A0A096NDU3_PAPAN Loading...

Myotilin

Component of a complex of multiple actin cross-linking proteins. Involved in the control of myofibril assembly and stability at the Z lines in muscle cells.

AlphaFold DB , UniProt , Accession A0A096NDU3, Species PAPAN (Papio anubis, Olive baboon), Gene MYOT, Length 498 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
1M43.2Very low33.1Very low233 Ų233184.6 Ų184.6100%1.14886%0.855SS**  0128.20-70.9175.1179.300108.1
2F29.3Very low33Very low194 Ų194183.3 Ų183.385%0.85185%0.849SS**  trans171.798.1135.5-96.1-64.7000106.6
3N31.5Very low32.8Very low146 Ų146177.1 Ų177.178%0.78184%0.839SS**  trans-70.2140.3170.2-69.8-12.5000108.4
4Y30.5Very low32.5Very low225 Ų225178.4 Ų178.488%0.88284%0.844SS**  trans-132.1114.4152.4-100.7-82.1000109.2
5E31.5Very low32.5Very low176 Ų176176.9 Ų176.982%0.82284%0.843SS**  trans-79.5159.5178.1-66.9179.3120.100111.3
6R36.7Very low33.4Very low225 Ų225172.4 Ų172.485%0.84983%0.833SS**  trans-69.4147.3171.5-67.7174.4174.4164.5-2111
7P34.3Very low33.1Very low130 Ų130170.2 Ų170.284%0.84484%0.838SS**  trans-98.7112146.120-3.4000110.3
8K34.2Very low33Very low175 Ų175165.2 Ų165.276%0.76184%0.838SS**  trans-116.4130.2142.8-78.2-170175.6-170.30105.5
9H33.4Very low32.9Very low191 Ų191162.7 Ų162.788%0.88484%0.837SS**  trans-172.9143.5140.9-99.3-64.9000110.7
10F27.4Very low32.7Very low194 Ų194166.5 Ų166.585%0.85184%0.84SS**  trans-138.5168.4157.6-144.1-91.7000107.4
11I32.2Very low32.8Very low142 Ų142166.5 Ų166.573%0.72884%0.842SS**  trans86.886.5-178.9-49-178.1000115.4
12Q31.8Very low32.4Very low168 Ų168164 Ų16479%0.78583%0.827SS**  47.9103.7123.2-72.8172.9-37.200121.3
13S30.7Very low33.9Very low103 Ų103160.1 Ų160.172%0.7282%0.821SS**  34.5115.9121.563.10000120.6
14Q28.4Very low34.5Very low195 Ų195159.1 Ų159.191%0.91182%0.823SS**  -135.4149128.8-75.5-153-4.400110.6
15N33Very low34.5Very low156 Ų156151.8 Ų151.883%0.83482%0.816SS**  trans-119.6164.9175.3-109.5-7.1000109.6
16P46.9Very low36Very low105 Ų105148.9 Ų148.968%0.68281%0.812SS**  trans-112.6175.2-133.941.4-38.8000116.8
17C28.3Very low35.6Very low136 Ų136146.7 Ų146.792%0.91981%0.812SS**  trans62.9116.4154-79.80000119.8
18G30.2Very low35.3Very low80 Ų80146 Ų14683%0.82581%0.805SS**  trans-153.1126.216100000110.3
19S31.7Very low35.1Very low118 Ų118142.5 Ų142.583%0.82580%0.803SS**  trans-88.9138.3-172.5510000114
20R29.8Very low34.9Very low238 Ų238137.9 Ų137.990%0.89879%0.792SS**  trans29114.7141.7-167.9-172.9-150.8-143.56.1118.2
21L33.3Very low34.9Very low167 Ų167137.8 Ų137.887%0.87479%0.791SS**  -166.8170.6126.1-102.2164.8000111.6
22Q35.9Very low34.6Very low179 Ų179135.8 Ų135.884%0.83679%0.79SS**  trans-86.4167.6-162.4-100.3177.3-31.500115.5
23P59.5Low34.5Very low113 Ų113133 Ų13373%0.73479%0.789SS**  trans-87.2173.9-171.538.9-38.3000113.1
24P45.5Very low34.5Very low126 Ų126136.9 Ų136.982%0.81880%0.796SS**  -149166.3103.639.8-25.5000116
25G30.8Very low34.4Very low71 Ų71132.4 Ų132.473%0.73278%0.782SS**  trans97.6138.5135.100000118.1
26P62.3Low34.3Very low114 Ų114133.9 Ų133.974%0.7478%0.781SS**  trans-95.8162174.637.2-30.3000112.1
27E29Very low33.3Very low180 Ų180137 Ų13784%0.84179%0.787SS**  178.5151.1115.4-99.1177.5-16500115.9
28T27.3Very low33.5Very low115 Ų115136.1 Ų136.171%0.70678%0.782SS**  trans-20.8171.7165.5570000123.6
29S30.6Very low33.3Very low102 Ų102136.9 Ų136.971%0.71378%0.775SS**  trans85.5121.1157.577.70000115.2
30S27.3Very low33.2Very low94 Ų94139.3 Ų139.366%0.65778%0.776SS**  cis104.3164.531.374.20000112.8
31F27.3Very low33.1Very low191 Ų191133.9 Ų133.984%0.83877%0.77SS**  trans78.5114.9-167.4-64.4-90.4000114.4
32S26.7Very low33Very low100 Ų100133.6 Ų133.670%0.69977%0.768SS**  cis100.4114.516.587.40000116.6
33S30.7Very low32.7Very low110 Ų110133.3 Ų133.377%0.76977%0.767SS**  trans-160119.3146.241.10000106.7
34Q30Very low31.9Very low184 Ų184133 Ų13386%0.8676%0.764SS**  62.9129.273.8-77.9-161.56.500113.6
35T27.1Very low31Very low102 Ų102137.8 Ų137.863%0.62677%0.766SS**  cis-162.5158-11.6-42.30000110.5
36K29.1Very low30.8Very low187 Ų187141.9 Ų141.981%0.81377%0.766SS**  trans102.5109.3155.5-61.3-179179.9178.40115.2
37Q27.9Very low28.9Very low171 Ų171141.6 Ų141.680%0.79977%0.765SS**  80.598.853.8-75.9-169-27.800116
38S31Very low29Very low116 Ų116139.6 Ų139.681%0.81177%0.766SS**  trans-157.985.7138.456.90000107.6
39S27.4Very low29Very low97 Ų97141.2 Ų141.268%0.67877%0.765SS**  64.294.579.2-56.50000113.4
40I29.6Very low28.9Very low168 Ų168146 Ų14686%0.86278%0.776SS**  trans-149.5132.2132.6-95.2151.2000106.5
41T27.4Very low29Very low125 Ų125150.4 Ų150.477%0.76778%0.779SS**  trans-122.1132.2179.8-62.60000108.3
42I29.6Very low29Very low160 Ų160151.6 Ų151.682%0.82178%0.784SS**  trans-132.6121.8157.9-58.5-177.4000107.7
43Q30.1Very low29Very low174 Ų174151.9 Ų151.981%0.81379%0.786SS**  trans-110.7163.6168.3-94.6-140.811.700109.8
44P42.8Very low28.9Very low105 Ų105151 Ų15168%0.68279%0.786SS**  trans-97.7159-15336.8-36.2000114.8
45R26.8Very low28.9Very low227 Ų227147.7 Ų147.786%0.85778%0.783SS**  trans-175.4127.2134.9-104.2167.6-169.8-157.22.7115.4
46Q26.8Very low29Very low158 Ų158147.4 Ų147.474%0.73879%0.785SS**  trans61.5124.4132.7-73.3-175.2-42.400125.4
47C23.4Very low29Very low107 Ų107144.7 Ų144.772%0.72378%0.784SS**  73.2116126.1-63.60000123.6
48T29.2Very low29.2Very low139 Ų139143.3 Ų143.385%0.85379%0.787SS**  -165.3104.4116.526.60000107.7
49E29Very low29Very low148 Ų148142.7 Ų142.769%0.69278%0.783SS**  46.9109.2100.3-76.1-148.4137.100117.2
50Q28.5Very low29.3Very low203 Ų203142.5 Ų142.595%0.94978%0.781SS**  -140.7132.9120.7-79-156-20.200110.3
51R29.3Very low29.4Very low186 Ų186142 Ų14270%0.70278%0.775SS**  trans-90.9160.9172.7-70.9175.4166.3135-6.1110
52F26.3Very low29.5Very low217 Ų217142.4 Ų142.495%0.95277%0.771SS**  -151.9145.4110.9-99.4-69.7000110.6
53S27Very low29.4Very low105 Ų105141 Ų14173%0.73477%0.77SS**  trans-126.5160.7-172.748.70000111.6
54A29.6Very low29.5Very low93 Ų93141.7 Ų141.777%0.76978%0.775SS**  trans-80.6-168.2-166.600000116
55S28.4Very low28.9Very low114 Ų114142.3 Ų142.380%0.79778%0.782SS**  trans94.1144.6173.376.40000116.2
56S29.8Very low29Very low96 Ų96136.9 Ų136.967%0.67178%0.779SS**  cis-171.8150.9-14.242.70000112.4
57T30Very low29.3Very low129 Ų129134.9 Ų134.979%0.79178%0.783SS**  trans52.7132.4152.146.60000122.3
58V30.4Very low29.6Very low143 Ų143134.3 Ų134.387%0.86779%0.785SS**  -173.2158.299.4154.40000110
59S27.7Very low29.8Very low103 Ų103137.7 Ų137.772%0.7279%0.789SS**  trans-82.5153.2-171.8-173.80000114.9
60S33.5Very low30.6Very low93 Ų93136.4 Ų136.465%0.6579%0.794SS**  157.6155.8110.660.50000117.2
61H31Very low30.7Very low157 Ų157131.4 Ų131.473%0.72779%0.787SS**  trans80.4108.9152.3-69.3-58.7000124.4
62I29.6Very low30.8Very low134 Ų134128 Ų12869%0.68779%0.791SS**  89.8122.5114.1-75.4175.7000122.9
63T29.3Very low31Very low129 Ų129123.5 Ų123.579%0.79178%0.782SS**  trans56.2138.6156.349.60000123.8
64M32.1Very low31.3Very low189 Ų189127.5 Ų127.593%0.93179%0.789SS**  trans-83.4150.8158.5-57.4-151.8128.900111.9
65S28.8Very low31.4Very low118 Ų118132 Ų13283%0.82579%0.794SS**  trans-153.9149158.846.20000113.9
66S29.6Very low32.5Very low113 Ų113132.3 Ų132.379%0.7979%0.794SS**  trans-47.4152.7-178.852.60000120.1
67S32.3Very low32.5Very low116 Ų116132.5 Ų132.581%0.81180%0.801SS**  trans-152.4119.4132.650.10000108.2
68A30.8Very low32.6Very low95 Ų95129.6 Ų129.679%0.78580%0.797SS**  87112.252.400000113.1
69F32Very low32.7Very low210 Ų210128.6 Ų128.692%0.92180%0.796SS**  trans-75.8158.4172.2-74.9-97.7000112
70P47.5Very low32.9Very low122 Ų122131 Ų13179%0.79280%0.801SS**  trans-94.8154.3152.936.1-29.6000112.1
71A29.9Very low33.6Very low98 Ų98132.7 Ų132.781%0.8181%0.81SS**  trans-144.7138.5175.100000111.7
72S31.2Very low33.6Very low113 Ų113127.9 Ų127.979%0.7980%0.802SS**  trans171.3145.7166.632.70000110.6
73T30.8Very low33.7Very low124 Ų124130 Ų13076%0.76181%0.809SS**  cis-161.7161.4-23.6-48.30000108.6
74Q32.4Very low33.9Very low189 Ų189133.3 Ų133.388%0.88381%0.807SS**  trans101.6148.5156.7-57.9-164.4-5.700120.5
75Q32.4Very low33.8Very low186 Ų186130 Ų13087%0.86980%0.797SS**  trans-116.1-169.4-157.8-72.1-173.8-40.600110.8
76P51.3Low33.8Very low122 Ų122130.2 Ų130.279%0.79279%0.794SS**  cis-129.6-161.2146.3-28.4000112.8
77A30.4Very low33.7Very low100 Ų100130.6 Ų130.683%0.82679%0.792SS**  cis-154.6177.14.200000111.2
78G30.8Very low33.5Very low68 Ų68132.1 Ų132.170%0.70180%0.796SS**  trans129.998.5150.600000119.3
79S33.5Very low33.4Very low122 Ų122137.8 Ų137.885%0.85380%0.799SS**  trans45.2112.314755.10000123
80N31.1Very low33.3Very low154 Ų154133.8 Ų133.882%0.82479%0.787SS**  trans-72.9175.7145.9-104.7-32.8000110.8
81P49.4Very low32.5Very low128 Ų128136.5 Ų136.583%0.83179%0.789SS**  cis-134.5-176.225.340.6-21000114.9
82G30.1Very low32.5Very low55 Ų55137 Ų13757%0.56779%0.787SS**  cis-158.21571.100000111.7
83Q33Very low33.2Very low178 Ų178137.3 Ų137.383%0.83279%0.786SS**  71.1136.2106-77.7-150.823.100116.1
84R32.3Very low33.1Very low199 Ų199135.8 Ų135.875%0.75179%0.786SS**  cis-165.4125.2-8.1-168.1154.7-175.1-157.5-0.9106.3
85V29.7Very low33Very low119 Ų119131.6 Ų131.672%0.72178%0.778SS**  53.8132.9105-172.70000112.7
86T28.6Very low32.9Very low123 Ų123132.4 Ų132.476%0.75578%0.779SS**  cis-158.6158.939-18.80000113.1
87T28.3Very low31.7Very low122 Ų122134.8 Ų134.875%0.74878%0.784SS**  trans-58.1151154.646.70000114.5
88T28.2Very low31.7Very low147 Ų147135.1 Ų135.190%0.90278%0.78SS**  trans-148.6168.1136.3-14.80000112.4
89Y28.6Very low31.6Very low214 Ų214136.9 Ų136.984%0.83978%0.782SS**  trans-81.4165.8-163.4-107.5-113.2000116.7
90N30.4Very low31.5Very low127 Ų127138.5 Ų138.568%0.67978%0.779SS**  trans96.3130.3138.7-97.5-11.5000122.8
91Q30.2Very low31.3Very low178 Ų178138.8 Ų138.883%0.83278%0.78SS**  trans78150.4149.9-64.6179.319.300120.7
92S30.4Very low30.7Very low110 Ų110138.4 Ų138.477%0.76978%0.777SS**  trans-147.9167.9-18064.40000107.3
93P45Very low30.8Very low118 Ų118141.3 Ų141.377%0.76679%0.789SS**  cis-134.9-169.58.542-24.2000115.1
94A28.7Very low30.6Very low92 Ų92141.3 Ų141.376%0.7679%0.789SS**  trans77.5108.1163.900000118.5
95S29.9Very low31.4Very low102 Ų102137.4 Ų137.471%0.71379%0.789SS**  178160.8102.850.20000114
96F30.4Very low31.4Very low203 Ų203139.7 Ų139.789%0.8980%0.798SS**  trans75.7145.6165.1-66.7-71.8000122.4
97L27.5Very low31.5Very low172 Ų172144.6 Ų144.690%0.90180%0.804SS**  trans-115148.6-169-72.5157000110.7
98S28.7Very low31.6Very low106 Ų106146.6 Ų146.674%0.74181%0.81SS**  trans-158.8105.714852.40000107.7
99S30.1Very low31.7Very low106 Ų106144.5 Ų144.574%0.74180%0.801SS**  69.2140.3103.7690000113.8
100I31.3Very low31.8Very low155 Ų155139.3 Ų139.380%0.79580%0.796SS**  cis-147.7146.137.8-67.3164.7000110.6
101L27.4Very low31.9Very low161 Ų161143.2 Ų143.284%0.84381%0.807SS**  trans-147.8132.5163.3-117.8170000109
102P35.9Very low32.1Very low119 Ų119142.1 Ų142.177%0.77381%0.806SS**PPolyproline II helixtrans-82.8158.3178.8-14.731.6000115.1
103S31.4Very low32.6Very low116 Ų116142.6 Ų142.681%0.81181%0.806SS**PPolyproline II helixtrans-97.6160.8-162.6-33.70000115.7
104Q30.5Very low31.9Very low179 Ų179142.2 Ų142.284%0.83681%0.806SS**PPolyproline II helixtrans-83.6158.3157.1-68.5-86.3-5800110.5
105P48.2Very low32Very low117 Ų117142.5 Ų142.576%0.7681%0.809SS**PPolyproline II helixtrans-96.1138.1168.835.1-29.5000112.6
106D29Very low32.1Very low167 Ų167147 Ų14789%0.89382%0.82SS**PPolyproline II helixtrans-92.4157.1178.7-90.2-50.8000114.3
107Y31.2Very low32Very low225 Ų225144.6 Ų144.688%0.88282%0.817SS**PPolyproline II helixtrans-73139.9170.5-127.8-103000111.2
108N29.9Very low32.2Very low165 Ų165142.2 Ų142.288%0.88282%0.815SS**  trans-158.1155.4148.4-127.8-31.6000114.2
109S30.9Very low32.2Very low103 Ų103144.2 Ų144.272%0.7282%0.817SS**  trans-121.1145.5-175.982.50000112.4
110S31Very low32.3Very low105 Ų105150.2 Ų150.273%0.73483%0.825SS**  trans-172.5130.6142.457.50000114.9
111K32.7Very low32.4Very low208 Ų208150.1 Ų150.190%0.90482%0.821SS**  trans66.8138.4145.3-67.9179.2175.5178.60121.7
112I34.1Very low32.6Very low156 Ų156148.9 Ų148.980%0.881%0.811SS**  trans-96.9163.4171.5-22.4177.4000108.7
113P41Very low32.3Very low120 Ų120153 Ų15378%0.77982%0.818SS**  -149151.384.136.8-17.5000118.2
114S29.5Very low32.4Very low110 Ų110151.9 Ų151.977%0.76981%0.809SS**  trans34.9124144.4-56.10000125.2
115A32.2Very low32.4Very low98 Ų98148.5 Ų148.581%0.8181%0.812SS**  58.5125.9123.300000122.9
116M31Very low31.5Very low195 Ų195147 Ų14796%0.96182%0.818SS**  trans-157.3145.6131.2-107.4-168.3-179.700111.7
117D27.6Very low31.5Very low154 Ų154147.8 Ų147.882%0.82482%0.816SS**  trans-77.1159.2174.4-63-68.5000112.9
118S32Very low32.8Very low122 Ų122141.6 Ų141.685%0.85380%0.803SS**  -175.9144.1123.9-82.80000113.7
119N29.5Very low32.9Very low147 Ų147140.5 Ų140.579%0.78680%0.802SS**  trans-79.1160.9-175.1-65.7-72.4000114.2
120Y31.6Very low32.9Very low232 Ų232142.8 Ų142.891%0.9181%0.806SS**  trans-140.2138130.7-118.4-83.8000112.5
121Q33.7Very low32.8Very low153 Ų153142.2 Ų142.272%0.71581%0.808SS**  trans-69.8174.5179-78.9174.2-67.500112.9
122Q31.8Very low32.7Very low135 Ų135141.5 Ų141.563%0.63181%0.805SS**  cis165.8144-18.4176.9178.8-0.300105.1
123F29.4Very low33.1Very low207 Ų207140 Ų14091%0.90881%0.805SS**  trans-171.7101.2145.6-101.7-62.3000114.4
124S32.6Very low32.6Very low91 Ų91138.1 Ų138.164%0.63680%0.795SS**  trans37.3124.7134.8-58.90000125.8
125A32.5Very low32.7Very low109 Ų109141.1 Ų141.190%0.90180%0.797SS**  99132.3116.200000121.9
126G29Very low32.5Very low85 Ų85142.4 Ų142.488%0.87680%0.795SS**  trans150.689170.200000114.2
127Q27.8Very low32.5Very low184 Ų184137.2 Ų137.286%0.8678%0.783SS**  trans-123.2-177.5176.3-104.6-155.2600109.2
128P59.2Low32.7Very low94 Ų94137.9 Ų137.961%0.6179%0.787SS**  -138.4179.4-5440.9-24.8000112.1
129V31.2Very low32.7Very low142 Ų142137 Ų13786%0.86179%0.786SS**  trans-146.4117.8148.7-158.50000114.2
130N31.2Very low33Very low151 Ų151140 Ų14081%0.80779%0.792SS**  trans-12.2160.9146-77.5-23.9000120.9
131A29Very low33.1Very low93 Ų93134.2 Ų134.277%0.76978%0.783SS**  cis-163.6168.40.400000115.4
132K31.2Very low33Very low194 Ų194132.7 Ų132.784%0.84378%0.784SS**  trans-60.4169.6163.9-90.5173.6-179.5175.20113.6
133P42.2Very low33.2Very low123 Ų123132.2 Ų132.280%0.79979%0.793SS**  -147.4-161.451.333-7.4000116.3
134S29.6Very low33.4Very low81 Ų81133.9 Ų133.957%0.56679%0.793SS**  -178.3145.4-63.871.10000111.1
135Q32.8Very low33.8Very low174 Ų174134.7 Ų134.781%0.81380%0.795SS**  trans71.3155.2164.3-53.5177.273.300115.8
136T28.9Very low34.1Very low125 Ų125134.7 Ų134.777%0.76779%0.786SS**  cis-158.7157.68.7-13.60000113.3
137A30.7Very low34.7Very low86 Ų86135.7 Ų135.771%0.71177%0.771SS**  trans70.2123.7142.800000125
138N32Very low35.6Very low168 Ų168135.1 Ų135.190%0.89877%0.768SS**  trans48.8110.7138.4-73.6-9.3000123.4
139A30.4Very low34.6Very low102 Ų102139.4 Ų139.484%0.84378%0.78SS**  -160.7143127.800000111.4
140K36.7Very low35.3Very low211 Ų211138.9 Ų138.992%0.91777%0.771SS**  trans-100.8128.9174.1-178.4-176.3-175.9-179.40109.8
141P33Very low35.8Very low111 Ų111136.6 Ų136.672%0.72176%0.755SS**  trans-138.1165.1144.831.2-13.6000115.3
142T32.8Very low36.6Very low120 Ų120134.2 Ų134.274%0.73674%0.74SS**  trans-38.3156.6178.8360000119.5
143P35.6Very low37.9Very low126 Ų126129.2 Ų129.282%0.81873%0.729SS**  trans-70142.3174.631.4-35.2000111.9
144R34.1Very low38.4Very low241 Ų241130 Ų13091%0.90972%0.72SS**  trans-111.6151.2166.8-63.5-171.2-172.1-153.72.9109.9
145T39.8Very low40Very low109 Ų109130.4 Ų130.467%0.66971%0.713SS**  trans-76.4153.5-175.6460000113D147T145-D147 VanDerWaalsContact C-N 3.32Å; T145-D147 PolarHBondContact O-N 3.23Å
146P39.9Very low41.4Very low108 Ų108124.9 Ų124.970%0.70170%0.698SS**SBendtrans-88.626-17137.8-37.8000115
147D41Very low43Very low107 Ų107124 Ų12457%0.57269%0.688SS**  trans-91.2-9.5-166.3-62.8-54.3000115.5T145T145-D147 VanDerWaalsContact C-N 3.32Å; T145-D147 PolarHBondContact O-N 3.23Å
148H45.8Very low44.9Very low172 Ų172123.5 Ų123.580%0.79667%0.672SS**SBendtrans-95.7-11.8-173.2-89.2-68.6000116.4
149E39.3Very low46.3Very low183 Ų183121 Ų12186%0.85566%0.655SS**THydrogen-bonded Turntrans-86.6-26.8-177.4-138.4170.6-163.500112.9
150I44.3Very low47.8Very low132 Ų132118.5 Ų118.568%0.67763%0.628SS**THydrogen-bonded Turntrans-80.7-26.8-178.5-59.6175.7000111.7S153 K154I150-S153 PolarHBondContact O-N 3.08Å; I150-K154 PolarHBondContact O-N 3.11Å
151Q42.3Very low48.7Very low102 Ų102113 Ų11348%0.47761%0.608SS.*Hα-helixtrans-61.9-49-174.7-168.998.44.300112.1S153 K154 E155Q151-S153 VanDerWaalsContact C-N 3.26Å; Q151-S153 PolarHBondContact O-N 3.38Å; Q151-K154 WeakPolarHBondContact O-CB 3.35Å; Q151-K154 PolarHBondContact O-N 3.15Å; Q151-E155 VanDerWaalsContact CG-CD 3.46Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.49Å; Q151-E155 WeakPolarHBondContact CG-OE2 3.43Å; Q151-E155 PolarHBondContact NE2-OE1 3.18Å; Q151-E155 PolarHBondContact O-N 3.36Å; Q151-E155 VanDerWaalsContact O-N 3.08Å
152G46.8Very low50Low43 Ų43113.3 Ų113.344%0.44360%0.6SS.*Hα-helixtrans-63.3-27-178.600000114.5A156G152-A156 VanDerWaalsContact O-CB 3.26Å; G152-A156 WeakPolarHBondContact O-CB 3.46Å; G152-A156 PolarHBondContact O-N 3.26Å
153S57.2Low51.2Low90 Ų90114.4 Ų114.463%0.62959%0.59SS**Hα-helixtrans-67.2-42.4173.5176.90000111.8I150 Q151 L157I150-S153 PolarHBondContact O-N 3.08Å; Q151-S153 VanDerWaalsContact C-N 3.26Å; Q151-S153 PolarHBondContact O-N 3.38Å; S153-L157 PolarHBondContact O-N 3.41Å
154K54.3Low52.1Low139 Ų139114.5 Ų114.560%0.60458%0.578SS**Hα-helixtrans-68.8-41.4178.6-173.1-177.5177.8-173.20111.6I150 Q151 L157 I158I150-K154 PolarHBondContact O-N 3.11Å; Q151-K154 WeakPolarHBondContact O-CB 3.35Å; Q151-K154 PolarHBondContact O-N 3.15Å; K154-L157 PolarHBondContact O-N 3.25Å; K154-I158 HydrophobicContact CG-CD1 4.17Å; K154-I158 VanDerWaalsContact O-CG1 3.32Å; K154-I158 WeakPolarHBondContact O-CG1 3.26Å; K154-I158 PolarHBondContact O-N 3.34Å
155E61.8Low52.7Low89 Ų89108 Ų10842%0.41656%0.561SS.*Hα-helixtrans-71.3-36.9-179.3-73.4152.4174.100112.1Q151 L157 I158 Q159Q151-E155 VanDerWaalsContact CG-CD 3.46Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.49Å; Q151-E155 WeakPolarHBondContact CG-OE2 3.43Å; Q151-E155 PolarHBondContact NE2-OE1 3.18Å; Q151-E155 PolarHBondContact O-N 3.36Å; Q151-E155 VanDerWaalsContact O-N 3.08Å; E155-L157 VanDerWaalsContact C-N 3.35Å; E155-L157 PolarHBondContact O-N 2.97Å; E155-I158 PolarHBondContact O-N 3.05Å; E155-Q159 PolarHBondContact O-N 2.79Å
156A62.3Low52.8Low59 Ų59110.3 Ų110.349%0.48856%0.561SS.*Hα-helixtrans-63.1-38.6170.900000112.7G152 D160G152-A156 VanDerWaalsContact O-CB 3.26Å; G152-A156 WeakPolarHBondContact O-CB 3.46Å; G152-A156 PolarHBondContact O-N 3.26Å; A156-D160 PolarHBondContact O-N 3.35Å
157L62Low52.8Low107 Ų107109 Ų10956%0.5655%0.553SS**Hα-helixtrans-68.9-38.6177.3-171.867.5000112.2S153 K154 E155 D160 L161S153-L157 PolarHBondContact O-N 3.41Å; K154-L157 PolarHBondContact O-N 3.25Å; E155-L157 VanDerWaalsContact C-N 3.35Å; E155-L157 PolarHBondContact O-N 2.97Å; L157-D160 PolarHBondContact O-N 3.07Å; L157-L161 HydrophobicContact CG-CD1 4.41Å; L157-L161 WeakPolarHBondContact O-CG 3.36Å; L157-L161 PolarHBondContact O-N 2.95Å
158I70.6Confident52.7Low74 Ų74110.9 Ų110.938%0.37956%0.557SS.*Hα-helixtrans-64-46.9174.5-69.3164.6000110.2K154 E155 D160 L161 E162K154-I158 HydrophobicContact CG-CD1 4.17Å; K154-I158 VanDerWaalsContact O-CG1 3.32Å; K154-I158 WeakPolarHBondContact O-CG1 3.26Å; K154-I158 PolarHBondContact O-N 3.34Å; E155-I158 PolarHBondContact O-N 3.05Å; I158-D160 VanDerWaalsContact C-N 3.31Å; I158-D160 PolarHBondContact O-N 3.32Å; I158-L161 PolarHBondContact O-N 3.35Å; I158-E162 HydrophobicContact CG2-CG 4.37Å; I158-E162 WeakPolarHBondContact O-CB 3.36Å; I158-E162 WeakPolarHBondContact O-CG 3.34Å; I158-E162 PolarHBondContact O-N 2.8Å
159Q61.9Low52.3Low115 Ų115107.5 Ų107.554%0.53754%0.544SS..Hα-helixtrans-62-35.3176.3-75.9-171.3400113.4E155 R163E155-Q159 PolarHBondContact O-N 2.79Å; Q159-R163 VanDerWaalsContact O-CB 3.23Å; Q159-R163 WeakPolarHBondContact O-CB 3.49Å; Q159-R163 PolarHBondContact O-N 2.91Å
160D62.8Low52.1Low51 Ų51103.6 Ų103.627%0.27353%0.533SS..Hα-helixtrans-70.9-37.1175.9-171.260.1000112.5A156 L157 I158 R163 K164A156-D160 PolarHBondContact O-N 3.35Å; L157-D160 PolarHBondContact O-N 3.07Å; I158-D160 VanDerWaalsContact C-N 3.31Å; I158-D160 PolarHBondContact O-N 3.32Å; D160-R163 PolarHBondContact O-N 3.21Å; D160-R163 IonicContact OD1-NH1 3.29Å; D160-R163 PolarHBondContact OD1-NH1 3.43Å; D160-K164 WeakPolarHBondContact O-CB 3.45Å; D160-K164 WeakPolarHBondContact O-CG 3.41Å; D160-K164 PolarHBondContact O-N 2.79Å; D160-K164 IonicContact OD1-NZ 2.98Å; D160-K164 VanDerWaalsContact OD2-CE 3.24Å; D160-K164 WeakPolarHBondContact OD2-CE 3.3Å; D160-K164 IonicContact OD2-NZ 3.17Å; D160-K164 PolarHBondContact OD2-NZ 2.74Å
161L54.9Low51.9Low95 Ų95104.3 Ų104.350%0.49754%0.538SS..Hα-helixtrans-65.5-44.4172.3-76.7167.4000112.1L157 I158 R163 K164 L165L157-L161 HydrophobicContact CG-CD1 4.41Å; L157-L161 WeakPolarHBondContact O-CG 3.36Å; L157-L161 PolarHBondContact O-N 2.95Å; I158-L161 PolarHBondContact O-N 3.35Å; L161-R163 PolarHBondContact O-N 3.48Å; L161-K164 PolarHBondContact O-N 3.15Å; L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 WeakPolarHBondContact O-CG 3.36Å; L161-L165 PolarHBondContact O-N 2.74Å
162E59.9Low51.8Low118 Ų118105.4 Ų105.455%0.55155%0.546SS*.Hα-helixtrans-62-42174.7-73.2175.9171.600111.5I158 K164 L165 K166I158-E162 HydrophobicContact CG2-CG 4.37Å; I158-E162 WeakPolarHBondContact O-CB 3.36Å; I158-E162 WeakPolarHBondContact O-CG 3.34Å; I158-E162 PolarHBondContact O-N 2.8Å; E162-K164 PolarHBondContact O-N 3.4Å; E162-L165 PolarHBondContact O-N 3.11Å; E162-K166 VanDerWaalsContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CB 3.44Å; E162-K166 PolarHBondContact O-N 2.94Å
163R57.6Low51.5Low142 Ų142111.4 Ų111.454%0.53656%0.562SS.*Hα-helixtrans-63.4-40.8175.8-159.1-174.9-57.4124.3-1.6111.5Q159 D160 L161 C167Q159-R163 VanDerWaalsContact O-CB 3.23Å; Q159-R163 WeakPolarHBondContact O-CB 3.49Å; Q159-R163 PolarHBondContact O-N 2.91Å; D160-R163 PolarHBondContact O-N 3.21Å; D160-R163 IonicContact OD1-NH1 3.29Å; D160-R163 PolarHBondContact OD1-NH1 3.43Å; L161-R163 PolarHBondContact O-N 3.48Å; R163-C167 PolarHBondContact O-N 2.8Å; R163-C167 VanDerWaalsContact O-N 3.12Å; R163-C167 PolarHBondContact O-SG 3.17Å
164K55.3Low50.7Low129 Ų129113.8 Ų113.856%0.56157%0.568SS**Hα-helixtrans-70.6-33.8176.6-77.6167.8176.4165.30113.5D160 L161 E162 K168D160-K164 WeakPolarHBondContact O-CB 3.45Å; D160-K164 WeakPolarHBondContact O-CG 3.41Å; D160-K164 PolarHBondContact O-N 2.79Å; D160-K164 IonicContact OD1-NZ 2.98Å; D160-K164 VanDerWaalsContact OD2-CE 3.24Å; D160-K164 WeakPolarHBondContact OD2-CE 3.3Å; D160-K164 IonicContact OD2-NZ 3.17Å; D160-K164 PolarHBondContact OD2-NZ 2.74Å; L161-K164 PolarHBondContact O-N 3.15Å; E162-K164 PolarHBondContact O-N 3.4Å; K164-K168 PolarHBondContact O-N 3.06Å
165L47.5Very low50.5Low105 Ų105111.2 Ų111.255%0.5558%0.581SS.*Hα-helixtrans-70-43.8172.7-74.9165.4000111.2L161 E162 C167 K168 D169L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 WeakPolarHBondContact O-CG 3.36Å; L161-L165 PolarHBondContact O-N 2.74Å; E162-L165 PolarHBondContact O-N 3.11Å; L165-C167 VanDerWaalsContact C-N 3.3Å; L165-C167 PolarHBondContact O-N 3.16Å; L165-K168 WeakPolarHBondContact O-CA 3.37Å; L165-K168 VanDerWaalsContact O-CB 3.23Å; L165-K168 WeakPolarHBondContact O-CB 3.48Å; L165-K168 PolarHBondContact O-N 3.3Å; L165-D169 PolarHBondContact O-N 2.95Å; L165-D169 VanDerWaalsContact O-N 3.15Å
166K40.5Very low49.5Very low157 Ų157112.8 Ų112.868%0.68359%0.592SS**Hα-helixtrans-63.9-33.5178.9-153.1166-169.3171.90112.9E162 K168 T170E162-K166 VanDerWaalsContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CB 3.44Å; E162-K166 PolarHBondContact O-N 2.94Å; K166-K168 VanDerWaalsContact C-N 3.26Å; K166-K168 PolarHBondContact O-N 3.04Å; K166-T170 PolarHBondContact O-N 3.09Å; K166-T170 PolarHBondContact O-OG1 2.82Å
167C40.2Very low48.9Very low79 Ų79118.5 Ų118.553%0.53461%0.609SS.*Hα-helixtrans-71.7-14.7170.1-69.50000114.4R163 L165 T170R163-C167 PolarHBondContact O-N 2.8Å; R163-C167 VanDerWaalsContact O-N 3.12Å; R163-C167 PolarHBondContact O-SG 3.17Å; L165-C167 VanDerWaalsContact C-N 3.3Å; L165-C167 PolarHBondContact O-N 3.16Å; C167-T170 PolarHBondContact O-OG1 3.13Å
168K39.9Very low48.1Very low148 Ų148124.8 Ų124.864%0.64363%0.625SS**Hα-helixtrans-86.2-34.2175.1-160.7176.8-178.1-178.50111.3K164 L165 K166K164-K168 PolarHBondContact O-N 3.06Å; L165-K168 WeakPolarHBondContact O-CA 3.37Å; L165-K168 VanDerWaalsContact O-CB 3.23Å; L165-K168 WeakPolarHBondContact O-CB 3.48Å; L165-K168 PolarHBondContact O-N 3.3Å; K166-K168 VanDerWaalsContact C-N 3.26Å; K166-K168 PolarHBondContact O-N 3.04Å
169D37Very low47.3Very low101 Ų101122.9 Ų122.954%0.5462%0.615SS.*Hα-helixtrans-79.1-29177.9-66.3-28.8000113.3L165 L171 L172L165-D169 PolarHBondContact O-N 2.95Å; L165-D169 VanDerWaalsContact O-N 3.15Å; D169-L171 PolarHBondContact O-N 2.83Å; D169-L172 WeakPolarHBondContact O-CB 3.47Å; D169-L172 PolarHBondContact O-N 2.75Å
170T34Very low47.6Very low100 Ų100120.8 Ų120.861%0.61361%0.611SS**G310 helixtrans-67.6-20.3173.648.20000113.7K166 C167 L172K166-T170 PolarHBondContact O-N 3.09Å; K166-T170 PolarHBondContact O-OG1 2.82Å; C167-T170 PolarHBondContact O-OG1 3.13Å; T170-L172 VanDerWaalsContact C-N 3.25Å; T170-L172 PolarHBondContact O-N 3.06Å
171L40.3Very low47.3Very low148 Ų148126.9 Ų126.978%0.77563%0.631SS**G310 helixtrans-79.5-3.7170-70.8174.3000113.6D169D169-L171 PolarHBondContact O-N 2.83Å
172L41.5Very low47.6Very low125 Ų125128.9 Ų128.965%0.65464%0.638SS**G310 helixtrans-102.34.4178-62.1176000113.5D169 T170D169-L172 WeakPolarHBondContact O-CB 3.47Å; D169-L172 PolarHBondContact O-N 2.75Å; T170-L172 VanDerWaalsContact C-N 3.25Å; T170-L172 PolarHBondContact O-N 3.06Å
173H40.5Very low47.7Very low169 Ų169125.2 Ų125.278%0.78262%0.621SS**  trans-110.936.5-176.6-109.868.4000115.1
174N39.7Very low48.1Very low139 Ų139123.9 Ų123.974%0.74362%0.619SS**SBendtrans-133.7120.1151.1-101.4-29.7000108.7N176N174-N176 PolarHBondContact O-N 2.72Å; N174-N176 VanDerWaalsContact O-N 3.17Å; N174-N176 PolarHBondContact O-ND2 3.02Å; N174-N176 VanDerWaalsContact O-ND2 3.16Å
175G49.8Very low48.3Very low85 Ų85121.9 Ų121.988%0.87661%0.612SS**  trans-54.8116.5-163.500000113
176N41.8Very low49Very low122 Ų122117.6 Ų117.665%0.65259%0.592SS**  trans-131.9122.9172.3-83.9-73.2000109.5N174N174-N176 PolarHBondContact O-N 2.72Å; N174-N176 VanDerWaalsContact O-N 3.17Å; N174-N176 PolarHBondContact O-ND2 3.02Å; N174-N176 VanDerWaalsContact O-ND2 3.16Å
177Q48.3Very low50.3Low179 Ų179114.7 Ų114.784%0.83658%0.577SS**  trans-54.5141.8156.6-67.1174.4-8.700108.2L179Q177-L179 VanDerWaalsContact C-N 3.31Å; Q177-L179 PolarHBondContact O-N 3.49Å
178R45.9Very low51Low240 Ų240122 Ų12291%0.90659%0.593SS**  trans-72.985.8-173.2-173.2-179.1-177178.40109.9T180R178-T180 PolarHBondContact O-N 2.82Å
179L55Low51.7Low33 Ų33121.5 Ų121.517%0.17360%0.597CS.*  trans-44.1130.4-179.1-62.2172000111.3Q177 E183 K184Q177-L179 VanDerWaalsContact C-N 3.31Å; Q177-L179 PolarHBondContact O-N 3.49Å; L179-E183 WeakPolarHBondContact CA-OE2 3.5Å; L179-E183 HydrophobicContact CB-CB 4.23Å; L179-E183 HydrophobicContact CD2-CB 4.25Å; L179-E183 VanDerWaalsContact CD2-OE1 3.26Å; L179-E183 WeakPolarHBondContact CD2-OE1 3.41Å; L179-K184 HydrophobicContact CB-CG 4.04Å; L179-K184 VanDerWaalsContact O-CE 3.26Å; L179-K184 WeakPolarHBondContact O-CE 3.45Å; L179-K184 PolarHBondContact O-NZ 2.85Å
180T66.4Low53Low72 Ų72120.8 Ų120.844%0.44259%0.593SS.*  trans-60.6166.7176.159.30000111.2R178 E182 E183 K184R178-T180 PolarHBondContact O-N 2.82Å; T180-E182 PolarHBondContact O-N 3.47Å; T180-E183 WeakPolarHBondContact CB-OE2 3.45Å; T180-E183 PolarHBondContact N-OE2 2.98Å; T180-E183 WeakPolarHBondContact OG1-CB 3.32Å; T180-E183 VanDerWaalsContact OG1-CG 3.27Å; T180-E183 WeakPolarHBondContact OG1-CG 3.46Å; T180-E183 PolarHBondContact OG1-N 2.95Å; T180-E183 VanDerWaalsContact OG1-N 3.16Å; T180-E183 PolarHBondContact OG1-OE2 2.84Å; T180-K184 WeakPolarHBondContact O-CG 3.44Å; T180-K184 PolarHBondContact O-N 3.18Å
181Y57.5Low54.3Low178 Ų178117.2 Ų117.270%0.69858%0.576SS**Hα-helixtrans-60.4-40.3174.6-178.9-96000111K184 M185Y181-K184 PolarHBondContact O-N 2.81Å; Y181-M185 HydrophobicContact CE1-SD 3.96Å; Y181-M185 PolarHBondContact O-N 3.35Å
182E61.5Low55.2Low137 Ų137114.4 Ų114.464%0.6457%0.566SS**Hα-helixtrans-66-46.5-179.9-60.3-177.717600112.1T180 K184 M185 A186 F199T180-E182 PolarHBondContact O-N 3.47Å; E182-K184 VanDerWaalsContact C-N 3.31Å; E182-K184 PolarHBondContact O-N 2.83Å; E182-M185 PolarHBondContact O-N 2.82Å; E182-M185 VanDerWaalsContact O-N 3.14Å; E182-A186 WeakPolarHBondContact O-CB 3.17Å; E182-A186 PolarHBondContact O-N 2.87Å; E182-F199 HydrophobicContact CB-CZ 4.24Å
183E61.6Low56.1Low42 Ų42116.3 Ų116.320%0.19657%0.572CS.*Hα-helixtrans-60-39.2174.6-76.2171102.600113L179 T180 M185 R187 F199L179-E183 WeakPolarHBondContact CA-OE2 3.5Å; L179-E183 HydrophobicContact CB-CB 4.23Å; L179-E183 HydrophobicContact CD2-CB 4.25Å; L179-E183 VanDerWaalsContact CD2-OE1 3.26Å; L179-E183 WeakPolarHBondContact CD2-OE1 3.41Å; T180-E183 WeakPolarHBondContact CB-OE2 3.45Å; T180-E183 PolarHBondContact N-OE2 2.98Å; T180-E183 WeakPolarHBondContact OG1-CB 3.32Å; T180-E183 VanDerWaalsContact OG1-CG 3.27Å; T180-E183 WeakPolarHBondContact OG1-CG 3.46Å; T180-E183 PolarHBondContact OG1-N 2.95Å; T180-E183 VanDerWaalsContact OG1-N 3.16Å; T180-E183 PolarHBondContact OG1-OE2 2.84Å; E183-M185 VanDerWaalsContact C-N 3.32Å; E183-R187 WeakPolarHBondContact O-CB 3.3Å; E183-R187 VanDerWaalsContact O-CG 3.31Å; E183-R187 WeakPolarHBondContact O-CG 3.33Å; E183-R187 PolarHBondContact O-N 2.98Å; E183-F199 HydrophobicContact CB-CE2 4.22Å; E183-F199 HydrophobicContact CG-CD1 4.22Å; E183-F199 HydrophobicContact CG-CD2 3.74Å; E183-F199 HydrophobicContact CG-CE1 4.13Å; E183-F199 HydrophobicContact CG-CE2 3.67Å; E183-F199 HydrophobicContact CG-CG 4.04Å; E183-F199 HydrophobicContact CG-CZ 3.86Å
184K65.4Low57.3Low114 Ų114113.1 Ų113.150%0.49656%0.56SS.*Hα-helixtrans-65.5-37.5176.4-75166.9175.9143.60111.8L179 T180 Y181 E182 R188L179-K184 HydrophobicContact CB-CG 4.04Å; L179-K184 VanDerWaalsContact O-CE 3.26Å; L179-K184 WeakPolarHBondContact O-CE 3.45Å; L179-K184 PolarHBondContact O-NZ 2.85Å; T180-K184 WeakPolarHBondContact O-CG 3.44Å; T180-K184 PolarHBondContact O-N 3.18Å; Y181-K184 PolarHBondContact O-N 2.81Å; E182-K184 VanDerWaalsContact C-N 3.31Å; E182-K184 PolarHBondContact O-N 2.83Å; K184-R188 PolarHBondContact O-N 3.4Å
185M60.6Low58.5Low86 Ų86106.6 Ų106.642%0.42453%0.526SS..Hα-helixtrans-71.9-45.3178.1-155.8169.8-171.800110.8Y181 E182 E183 R187 R188 L189Y181-M185 HydrophobicContact CE1-SD 3.96Å; Y181-M185 PolarHBondContact O-N 3.35Å; E182-M185 PolarHBondContact O-N 2.82Å; E182-M185 VanDerWaalsContact O-N 3.14Å; E183-M185 VanDerWaalsContact C-N 3.32Å; M185-R187 PolarHBondContact O-N 2.91Å; M185-R188 WeakPolarHBondContact O-CB 3.12Å; M185-R188 PolarHBondContact O-N 2.76Å; M185-R188 VanDerWaalsContact O-N 3.13Å; M185-L189 HydrophobicContact CG-CD1 4.34Å; M185-L189 WeakPolarHBondContact O-CG 3.44Å; M185-L189 PolarHBondContact O-N 2.95Å; M185-L189 VanDerWaalsContact O-N 3.16Å
186A61.1Low59.3Low15 Ų15104.1 Ų104.112%0.12450%0.497CS..Hα-helixtrans-59.9-46.6176.800000112.7E182 R188 L189 L190 A195 F199E182-A186 WeakPolarHBondContact O-CB 3.17Å; E182-A186 PolarHBondContact O-N 2.87Å; A186-R188 PolarHBondContact O-N 3.28Å; A186-R188 VanDerWaalsContact O-N 3.16Å; A186-L189 PolarHBondContact O-N 2.75Å; A186-L190 PolarHBondContact O-N 3.23Å; A186-A195 HydrophobicContact CB-CB 4.03Å; A186-F199 HydrophobicContact CB-CE2 3.78Å; A186-F199 HydrophobicContact CB-CZ 4.45Å
187R68.4Low60.5Low97 Ų97100.9 Ų100.937%0.36649%0.488SS..Hα-helixtrans-59.8-26176.5-75.5-178.6-178.9-152.72.1113.3E183 M185 G191 A195E183-R187 WeakPolarHBondContact O-CB 3.3Å; E183-R187 VanDerWaalsContact O-CG 3.31Å; E183-R187 WeakPolarHBondContact O-CG 3.33Å; E183-R187 PolarHBondContact O-N 2.98Å; M185-R187 PolarHBondContact O-N 2.91Å; R187-G191 CarbonylContact O-C 3.48Å; R187-G191 VanDerWaalsContact O-CA 3.29Å; R187-G191 WeakPolarHBondContact O-CA 3.1Å; R187-G191 PolarHBondContact O-N 2.92Å; R187-A195 HydrophobicContact CB-CB 4.16Å; R187-A195 HydrophobicContact CG-CB 3.56Å
188R55.9Low61.2Low231 Ų23195.8 Ų95.887%0.87247%0.469SS*.Hα-helixtrans-84.5-29.6179.6-156.3178.1-154.4157.15.8113.3K184 M185 A186K184-R188 PolarHBondContact O-N 3.4Å; M185-R188 WeakPolarHBondContact O-CB 3.12Å; M185-R188 PolarHBondContact O-N 2.76Å; M185-R188 VanDerWaalsContact O-N 3.13Å; A186-R188 PolarHBondContact O-N 3.28Å; A186-R188 VanDerWaalsContact O-N 3.16Å
189L54.5Low62Low138 Ų13886.7 Ų86.772%0.72344%0.435SS*.Hα-helixtrans-90.1-39.3-179.3-66.8171.4000112.6M185 A186M185-L189 HydrophobicContact CG-CD1 4.34Å; M185-L189 WeakPolarHBondContact O-CG 3.44Å; M185-L189 PolarHBondContact O-N 2.95Å; M185-L189 VanDerWaalsContact O-N 3.16Å; A186-L189 PolarHBondContact O-N 2.75Å
190L63.6Low62Low87 Ų8791.7 Ų91.746%0.45546%0.458SS..Hα-helixtrans-107.2-10.3-172.5-57.6174.4000113.5A186 N194 V198A186-L190 PolarHBondContact O-N 3.23Å; L190-N194 HydrophobicContact CB-CB 3.95Å; L190-N194 WeakPolarHBondContact O-CB 3.46Å; L190-N194 PolarHBondContact O-ND2 3.21Å; L190-V198 HydrophobicContact CD1-CG2 4.1Å
191G60.4Low61.3Low25 Ų2591.9 Ų91.926%0.25847%0.467SS..  trans82162.8-16900000113R187 Q193 A195R187-G191 CarbonylContact O-C 3.48Å; R187-G191 VanDerWaalsContact O-CA 3.29Å; R187-G191 WeakPolarHBondContact O-CA 3.1Å; R187-G191 PolarHBondContact O-N 2.92Å; G191-Q193 PolarHBondContact O-N 3.09Å; G191-A195 VanDerWaalsContact O-CB 3.26Å; G191-A195 WeakPolarHBondContact O-CB 3.25Å; G191-A195 PolarHBondContact O-N 2.94Å; G191-A195 VanDerWaalsContact O-N 3.08Å
192P60.1Low60.8Low88 Ų8889.9 Ų89.957%0.57146%0.464SS*.Hα-helixtrans-67.5-32.1-167.924.3-33.8000114.6A196P192-A196 PolarHBondContact O-N 2.79Å
193Q61Low59.9Low165 Ų16590 Ų9077%0.77147%0.469SS*.Hα-helixtrans-75.7-49.1-178.9-71.5157.4-12.900111.5G191 A195 A196 A197G191-Q193 PolarHBondContact O-N 3.09Å; Q193-A195 PolarHBondContact O-N 2.75Å; Q193-A196 WeakPolarHBondContact O-CB 3.19Å; Q193-A196 PolarHBondContact O-N 2.83Å; Q193-A197 PolarHBondContact O-N 2.88Å
194N64Low58.9Low102 Ų10295.7 Ų95.755%0.54550%0.501SS..Hα-helixtrans-66-38.3179.1-59.9-31.9000111.9L190 A196 A197 V198L190-N194 HydrophobicContact CB-CB 3.95Å; L190-N194 WeakPolarHBondContact O-CB 3.46Å; L190-N194 PolarHBondContact O-ND2 3.21Å; N194-A196 VanDerWaalsContact C-N 3.31Å; N194-A196 PolarHBondContact O-N 3.12Å; N194-A197 PolarHBondContact O-N 2.81Å; N194-V198 WeakPolarHBondContact O-CG2 3.36Å; N194-V198 PolarHBondContact O-N 2.66Å
195A65.8Low57.9Low2 Ų295.4 Ų95.42%0.01751%0.513CS..Hα-helixtrans-65.1-33175.100000112.8A186 R187 G191 Q193 V198 F199A186-A195 HydrophobicContact CB-CB 4.03Å; R187-A195 HydrophobicContact CB-CB 4.16Å; R187-A195 HydrophobicContact CG-CB 3.56Å; G191-A195 VanDerWaalsContact O-CB 3.26Å; G191-A195 WeakPolarHBondContact O-CB 3.25Å; G191-A195 PolarHBondContact O-N 2.94Å; G191-A195 VanDerWaalsContact O-N 3.08Å; Q193-A195 PolarHBondContact O-N 2.75Å; A195-V198 PolarHBondContact O-N 2.81Å; A195-F199 WeakPolarHBondContact O-CD2 3.25Å
196A66Low56.9Low33 Ų3394.3 Ų94.327%0.27352%0.524SS..Hα-helixtrans-64.8-41174.400000111.8P192 Q193 N194 V198 F199 Q200P192-A196 PolarHBondContact O-N 2.79Å; Q193-A196 WeakPolarHBondContact O-CB 3.19Å; Q193-A196 PolarHBondContact O-N 2.83Å; N194-A196 VanDerWaalsContact C-N 3.31Å; N194-A196 PolarHBondContact O-N 3.12Å; A196-V198 VanDerWaalsContact C-N 3.34Å; A196-V198 PolarHBondContact O-N 3.08Å; A196-F199 PolarHBondContact O-N 2.88Å; A196-Q200 WeakPolarHBondContact O-CB 3.34Å; A196-Q200 VanDerWaalsContact O-CG 3.32Å; A196-Q200 WeakPolarHBondContact O-CG 3.09Å; A196-Q200 PolarHBondContact O-N 2.91Å
197A66.9Low55.6Low55 Ų5598.5 Ų98.546%0.45556%0.558SS.*Hα-helixtrans-61.8-38.8177.300000112.8Q193 N194 F199 Q200 A201Q193-A197 PolarHBondContact O-N 2.88Å; N194-A197 PolarHBondContact O-N 2.81Å; A197-F199 VanDerWaalsContact C-N 3.35Å; A197-F199 PolarHBondContact O-N 3.08Å; A197-Q200 PolarHBondContact O-N 2.87Å; A197-A201 WeakPolarHBondContact O-CB 3.45Å; A197-A201 PolarHBondContact O-N 2.88Å
198V63.3Low53.8Low72 Ų72103.7 Ų103.744%0.43659%0.587SS.*Hα-helixtrans-59.9-41178.31720000112.4L190 N194 A195 A196L190-V198 HydrophobicContact CD1-CG2 4.1Å; N194-V198 WeakPolarHBondContact O-CG2 3.36Å; N194-V198 PolarHBondContact O-N 2.66Å; A195-V198 PolarHBondContact O-N 2.81Å; A196-V198 VanDerWaalsContact C-N 3.34Å; A196-V198 PolarHBondContact O-N 3.08Å
199F62.3Low52.7Low48 Ų48100 Ų10021%0.21158%0.584CS.*Hα-helixtrans-88.9-20.9179.3-68.1-78.1000113.7E182 E183 A186 A195 A196 A197E182-F199 HydrophobicContact CB-CZ 4.24Å; E183-F199 HydrophobicContact CB-CE2 4.22Å; E183-F199 HydrophobicContact CG-CD1 4.22Å; E183-F199 HydrophobicContact CG-CD2 3.74Å; E183-F199 HydrophobicContact CG-CE1 4.13Å; E183-F199 HydrophobicContact CG-CE2 3.67Å; E183-F199 HydrophobicContact CG-CG 4.04Å; E183-F199 HydrophobicContact CG-CZ 3.86Å; A186-F199 HydrophobicContact CB-CE2 3.78Å; A186-F199 HydrophobicContact CB-CZ 4.45Å; A195-F199 WeakPolarHBondContact O-CD2 3.25Å; A196-F199 PolarHBondContact O-N 2.88Å; A197-F199 VanDerWaalsContact C-N 3.35Å; A197-F199 PolarHBondContact O-N 3.08Å
200Q56.1Low51.6Low139 Ų13998.4 Ų98.465%0.6558%0.584SS**Hα-helixtrans-70.2-36.3170.6-77.2175.5-15.500112A196 A197 Q202 N203A196-Q200 WeakPolarHBondContact O-CB 3.34Å; A196-Q200 VanDerWaalsContact O-CG 3.32Å; A196-Q200 WeakPolarHBondContact O-CG 3.09Å; A196-Q200 PolarHBondContact O-N 2.91Å; A197-Q200 PolarHBondContact O-N 2.87Å; Q200-Q202 PolarHBondContact O-N 3.2Å; Q200-Q202 VanDerWaalsContact O-N 3.07Å; Q200-N203 PolarHBondContact O-N 2.66Å; Q200-N203 VanDerWaalsContact O-N 3.16Å
201A51.6Low50Low75 Ų75102.3 Ų102.362%0.6260%0.6SS**THydrogen-bonded Turntrans-62.9-13.5177.500000114.9A197A197-A201 WeakPolarHBondContact O-CB 3.45Å; A197-A201 PolarHBondContact O-N 2.88Å
202Q47.6Very low48.7Very low137 Ų137109.1 Ų109.164%0.6463%0.626SS**THydrogen-bonded Turntrans-95.1-10178.2-69.8-174.1-39.200114.3Q200Q200-Q202 PolarHBondContact O-N 3.2Å; Q200-Q202 VanDerWaalsContact O-N 3.07Å
203N42.4Very low47.3Very low139 Ų139112.8 Ų112.874%0.74364%0.635SS**THydrogen-bonded Turntrans-101-9.1-179.8-77.5-41000114.2Q200Q200-N203 PolarHBondContact O-N 2.66Å; Q200-N203 VanDerWaalsContact O-N 3.16Å
204D40.6Very low45.8Very low162 Ų162111 Ų11187%0.86663%0.631SS**SBendtrans-97.613.6-177-12310.3000113.6
205S44.7Very low44.3Very low108 Ų108110 Ų11076%0.75563%0.631SS**SBendtrans-115.422.9177.646.50000113.7
206G38.9Very low42.8Very low63 Ų63117.6 Ų117.665%0.64967%0.666SS**SBendtrans-130.7111.2176.900000113.5
207A33.1Very low41.1Very low102 Ų102124.2 Ų124.284%0.84369%0.691SS**  trans71.4100.817000000118.6
208Q31.6Very low39.3Very low207 Ų207126.4 Ų126.497%0.96771%0.71SS**  -153.4134.2108-108.317613.400111.3
209D31.5Very low37.6Very low154 Ų154133.5 Ų133.582%0.82473%0.728SS**  trans-124.4120.5180-178.816.3000108
210S31.2Very low35.9Very low103 Ų103136.5 Ų136.572%0.7275%0.746SS**  trans167.7110.9155.6-79.70000113.3
211Q31.7Very low34.5Very low170 Ų170137.8 Ų137.879%0.79475%0.752SS**  trans48.4121.7135.6-57-172.68.100119.3
212Q32.9Very low33.8Very low168 Ų168140.5 Ų140.579%0.78576%0.761SS**  -174.816361-122.8163.934.600112
213H29.3Very low33.2Very low165 Ų165139.5 Ų139.576%0.76477%0.766SS**  trans15.8139.3160.9-86.1-90.4000120.7
214N29.9Very low33.2Very low128 Ų128139 Ų13968%0.68477%0.768SS**  cis-166.5167.742.2-143.1-2.3000113.6
215S33.1Very low32.8Very low80 Ų80136.7 Ų136.756%0.55977%0.765SS**  trans5.6142.5149.155.70000119.7
216E33.8Very low32.7Very low162 Ų162140.6 Ų140.676%0.75777%0.771SS**  cis-174.2173.821.7-122170.6-165.500110.4
217H30.3Very low32.4Very low171 Ų171144.4 Ų144.479%0.79278%0.782SS**  trans31138.3155-63.6-67.4000121.3
218A29.6Very low32.4Very low102 Ų102150.6 Ų150.684%0.84378%0.783SS**  cis-159.3-17630.300000113.7
219R27.8Very low32.9Very low220 Ų220146.2 Ų146.283%0.8378%0.775SS**  trans-100.7163.2-167.8-170.7-162179.9-170.31.5111.6
220L26.7Very low33.1Very low112 Ų112150.5 Ų150.559%0.58678%0.78SS**  trans103.2115.4152.5-57.1174.1000120.1
221Q26.1Very low33.7Very low166 Ų166151.6 Ų151.678%0.77679%0.787SS**  71.7120.2123.8-67.7173.4-27.200121.6
222V36.7Very low34.1Very low132 Ų132148.9 Ų148.980%0.879%0.788SS**  trans-58.8143.6153.1-171.60000110.5
223P36Very low35Very low115 Ų115146.4 Ų146.475%0.74779%0.789SS**  trans-128.3127.314034.5-24.5000112.8
224T40.7Very low35.7Very low129 Ų129150.4 Ų150.479%0.79180%0.797SS**  trans-73.4131.4162.5-47.60000109
225S33.7Very low36.7Very low114 Ų114148 Ų14880%0.79780%0.803SS**  trans-157.2136.3161.5-83.90000112.3
226Q42.2Very low37.3Very low190 Ų190151.5 Ų151.589%0.88882%0.815SS**  trans-77140.8179.2-58168.3-13.500110.7
227V32.8Very low38Very low143 Ų143149.2 Ų149.287%0.86781%0.812SS**  trans-135.8132.8156-177.80000111.5
228R33.5Very low38.7Very low232 Ų232147.5 Ų147.588%0.87581%0.809SS**  trans-36.5149.8176.6-77.2167.2161.3157.1-7117.8
229S40.3Very low39.7Very low115 Ų115148.9 Ų148.980%0.80480%0.802SS**  trans-43138.4156.440.70000115
230R36.7Very low40.9Very low244 Ų244146.7 Ų146.792%0.92180%0.801SS**  trans-133124.1149.6-79.6-173.5171.9171.2-1.9108.8
231S43.8Very low42Very low125 Ų125148 Ų14887%0.87481%0.809SS**  trans-80120.9169.250.70000109.7
232S40.2Very low43.4Very low114 Ų114144.1 Ų144.180%0.79781%0.805SS**  trans-139.4101.4163.956.90000109.6R234S232-R234 PolarHBondContact O-N 3.42Å
233S51.4Low44.4Very low116 Ų116145.4 Ų145.481%0.81181%0.806SS**  trans-63122.6173.751.60000111.8
234R44.4Very low45.4Very low248 Ų248148.4 Ų148.494%0.93681%0.81SS**  trans-161.9131.9143.8-101.6151.2-165.8-163.82.5106.5S232S232-R234 PolarHBondContact O-N 3.42Å
235G50.5Low46.8Very low79 Ų79148.3 Ų148.381%0.81480%0.801SS**  trans-73.3132-169.300000111.9
236D45Very low49.2Very low152 Ų152151.3 Ų151.381%0.81380%0.799SS**  trans-126.4123.5142.6-112.2-37000106.4N238D236-N238 PolarHBondContact O-N 2.75Å
237V49.3Very low51.6Low115 Ų115146.3 Ų146.370%0.69778%0.775SS**  trans-82.478-179.7-176.80000107.9D239V237-D239 HydrophobicContact CG1-CB 4.26Å; V237-D239 VanDerWaalsContact CG1-OD2 3.29Å; V237-D239 WeakPolarHBondContact CG1-OD2 3.33Å; V237-D239 PolarHBondContact O-N 3.12Å
238N46.2Very low54.6Low134 Ų134144.6 Ų144.672%0.71775%0.753SS**  trans-80.170.5164.5-93-27.3000109.2D236 Q240D236-N238 PolarHBondContact O-N 2.75Å; N238-Q240 PolarHBondContact O-N 2.96Å
239D50.4Low57.6Low131 Ų131136.9 Ų136.970%0.70173%0.733SS**  trans-71.560.8159.2-72.3-20.6000109V237 D241V237-D239 HydrophobicContact CG1-CB 4.26Å; V237-D239 VanDerWaalsContact CG1-OD2 3.29Å; V237-D239 WeakPolarHBondContact CG1-OD2 3.33Å; V237-D239 PolarHBondContact O-N 3.12Å; D239-D241 PolarHBondContact O-N 3.17Å; D239-D241 VanDerWaalsContact O-N 3.13Å
240Q51.4Low60.4Low174 Ų174131.8 Ų131.881%0.81370%0.698SS**  trans-7968.1148.3-70.7-166.10.200107.3N238 A242N238-Q240 PolarHBondContact O-N 2.96Å; Q240-A242 PolarHBondContact O-N 3.04Å
241D51Low63.2Low140 Ų140128.9 Ų128.975%0.74969%0.687SS**  trans-5597.8154.5-101.9-21.2000106.2D239 I243D239-D241 PolarHBondContact O-N 3.17Å; D239-D241 VanDerWaalsContact O-N 3.13Å; D241-I243 PolarHBondContact O-N 2.92Å
242A54.8Low65.8Low85 Ų85124.6 Ų124.670%0.70265%0.652SS**  trans-59.4106.517200000106.3Q240 Q244Q240-A242 PolarHBondContact O-N 3.04Å; A242-Q244 PolarHBondContact O-N 3.41Å
243I58.3Low68.5Low159 Ų159124.7 Ų124.782%0.81564%0.643SS**  trans-61.691.1178.4-57.2175.2000107D241 E245D241-I243 PolarHBondContact O-N 2.92Å; I243-E245 PolarHBondContact O-N 3.49Å
244Q57.8Low70.6Confident178 Ų178123.3 Ų123.383%0.83262%0.624SS**  trans-65.6101.2169.8-69.6-173.51.300105.9A242 K246A242-Q244 PolarHBondContact O-N 3.41Å; Q244-K246 PolarHBondContact O-N 3.05Å
245E69.7Low73.1Confident126 Ų126114.8 Ų114.859%0.58960%0.599SS**  trans-53109.3175.6-73.8-165132.100108.8I243 F247 R328I243-E245 PolarHBondContact O-N 3.49Å; E245-F247 HydrophobicContact CB-CD1 4.22Å; E245-F247 HydrophobicContact CB-CE1 3.31Å; E245-F247 HydrophobicContact CB-CZ 3.61Å; E245-F247 HydrophobicContact CG-CE1 4.31Å; E245-F247 WeakPolarHBondContact O-CD1 3.35Å; E245-F247 WeakPolarHBondContact O-CE1 3.24Å; E245-F247 PolarHBondContact O-N 2.84Å; E245-F247 VanDerWaalsContact OE2-CE1 3.26Å; E245-F247 WeakPolarHBondContact OE2-CE1 3.28Å; E245-F247 WeakPolarHBondContact OE2-CZ 3.26Å; E245-R328 IonicContact OE2-NH2 3.75Å
246K83.4Confident75.3Confident178 Ų178112.1 Ų112.177%0.77457%0.567SS**  trans-75.688.9-173.8-173.7174.1-178.7173.10110Q244Q244-K246 PolarHBondContact O-N 3.05Å
247F93.1Very high77.7Confident84 Ų84113 Ų11337%0.36857%0.567SS.*  trans-65.5145.7172.4-49.4-39.5000110.6E245 L276 R328 A329E245-F247 HydrophobicContact CB-CD1 4.22Å; E245-F247 HydrophobicContact CB-CE1 3.31Å; E245-F247 HydrophobicContact CB-CZ 3.61Å; E245-F247 HydrophobicContact CG-CE1 4.31Å; E245-F247 WeakPolarHBondContact O-CD1 3.35Å; E245-F247 WeakPolarHBondContact O-CE1 3.24Å; E245-F247 PolarHBondContact O-N 2.84Å; E245-F247 VanDerWaalsContact OE2-CE1 3.26Å; E245-F247 WeakPolarHBondContact OE2-CE1 3.28Å; E245-F247 WeakPolarHBondContact OE2-CZ 3.26Å; F247-L276 VanDerWaalsContact CA-O 3.22Å; F247-L276 WeakPolarHBondContact CA-O 3.47Å; F247-L276 VanDerWaalsContact CB-O 3.29Å; F247-L276 WeakPolarHBondContact CB-O 3.33Å; F247-R328 VanDerWaalsContact CE2-NE 3.34Å; F247-R328 VanDerWaalsContact CZ-CZ 3.44Å; F247-A329 HydrophobicContact CB-CB 3.91Å
248Y95.2Very high79.9Confident107 Ų107113 Ų11342%0.4256%0.562SS.*EExtended strand (participates in β ladder)trans-140.4142.1174.455.4-93.1000110.4G275 L276 N327Y248-G275 VanDerWaalsContact CE2-C 3.46Å; Y248-L276 HydrophobicContact CD1-CB 3.62Å; Y248-L276 HydrophobicContact CE1-CB 3.26Å; Y248-L276 HydrophobicContact CE1-CD2 4.11Å; Y248-L276 HydrophobicContact CE1-CG 4.3Å; Y248-L276 HydrophobicContact CE2-CB 4.28Å; Y248-L276 HydrophobicContact CG-CB 4.26Å; Y248-L276 PolarHBondContact N-O 3.34Å; Y248-L276 PolarHBondContact O-N 3.37Å; Y248-L276 VanDerWaalsContact O-N 3.15Å; Y248-N327 PolarHBondContact O-ND2 2.76Å
249P97.1Very high82.2Confident70 Ų70108.3 Ų108.346%0.45554%0.537SS..EExtended strand (participates in β ladder)trans-63.7163.1-176.226.9-35.8000111.4
250P97.9Very high84.4Confident9 Ų9105.3 Ų105.36%0.05853%0.526CS..EExtended strand (participates in β ladder)trans-62141.2176.8-20.135.6000110.7V273 S274 P279 A325 N327 G330 A332P250-V273 HydrophobicContact CB-CG2 4.16Å; P250-S274 CarbonylContact C-O 3.58Å; P250-S274 VanDerWaalsContact CA-O 3.22Å; P250-S274 WeakPolarHBondContact CA-O 3.45Å; P250-P279 HydrophobicContact CB-CB 4.01Å; P250-P279 HydrophobicContact CB-CG 4.4Å; P250-P279 HydrophobicContact CG-CB 3.93Å; P250-A325 HydrophobicContact CB-CB 3.93Å; P250-A325 WeakPolarHBondContact CG-O 3.4Å; P250-N327 WeakPolarHBondContact CD-OD1 3.41Å; P250-N327 HydrophobicContact CG-CB 4.29Å; P250-G330 WeakPolarHBondContact CD-O 3.45Å; P250-G330 WeakPolarHBondContact CG-O 3.49Å; P250-A332 HydrophobicContact CB-CB 4.16Å; P250-A332 WeakPolarHBondContact O-CB 3.42Å
251R97.1Very high86.4Confident183 Ų18398.6 Ų98.669%0.69150%0.495SS*.EExtended strand (participates in β ladder)trans-141.6122.4175.3178.6176.4175.2174.90.1110.1I253 V273 S274R251-I253 PolarHBondContact O-N 3.13Å; R251-V273 WeakPolarHBondContact O-CA 3.19Å; R251-S274 PolarHBondContact N-O 2.83Å; R251-S274 PolarHBondContact O-N 2.79Å; R251-S274 PolarHBondContact O-OG 2.94Å
252F97Very high88.4Confident34 Ų3495.4 Ų95.415%0.14948%0.478CS..EExtended strand (participates in β ladder)trans-70127.3170.4-63-73.1000110.3V255 F271 K272 V273 A325 A332 F334F252-V255 HydrophobicContact CB-CG1 3.76Å; F252-V255 HydrophobicContact CG-CG1 4.17Å; F252-F271 HydrophobicContact CD1-CD2 4.13Å; F252-F271 AromaticContact CE1-CD2 3.88Å; F252-F271 HydrophobicContact CE1-CD2 3.88Å; F252-F271 HydrophobicContact CE1-CE2 4.14Å; F252-K272 CarbonylContact C-O 3.15Å; F252-K272 WeakPolarHBondContact CA-O 3.34Å; F252-V273 HydrophobicContact CD1-CB 3.76Å; F252-V273 HydrophobicContact CD1-CG2 3.96Å; F252-V273 HydrophobicContact CE1-CB 3.85Å; F252-V273 HydrophobicContact CE1-CG2 3.95Å; F252-V273 HydrophobicContact CG-CG2 4.49Å; F252-V273 HydrophobicContact CZ-CG2 4.49Å; F252-A325 HydrophobicContact CE1-CB 4.06Å; F252-A325 HydrophobicContact CE2-CB 4.28Å; F252-A325 HydrophobicContact CZ-CB 3.56Å; F252-A332 HydrophobicContact CD2-CB 4.08Å; F252-A332 HydrophobicContact CE2-CB 3.87Å; F252-A332 WeakPolarHBondContact CE2-O 3.26Å; F252-F334 AromaticContact CD1-CD1 3.62Å; F252-F334 HydrophobicContact CD1-CD1 3.62Å; F252-F334 AromaticContact CD1-CE1 3.72Å; F252-F334 HydrophobicContact CD1-CE1 3.72Å; F252-F334 HydrophobicContact CD2-CB 4.42Å; F252-F334 AromaticContact CD2-CD1 3.76Å; F252-F334 HydrophobicContact CD2-CD1 3.76Å; F252-F334 AromaticContact CE1-CD1 3.56Å; F252-F334 HydrophobicContact CE1-CD1 3.56Å; F252-F334 AromaticContact CE1-CE1 3.53Å; F252-F334 HydrophobicContact CE1-CE1 3.53Å; F252-F334 AromaticContact CE2-CD1 3.69Å; F252-F334 HydrophobicContact CE2-CD1 3.69Å; F252-F334 HydrophobicContact CE2-CE1 4.47Å; F252-F334 AromaticContact CG-CD1 3.72Å; F252-F334 HydrophobicContact CG-CD1 3.72Å; F252-F334 HydrophobicContact CG-CE1 4.28Å; F252-F334 AromaticContact CZ-CD1 3.6Å; F252-F334 HydrophobicContact CZ-CD1 3.6Å; F252-F334 AromaticContact CZ-CE1 3.94Å; F252-F334 HydrophobicContact CZ-CE1 3.94Å
253I96.4Very high90.1Very high117 Ų11793.8 Ų93.860%0.646%0.456SS*.EExtended strand (participates in β ladder)trans-96.9-32.2176.3-63.9166.2000109.9R251 K272R251-I253 PolarHBondContact O-N 3.13Å; I253-K272 HydrophobicContact CB-CB 4.19Å; I253-K272 PolarHBondContact N-O 2.81Å
254Q95.9Very high91.6Very high86 Ų8688.2 Ų88.240%0.40244%0.438SS..EExtended strand (participates in β ladder)trans-144.3134.2179.2-178.5179.6-5.300107.9F271 K272Q254-F271 CarbonylContact O-C 3.45Å; Q254-F271 VanDerWaalsContact O-CA 3.31Å; Q254-F271 WeakPolarHBondContact O-CA 3.38Å; Q254-F271 VanDerWaalsContact O-CB 3.31Å; Q254-F271 WeakPolarHBondContact O-CB 3.49Å; Q254-K272 HydrophobicContact CB-CB 4.03Å; Q254-K272 HydrophobicContact CB-CD 4.41Å; Q254-K272 HydrophobicContact CB-CG 4.17Å; Q254-K272 PolarHBondContact N-O 2.93Å; Q254-K272 PolarHBondContact O-N 2.81Å; Q254-K272 VanDerWaalsContact OE1-CE 3.32Å
255V96.9Very high93.2Very high70 Ų7086.9 Ų86.942%0.42443%0.425SS..  trans-127.8150.6174.7-61.20000109F252 F334F252-V255 HydrophobicContact CB-CG1 3.76Å; F252-V255 HydrophobicContact CG-CG1 4.17Å; V255-F334 HydrophobicContact CB-CD1 4.33Å; V255-F334 HydrophobicContact CB-CD2 4.1Å; V255-F334 HydrophobicContact CB-CE1 4.49Å; V255-F334 HydrophobicContact CB-CE2 4.31Å; V255-F334 HydrophobicContact CB-CG 4.14Å; V255-F334 HydrophobicContact CB-CZ 4.49Å; V255-F334 HydrophobicContact CG1-CB 3.97Å; V255-F334 HydrophobicContact CG1-CD1 3.52Å; V255-F334 HydrophobicContact CG1-CD2 4.09Å; V255-F334 HydrophobicContact CG1-CE1 3.94Å; V255-F334 HydrophobicContact CG1-CE2 4.49Å; V255-F334 HydrophobicContact CG1-CG 3.6Å; V255-F334 HydrophobicContact CG1-CZ 4.41Å
256P96.3Very high94.3Very high22 Ų2286.7 Ų86.714%0.14342%0.423CS..PPolyproline II helixtrans-70.1153.9171.331.8-37.6000111.1M269 F334 V336P256-M269 HydrophobicContact CB-CB 4.45Å; P256-M269 HydrophobicContact CG-CB 4.26Å; P256-F334 HydrophobicContact CG-CE2 3.83Å; P256-F334 HydrophobicContact CG-CZ 4.18Å; P256-V336 HydrophobicContact CB-CG2 4.43Å; P256-V336 HydrophobicContact CG-CB 4.22Å; P256-V336 HydrophobicContact CG-CG1 4.14Å; P256-V336 HydrophobicContact CG-CG2 4.17Å
257E96Very high94.8Very high171 Ų17178.3 Ų78.380%0.79939%0.387SS*.PPolyproline II helixtrans-86.7165.1168.7-65.6-177.9179.300111.1V336E257-V336 WeakPolarHBondContact O-CG2 3.27Å
258N96.6Very high94.9Very high114 Ų11479.4 Ų79.461%0.6139%0.388SS*.PPolyproline II helixtrans-59.9145.5173.7-65.2-17.3000110.9Q337N258-Q337 WeakPolarHBondContact CA-O 3.3Å; N258-Q337 HydrophobicContact CB-CB 4.17Å; N258-Q337 PolarHBondContact OD1-N 2.95Å
259M94.7Very high94.9Very high37 Ų3774.3 Ų74.318%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-147.9137.6-162.238.6-174.3-8000112.2I261 C267 M269 Q337 L338 D339M259-I261 HydrophobicContact CE-CD1 3.48Å; M259-I261 VanDerWaalsContact CE-CD1 3.48Å; M259-I261 HydrophobicContact CE-CG1 4.43Å; M259-C267 WeakPolarHBondContact CE-SG 3.32Å; M259-M269 HydrophobicContact CE-CE 3.88Å; M259-M269 HydrophobicContact CE-CG 3.97Å; M259-M269 HydrophobicContact SD-CE 3.93Å; M259-M269 HydrophobicContact SD-CG 3.63Å; M259-Q337 PolarHBondContact N-O 3.25Å; M259-L338 HydrophobicContact CE-CD1 3.89Å; M259-L338 HydrophobicContact CG-CD1 4.27Å; M259-L338 WeakPolarHBondContact O-CA 3.37Å; M259-D339 PolarHBondContact O-N 2.82Å
260S95.6Very high94.9Very high68 Ų6873.2 Ų73.248%0.47636%0.359SS..EExtended strand (participates in β ladder)trans-119.1124.8-179.5-161.70000110.3D339 L341S260-D339 CarbonylContact C-O 3.59Å; S260-D339 VanDerWaalsContact CA-O 3.25Å; S260-D339 WeakPolarHBondContact CA-O 3.43Å; S260-L341 WeakPolarHBondContact OG-CD2 3.27Å; S260-L341 WeakPolarHBondContact OG-CG 3.28Å
261I93.8Very high94.8Very high32 Ų3273 Ų7316%0.16436%0.357CS..EExtended strand (participates in β ladder)trans-137.8134.7-168.6-65-173.4000111.2M259 R265 C267 V313 L338 D339 V340 L341M259-I261 HydrophobicContact CE-CD1 3.48Å; M259-I261 VanDerWaalsContact CE-CD1 3.48Å; M259-I261 HydrophobicContact CE-CG1 4.43Å; I261-R265 HydrophobicContact CG2-CB 3.7Å; I261-R265 HydrophobicContact CG2-CG 4.35Å; I261-C267 HydrophobicContact CD1-CB 3.56Å; I261-V313 HydrophobicContact CG2-CB 4.47Å; I261-V313 HydrophobicContact CG2-CG2 4.19Å; I261-L338 HydrophobicContact CB-CD1 4.45Å; I261-L338 HydrophobicContact CD1-CD1 4.38Å; I261-L338 HydrophobicContact CG1-CD1 4.4Å; I261-D339 PolarHBondContact N-O 2.78Å; I261-V340 CarbonylContact O-C 3.59Å; I261-V340 WeakPolarHBondContact O-CA 3.22Å; I261-L341 PolarHBondContact O-N 3.4Å
262D91.9Very high94.8Very high74 Ų7468 Ų6840%0.39634%0.34SS..EExtended strand (participates in β ladder)trans-61.6136.6173.8-46.4-49.7000111.7G264 R265D262-G264 PolarHBondContact O-N 3.33Å; D262-R265 HydrophobicContact CB-CG 3.79Å; D262-R265 VanDerWaalsContact O-CB 3.28Å; D262-R265 WeakPolarHBondContact O-CB 3.47Å; D262-R265 WeakPolarHBondContact O-CG 3.34Å; D262-R265 PolarHBondContact O-N 3.44Å; D262-R265 IonicContact OD2-NE 3.73Å; D262-R265 IonicContact OD2-NH2 3.68Å
263E92.2Very high94.8Very high50 Ų5067.1 Ų67.123%0.23434%0.338CS..THydrogen-bonded Turntrans-56.5134.5172.8-169.8176.6-149.300111.7A315 V340 L341 K343E263-A315 WeakPolarHBondContact OE1-CB 3.42Å; E263-A315 PolarHBondContact OE1-N 2.77Å; E263-V340 HydrophobicContact CB-CG1 3.91Å; E263-V340 HydrophobicContact CG-CG1 4.36Å; E263-L341 PolarHBondContact N-O 3.19Å; E263-K343 HydrophobicContact CB-CB 4.01Å
264G88.8Confident94.7Very high42 Ų4263.2 Ų63.243%0.43332%0.32SS..THydrogen-bonded Turntrans88.45.2-176.300000115.1D262 V313D262-G264 PolarHBondContact O-N 3.33Å; G264-V313 PolarHBondContact N-O 2.77Å
265R91.4Very high94.6Very high150 Ų15059.6 Ų59.657%0.56631%0.306SS*.  trans-90.4162174.5-66.8-68-155.7161.910.5112.6I261 D262 V312 V313I261-R265 HydrophobicContact CG2-CB 3.7Å; I261-R265 HydrophobicContact CG2-CG 4.35Å; D262-R265 HydrophobicContact CB-CG 3.79Å; D262-R265 VanDerWaalsContact O-CB 3.28Å; D262-R265 WeakPolarHBondContact O-CB 3.47Å; D262-R265 WeakPolarHBondContact O-CG 3.34Å; D262-R265 PolarHBondContact O-N 3.44Å; D262-R265 IonicContact OD2-NE 3.73Å; D262-R265 IonicContact OD2-NH2 3.68Å; R265-V312 WeakPolarHBondContact O-CA 3.42Å; R265-V313 WeakPolarHBondContact O-CG2 3.14Å; R265-V313 PolarHBondContact O-N 3.32Å
266F93.1Very high94.5Very high123 Ų12359.7 Ų59.754%0.53930%0.304SS..  trans-74.4142.9164.4175.2-90.7000110.5R268 I309F266-R268 HydrophobicContact CE1-CB 3.81Å; F266-R268 HydrophobicContact CZ-CB 4.11Å; F266-I309 HydrophobicContact CD2-CG2 4.37Å; F266-I309 HydrophobicContact CE2-CG2 3.39Å; F266-I309 HydrophobicContact CZ-CG2 3.68Å
267C94Very high94.4Very high2 Ų260.5 Ų60.51%0.01431%0.309CS..EExtended strand (participates in β ladder)trans-137.6146.8177.3158.10000110.8M259 I261 I309 F310 V313M259-C267 WeakPolarHBondContact CE-SG 3.32Å; I261-C267 HydrophobicContact CD1-CB 3.56Å; C267-I309 WeakPolarHBondContact O-CA 3.29Å; C267-F310 HydrophobicContact CB-CB 3.99Å; C267-F310 HydrophobicContact CB-CD2 3.91Å; C267-F310 HydrophobicContact CB-CG 4.23Å; C267-F310 PolarHBondContact N-O 2.83Å; C267-F310 PolarHBondContact O-N 2.94Å; C267-F310 WeakPolarHBondContact SG-CD2 3.42Å; C267-V313 HydrophobicContact CB-CG2 3.31Å
268R95.3Very high94.2Very high106 Ų10655.8 Ų55.840%0.430%0.3SS..EExtended strand (participates in β ladder)trans-146.6122.3176.9175.8171.9177.6161.85.4111F266 D270 S307 L308 I309F266-R268 HydrophobicContact CE1-CB 3.81Å; F266-R268 HydrophobicContact CZ-CB 4.11Å; R268-D270 IonicContact CZ-OD1 2.64Å; R268-D270 IonicContact CZ-OD2 3.49Å; R268-D270 VanDerWaalsContact NE-CG 3.31Å; R268-D270 IonicContact NE-OD1 3.57Å; R268-D270 PolarHBondContact NE-OD1 2.87Å; R268-D270 IonicContact NE-OD2 2.77Å; R268-D270 PolarHBondContact NE-OD2 2.86Å; R268-D270 VanDerWaalsContact NE-OD2 3.1Å; R268-D270 IonicContact NH2-OD1 3.91Å; R268-D270 PolarHBondContact NH2-OD1 2.9Å; R268-D270 IonicContact NH2-OD2 3.35Å; R268-S307 PolarHBondContact NE-OG 3.2Å; R268-S307 PolarHBondContact NH2-OG 3.31Å; R268-L308 WeakPolarHBondContact CA-O 3.47Å; R268-I309 HydrophobicContact CB-CG1 4.26Å; R268-I309 HydrophobicContact CG-CG1 3.93Å
269M95.7Very high94.2Very high1 Ų151.3 Ų51.31%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-102.7110.6173.9-65.9174.2-174.800109.3P256 M259 W283 S307 L308 F310 Y321 V336 L338P256-M269 HydrophobicContact CB-CB 4.45Å; P256-M269 HydrophobicContact CG-CB 4.26Å; M259-M269 HydrophobicContact CE-CE 3.88Å; M259-M269 HydrophobicContact CE-CG 3.97Å; M259-M269 HydrophobicContact SD-CE 3.93Å; M259-M269 HydrophobicContact SD-CG 3.63Å; M269-W283 HydrophobicContact SD-CH2 4.14Å; M269-W283 HydrophobicContact SD-CZ3 4.39Å; M269-S307 VanDerWaalsContact O-CA 3.32Å; M269-S307 WeakPolarHBondContact O-CA 3.5Å; M269-L308 HydrophobicContact CB-CB 4.32Å; M269-L308 PolarHBondContact N-O 3.25Å; M269-L308 PolarHBondContact O-N 3.03Å; M269-L308 HydrophobicContact SD-CD2 4.1Å; M269-F310 HydrophobicContact CE-CE2 3.87Å; M269-F310 HydrophobicContact CE-CZ 4.13Å; M269-F310 HydrophobicContact SD-CE2 4.15Å; M269-Y321 HydrophobicContact CE-CD2 4.1Å; M269-Y321 HydrophobicContact CE-CE2 4.38Å; M269-Y321 HydrophobicContact CE-CG 4.43Å; M269-V336 HydrophobicContact CE-CG1 4.45Å; M269-V336 HydrophobicContact SD-CG1 3.97Å; M269-L338 HydrophobicContact CE-CB 3.79Å; M269-L338 HydrophobicContact CE-CD2 3.81Å; M269-L338 HydrophobicContact CE-CG 4.26Å
270D96Very high94.2Very high46 Ų4655.1 Ų55.125%0.24630%0.298CS..EExtended strand (participates in β ladder)trans-102.7130.4-177-83.4-18.3000112R268 L305 H306 S307R268-D270 IonicContact CZ-OD1 2.64Å; R268-D270 IonicContact CZ-OD2 3.49Å; R268-D270 VanDerWaalsContact NE-CG 3.31Å; R268-D270 IonicContact NE-OD1 3.57Å; R268-D270 PolarHBondContact NE-OD1 2.87Å; R268-D270 IonicContact NE-OD2 2.77Å; R268-D270 PolarHBondContact NE-OD2 2.86Å; R268-D270 VanDerWaalsContact NE-OD2 3.1Å; R268-D270 IonicContact NH2-OD1 3.91Å; R268-D270 PolarHBondContact NH2-OD1 2.9Å; R268-D270 IonicContact NH2-OD2 3.35Å; D270-L305 HydrophobicContact CB-CD1 4.2Å; D270-L305 HydrophobicContact CB-CD2 4.45Å; D270-H306 WeakPolarHBondContact CA-O 3.32Å; D270-S307 WeakPolarHBondContact OD1-CB 3.19Å; D270-S307 PolarHBondContact OD1-OG 2.99Å
271F96.7Very high94.1Very high4 Ų452.6 Ų52.62%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-144.1161.7179.767.2-78.7000112.1F252 Q254 V281 W283 H306 F334F252-F271 HydrophobicContact CD1-CD2 4.13Å; F252-F271 AromaticContact CE1-CD2 3.88Å; F252-F271 HydrophobicContact CE1-CD2 3.88Å; F252-F271 HydrophobicContact CE1-CE2 4.14Å; Q254-F271 CarbonylContact O-C 3.45Å; Q254-F271 VanDerWaalsContact O-CA 3.31Å; Q254-F271 WeakPolarHBondContact O-CA 3.38Å; Q254-F271 VanDerWaalsContact O-CB 3.31Å; Q254-F271 WeakPolarHBondContact O-CB 3.49Å; F271-V281 HydrophobicContact CE2-CG1 3.85Å; F271-V281 HydrophobicContact CE2-CG2 4.45Å; F271-V281 HydrophobicContact CZ-CG1 3.71Å; F271-W283 AromaticContact CD1-CZ2 3.78Å; F271-W283 HydrophobicContact CD1-CZ2 3.78Å; F271-W283 AromaticContact CE1-CE2 3.87Å; F271-W283 AromaticContact CE1-CZ2 3.57Å; F271-W283 HydrophobicContact CE1-CZ2 3.57Å; F271-W283 AromaticContact CE1-NE1 3.59Å; F271-W283 HydrophobicContact CZ-CZ2 4.28Å; F271-W283 AromaticContact CZ-NE1 3.78Å; F271-H306 HydrophobicContact CD1-CB 3.91Å; F271-H306 HydrophobicContact CD2-CB 3.94Å; F271-H306 HydrophobicContact CE1-CB 3.46Å; F271-H306 VanDerWaalsContact CE1-CB 3.46Å; F271-H306 HydrophobicContact CE2-CB 3.5Å; F271-H306 AromaticContact CE2-CG 3.83Å; F271-H306 HydrophobicContact CG-CB 4.12Å; F271-H306 HydrophobicContact CZ-CB 3.25Å; F271-H306 AromaticContact CZ-CG 3.91Å; F271-H306 PolarHBondContact N-O 2.92Å; F271-H306 PolarHBondContact O-N 2.92Å; F271-F334 HydrophobicContact CB-CE1 4.04Å; F271-F334 HydrophobicContact CB-CZ 4.01Å; F271-F334 HydrophobicContact CD1-CZ 4.41Å; F271-F334 AromaticContact CD2-CE1 4Å; F271-F334 HydrophobicContact CD2-CE1 4Å; F271-F334 HydrophobicContact CD2-CZ 4.46Å; F271-F334 HydrophobicContact CG-CE1 4.02Å; F271-F334 HydrophobicContact CG-CZ 4.06Å
272K96.6Very high94.2Very high78 Ų7853.2 Ų53.234%0.33929%0.287SS..EExtended strand (participates in β ladder)trans-130.3134.6174.3-64-177.6-174.4167.80109.9F252 I253 Q254 L305F252-K272 CarbonylContact C-O 3.15Å; F252-K272 WeakPolarHBondContact CA-O 3.34Å; I253-K272 HydrophobicContact CB-CB 4.19Å; I253-K272 PolarHBondContact N-O 2.81Å; Q254-K272 HydrophobicContact CB-CB 4.03Å; Q254-K272 HydrophobicContact CB-CD 4.41Å; Q254-K272 HydrophobicContact CB-CG 4.17Å; Q254-K272 PolarHBondContact N-O 2.93Å; Q254-K272 PolarHBondContact O-N 2.81Å; Q254-K272 VanDerWaalsContact OE1-CE 3.32Å; K272-L305 HydrophobicContact CD-CD1 4.35Å; K272-L305 HydrophobicContact CG-CD1 3.69Å
273V96.6Very high94.4Very high17 Ų1749.8 Ų49.810%0.10327%0.268CS..EExtended strand (participates in β ladder)trans-128.6136.6174.864.80000109.2P250 R251 F252 P279 V281 A325P250-V273 HydrophobicContact CB-CG2 4.16Å; R251-V273 WeakPolarHBondContact O-CA 3.19Å; F252-V273 HydrophobicContact CD1-CB 3.76Å; F252-V273 HydrophobicContact CD1-CG2 3.96Å; F252-V273 HydrophobicContact CE1-CB 3.85Å; F252-V273 HydrophobicContact CE1-CG2 3.95Å; F252-V273 HydrophobicContact CG-CG2 4.49Å; F252-V273 HydrophobicContact CZ-CG2 4.49Å; V273-P279 HydrophobicContact CB-CG 4.42Å; V273-P279 HydrophobicContact CG1-CG 3.72Å; V273-P279 HydrophobicContact CG2-CG 3.88Å; V273-V281 HydrophobicContact CG1-CG2 4.11Å; V273-A325 HydrophobicContact CG2-CB 3.8Å
274S95.4Very high94.6Very high34 Ų3451.2 Ų51.224%0.23827%0.272CS..EExtended strand (participates in β ladder)trans-105.5157.8165.857.90000110.2P250 R251P250-S274 CarbonylContact C-O 3.58Å; P250-S274 VanDerWaalsContact CA-O 3.22Å; P250-S274 WeakPolarHBondContact CA-O 3.45Å; R251-S274 PolarHBondContact N-O 2.83Å; R251-S274 PolarHBondContact O-N 2.79Å; R251-S274 PolarHBondContact O-OG 2.94Å
275G93.9Very high94.9Very high10 Ų1050.8 Ų50.810%0.10326%0.26CS..EExtended strand (participates in β ladder)trans174.6148.7176.400000109Y248 P277Y248-G275 VanDerWaalsContact CE2-C 3.46Å; G275-P277 CarbonylContact C-O 3.46Å; G275-P277 CarbonylContact O-C 3.43Å
276L94.1Very high94.7Very high73 Ų7348.8 Ų48.838%0.38226%0.26SS..EExtended strand (participates in β ladder)trans-131117.9170.6-170.171.2000109.8F247 Y248 N327F247-L276 VanDerWaalsContact CA-O 3.22Å; F247-L276 WeakPolarHBondContact CA-O 3.47Å; F247-L276 VanDerWaalsContact CB-O 3.29Å; F247-L276 WeakPolarHBondContact CB-O 3.33Å; Y248-L276 HydrophobicContact CD1-CB 3.62Å; Y248-L276 HydrophobicContact CE1-CB 3.26Å; Y248-L276 HydrophobicContact CE1-CD2 4.11Å; Y248-L276 HydrophobicContact CE1-CG 4.3Å; Y248-L276 HydrophobicContact CE2-CB 4.28Å; Y248-L276 HydrophobicContact CG-CB 4.26Å; Y248-L276 PolarHBondContact N-O 3.34Å; Y248-L276 PolarHBondContact O-N 3.37Å; Y248-L276 VanDerWaalsContact O-N 3.15Å; L276-N327 PolarHBondContact N-ND2 2.85Å
277P93.9Very high94.5Very high38 Ų3846.1 Ų46.125%0.24727%0.267CS..SBendcis-57.4161.7-4.8-24.736.5000113.9G275 N327 R328G275-P277 CarbonylContact C-O 3.46Å; G275-P277 CarbonylContact O-C 3.43Å; P277-N327 WeakPolarHBondContact O-CB 3.18Å; P277-N327 PolarHBondContact O-ND2 2.89Å; P277-R328 HydrophobicContact CG-CG 3.91Å
278A93Very high94.4Very high73 Ų7355.4 Ų55.460%0.60330%0.302SS*.PPolyproline II helixtrans-53.1128.6176.800000109.9
279P95Very high94.3Very high19 Ų1954.6 Ų54.612%0.12331%0.31CS..PPolyproline II helixtrans-75.8141.1-173.130-34.2000111.8P250 V273 A325 R326 N327P250-P279 HydrophobicContact CB-CB 4.01Å; P250-P279 HydrophobicContact CB-CG 4.4Å; P250-P279 HydrophobicContact CG-CB 3.93Å; V273-P279 HydrophobicContact CB-CG 4.42Å; V273-P279 HydrophobicContact CG1-CG 3.72Å; V273-P279 HydrophobicContact CG2-CG 3.88Å; P279-A325 HydrophobicContact CB-CB 4.19Å; P279-R326 CarbonylContact C-O 3.56Å; P279-R326 VanDerWaalsContact CA-O 3.3Å; P279-R326 WeakPolarHBondContact CA-O 3.1Å; P279-N327 HydrophobicContact CB-CB 4.44Å
280D94.4Very high94.1Very high118 Ų11855.7 Ų55.763%0.63132%0.317SS*.EExtended strand (participates in β ladder)trans-73.5148.4162-177.134.1000109.4A325 R326D280-A325 CarbonylContact O-C 3.58Å; D280-A325 VanDerWaalsContact O-CA 3.28Å; D280-A325 WeakPolarHBondContact O-CA 3.48Å; D280-R326 PolarHBondContact N-O 3.03Å; D280-R326 PolarHBondContact O-N 3.01Å
281V95.4Very high93.7Very high14 Ų1460.7 Ų60.79%0.08534%0.339CS..EExtended strand (participates in β ladder)trans-133.1122.4-173-175.60000111.6F271 V273 M298 C323 V324 A325F271-V281 HydrophobicContact CE2-CG1 3.85Å; F271-V281 HydrophobicContact CE2-CG2 4.45Å; F271-V281 HydrophobicContact CZ-CG1 3.71Å; V273-V281 HydrophobicContact CG1-CG2 4.11Å; V281-M298 VanDerWaalsContact O-CE 3.3Å; V281-M298 WeakPolarHBondContact O-CE 3.39Å; V281-C323 WeakPolarHBondContact CG1-SG 2.82Å; V281-V324 WeakPolarHBondContact CA-O 3.17Å; V281-A325 HydrophobicContact CG2-CB 4.11Å
282S95Very high93.2Very high45 Ų4564.9 Ų64.932%0.31537%0.369SS..EExtended strand (participates in β ladder)trans-119.8141.4177.7-69.80000111.3V324S282-V324 PolarHBondContact N-O 3.07Å; S282-V324 PolarHBondContact O-N 2.91Å
283W96.3Very high92.6Very high3 Ų364.6 Ų64.61%0.01137%0.371CS..EExtended strand (participates in β ladder)trans-107.9148.2174.2-78.593.4000111.6M269 F271 P289 V290 L308 Y321 A322 C323 F334 V336M269-W283 HydrophobicContact SD-CH2 4.14Å; M269-W283 HydrophobicContact SD-CZ3 4.39Å; F271-W283 AromaticContact CD1-CZ2 3.78Å; F271-W283 HydrophobicContact CD1-CZ2 3.78Å; F271-W283 AromaticContact CE1-CE2 3.87Å; F271-W283 AromaticContact CE1-CZ2 3.57Å; F271-W283 HydrophobicContact CE1-CZ2 3.57Å; F271-W283 AromaticContact CE1-NE1 3.59Å; F271-W283 HydrophobicContact CZ-CZ2 4.28Å; F271-W283 AromaticContact CZ-NE1 3.78Å; W283-P289 WeakPolarHBondContact O-CA 3.45Å; W283-V290 HydrophobicContact CB-CB 3.95Å; W283-V290 HydrophobicContact CB-CG2 4.08Å; W283-V290 PolarHBondContact O-N 3.23Å; W283-L308 HydrophobicContact CD2-CD2 3.82Å; W283-L308 HydrophobicContact CE3-CD2 4.16Å; W283-L308 HydrophobicContact CG-CD2 4.03Å; W283-L308 HydrophobicContact CZ2-CB 4.13Å; W283-L308 HydrophobicContact CZ2-CD2 4.4Å; W283-Y321 HydrophobicContact CE3-CD1 4.24Å; W283-Y321 HydrophobicContact CE3-CG 4.49Å; W283-A322 CarbonylContact C-O 3.58Å; W283-A322 WeakPolarHBondContact CA-O 3.47Å; W283-C323 HydrophobicContact CD2-CB 3.78Å; W283-C323 HydrophobicContact CE3-CB 3.66Å; W283-C323 HydrophobicContact CH2-CB 3.78Å; W283-C323 HydrophobicContact CZ2-CB 3.83Å; W283-C323 HydrophobicContact CZ3-CB 3.66Å; W283-F334 AromaticContact CH2-CE2 3.64Å; W283-F334 HydrophobicContact CH2-CE2 3.64Å; W283-F334 AromaticContact CH2-CZ 3.47Å; W283-F334 HydrophobicContact CH2-CZ 3.47Å; W283-F334 VanDerWaalsContact CH2-CZ 3.47Å; W283-F334 HydrophobicContact CZ2-CE2 4.48Å; W283-F334 AromaticContact CZ2-CZ 3.88Å; W283-F334 HydrophobicContact CZ2-CZ 3.88Å; W283-F334 HydrophobicContact CZ3-CE2 4.1Å; W283-F334 HydrophobicContact CZ3-CZ 4.23Å; W283-V336 HydrophobicContact CH2-CG1 4.14Å; W283-V336 HydrophobicContact CZ3-CG1 3.94Å
284Y95.5Very high91.8Very high80 Ų8070.6 Ų70.631%0.31440%0.402SS..EExtended strand (participates in β ladder)trans-134.6125.5177.7-59.2-99.7000110.5R288 P289 Y321 A322 V324Y284-R288 CarbonylContact C-O 3.5Å; Y284-R288 WeakPolarHBondContact CA-O 3.42Å; Y284-P289 HydrophobicContact CD1-CB 4.17Å; Y284-P289 HydrophobicContact CE1-CB 4.08Å; Y284-Y321 CarbonylContact O-C 3.59Å; Y284-Y321 VanDerWaalsContact O-CA 3.32Å; Y284-Y321 WeakPolarHBondContact O-CA 3.34Å; Y284-A322 PolarHBondContact N-O 3.4Å; Y284-A322 PolarHBondContact O-N 2.97Å; Y284-V324 HydrophobicContact CD2-CG2 3.9Å; Y284-V324 HydrophobicContact CE2-CB 4.1Å; Y284-V324 HydrophobicContact CE2-CG2 3.69Å
285L94.6Very high91.3Very high33 Ų3371 Ų7117%0.17340%0.402CS..EExtended strand (participates in β ladder)trans-97.4118.6171.2171.758.6000108.8G287 R288 V290 Y321L285-G287 PolarHBondContact O-N 3.16Å; L285-G287 VanDerWaalsContact O-N 3.09Å; L285-R288 PolarHBondContact N-O 3.29Å; L285-R288 PolarHBondContact O-N 3.47Å; L285-V290 HydrophobicContact CB-CG2 3.85Å; L285-Y321 HydrophobicContact CB-CD1 4.31Å; L285-Y321 HydrophobicContact CB-CE1 3.97Å; L285-Y321 HydrophobicContact CD1-CD2 4.03Å; L285-Y321 HydrophobicContact CD1-CE1 4.3Å; L285-Y321 HydrophobicContact CD1-CE2 3.65Å; L285-Y321 HydrophobicContact CD1-CG 4.49Å; L285-Y321 HydrophobicContact CG-CE1 4.48Å
286N88.6Confident91.1Very high107 Ų10771.6 Ų71.657%0.57240%0.402SS*.THydrogen-bonded Turntrans50.637.2179-55.5-38.6000112.7A320N286-A320 PolarHBondContact N-O 2.82Å; N286-A320 PolarHBondContact OD1-N 2.83Å; N286-A320 VanDerWaalsContact OD1-N 3.13Å
287G87.6Confident91Very high67 Ų6771.8 Ų71.869%0.69140%0.4SS*.THydrogen-bonded Turntrans83.6-0.8-178.500000116.4L285L285-G287 PolarHBondContact O-N 3.16Å; L285-G287 VanDerWaalsContact O-N 3.09Å
288R92.8Very high90.9Very high197 Ų19773.2 Ų73.274%0.74340%0.404SS*.EExtended strand (participates in β ladder)trans-102.1136.6176.1-61.7-177179.5-171-0.3110.9Y284 L285 V290Y284-R288 CarbonylContact C-O 3.5Å; Y284-R288 WeakPolarHBondContact CA-O 3.42Å; L285-R288 PolarHBondContact N-O 3.29Å; L285-R288 PolarHBondContact O-N 3.47Å; R288-V290 PolarHBondContact O-N 2.87Å
289P93.1Very high90.9Very high89 Ų8973.6 Ų73.658%0.57840%0.395SS*.EExtended strand (participates in β ladder)trans-62.6130.5-179.226.5-34.5000111.1W283 Y284W283-P289 WeakPolarHBondContact O-CA 3.45Å; Y284-P289 HydrophobicContact CD1-CB 4.17Å; Y284-P289 HydrophobicContact CE1-CB 4.08Å
290V92.3Very high90.7Very high25 Ų2577 Ų7715%0.15242%0.415CS..PPolyproline II helixtrans-80.1120.6171.1-177.90000107.3W283 L285 R288 H296 Y321W283-V290 HydrophobicContact CB-CB 3.95Å; W283-V290 HydrophobicContact CB-CG2 4.08Å; W283-V290 PolarHBondContact O-N 3.23Å; L285-V290 HydrophobicContact CB-CG2 3.85Å; R288-V290 PolarHBondContact O-N 2.87Å; V290-H296 HydrophobicContact CG1-CB 4.44Å; V290-Y321 HydrophobicContact CG2-CD1 4.13Å; V290-Y321 HydrophobicContact CG2-CE1 3.88Å
291Q86.8Confident90.4Very high151 Ų15173.6 Ų73.671%0.70640%0.401SS*.PPolyproline II helixtrans-87.5147.7174.5-65.7-169.3-13.600110.2D293Q291-D293 PolarHBondContact O-N 2.8Å
292S85.7Confident89.7Confident91 Ų9182.9 Ų82.964%0.63644%0.443SS*.  trans-72.3112165.957.20000109.2H296S292-H296 CarbonylContact C-O 3.5Å; S292-H296 VanDerWaalsContact CA-O 3.27Å; S292-H296 WeakPolarHBondContact CA-O 3.45Å
293D85.2Confident89.1Confident73 Ų7390.3 Ų90.339%0.3947%0.47SS..  trans-128.3-172179.469.628000110.9Q291 L295 H296Q291-D293 PolarHBondContact O-N 2.8Å; D293-L295 PolarHBondContact O-N 2.91Å; D293-L295 WeakPolarHBondContact OD1-CA 3.34Å; D293-L295 VanDerWaalsContact OD1-CB 3.3Å; D293-L295 WeakPolarHBondContact OD1-CB 3.27Å; D293-L295 PolarHBondContact OD1-N 3.04Å; D293-H296 PolarHBondContact N-O 2.8Å; D293-H296 WeakPolarHBondContact OD1-CB 3.46Å; D293-H296 IonicContact OD1-CG 3.2Å; D293-H296 PolarHBondContact OD1-N 2.88Å; D293-H296 IonicContact OD1-ND1 3.37Å; D293-H296 PolarHBondContact OD1-ND1 2.88Å; D293-H296 VanDerWaalsContact OD1-ND1 3.09Å; D293-H296 IonicContact OD2-CE1 2.68Å; D293-H296 IonicContact OD2-ND1 3.81Å; D293-H296 PolarHBondContact OD2-ND1 3.26Å; D293-H296 VanDerWaalsContact OD2-ND1 3.1Å
294D80.1Confident88.5Confident142 Ų14291.8 Ų91.876%0.75949%0.486SS*.SBendtrans-62.3-21.2-179.9-72.7-34.6000113.7K297D294-K297 WeakPolarHBondContact O-CE 3.42Å; D294-K297 PolarHBondContact O-NZ 3.44Å
295L83.4Confident88.4Confident43 Ų4389.6 Ų89.623%0.22548%0.479CS..SBendtrans-101.8-37.6-175.9-52.8165.1000111.4D293 F310 E311 R314D293-L295 PolarHBondContact O-N 2.91Å; D293-L295 WeakPolarHBondContact OD1-CA 3.34Å; D293-L295 VanDerWaalsContact OD1-CB 3.3Å; D293-L295 WeakPolarHBondContact OD1-CB 3.27Å; D293-L295 PolarHBondContact OD1-N 3.04Å; L295-F310 WeakPolarHBondContact O-CA 3.35Å; L295-E311 PolarHBondContact O-N 2.77Å; L295-R314 VanDerWaalsContact CD1-NH2 3.31Å
296H90.4Very high88.5Confident22 Ų2289.3 Ų89.310%0.10248%0.477CS..EExtended strand (participates in β ladder)trans-107.7100.4-175.4-59.499.3000110.6V290 S292 D293 I309 F310V290-H296 HydrophobicContact CG1-CB 4.44Å; S292-H296 CarbonylContact C-O 3.5Å; S292-H296 VanDerWaalsContact CA-O 3.27Å; S292-H296 WeakPolarHBondContact CA-O 3.45Å; D293-H296 PolarHBondContact N-O 2.8Å; D293-H296 WeakPolarHBondContact OD1-CB 3.46Å; D293-H296 IonicContact OD1-CG 3.2Å; D293-H296 PolarHBondContact OD1-N 2.88Å; D293-H296 IonicContact OD1-ND1 3.37Å; D293-H296 PolarHBondContact OD1-ND1 2.88Å; D293-H296 VanDerWaalsContact OD1-ND1 3.09Å; D293-H296 IonicContact OD2-CE1 2.68Å; D293-H296 IonicContact OD2-ND1 3.81Å; D293-H296 PolarHBondContact OD2-ND1 3.26Å; D293-H296 VanDerWaalsContact OD2-ND1 3.1Å; H296-I309 CarbonylContact C-O 3.55Å; H296-I309 WeakPolarHBondContact CA-O 3.34Å; H296-F310 AromaticContact CD2-CD1 3.37Å; H296-F310 WeakPolarHBondContact CD2-CD1 3.36Å; H296-F310 AromaticContact CD2-CE1 3.4Å; H296-F310 WeakPolarHBondContact CD2-CE1 3.39Å; H296-F310 AromaticContact NE2-CD1 3.51Å; H296-F310 AromaticContact NE2-CE1 3.55Å
297K91.4Very high88.8Confident77 Ų7784.3 Ų84.334%0.33545%0.451SS..EExtended strand (participates in β ladder)trans-107.8116.1-175.5-72.5160.6-172.1162.70110.4D294 I309 E311D294-K297 WeakPolarHBondContact O-CE 3.42Å; D294-K297 PolarHBondContact O-NZ 3.44Å; K297-I309 HydrophobicContact CB-CB 4.24Å; K297-I309 PolarHBondContact N-O 2.91Å; K297-I309 WeakPolarHBondContact O-CB 3.41Å; K297-I309 PolarHBondContact O-N 3.2Å; K297-E311 IonicContact NZ-OE2 3.1Å; K297-E311 PolarHBondContact NZ-OE2 3.04Å
298M92.9Very high89.2Confident68 Ų6881.1 Ų81.134%0.33542%0.418SS..EExtended strand (participates in β ladder)trans-94.9117.3171.3-71.8173.554.200109.1V281 S307 L308V281-M298 VanDerWaalsContact O-CE 3.3Å; V281-M298 WeakPolarHBondContact O-CE 3.39Å; M298-S307 WeakPolarHBondContact CA-O 3.46Å; M298-L308 HydrophobicContact CG-CD1 3.73Å
299I91.6Very high89.3Confident81 Ų8172.7 Ų72.742%0.41539%0.387SS..EExtended strand (participates in β ladder)trans-128150.318065.5168.9000111.7H306 S307 I309I299-H306 CarbonylContact O-C 3.58Å; I299-H306 WeakPolarHBondContact O-CA 3.35Å; I299-S307 PolarHBondContact N-O 2.78Å; I299-S307 PolarHBondContact O-N 2.88Å; I299-I309 HydrophobicContact CD1-CD1 3.57Å; I299-I309 HydrophobicContact CG1-CD1 3.89Å
300V91.7Very high89.4Confident91 Ų9168.5 Ų68.555%0.55236%0.36SS*.EExtended strand (participates in β ladder)trans-122.8122.1171.4-168.80000108H306V300-H306 WeakPolarHBondContact CG2-ND1 3.2Å
301S87.4Confident89.4Confident47 Ų4772.3 Ų72.333%0.32938%0.376SS..  trans-77158.8176.5650000111.8K303 G304 L305S301-K303 PolarHBondContact O-N 2.87Å; S301-G304 PolarHBondContact O-N 2.86Å; S301-L305 PolarHBondContact N-O 2.87Å; S301-L305 WeakPolarHBondContact OG-CB 3.04Å; S301-L305 PolarHBondContact OG-N 2.85Å; S301-L305 VanDerWaalsContact OG-N 3.11Å; S301-L305 PolarHBondContact OG-O 2.8Å
302E80.8Confident89.6Confident209 Ų20968.2 Ų68.298%0.97736%0.361SS*.THydrogen-bonded Turntrans-56.4-18.6175.5-58.3-176.6159.200114
303K82.8Confident89.9Confident201 Ų20164 Ų6487%0.87433%0.331SS*.THydrogen-bonded Turntrans-94.99.2179-59.4-175.5-178.6-179.50113.6S301 L305S301-K303 PolarHBondContact O-N 2.87Å; K303-L305 VanDerWaalsContact C-N 3.29Å; K303-L305 PolarHBondContact O-N 3.43Å
304G85Confident90.2Very high33 Ų3366 Ų6634%0.3433%0.334SS..SBendtrans71.517.1-179.700000114.9S301 H306S301-G304 PolarHBondContact O-N 2.86Å; G304-H306 PolarHBondContact O-CD2 2.83Å
305L92.6Very high90.7Very high35 Ų3562.1 Ų62.118%0.18332%0.321CS..  trans-83.4122.7164.9-17574000108.6D270 K272 S301 K303D270-L305 HydrophobicContact CB-CD1 4.2Å; D270-L305 HydrophobicContact CB-CD2 4.45Å; K272-L305 HydrophobicContact CD-CD1 4.35Å; K272-L305 HydrophobicContact CG-CD1 3.69Å; S301-L305 PolarHBondContact N-O 2.87Å; S301-L305 WeakPolarHBondContact OG-CB 3.04Å; S301-L305 PolarHBondContact OG-N 2.85Å; S301-L305 VanDerWaalsContact OG-N 3.11Å; S301-L305 PolarHBondContact OG-O 2.8Å; K303-L305 VanDerWaalsContact C-N 3.29Å; K303-L305 PolarHBondContact O-N 3.43Å
306H95.6Very high91.1Very high26 Ų2663.9 Ų63.912%0.1234%0.337CS..EExtended strand (participates in β ladder)trans-95.8147.1173.8-62.5-120.2000109.4D270 F271 I299 V300 G304D270-H306 WeakPolarHBondContact CA-O 3.32Å; F271-H306 HydrophobicContact CD1-CB 3.91Å; F271-H306 HydrophobicContact CD2-CB 3.94Å; F271-H306 HydrophobicContact CE1-CB 3.46Å; F271-H306 VanDerWaalsContact CE1-CB 3.46Å; F271-H306 HydrophobicContact CE2-CB 3.5Å; F271-H306 AromaticContact CE2-CG 3.83Å; F271-H306 HydrophobicContact CG-CB 4.12Å; F271-H306 HydrophobicContact CZ-CB 3.25Å; F271-H306 AromaticContact CZ-CG 3.91Å; F271-H306 PolarHBondContact N-O 2.92Å; F271-H306 PolarHBondContact O-N 2.92Å; I299-H306 CarbonylContact O-C 3.58Å; I299-H306 WeakPolarHBondContact O-CA 3.35Å; V300-H306 WeakPolarHBondContact CG2-ND1 3.2Å; G304-H306 PolarHBondContact O-CD2 2.83Å
307S95.8Very high91.2Very high3 Ų363.3 Ų63.32%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-141129.9-178.5-51.60000111.2R268 M269 D270 M298 I299R268-S307 PolarHBondContact NE-OG 3.2Å; R268-S307 PolarHBondContact NH2-OG 3.31Å; M269-S307 VanDerWaalsContact O-CA 3.32Å; M269-S307 WeakPolarHBondContact O-CA 3.5Å; D270-S307 WeakPolarHBondContact OD1-CB 3.19Å; D270-S307 PolarHBondContact OD1-OG 2.99Å; M298-S307 WeakPolarHBondContact CA-O 3.46Å; I299-S307 PolarHBondContact N-O 2.78Å; I299-S307 PolarHBondContact O-N 2.88Å
308L95.7Very high91.4Very high0 Ų061.4 Ų61.40%033%0.333CS..EExtended strand (participates in β ladder)trans-96.8121.4160174.864.2000107.9R268 M269 W283 M298 F310 Y321R268-L308 WeakPolarHBondContact CA-O 3.47Å; M269-L308 HydrophobicContact CB-CB 4.32Å; M269-L308 PolarHBondContact N-O 3.25Å; M269-L308 PolarHBondContact O-N 3.03Å; M269-L308 HydrophobicContact SD-CD2 4.1Å; W283-L308 HydrophobicContact CD2-CD2 3.82Å; W283-L308 HydrophobicContact CE3-CD2 4.16Å; W283-L308 HydrophobicContact CG-CD2 4.03Å; W283-L308 HydrophobicContact CZ2-CB 4.13Å; W283-L308 HydrophobicContact CZ2-CD2 4.4Å; M298-L308 HydrophobicContact CG-CD1 3.73Å; L308-F310 HydrophobicContact CD2-CE2 3.95Å; L308-F310 HydrophobicContact CD2-CZ 3.88Å; L308-F310 HydrophobicContact CG-CE2 3.85Å; L308-F310 HydrophobicContact CG-CZ 4.17Å; L308-Y321 HydrophobicContact CD2-CD1 4.04Å; L308-Y321 HydrophobicContact CD2-CE1 4.19Å
309I95.4Very high91.5Very high19 Ų1958.6 Ų58.610%0.09732%0.321CS..EExtended strand (participates in β ladder)trans-119.4132.8-172.8-65.5171.7000109.5F266 C267 R268 H296 K297 I299F266-I309 HydrophobicContact CD2-CG2 4.37Å; F266-I309 HydrophobicContact CE2-CG2 3.39Å; F266-I309 HydrophobicContact CZ-CG2 3.68Å; C267-I309 WeakPolarHBondContact O-CA 3.29Å; R268-I309 HydrophobicContact CB-CG1 4.26Å; R268-I309 HydrophobicContact CG-CG1 3.93Å; H296-I309 CarbonylContact C-O 3.55Å; H296-I309 WeakPolarHBondContact CA-O 3.34Å; K297-I309 HydrophobicContact CB-CB 4.24Å; K297-I309 PolarHBondContact N-O 2.91Å; K297-I309 WeakPolarHBondContact O-CB 3.41Å; K297-I309 PolarHBondContact O-N 3.2Å; I299-I309 HydrophobicContact CD1-CD1 3.57Å; I299-I309 HydrophobicContact CG1-CD1 3.89Å
310F94.7Very high91.7Very high2 Ų256.7 Ų56.71%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-111.1116.8171.5-51.3-112.3000107.4C267 M269 L295 H296 L308 V312 V313 D317 Y321 L338C267-F310 HydrophobicContact CB-CB 3.99Å; C267-F310 HydrophobicContact CB-CD2 3.91Å; C267-F310 HydrophobicContact CB-CG 4.23Å; C267-F310 PolarHBondContact N-O 2.83Å; C267-F310 PolarHBondContact O-N 2.94Å; C267-F310 WeakPolarHBondContact SG-CD2 3.42Å; M269-F310 HydrophobicContact CE-CE2 3.87Å; M269-F310 HydrophobicContact CE-CZ 4.13Å; M269-F310 HydrophobicContact SD-CE2 4.15Å; L295-F310 WeakPolarHBondContact O-CA 3.35Å; H296-F310 AromaticContact CD2-CD1 3.37Å; H296-F310 WeakPolarHBondContact CD2-CD1 3.36Å; H296-F310 AromaticContact CD2-CE1 3.4Å; H296-F310 WeakPolarHBondContact CD2-CE1 3.39Å; H296-F310 AromaticContact NE2-CD1 3.51Å; H296-F310 AromaticContact NE2-CE1 3.55Å; L308-F310 HydrophobicContact CD2-CE2 3.95Å; L308-F310 HydrophobicContact CD2-CZ 3.88Å; L308-F310 HydrophobicContact CG-CE2 3.85Å; L308-F310 HydrophobicContact CG-CZ 4.17Å; F310-V312 VanDerWaalsContact C-N 3.34Å; F310-V313 HydrophobicContact CB-CG2 3.83Å; F310-V313 HydrophobicContact CG-CG2 4.3Å; F310-D317 HydrophobicContact CD1-CB 4.27Å; F310-D317 HydrophobicContact CE1-CB 4.1Å; F310-Y321 HydrophobicContact CE1-CE1 4.24Å; F310-Y321 AromaticContact CE1-CZ 3.86Å; F310-Y321 VanDerWaalsContact CE1-OH 3.27Å; F310-Y321 WeakPolarHBondContact CE1-OH 3.2Å; F310-Y321 AromaticContact CZ-CE1 3.79Å; F310-Y321 HydrophobicContact CZ-CE1 3.79Å; F310-Y321 HydrophobicContact CZ-CE2 4.28Å; F310-Y321 AromaticContact CZ-CZ 3.61Å; F310-L338 HydrophobicContact CE1-CD2 4.27Å; F310-L338 HydrophobicContact CE2-CD2 4.35Å; F310-L338 HydrophobicContact CZ-CD2 4.02Å
311E91.9Very high92Very high104 Ų10452.4 Ų52.449%0.48629%0.292SS..SBendtrans-67.6-39.4179.9-169.4166.1142.500111.5L295 K297L295-E311 PolarHBondContact O-N 2.77Å; K297-E311 IonicContact NZ-OE2 3.1Å; K297-E311 PolarHBondContact NZ-OE2 3.04Å
312V91.1Very high92.4Very high66 Ų6651.3 Ų51.340%0.429%0.286SS..SBendtrans-144.2104.3176.5-176.20000108.6R265 F310R265-V312 WeakPolarHBondContact O-CA 3.42Å; F310-V312 VanDerWaalsContact C-N 3.34Å
313V93.2Very high93.2Very high1 Ų141.3 Ų41.31%0.00624%0.239CC..  trans-64136.4176.8175.10000110.9I261 G264 R265 C267 F310 V340I261-V313 HydrophobicContact CG2-CB 4.47Å; I261-V313 HydrophobicContact CG2-CG2 4.19Å; G264-V313 PolarHBondContact N-O 2.77Å; R265-V313 WeakPolarHBondContact O-CG2 3.14Å; R265-V313 PolarHBondContact O-N 3.32Å; C267-V313 HydrophobicContact CB-CG2 3.31Å; F310-V313 HydrophobicContact CB-CG2 3.83Å; F310-V313 HydrophobicContact CG-CG2 4.3Å; V313-V340 HydrophobicContact CG1-CB 4.22Å; V313-V340 HydrophobicContact CG1-CG1 3.73Å; V313-V340 HydrophobicContact CG1-CG2 3.43Å; V313-V340 VanDerWaalsContact CG1-CG2 3.43Å
314R91.6Very high93.9Very high117 Ų11732.9 Ų32.944%0.44220%0.204SC..  trans-120.4159.3178.3-60.9173177.1-179.4-0.6110.9L295 S316 D317L295-R314 VanDerWaalsContact CD1-NH2 3.31Å; R314-S316 WeakPolarHBondContact CB-OG 3.45Å; R314-S316 PolarHBondContact O-N 2.95Å; R314-S316 VanDerWaalsContact O-N 3.07Å; R314-D317 WeakPolarHBondContact CB-OD2 3.33Å; R314-D317 PolarHBondContact N-OD2 2.97Å; R314-D317 WeakPolarHBondContact O-CB 3.34Å; R314-D317 PolarHBondContact O-N 3.19Å
315A90.6Very high94.5Very high59 Ų5931.3 Ų31.349%0.48819%0.188SC..G310 helixtrans-56.4-23.9172.100000114E263 D317E263-A315 WeakPolarHBondContact OE1-CB 3.42Å; E263-A315 PolarHBondContact OE1-N 2.77Å; A315-D317 PolarHBondContact O-N 3.14Å
316S91.2Very high94.8Very high81 Ų8137.2 Ų37.257%0.56621%0.208SC*.G310 helixtrans-67.5-20.2173.249.30000114.6R314 A318R314-S316 WeakPolarHBondContact CB-OG 3.45Å; R314-S316 PolarHBondContact O-N 2.95Å; R314-S316 VanDerWaalsContact O-N 3.07Å; S316-A318 VanDerWaalsContact C-N 3.31Å
317D92.8Very high94.8Very high9 Ų937 Ų375%0.04821%0.208CC..G310 helixtrans-95.14-170.2-42.9-16.3000110.3F310 R314 A315 Y321 L338F310-D317 HydrophobicContact CD1-CB 4.27Å; F310-D317 HydrophobicContact CE1-CB 4.1Å; R314-D317 WeakPolarHBondContact CB-OD2 3.33Å; R314-D317 PolarHBondContact N-OD2 2.97Å; R314-D317 WeakPolarHBondContact O-CB 3.34Å; R314-D317 PolarHBondContact O-N 3.19Å; A315-D317 PolarHBondContact O-N 3.14Å; D317-Y321 VanDerWaalsContact O-CE2 3.26Å; D317-Y321 WeakPolarHBondContact O-CE2 3.37Å; D317-Y321 PolarHBondContact O-OH 2.93Å; D317-L338 WeakPolarHBondContact O-CD2 3.46Å
318A94.8Very high94.8Very high37 Ų3744.6 Ų44.631%0.30624%0.236SC..  trans-75.5138.5174.600000111.7S316 L338 V340S316-A318 VanDerWaalsContact C-N 3.31Å; A318-L338 CarbonylContact C-O 3.53Å; A318-L338 WeakPolarHBondContact CA-O 3.35Å; A318-V340 HydrophobicContact CB-CB 4.06Å; A318-V340 HydrophobicContact CB-CG2 3.84Å
319G95.1Very high94.8Very high9 Ų946.7 Ų46.79%0.09325%0.253CS..EExtended strand (participates in β ladder)trans144.3-167.4172.200000114.6Q337 L338G319-Q337 PolarHBondContact O-OE1 2.85Å; G319-L338 PolarHBondContact N-O 2.94Å; G319-L338 PolarHBondContact O-N 2.91Å
320A96.5Very high94.8Very high41 Ų4147.1 Ų47.134%0.33926%0.262SS..EExtended strand (participates in β ladder)trans-88115.7179.700000110N286N286-A320 PolarHBondContact N-O 2.82Å; N286-A320 PolarHBondContact OD1-N 2.83Å; N286-A320 VanDerWaalsContact OD1-N 3.13Å
321Y96.8Very high95Very high1 Ų151.7 Ų51.70%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-94.5120.1173.6-75.9-96.5000110M269 W283 Y284 L285 V290 L308 F310 D317 T335 V336 L338M269-Y321 HydrophobicContact CE-CD2 4.1Å; M269-Y321 HydrophobicContact CE-CE2 4.38Å; M269-Y321 HydrophobicContact CE-CG 4.43Å; W283-Y321 HydrophobicContact CE3-CD1 4.24Å; W283-Y321 HydrophobicContact CE3-CG 4.49Å; Y284-Y321 CarbonylContact O-C 3.59Å; Y284-Y321 VanDerWaalsContact O-CA 3.32Å; Y284-Y321 WeakPolarHBondContact O-CA 3.34Å; L285-Y321 HydrophobicContact CB-CD1 4.31Å; L285-Y321 HydrophobicContact CB-CE1 3.97Å; L285-Y321 HydrophobicContact CD1-CD2 4.03Å; L285-Y321 HydrophobicContact CD1-CE1 4.3Å; L285-Y321 HydrophobicContact CD1-CE2 3.65Å; L285-Y321 HydrophobicContact CD1-CG 4.49Å; L285-Y321 HydrophobicContact CG-CE1 4.48Å; V290-Y321 HydrophobicContact CG2-CD1 4.13Å; V290-Y321 HydrophobicContact CG2-CE1 3.88Å; L308-Y321 HydrophobicContact CD2-CD1 4.04Å; L308-Y321 HydrophobicContact CD2-CE1 4.19Å; F310-Y321 HydrophobicContact CE1-CE1 4.24Å; F310-Y321 AromaticContact CE1-CZ 3.86Å; F310-Y321 VanDerWaalsContact CE1-OH 3.27Å; F310-Y321 WeakPolarHBondContact CE1-OH 3.2Å; F310-Y321 AromaticContact CZ-CE1 3.79Å; F310-Y321 HydrophobicContact CZ-CE1 3.79Å; F310-Y321 HydrophobicContact CZ-CE2 4.28Å; F310-Y321 AromaticContact CZ-CZ 3.61Å; D317-Y321 VanDerWaalsContact O-CE2 3.26Å; D317-Y321 WeakPolarHBondContact O-CE2 3.37Å; D317-Y321 PolarHBondContact O-OH 2.93Å; Y321-T335 CarbonylContact O-C 3.54Å; Y321-T335 VanDerWaalsContact O-CA 3.27Å; Y321-T335 WeakPolarHBondContact O-CA 3.46Å; Y321-V336 PolarHBondContact N-O 2.91Å; Y321-V336 PolarHBondContact O-N 3.37Å; Y321-L338 HydrophobicContact CD2-CB 4.01Å; Y321-L338 HydrophobicContact CE2-CB 3.84Å; Y321-L338 HydrophobicContact CE2-CD2 3.95Å; Y321-L338 HydrophobicContact CE2-CG 4.46Å
322A97.3Very high95.3Very high24 Ų2447.8 Ų47.820%0.19827%0.269CS..EExtended strand (participates in β ladder)trans-100126.517000000110.1W283 Y284 T333 F334 T335W283-A322 CarbonylContact C-O 3.58Å; W283-A322 WeakPolarHBondContact CA-O 3.47Å; Y284-A322 PolarHBondContact N-O 3.4Å; Y284-A322 PolarHBondContact O-N 2.97Å; A322-T333 HydrophobicContact CB-CG2 4.4Å; A322-F334 CarbonylContact C-O 3.37Å; A322-F334 WeakPolarHBondContact CA-O 3.35Å; A322-T335 HydrophobicContact CB-CG2 3.97Å
323C97.3Very high95.6Very high0 Ų048.4 Ų48.40%027%0.273CS..EExtended strand (participates in β ladder)trans-103.6119.2172.8-177.60000108.8V281 W283 T333 F334V281-C323 WeakPolarHBondContact CG1-SG 2.82Å; W283-C323 HydrophobicContact CD2-CB 3.78Å; W283-C323 HydrophobicContact CE3-CB 3.66Å; W283-C323 HydrophobicContact CH2-CB 3.78Å; W283-C323 HydrophobicContact CZ2-CB 3.83Å; W283-C323 HydrophobicContact CZ3-CB 3.66Å; C323-T333 VanDerWaalsContact O-CA 3.26Å; C323-T333 WeakPolarHBondContact O-CA 3.41Å; C323-F334 HydrophobicContact CB-CD1 3.77Å; C323-F334 HydrophobicContact CB-CD2 4.36Å; C323-F334 HydrophobicContact CB-CE1 3.34Å; C323-F334 HydrophobicContact CB-CE2 3.96Å; C323-F334 HydrophobicContact CB-CG 4.27Å; C323-F334 HydrophobicContact CB-CZ 3.44Å; C323-F334 VanDerWaalsContact CB-CZ 3.44Å; C323-F334 PolarHBondContact N-O 2.81Å; C323-F334 PolarHBondContact O-N 2.9Å
324V97.7Very high95.8Very high24 Ų2449.3 Ų49.315%0.14528%0.277CS..EExtended strand (participates in β ladder)trans-110.5122.9179.5-176.30000108.5V281 S282 Y284 E331 T333V281-V324 WeakPolarHBondContact CA-O 3.17Å; S282-V324 PolarHBondContact N-O 3.07Å; S282-V324 PolarHBondContact O-N 2.91Å; Y284-V324 HydrophobicContact CD2-CG2 3.9Å; Y284-V324 HydrophobicContact CE2-CB 4.1Å; Y284-V324 HydrophobicContact CE2-CG2 3.69Å; V324-E331 HydrophobicContact CG1-CG 3.62Å; V324-T333 HydrophobicContact CG2-CG2 3.98Å
325A97.8Very high96.1Very high0 Ų048.8 Ų48.80%029%0.287CS..EExtended strand (participates in β ladder)trans-112.6129.6174.900000110P250 F252 V273 P279 D280 V281 E331 A332P250-A325 HydrophobicContact CB-CB 3.93Å; P250-A325 WeakPolarHBondContact CG-O 3.4Å; F252-A325 HydrophobicContact CE1-CB 4.06Å; F252-A325 HydrophobicContact CE2-CB 4.28Å; F252-A325 HydrophobicContact CZ-CB 3.56Å; V273-A325 HydrophobicContact CG2-CB 3.8Å; P279-A325 HydrophobicContact CB-CB 4.19Å; D280-A325 CarbonylContact O-C 3.58Å; D280-A325 VanDerWaalsContact O-CA 3.28Å; D280-A325 WeakPolarHBondContact O-CA 3.48Å; V281-A325 HydrophobicContact CG2-CB 4.11Å; A325-E331 CarbonylContact O-C 3.6Å; A325-E331 VanDerWaalsContact O-CA 3.31Å; A325-E331 WeakPolarHBondContact O-CA 3.15Å; A325-A332 PolarHBondContact N-O 3.14Å; A325-A332 PolarHBondContact O-N 2.99Å
326R97.8Very high96.4Very high159 Ų15946 Ų4660%0.626%0.264SS*.EExtended strand (participates in β ladder)trans-134.9138.3-171.3-169.1179.5177.3116.7-7.9112.4P279 D280 E331P279-R326 CarbonylContact C-O 3.56Å; P279-R326 VanDerWaalsContact CA-O 3.3Å; P279-R326 WeakPolarHBondContact CA-O 3.1Å; D280-R326 PolarHBondContact N-O 3.03Å; D280-R326 PolarHBondContact O-N 3.01Å; R326-E331 HydrophobicContact CB-CG 4.3Å; R326-E331 WeakPolarHBondContact CD-OE2 3.34Å; R326-E331 HydrophobicContact CG-CB 4.42Å; R326-E331 HydrophobicContact CG-CG 4.41Å; R326-E331 IonicContact CZ-OE2 2.66Å; R326-E331 IonicContact NE-OE2 2.75Å; R326-E331 IonicContact NH1-OE2 3.7Å; R326-E331 PolarHBondContact NH1-OE2 2.98Å
327N96.8Very high96.7Very high21 Ų2145.1 Ų45.111%0.11225%0.251CS..EExtended strand (participates in β ladder)trans-142.7-178167.77510.4000110.7Y248 P250 L276 P277 P279 A329 G330Y248-N327 PolarHBondContact O-ND2 2.76Å; P250-N327 WeakPolarHBondContact CD-OD1 3.41Å; P250-N327 HydrophobicContact CG-CB 4.29Å; L276-N327 PolarHBondContact N-ND2 2.85Å; P277-N327 WeakPolarHBondContact O-CB 3.18Å; P277-N327 PolarHBondContact O-ND2 2.89Å; P279-N327 HydrophobicContact CB-CB 4.44Å; N327-A329 PolarHBondContact O-N 3.21Å; N327-A329 VanDerWaalsContact O-N 3.15Å; N327-A329 WeakPolarHBondContact OD1-CA 3.33Å; N327-A329 WeakPolarHBondContact OD1-CB 3.39Å; N327-A329 PolarHBondContact OD1-N 3.11Å; N327-G330 PolarHBondContact N-O 3.13Å; N327-G330 PolarHBondContact O-N 3.1Å; N327-G330 PolarHBondContact OD1-N 3.09Å; N327-G330 VanDerWaalsContact OD1-N 3.09Å
328R96.1Very high96.8Very high162 Ų16244.7 Ų44.761%0.61125%0.249SC*.THydrogen-bonded Turntrans-65.4-12.9179.464.6169.1167.1-132.6-2.9115.2E245 F247 P277E245-R328 IonicContact OE2-NH2 3.75Å; F247-R328 VanDerWaalsContact CE2-NE 3.34Å; F247-R328 VanDerWaalsContact CZ-CZ 3.44Å; P277-R328 HydrophobicContact CG-CG 3.91Å
329A94.7Very high96.9Very high44 Ų4446.4 Ų46.436%0.36425%0.253SS..THydrogen-bonded Turntrans-100-10.8179.300000113.4F247 N327F247-A329 HydrophobicContact CB-CB 3.91Å; N327-A329 PolarHBondContact O-N 3.21Å; N327-A329 VanDerWaalsContact O-N 3.15Å; N327-A329 WeakPolarHBondContact OD1-CA 3.33Å; N327-A329 WeakPolarHBondContact OD1-CB 3.39Å; N327-A329 PolarHBondContact OD1-N 3.11Å
330G96.1Very high96.8Very high28 Ų2847.1 Ų47.129%0.28926%0.255SS..EExtended strand (participates in β ladder)trans158.8-163.1174.300000114.3P250 N327P250-G330 WeakPolarHBondContact CD-O 3.45Å; P250-G330 WeakPolarHBondContact CG-O 3.49Å; N327-G330 PolarHBondContact N-O 3.13Å; N327-G330 PolarHBondContact O-N 3.1Å; N327-G330 PolarHBondContact OD1-N 3.09Å; N327-G330 VanDerWaalsContact OD1-N 3.09Å
331E98Very high96.5Very high98 Ų9849.3 Ų49.346%0.45826%0.261SS..EExtended strand (participates in β ladder)trans-140149.3-177.6-170.2170.8103.900109.7V324 A325 R326V324-E331 HydrophobicContact CG1-CG 3.62Å; A325-E331 CarbonylContact O-C 3.6Å; A325-E331 VanDerWaalsContact O-CA 3.31Å; A325-E331 WeakPolarHBondContact O-CA 3.15Å; R326-E331 HydrophobicContact CB-CG 4.3Å; R326-E331 WeakPolarHBondContact CD-OE2 3.34Å; R326-E331 HydrophobicContact CG-CB 4.42Å; R326-E331 HydrophobicContact CG-CG 4.41Å; R326-E331 IonicContact CZ-OE2 2.66Å; R326-E331 IonicContact NE-OE2 2.75Å; R326-E331 IonicContact NH1-OE2 3.7Å; R326-E331 PolarHBondContact NH1-OE2 2.98Å
332A97.9Very high95.8Very high22 Ų2253 Ų5318%0.18229%0.292CS..EExtended strand (participates in β ladder)trans-139150170.800000110.2P250 F252 A325P250-A332 HydrophobicContact CB-CB 4.16Å; P250-A332 WeakPolarHBondContact O-CB 3.42Å; F252-A332 HydrophobicContact CD2-CB 4.08Å; F252-A332 HydrophobicContact CE2-CB 3.87Å; F252-A332 WeakPolarHBondContact CE2-O 3.26Å; A325-A332 PolarHBondContact N-O 3.14Å; A325-A332 PolarHBondContact O-N 2.99Å
333T98Very high94.5Very high79 Ų7958.2 Ų58.249%0.48531%0.31SS..EExtended strand (participates in β ladder)trans-134.7143.1-179.2-53.30000111A322 C323 V324A322-T333 HydrophobicContact CB-CG2 4.4Å; C323-T333 VanDerWaalsContact O-CA 3.26Å; C323-T333 WeakPolarHBondContact O-CA 3.41Å; V324-T333 HydrophobicContact CG2-CG2 3.98Å
334F97.4Very high93.3Very high21 Ų2164.8 Ų64.89%0.09234%0.34CS..EExtended strand (participates in β ladder)trans-129.8161.1160.976.3-98.6000110.7F252 V255 P256 F271 W283 A322 C323 V336F252-F334 AromaticContact CD1-CD1 3.62Å; F252-F334 HydrophobicContact CD1-CD1 3.62Å; F252-F334 AromaticContact CD1-CE1 3.72Å; F252-F334 HydrophobicContact CD1-CE1 3.72Å; F252-F334 HydrophobicContact CD2-CB 4.42Å; F252-F334 AromaticContact CD2-CD1 3.76Å; F252-F334 HydrophobicContact CD2-CD1 3.76Å; F252-F334 AromaticContact CE1-CD1 3.56Å; F252-F334 HydrophobicContact CE1-CD1 3.56Å; F252-F334 AromaticContact CE1-CE1 3.53Å; F252-F334 HydrophobicContact CE1-CE1 3.53Å; F252-F334 AromaticContact CE2-CD1 3.69Å; F252-F334 HydrophobicContact CE2-CD1 3.69Å; F252-F334 HydrophobicContact CE2-CE1 4.47Å; F252-F334 AromaticContact CG-CD1 3.72Å; F252-F334 HydrophobicContact CG-CD1 3.72Å; F252-F334 HydrophobicContact CG-CE1 4.28Å; F252-F334 AromaticContact CZ-CD1 3.6Å; F252-F334 HydrophobicContact CZ-CD1 3.6Å; F252-F334 AromaticContact CZ-CE1 3.94Å; F252-F334 HydrophobicContact CZ-CE1 3.94Å; V255-F334 HydrophobicContact CB-CD1 4.33Å; V255-F334 HydrophobicContact CB-CD2 4.1Å; V255-F334 HydrophobicContact CB-CE1 4.49Å; V255-F334 HydrophobicContact CB-CE2 4.31Å; V255-F334 HydrophobicContact CB-CG 4.14Å; V255-F334 HydrophobicContact CB-CZ 4.49Å; V255-F334 HydrophobicContact CG1-CB 3.97Å; V255-F334 HydrophobicContact CG1-CD1 3.52Å; V255-F334 HydrophobicContact CG1-CD2 4.09Å; V255-F334 HydrophobicContact CG1-CE1 3.94Å; V255-F334 HydrophobicContact CG1-CE2 4.49Å; V255-F334 HydrophobicContact CG1-CG 3.6Å; V255-F334 HydrophobicContact CG1-CZ 4.41Å; P256-F334 HydrophobicContact CG-CE2 3.83Å; P256-F334 HydrophobicContact CG-CZ 4.18Å; F271-F334 HydrophobicContact CB-CE1 4.04Å; F271-F334 HydrophobicContact CB-CZ 4.01Å; F271-F334 HydrophobicContact CD1-CZ 4.41Å; F271-F334 AromaticContact CD2-CE1 4Å; F271-F334 HydrophobicContact CD2-CE1 4Å; F271-F334 HydrophobicContact CD2-CZ 4.46Å; F271-F334 HydrophobicContact CG-CE1 4.02Å; F271-F334 HydrophobicContact CG-CZ 4.06Å; W283-F334 AromaticContact CH2-CE2 3.64Å; W283-F334 HydrophobicContact CH2-CE2 3.64Å; W283-F334 AromaticContact CH2-CZ 3.47Å; W283-F334 HydrophobicContact CH2-CZ 3.47Å; W283-F334 VanDerWaalsContact CH2-CZ 3.47Å; W283-F334 HydrophobicContact CZ2-CE2 4.48Å; W283-F334 AromaticContact CZ2-CZ 3.88Å; W283-F334 HydrophobicContact CZ2-CZ 3.88Å; W283-F334 HydrophobicContact CZ3-CE2 4.1Å; W283-F334 HydrophobicContact CZ3-CZ 4.23Å; A322-F334 CarbonylContact C-O 3.37Å; A322-F334 WeakPolarHBondContact CA-O 3.35Å; C323-F334 HydrophobicContact CB-CD1 3.77Å; C323-F334 HydrophobicContact CB-CD2 4.36Å; C323-F334 HydrophobicContact CB-CE1 3.34Å; C323-F334 HydrophobicContact CB-CE2 3.96Å; C323-F334 HydrophobicContact CB-CG 4.27Å; C323-F334 HydrophobicContact CB-CZ 3.44Å; C323-F334 VanDerWaalsContact CB-CZ 3.44Å; C323-F334 PolarHBondContact N-O 2.81Å; C323-F334 PolarHBondContact O-N 2.9Å; F334-V336 HydrophobicContact CE2-CB 4.45Å; F334-V336 HydrophobicContact CE2-CG1 4.25Å
335T97.3Very high92.1Very high105 Ų10570.4 Ų70.464%0.64437%0.365SS*.EExtended strand (participates in β ladder)trans-123.8143.7175.450.20000111.2Y321 A322Y321-T335 CarbonylContact O-C 3.54Å; Y321-T335 VanDerWaalsContact O-CA 3.27Å; Y321-T335 WeakPolarHBondContact O-CA 3.46Å; A322-T335 HydrophobicContact CB-CG2 3.97Å
336V97.1Very high91.6Very high2 Ų274.9 Ų74.91%0.01238%0.384CS..EExtended strand (participates in β ladder)trans-138139.5174.264.20000109.9P256 E257 M269 W283 Y321 F334P256-V336 HydrophobicContact CB-CG2 4.43Å; P256-V336 HydrophobicContact CG-CB 4.22Å; P256-V336 HydrophobicContact CG-CG1 4.14Å; P256-V336 HydrophobicContact CG-CG2 4.17Å; E257-V336 WeakPolarHBondContact O-CG2 3.27Å; M269-V336 HydrophobicContact CE-CG1 4.45Å; M269-V336 HydrophobicContact SD-CG1 3.97Å; W283-V336 HydrophobicContact CH2-CG1 4.14Å; W283-V336 HydrophobicContact CZ3-CG1 3.94Å; Y321-V336 PolarHBondContact N-O 2.91Å; Y321-V336 PolarHBondContact O-N 3.37Å; F334-V336 HydrophobicContact CE2-CB 4.45Å; F334-V336 HydrophobicContact CE2-CG1 4.25Å
337Q96.8Very high91.3Very high61 Ų6173.4 Ų73.429%0.28538%0.379SS..EExtended strand (participates in β ladder)trans-92.1127.8176.4-178.665.918.400110.3N258 M259 G319 D339N258-Q337 WeakPolarHBondContact CA-O 3.3Å; N258-Q337 HydrophobicContact CB-CB 4.17Å; N258-Q337 PolarHBondContact OD1-N 2.95Å; M259-Q337 PolarHBondContact N-O 3.25Å; G319-Q337 PolarHBondContact O-OE1 2.85Å; Q337-D339 WeakPolarHBondContact CG-OD1 3.4Å; Q337-D339 PolarHBondContact NE2-OD1 2.87Å
338L96.3Very high91.1Very high0 Ų074.4 Ų74.40%039%0.39CS..EExtended strand (participates in β ladder)trans-108.6113.9167.2174.655.4000109.5M259 I261 M269 F310 D317 A318 G319 Y321 V340M259-L338 HydrophobicContact CE-CD1 3.89Å; M259-L338 HydrophobicContact CG-CD1 4.27Å; M259-L338 WeakPolarHBondContact O-CA 3.37Å; I261-L338 HydrophobicContact CB-CD1 4.45Å; I261-L338 HydrophobicContact CD1-CD1 4.38Å; I261-L338 HydrophobicContact CG1-CD1 4.4Å; M269-L338 HydrophobicContact CE-CB 3.79Å; M269-L338 HydrophobicContact CE-CD2 3.81Å; M269-L338 HydrophobicContact CE-CG 4.26Å; F310-L338 HydrophobicContact CE1-CD2 4.27Å; F310-L338 HydrophobicContact CE2-CD2 4.35Å; F310-L338 HydrophobicContact CZ-CD2 4.02Å; D317-L338 WeakPolarHBondContact O-CD2 3.46Å; A318-L338 CarbonylContact C-O 3.53Å; A318-L338 WeakPolarHBondContact CA-O 3.35Å; G319-L338 PolarHBondContact N-O 2.94Å; G319-L338 PolarHBondContact O-N 2.91Å; Y321-L338 HydrophobicContact CD2-CB 4.01Å; Y321-L338 HydrophobicContact CE2-CB 3.84Å; Y321-L338 HydrophobicContact CE2-CD2 3.95Å; Y321-L338 HydrophobicContact CE2-CG 4.46Å; L338-V340 HydrophobicContact CG-CG2 4.18Å
339D95.6Very high91.2Very high73 Ų7367 Ų6739%0.3936%0.363SS..EExtended strand (participates in β ladder)trans-99.9119.5173.6-62.9-38.4000109.6M259 S260 I261 Q337M259-D339 PolarHBondContact O-N 2.82Å; S260-D339 CarbonylContact C-O 3.59Å; S260-D339 VanDerWaalsContact CA-O 3.25Å; S260-D339 WeakPolarHBondContact CA-O 3.43Å; I261-D339 PolarHBondContact N-O 2.78Å; Q337-D339 WeakPolarHBondContact CG-OD1 3.4Å; Q337-D339 PolarHBondContact NE2-OD1 2.87Å
340V94.5Very high91.3Very high25 Ų2570.9 Ų70.915%0.15238%0.375CS..EExtended strand (participates in β ladder)trans-96.3112.6179.1-1770000109.5I261 E263 V313 A318 L338 A342I261-V340 CarbonylContact O-C 3.59Å; I261-V340 WeakPolarHBondContact O-CA 3.22Å; E263-V340 HydrophobicContact CB-CG1 3.91Å; E263-V340 HydrophobicContact CG-CG1 4.36Å; V313-V340 HydrophobicContact CG1-CB 4.22Å; V313-V340 HydrophobicContact CG1-CG1 3.73Å; V313-V340 HydrophobicContact CG1-CG2 3.43Å; V313-V340 VanDerWaalsContact CG1-CG2 3.43Å; A318-V340 HydrophobicContact CB-CB 4.06Å; A318-V340 HydrophobicContact CB-CG2 3.84Å; L338-V340 HydrophobicContact CG-CG2 4.18Å; V340-A342 PolarHBondContact O-N 2.79Å
341L90.1Very high91.3Very high87 Ų8770.6 Ų70.646%0.45537%0.366SS..EExtended strand (participates in β ladder)trans-75.4110.4175.7-59.3179.4000108.4S260 I261 E263 K343S260-L341 WeakPolarHBondContact OG-CD2 3.27Å; S260-L341 WeakPolarHBondContact OG-CG 3.28Å; I261-L341 PolarHBondContact O-N 3.4Å; E263-L341 PolarHBondContact N-O 3.19Å; L341-K343 PolarHBondContact O-N 3.3Å; L341-K343 VanDerWaalsContact O-N 3.14Å
342A80.8Confident91.3Very high79 Ų7970.2 Ų70.265%0.65337%0.366SS*.  trans-54.3121.5178.300000109.9V340 E344V340-A342 PolarHBondContact O-N 2.79Å; A342-E344 PolarHBondContact O-N 3.09Å
343K71.4Confident91.2Very high132 Ų13276.5 Ų76.557%0.57439%0.386SS*.  trans-68.5109.3-177.4178.9176.9-176172.90108.9E263 L341 H345E263-K343 HydrophobicContact CB-CB 4.01Å; L341-K343 PolarHBondContact O-N 3.3Å; L341-K343 VanDerWaalsContact O-N 3.14Å; K343-H345 PolarHBondContact O-N 3Å; K343-H345 PolarHBondContact O-ND1 2.76Å
344E70.9Confident91.2Very high138 Ų13879.7 Ų79.765%0.64539%0.393SS*.  trans-46.3120.1175.5-71.4-167.914000109.9A342 K346A342-E344 PolarHBondContact O-N 3.09Å; E344-K346 HydrophobicContact CB-CG 4.11Å; E344-K346 PolarHBondContact O-N 2.78Å; E344-K346 WeakPolarHBondContact OE2-CE 3.5Å; E344-K346 IonicContact OE2-NZ 3.21Å; E344-K346 PolarHBondContact OE2-NZ 2.98Å
345H73.6Confident91.1Very high142 Ų14279 Ų7966%0.65739%0.391SS*.  trans-77.265.9-175.5-74.79.7000110.9K343 R347 I375K343-H345 PolarHBondContact O-N 3Å; K343-H345 PolarHBondContact O-ND1 2.76Å; H345-R347 PolarHBondContact O-N 2.62Å; H345-I375 WeakPolarHBondContact O-CB 3.43Å; H345-I375 WeakPolarHBondContact O-CG2 3.32Å
346K86.4Confident91Very high94 Ų9481.2 Ų81.241%0.40939%0.394SS..  trans-64.7120.7178.4-60.4-178.7-177.2-145.60109.1E344 I375 E428 A429E344-K346 HydrophobicContact CB-CG 4.11Å; E344-K346 PolarHBondContact O-N 2.78Å; E344-K346 WeakPolarHBondContact OE2-CE 3.5Å; E344-K346 IonicContact OE2-NZ 3.21Å; E344-K346 PolarHBondContact OE2-NZ 2.98Å; K346-I375 CarbonylContact C-O 3.57Å; K346-I375 WeakPolarHBondContact CA-O 3.38Å; K346-E428 HydrophobicContact CD-CG 4.3Å; K346-E428 WeakPolarHBondContact CD-OE1 3.42Å; K346-E428 WeakPolarHBondContact CE-OE1 3.38Å; K346-E428 IonicContact NZ-OE1 3.77Å; K346-E428 PolarHBondContact NZ-OE1 2.85Å; K346-E428 IonicContact NZ-OE2 2.79Å; K346-E428 PolarHBondContact NZ-OE2 3.18Å; K346-A429 HydrophobicContact CB-CB 4.1Å
347R91Very high91Very high129 Ų12984.8 Ų84.849%0.48742%0.419SS..EExtended strand (participates in β ladder)trans-126119.5-176.4179170.661.3177.7-1.8109H345 S373 I375 N427H345-R347 PolarHBondContact O-N 2.62Å; R347-S373 PolarHBondContact NE-OG 2.98Å; R347-S373 PolarHBondContact NH1-OG 2.83Å; R347-S373 PolarHBondContact NH2-OG 2.86Å; R347-S373 VanDerWaalsContact NH2-OG 3.16Å; R347-I375 HydrophobicContact CB-CB 4.12Å; R347-I375 HydrophobicContact CB-CG1 4.33Å; R347-I375 PolarHBondContact N-O 2.92Å; R347-I375 PolarHBondContact O-N 2.96Å; R347-I375 VanDerWaalsContact O-O 3.12Å; R347-N427 PolarHBondContact O-ND2 3.46Å
348A94Very high91Very high41 Ų4185.2 Ų85.234%0.33942%0.42SS..EExtended strand (participates in β ladder)trans-55.4148.6175.900000110.9A429A348-A429 HydrophobicContact CB-CB 4.27Å; A348-A429 WeakPolarHBondContact CB-O 3.33Å
349P97.1Very high91Very high7 Ų793 Ų935%0.04545%0.454CS..EExtended strand (participates in β ladder)trans-69.6137.8-174.8-1431.3000110.3I372 S373 A374 P378 A425 N427 G430 T432P349-I372 HydrophobicContact CB-CG2 4Å; P349-S373 CarbonylContact C-O 3.59Å; P349-S373 WeakPolarHBondContact CA-O 3.28Å; P349-A374 HydrophobicContact CB-CB 3.66Å; P349-A374 HydrophobicContact CG-CB 3.88Å; P349-P378 HydrophobicContact CB-CB 4.09Å; P349-P378 HydrophobicContact CB-CG 4.46Å; P349-P378 HydrophobicContact CG-CB 3.91Å; P349-A425 HydrophobicContact CB-CB 3.98Å; P349-N427 WeakPolarHBondContact CD-OD1 3.45Å; P349-N427 HydrophobicContact CG-CB 4.2Å; P349-G430 WeakPolarHBondContact CD-O 3.22Å; P349-T432 HydrophobicContact CB-CG2 3.94Å; P349-T432 WeakPolarHBondContact O-CB 3.29Å; P349-T432 WeakPolarHBondContact O-CG2 3.48Å
350M97Very high91Very high126 Ų12690.5 Ų90.562%0.62144%0.441SS*.EExtended strand (participates in β ladder)trans-138.4132.2-177.6-176.5-176.7-68.800110.5I352 I372 S373M350-I352 PolarHBondContact O-N 2.84Å; M350-I372 CarbonylContact O-C 3.56Å; M350-I372 WeakPolarHBondContact O-CA 3.3Å; M350-S373 PolarHBondContact N-O 2.88Å; M350-S373 PolarHBondContact O-N 2.9Å
351F96.9Very high91Very high22 Ų2292.4 Ų92.410%0.09645%0.45CS..EExtended strand (participates in β ladder)trans-71112.3171.8-66.7-80.4000110.6K354 C370 Q371 I372 V423 T432 C434F351-K354 HydrophobicContact CB-CG 3.9Å; F351-K354 HydrophobicContact CG-CG 4.33Å; F351-C370 HydrophobicContact CD1-CB 4.14Å; F351-C370 HydrophobicContact CE1-CB 4.23Å; F351-Q371 CarbonylContact C-O 3.6Å; F351-Q371 WeakPolarHBondContact CA-O 3.41Å; F351-I372 HydrophobicContact CD1-CD1 4.2Å; F351-I372 HydrophobicContact CD1-CG1 3.68Å; F351-I372 HydrophobicContact CE1-CD1 3.66Å; F351-I372 HydrophobicContact CE1-CG1 3.69Å; F351-I372 HydrophobicContact CZ-CD1 4.28Å; F351-V423 HydrophobicContact CE1-CG1 3.78Å; F351-V423 HydrophobicContact CE1-CG2 4.43Å; F351-V423 HydrophobicContact CZ-CG1 3.76Å; F351-V423 HydrophobicContact CZ-CG2 4.4Å; F351-T432 HydrophobicContact CD2-CG2 3.8Å; F351-T432 HydrophobicContact CE2-CG2 3.47Å; F351-T432 VanDerWaalsContact CE2-CG2 3.47Å; F351-T432 HydrophobicContact CZ-CG2 4.14Å; F351-C434 HydrophobicContact CD1-CB 4.48Å; F351-C434 HydrophobicContact CD2-CB 3.86Å; F351-C434 HydrophobicContact CE1-CB 4.12Å; F351-C434 HydrophobicContact CE2-CB 3.43Å; F351-C434 VanDerWaalsContact CE2-CB 3.43Å; F351-C434 HydrophobicContact CG-CB 4.37Å; F351-C434 HydrophobicContact CZ-CB 3.6Å
352I96.6Very high91.2Very high90 Ų9091 Ų9146%0.46244%0.441SS..EExtended strand (participates in β ladder)trans-71.1-49.4163.8-63.4168.9000108.4M350 Q371M350-I352 PolarHBondContact O-N 2.84Å; I352-Q371 HydrophobicContact CB-CB 4.28Å; I352-Q371 HydrophobicContact CB-CG 4.37Å; I352-Q371 HydrophobicContact CD1-CG 4.24Å; I352-Q371 PolarHBondContact N-O 2.68Å
353Y97.1Very high91.7Very high154 Ų15488.8 Ų88.860%0.60443%0.426SS*.EExtended strand (participates in β ladder)trans-123127.1172.5-61.9-60000109.9C370 Q371Y353-C370 WeakPolarHBondContact O-CA 3.32Å; Y353-C370 VanDerWaalsContact O-CB 3.24Å; Y353-C370 WeakPolarHBondContact O-CB 3.2Å; Y353-Q371 HydrophobicContact CD2-CB 3.83Å; Y353-Q371 VanDerWaalsContact CE2-OE1 3.3Å; Y353-Q371 HydrophobicContact CG-CB 4.47Å; Y353-Q371 PolarHBondContact N-O 2.85Å; Y353-Q371 PolarHBondContact O-N 2.88Å
354K96.4Very high92.8Very high145 Ų14585.3 Ų85.363%0.6341%0.414SS*.PPolyproline II helixtrans-84.8147.2177.3-68.7179.1178.1179.90110.6F351 Q356F351-K354 HydrophobicContact CB-CG 3.9Å; F351-K354 HydrophobicContact CG-CG 4.33Å; K354-Q356 PolarHBondContact O-N 2.8Å
355P95.8Very high94Very high8 Ų882.2 Ų82.25%0.05241%0.407CS..PPolyproline II helixtrans-68.3126.4178.228.8-33.2000112E369 C370 V423 T436P355-E369 VanDerWaalsContact CA-O 3.28Å; P355-E369 WeakPolarHBondContact CA-O 3.35Å; P355-C370 HydrophobicContact CB-CB 4.19Å; P355-C370 HydrophobicContact CG-CB 4.3Å; P355-V423 HydrophobicContact CG-CG1 3.79Å; P355-T436 HydrophobicContact CB-CG2 4.02Å; P355-T436 HydrophobicContact CG-CG2 4.19Å; P355-T436 VanDerWaalsContact O-CB 3.3Å; P355-T436 WeakPolarHBondContact O-CB 3.3Å; P355-T436 PolarHBondContact O-OG1 3.4Å
356Q96.1Very high95.1Very high150 Ų15075.7 Ų75.770%0.70138%0.377SS*.PPolyproline II helixtrans-84.8141.4-178.8-64-177.5-4.200112.1K354 T436K354-Q356 PolarHBondContact O-N 2.8Å; Q356-T436 PolarHBondContact O-OG1 2.95Å
357S97.1Very high95.6Very high77 Ų7776.3 Ų76.354%0.53838%0.38SS..PPolyproline II helixtrans-65.4139.9175-580000110.7T436 R437S357-T436 WeakPolarHBondContact CA-OG1 3.33Å; S357-T436 PolarHBondContact N-OG1 2.81Å; S357-T436 VanDerWaalsContact N-OG1 3.09Å; S357-R437 CarbonylContact C-O 3.4Å; S357-R437 WeakPolarHBondContact CA-O 3.49Å; S357-R437 VanDerWaalsContact CB-O 3.25Å; S357-R437 WeakPolarHBondContact CB-O 3.49Å; S357-R437 PolarHBondContact OG-N 2.89Å; S357-R437 VanDerWaalsContact OG-N 3.13Å
358K96.1Very high95.8Very high70 Ų7070.2 Ų70.230%0.30436%0.357SS..EExtended strand (participates in β ladder)trans-130.8148.9-176-67.8-173.5179.1-178.20111.5V360 V366 K367 R437 L438 D439K358-V360 HydrophobicContact CB-CG2 4.39Å; K358-V366 HydrophobicContact CB-CG2 4.23Å; K358-V366 HydrophobicContact CD-CG2 3.88Å; K358-K367 WeakPolarHBondContact CD-O 3.45Å; K358-K367 WeakPolarHBondContact CE-O 3.26Å; K358-K367 PolarHBondContact NZ-O 3.04Å; K358-R437 PolarHBondContact N-O 2.81Å; K358-L438 HydrophobicContact CB-CD1 4.38Å; K358-L438 WeakPolarHBondContact O-CA 3.44Å; K358-D439 PolarHBondContact O-N 2.96Å
359K96.1Very high96Very high165 Ų16571.7 Ų71.772%0.71736%0.357SS*.EExtended strand (participates in β ladder)trans-114.5129.7170.2-53.2-161.2173.4-178.90108.4D439K359-D439 WeakPolarHBondContact CA-O 3.08Å; K359-D439 HydrophobicContact CB-CB 4.47Å; K359-D439 HydrophobicContact CD-CB 4.48Å; K359-D439 WeakPolarHBondContact CE-OD2 3.43Å; K359-D439 HydrophobicContact CG-CB 4.07Å
360V95.8Very high95.9Very high19 Ų1971.6 Ų71.612%0.11536%0.356CS..EExtended strand (participates in β ladder)trans-139.4152.8-170.4179.80000110.3K358 D364 V366 L438 D439 V440 T441K358-V360 HydrophobicContact CB-CG2 4.39Å; V360-D364 HydrophobicContact CG1-CB 3.7Å; V360-V366 HydrophobicContact CG1-CB 4.46Å; V360-V366 HydrophobicContact CG2-CB 3.93Å; V360-V366 HydrophobicContact CG2-CG2 3.67Å; V360-L438 HydrophobicContact CB-CD1 4.46Å; V360-L438 HydrophobicContact CG2-CD1 4.09Å; V360-D439 PolarHBondContact N-O 2.99Å; V360-V440 WeakPolarHBondContact O-CA 3.37Å; V360-T441 PolarHBondContact O-N 2.96Å; V360-T441 PolarHBondContact O-OG1 2.9Å
361L94.1Very high95.9Very high65 Ų6567.3 Ų67.334%0.3434%0.335SS..EExtended strand (participates in β ladder)trans-86.6147.7176.3-68.7163.6000111.4G363 D364 T441 R443L361-G363 PolarHBondContact O-N 2.85Å; L361-D364 WeakPolarHBondContact O-CB 3.28Å; L361-D364 PolarHBondContact O-N 2.98Å; L361-T441 CarbonylContact C-O 3.51Å; L361-T441 VanDerWaalsContact CA-O 3.3Å; L361-T441 WeakPolarHBondContact CA-O 3.32Å; L361-T441 WeakPolarHBondContact CD2-OG1 3.49Å; L361-R443 HydrophobicContact CB-CG 4.16Å
362E94.9Very high95.9Very high58 Ų5866.6 Ų66.627%0.27133%0.332SS..THydrogen-bonded Turntrans-61.5121.3-179.1-178.1155.5-134.200111.9V413 K415 V440 T441 R443E362-V413 CarbonylContact C-O 3.54Å; E362-V413 WeakPolarHBondContact CA-O 3.31Å; E362-K415 WeakPolarHBondContact OE1-CG 3.36Å; E362-K415 PolarHBondContact OE1-N 3.33Å; E362-K415 WeakPolarHBondContact OE2-CE 3.25Å; E362-K415 IonicContact OE2-NZ 3.17Å; E362-V440 HydrophobicContact CB-CG1 4.26Å; E362-T441 PolarHBondContact N-O 3.18Å; E362-R443 PolarHBondContact O-NE 3.16Å; E362-R443 PolarHBondContact O-NH2 3.16Å
363G91.2Very high95.9Very high32 Ų3263.4 Ų63.433%0.3332%0.317SS..THydrogen-bonded Turntrans93.2-5.3-174.100000115L361 V413 R443L361-G363 PolarHBondContact O-N 2.85Å; G363-V413 PolarHBondContact N-O 3.15Å; G363-R443 PolarHBondContact O-NH2 2.81Å
364D94.6Very high95.7Very high60 Ų6056.8 Ų56.832%0.32130%0.295SS..  trans-78.5169.4171.8-71.4-9.9000110.9V360 L361 D412 V413 R443V360-D364 HydrophobicContact CG1-CB 3.7Å; L361-D364 WeakPolarHBondContact O-CB 3.28Å; L361-D364 PolarHBondContact O-N 2.98Å; D364-D412 PolarHBondContact O-N 3.17Å; D364-V413 VanDerWaalsContact O-CB 3.3Å; D364-V413 WeakPolarHBondContact O-CB 3.33Å; D364-V413 WeakPolarHBondContact O-CG2 3.41Å; D364-V413 PolarHBondContact O-N 2.99Å; D364-R443 VanDerWaalsContact N-NH2 3.13Å; D364-R443 IonicContact OD1-CZ 2.76Å; D364-R443 IonicContact OD1-NH1 2.75Å; D364-R443 PolarHBondContact OD1-NH1 3.13Å; D364-R443 IonicContact OD1-NH2 2.85Å; D364-R443 PolarHBondContact OD1-NH2 2.86Å; D364-R443 IonicContact OD2-NH1 3.92Å
365S95.8Very high95.4Very high72 Ų7253.4 Ų53.450%0.50328%0.282SS..  trans-101.1138173-64.40000111.7I410 K411S365-I410 CarbonylContact C-O 3.5Å; S365-I410 VanDerWaalsContact CA-O 3.32Å; S365-I410 WeakPolarHBondContact CA-O 3.42Å; S365-K411 WeakPolarHBondContact OG-CA 3.18Å
366V96.7Very high95.2Very high5 Ų555.3 Ų55.33%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-122.6143.9177.870.10000112.3K358 V360 L409 I410 V413 L438K358-V366 HydrophobicContact CB-CG2 4.23Å; K358-V366 HydrophobicContact CD-CG2 3.88Å; V360-V366 HydrophobicContact CG1-CB 4.46Å; V360-V366 HydrophobicContact CG2-CB 3.93Å; V360-V366 HydrophobicContact CG2-CG2 3.67Å; V366-L409 WeakPolarHBondContact O-CA 3.41Å; V366-I410 HydrophobicContact CG1-CB 3.89Å; V366-I410 HydrophobicContact CG1-CD1 4.22Å; V366-I410 HydrophobicContact CG1-CG1 4.48Å; V366-I410 PolarHBondContact N-O 2.98Å; V366-I410 PolarHBondContact O-N 2.87Å; V366-V413 HydrophobicContact CB-CG2 4.22Å; V366-V413 HydrophobicContact CG1-CG2 3.63Å; V366-L438 HydrophobicContact CB-CD1 4.47Å; V366-L438 HydrophobicContact CG1-CD1 4.13Å; V366-L438 HydrophobicContact CG1-CD2 3.96Å; V366-L438 HydrophobicContact CG2-CD1 4.02Å
367K96.5Very high94.9Very high108 Ų10853.3 Ų53.347%0.4730%0.295SS..EExtended strand (participates in β ladder)trans-112120.4170.9-65.7178179.9-178.60109.6K358 E369 T407 L408 L409K358-K367 WeakPolarHBondContact CD-O 3.45Å; K358-K367 WeakPolarHBondContact CE-O 3.26Å; K358-K367 PolarHBondContact NZ-O 3.04Å; K367-E369 HydrophobicContact CB-CG 3.75Å; K367-T407 HydrophobicContact CB-CG2 3.94Å; K367-T407 HydrophobicContact CD-CG2 4.12Å; K367-T407 HydrophobicContact CG-CG2 3.96Å; K367-L408 WeakPolarHBondContact CA-O 3.48Å; K367-L409 HydrophobicContact CG-CD1 3.75Å
368L96.8Very high94.8Very high0 Ų050.3 Ų50.30%027%0.274CS..EExtended strand (participates in β ladder)trans-97.9114.5166.9-60.1179.7000107.8W382 L408 Y421 T436L368-W382 HydrophobicContact CB-CH2 3.93Å; L368-W382 HydrophobicContact CB-CZ3 4.13Å; L368-W382 HydrophobicContact CD1-CZ3 4.21Å; L368-L408 HydrophobicContact CB-CB 4.41Å; L368-L408 PolarHBondContact N-O 3.35Å; L368-L408 PolarHBondContact O-N 3.41Å; L368-Y421 HydrophobicContact CD1-CD1 3.79Å; L368-Y421 HydrophobicContact CD1-CD2 3.94Å; L368-Y421 HydrophobicContact CD1-CE1 4.31Å; L368-Y421 HydrophobicContact CD1-CE2 4.46Å; L368-Y421 HydrophobicContact CD1-CG 3.58Å; L368-T436 HydrophobicContact CD1-CG2 4.15Å; L368-T436 HydrophobicContact CD2-CG2 4.34Å
369E96.4Very high94.8Very high73 Ų7354.7 Ų54.734%0.34129%0.293SS..EExtended strand (participates in β ladder)trans-125.6133.7-163.9-54.4-170.8104.100111P355 K367 V406 T407P355-E369 VanDerWaalsContact CA-O 3.28Å; P355-E369 WeakPolarHBondContact CA-O 3.35Å; K367-E369 HydrophobicContact CB-CG 3.75Å; E369-V406 CarbonylContact C-O 3.47Å; E369-V406 WeakPolarHBondContact CA-O 3.39Å; E369-T407 HydrophobicContact CG-CG2 3.8Å; E369-T407 WeakPolarHBondContact CG-OG1 3.27Å; E369-T407 WeakPolarHBondContact OE1-CG2 3.42Å; E369-T407 PolarHBondContact OE1-OG1 2.87Å
370C96.5Very high94.7Very high4 Ų447.7 Ų47.73%0.02726%0.263CS..EExtended strand (participates in β ladder)trans-141.8167.2175.362.20000110.4F351 Y353 P355 R405 V406F351-C370 HydrophobicContact CD1-CB 4.14Å; F351-C370 HydrophobicContact CE1-CB 4.23Å; Y353-C370 WeakPolarHBondContact O-CA 3.32Å; Y353-C370 VanDerWaalsContact O-CB 3.24Å; Y353-C370 WeakPolarHBondContact O-CB 3.2Å; P355-C370 HydrophobicContact CB-CB 4.19Å; P355-C370 HydrophobicContact CG-CB 4.3Å; C370-R405 WeakPolarHBondContact O-CA 3.5Å; C370-V406 PolarHBondContact N-O 2.94Å; C370-V406 PolarHBondContact O-N 3.37Å
371Q97.3Very high94.7Very high37 Ų3750.7 Ų50.717%0.17328%0.275CS..EExtended strand (participates in β ladder)trans-128.6128.8172.8-169.21772.700109.4F351 I352 Y353 T403 G404F351-Q371 CarbonylContact C-O 3.6Å; F351-Q371 WeakPolarHBondContact CA-O 3.41Å; I352-Q371 HydrophobicContact CB-CB 4.28Å; I352-Q371 HydrophobicContact CB-CG 4.37Å; I352-Q371 HydrophobicContact CD1-CG 4.24Å; I352-Q371 PolarHBondContact N-O 2.68Å; Y353-Q371 HydrophobicContact CD2-CB 3.83Å; Y353-Q371 VanDerWaalsContact CE2-OE1 3.3Å; Y353-Q371 HydrophobicContact CG-CB 4.47Å; Y353-Q371 PolarHBondContact N-O 2.85Å; Y353-Q371 PolarHBondContact O-N 2.88Å; Q371-T403 PolarHBondContact NE2-O 2.84Å; Q371-G404 CarbonylContact C-O 3.6Å; Q371-G404 WeakPolarHBondContact CA-O 3.31Å
372I97Very high94.7Very high7 Ų747.6 Ų47.64%0.03626%0.259CS..EExtended strand (participates in β ladder)trans-126.3123.8-170.7-57.9169.2000108.9P349 M350 F351 P378 L380 G404 V406 A425P349-I372 HydrophobicContact CB-CG2 4Å; M350-I372 CarbonylContact O-C 3.56Å; M350-I372 WeakPolarHBondContact O-CA 3.3Å; F351-I372 HydrophobicContact CD1-CD1 4.2Å; F351-I372 HydrophobicContact CD1-CG1 3.68Å; F351-I372 HydrophobicContact CE1-CD1 3.66Å; F351-I372 HydrophobicContact CE1-CG1 3.69Å; F351-I372 HydrophobicContact CZ-CD1 4.28Å; I372-P378 HydrophobicContact CG2-CG 4.06Å; I372-L380 HydrophobicContact CD1-CD2 3.63Å; I372-G404 PolarHBondContact N-O 3.06Å; I372-G404 WeakPolarHBondContact O-CA 3.31Å; I372-V406 HydrophobicContact CD1-CG2 4.2Å; I372-A425 HydrophobicContact CD1-CB 3.91Å; I372-A425 HydrophobicContact CG2-CB 4.13Å
373S95.3Very high94.8Very high22 Ų2248.8 Ų48.815%0.15426%0.263CS..EExtended strand (participates in β ladder)trans-100.7121172.41390000109.2R347 P349 M350R347-S373 PolarHBondContact NE-OG 2.98Å; R347-S373 PolarHBondContact NH1-OG 2.83Å; R347-S373 PolarHBondContact NH2-OG 2.86Å; R347-S373 VanDerWaalsContact NH2-OG 3.16Å; P349-S373 CarbonylContact C-O 3.59Å; P349-S373 WeakPolarHBondContact CA-O 3.28Å; M350-S373 PolarHBondContact N-O 2.88Å; M350-S373 PolarHBondContact O-N 2.9Å
374A93.6Very high95Very high16 Ų1650.2 Ų50.213%0.13226%0.258CS..EExtended strand (participates in β ladder)trans-148.6156.7173.900000110.2P349 P376 P378P349-A374 HydrophobicContact CB-CB 3.66Å; P349-A374 HydrophobicContact CG-CB 3.88Å; A374-P376 CarbonylContact C-O 3.54Å; A374-P378 HydrophobicContact CB-CB 4.11Å; A374-P378 HydrophobicContact CB-CG 3.93Å
375I90.3Very high94.9Very high73 Ų7351.2 Ų51.237%0.37426%0.264SS..EExtended strand (participates in β ladder)trans-139.2121.6169.5-56.1176000107.4H345 K346 R347 N427H345-I375 WeakPolarHBondContact O-CB 3.43Å; H345-I375 WeakPolarHBondContact O-CG2 3.32Å; K346-I375 CarbonylContact C-O 3.57Å; K346-I375 WeakPolarHBondContact CA-O 3.38Å; R347-I375 HydrophobicContact CB-CB 4.12Å; R347-I375 HydrophobicContact CB-CG1 4.33Å; R347-I375 PolarHBondContact N-O 2.92Å; R347-I375 PolarHBondContact O-N 2.96Å; R347-I375 VanDerWaalsContact O-O 3.12Å; I375-N427 VanDerWaalsContact C-ND2 3.34Å; I375-N427 PolarHBondContact O-ND2 2.88Å; I375-N427 VanDerWaalsContact O-ND2 3.14Å
376P90.6Very high94.5Very high48 Ų4854.2 Ų54.231%0.31227%0.274SS..SBendcis-61.6171.7-10.8-21.334.5000113.2A374 N427 E428A374-P376 CarbonylContact C-O 3.54Å; P376-N427 PolarHBondContact O-ND2 3.45Å; P376-E428 WeakPolarHBondContact CD-OE1 3.42Å; P376-E428 HydrophobicContact CG-CG 4.32Å; P376-E428 WeakPolarHBondContact CG-OE1 3.39Å
377P91.3Very high94.4Very high109 Ų10960.1 Ų60.171%0.70830%0.301SS*.PPolyproline II helixtrans-52.4136.4175-2735.9000112.3
378P94.8Very high94.3Very high14 Ų1459.9 Ų59.99%0.09130%0.303CS..PPolyproline II helixtrans-86.7148.2-170.734.6-31.6000112P349 I372 A374 L380 A425 V426 N427P349-P378 HydrophobicContact CB-CB 4.09Å; P349-P378 HydrophobicContact CB-CG 4.46Å; P349-P378 HydrophobicContact CG-CB 3.91Å; I372-P378 HydrophobicContact CG2-CG 4.06Å; A374-P378 HydrophobicContact CB-CB 4.11Å; A374-P378 HydrophobicContact CB-CG 3.93Å; P378-L380 HydrophobicContact CG-CD2 4.5Å; P378-A425 HydrophobicContact CB-CB 4.07Å; P378-A425 HydrophobicContact CG-CB 4.27Å; P378-V426 CarbonylContact C-O 3.58Å; P378-V426 WeakPolarHBondContact CA-O 3.2Å; P378-N427 HydrophobicContact CB-CB 4.5Å
379K94.5Very high94.1Very high162 Ų16260.6 Ų60.670%0.70431%0.308SS*.EExtended strand (participates in β ladder)trans-74.5137.4163.3-65.5-177.6-178.8179.10109.1F381 A425 V426K379-F381 HydrophobicContact CB-CE2 4.22Å; K379-F381 HydrophobicContact CB-CZ 4.27Å; K379-A425 WeakPolarHBondContact O-CA 3.32Å; K379-V426 PolarHBondContact N-O 3.16Å; K379-V426 PolarHBondContact O-N 3.08Å
380L94.8Very high93.9Very high17 Ų1764 Ų649%0.08932%0.324CS..EExtended strand (participates in β ladder)trans-112.4136.6-173-63.7166.5000111I372 P378 V406 A425I372-L380 HydrophobicContact CD1-CD2 3.63Å; P378-L380 HydrophobicContact CG-CD2 4.5Å; L380-V406 HydrophobicContact CD1-CB 4.32Å; L380-V406 HydrophobicContact CD1-CG1 3.79Å; L380-V406 HydrophobicContact CD1-CG2 3.51Å; L380-V406 HydrophobicContact CD2-CG2 4.3Å; L380-A425 HydrophobicContact CD2-CB 3.73Å
381F95Very high93.6Very high82 Ų8267.1 Ų67.136%0.3634%0.336SS..EExtended strand (participates in β ladder)trans-130.9129.5176.3-54.2-76.6000109.2K379 M388 V423 S424 V426K379-F381 HydrophobicContact CB-CE2 4.22Å; K379-F381 HydrophobicContact CB-CZ 4.27Å; F381-M388 HydrophobicContact CB-CE 4.33Å; F381-M388 HydrophobicContact CD1-CE 3.77Å; F381-M388 HydrophobicContact CG-CE 4.42Å; F381-V423 WeakPolarHBondContact O-CA 3.42Å; F381-S424 PolarHBondContact N-O 3.38Å; F381-S424 PolarHBondContact O-N 3.07Å; F381-V426 HydrophobicContact CD2-CG2 4.07Å; F381-V426 HydrophobicContact CE2-CB 4.28Å; F381-V426 HydrophobicContact CE2-CG2 3.84Å
382W95.9Very high93.2Very high1 Ų171 Ų710%0.00436%0.358CS..EExtended strand (participates in β ladder)trans-111132.6173.7-75.686.8000109.4L368 V389 V406 L408 Y421 T422 V423L368-W382 HydrophobicContact CB-CH2 3.93Å; L368-W382 HydrophobicContact CB-CZ3 4.13Å; L368-W382 HydrophobicContact CD1-CZ3 4.21Å; W382-V389 HydrophobicContact CB-CB 4.09Å; W382-V389 HydrophobicContact CB-CG2 4.26Å; W382-V389 PolarHBondContact O-N 3.27Å; W382-V406 HydrophobicContact CZ2-CG1 4.31Å; W382-L408 HydrophobicContact CB-CD2 4.45Å; W382-L408 HydrophobicContact CD2-CB 4.25Å; W382-L408 HydrophobicContact CD2-CD2 3.77Å; W382-L408 HydrophobicContact CD2-CG 4.49Å; W382-L408 HydrophobicContact CE3-CD2 3.7Å; W382-L408 HydrophobicContact CG-CD2 4.12Å; W382-L408 HydrophobicContact CH2-CB 4.18Å; W382-L408 HydrophobicContact CZ2-CB 3.89Å; W382-L408 HydrophobicContact CZ3-CB 4.49Å; W382-L408 HydrophobicContact CZ3-CD2 4.17Å; W382-Y421 HydrophobicContact CE3-CD1 4.34Å; W382-T422 CarbonylContact C-O 3.52Å; W382-T422 WeakPolarHBondContact CA-O 3.27Å; W382-V423 HydrophobicContact CD2-CB 3.89Å; W382-V423 HydrophobicContact CD2-CG2 4.22Å; W382-V423 HydrophobicContact CE3-CB 3.91Å; W382-V423 HydrophobicContact CH2-CB 3.91Å; W382-V423 HydrophobicContact CH2-CG1 4.15Å; W382-V423 HydrophobicContact CH2-CG2 4.42Å; W382-V423 HydrophobicContact CZ2-CB 3.86Å; W382-V423 HydrophobicContact CZ2-CG1 4.41Å; W382-V423 HydrophobicContact CZ2-CG2 3.88Å; W382-V423 HydrophobicContact CZ3-CB 3.93Å; W382-V423 HydrophobicContact CZ3-CG1 4.33Å
383K95.8Very high92.9Very high82 Ų8273.8 Ų73.836%0.35738%0.376SS..EExtended strand (participates in β ladder)trans-119.9142.3171.6-63.6-177.7177.1-170.80110.5E387 M388 Y421 T422K383-E387 CarbonylContact C-O 3.59Å; K383-E387 WeakPolarHBondContact CA-O 3.44Å; K383-E387 WeakPolarHBondContact CB-O 3.49Å; K383-M388 HydrophobicContact CD-SD 4.24Å; K383-M388 VanDerWaalsContact CE-SD 3.5Å; K383-M388 HydrophobicContact CG-SD 3.72Å; K383-Y421 CarbonylContact O-C 3.55Å; K383-Y421 VanDerWaalsContact O-CA 3.27Å; K383-Y421 WeakPolarHBondContact O-CA 3.36Å; K383-T422 PolarHBondContact N-O 3.16Å; K383-T422 PolarHBondContact O-N 3.06Å
384R95.3Very high92.6Very high62 Ų6280.1 Ų80.123%0.23441%0.408CS..EExtended strand (participates in β ladder)trans-116.5121.2170-179.8-16867.9-172.11107.4N386 E387 V389 K416 D417 W420 Y421R384-N386 PolarHBondContact O-N 3.34Å; R384-E387 PolarHBondContact N-O 2.8Å; R384-E387 PolarHBondContact O-N 2.81Å; R384-V389 HydrophobicContact CB-CG2 3.66Å; R384-K416 PolarHBondContact NH1-O 2.83Å; R384-D417 IonicContact NH1-OD1 3.6Å; R384-D417 PolarHBondContact NH1-OD1 2.86Å; R384-W420 CarbonylContact C-O 3.54Å; R384-W420 WeakPolarHBondContact CA-O 3.4Å; R384-Y421 HydrophobicContact CB-CD1 4.31Å; R384-Y421 HydrophobicContact CB-CE1 4.01Å; R384-Y421 WeakPolarHBondContact CD-OH 3.41Å; R384-Y421 HydrophobicContact CG-CD2 4.48Å; R384-Y421 HydrophobicContact CG-CE1 4.17Å; R384-Y421 HydrophobicContact CG-CE2 3.94Å
385N92.5Very high92.6Very high82 Ų8282.5 Ų82.544%0.43941%0.414SS..THydrogen-bonded Turntrans5043-178.5-55.5-28.9000112.6E387 G419 W420N385-E387 VanDerWaalsContact C-N 3.28Å; N385-E387 PolarHBondContact O-N 2.76Å; N385-G419 WeakPolarHBondContact OD1-CA 3.44Å; N385-W420 PolarHBondContact N-O 3.4Å; N385-W420 PolarHBondContact OD1-N 3.04Å
386N88.8Confident92.9Very high135 Ų13579.7 Ų79.772%0.72240%0.399SS*.THydrogen-bonded Turntrans71.3-9-174.7-60.6-21.4000117.8R384R384-N386 PolarHBondContact O-N 3.34Å
387E93.6Very high93.1Very high129 Ų12978.1 Ų78.160%0.60339%0.39SS*.EExtended strand (participates in β ladder)trans-85.5146.2173.7-61.3179.6158.500111.6K383 R384 N385 V389K383-E387 CarbonylContact C-O 3.59Å; K383-E387 WeakPolarHBondContact CA-O 3.44Å; K383-E387 WeakPolarHBondContact CB-O 3.49Å; R384-E387 PolarHBondContact N-O 2.8Å; R384-E387 PolarHBondContact O-N 2.81Å; N385-E387 VanDerWaalsContact C-N 3.28Å; N385-E387 PolarHBondContact O-N 2.76Å; E387-V389 PolarHBondContact O-N 3.09Å
388M94.1Very high93.3Very high102 Ų10274.5 Ų74.550%0.50236%0.364SS..EExtended strand (participates in β ladder)trans-69.9126.3178.2-66.6-75-85.500111.1F381 K383 Q390F381-M388 HydrophobicContact CB-CE 4.33Å; F381-M388 HydrophobicContact CD1-CE 3.77Å; F381-M388 HydrophobicContact CG-CE 4.42Å; K383-M388 HydrophobicContact CD-SD 4.24Å; K383-M388 VanDerWaalsContact CE-SD 3.5Å; K383-M388 HydrophobicContact CG-SD 3.72Å; M388-Q390 PolarHBondContact O-N 3.15Å
389V92.8Very high93.2Very high16 Ų1679.8 Ų79.810%0.09738%0.383CS..PPolyproline II helixtrans-75.5122.2175.5-179.50000108.9W382 R384 E387 F391 I396 Y421W382-V389 HydrophobicContact CB-CB 4.09Å; W382-V389 HydrophobicContact CB-CG2 4.26Å; W382-V389 PolarHBondContact O-N 3.27Å; R384-V389 HydrophobicContact CB-CG2 3.66Å; E387-V389 PolarHBondContact O-N 3.09Å; V389-F391 WeakPolarHBondContact O-CD1 3.44Å; V389-I396 HydrophobicContact CG1-CD1 4.21Å; V389-I396 HydrophobicContact CG1-CG2 4.14Å; V389-Y421 HydrophobicContact CG2-CD1 4.39Å; V389-Y421 HydrophobicContact CG2-CE1 4.17Å
390Q91.5Very high93.1Very high145 Ų14577 Ų7768%0.67837%0.372SS*.PPolyproline II helixtrans-76.5121.6167.2-59.1-58.3-33.500109M388M388-Q390 PolarHBondContact O-N 3.15Å
391F90Very high92.9Very high68 Ų6879 Ų7930%0.29838%0.383SS..  trans-121.6171.4177.854.9-98.2000110.1V389 T393 I396 L398 L408V389-F391 WeakPolarHBondContact O-CD1 3.44Å; F391-T393 VanDerWaalsContact C-N 3.33Å; F391-I396 CarbonylContact C-O 3.45Å; F391-I396 WeakPolarHBondContact CA-O 3.21Å; F391-I396 HydrophobicContact CB-CG2 4Å; F391-L398 HydrophobicContact CB-CB 4.11Å; F391-L398 HydrophobicContact CD1-CD2 4.4Å; F391-L398 HydrophobicContact CD2-CB 3.63Å; F391-L398 HydrophobicContact CD2-CD2 3.86Å; F391-L398 HydrophobicContact CD2-CG 4.41Å; F391-L398 HydrophobicContact CE1-CD2 4.2Å; F391-L398 HydrophobicContact CE2-CB 4.25Å; F391-L398 HydrophobicContact CE2-CD2 3.63Å; F391-L398 HydrophobicContact CG-CB 3.91Å; F391-L398 HydrophobicContact CG-CD2 4.25Å; F391-L398 HydrophobicContact CZ-CD2 3.82Å; F391-L408 HydrophobicContact CB-CD1 4.24Å
392N88.9Confident92.5Very high118 Ų11883 Ų8363%0.63141%0.408SS*.SBendtrans64.837.3-165.5-52.7-20.8000112.6I396N392-I396 WeakPolarHBondContact CA-O 3.46Å; N392-I396 PolarHBondContact N-O 2.95Å
393T91.4Very high92.2Very high66 Ų6686.4 Ų86.441%0.40543%0.429SS..SBendtrans-102.9166.6164.360.60000109.2F391 R395 I396F391-T393 VanDerWaalsContact C-N 3.33Å; T393-R395 PolarHBondContact O-N 2.92Å; T393-R395 VanDerWaalsContact O-N 3.08Å; T393-I396 PolarHBondContact N-O 3.44Å; T393-I396 CarbonylContact O-C 3.6Å; T393-I396 PolarHBondContact O-N 2.85Å; T393-I396 VanDerWaalsContact O-O 3.13Å; T393-I396 PolarHBondContact OG1-N 2.9Å; T393-I396 PolarHBondContact OG1-O 2.85Å
394D89.7Confident91.9Very high155 Ų15583.1 Ų83.183%0.82942%0.419SS*.SBendtrans-54.4-32.2178-58.9-40.8000112.9K411D394-K411 PolarHBondContact O-NZ 3.16Å
395R93.7Very high92Very high66 Ų6686.4 Ų86.425%0.24943%0.431CS..SBendtrans-93.9-36.9-177.2-159.8179.278109.25.6114T393 K411 D412 N414 D417T393-R395 PolarHBondContact O-N 2.92Å; T393-R395 VanDerWaalsContact O-N 3.08Å; R395-K411 HydrophobicContact CG-CB 4.29Å; R395-K411 WeakPolarHBondContact CG-O 3.26Å; R395-K411 PolarHBondContact O-N 3.19Å; R395-D412 PolarHBondContact NH1-O 3.49Å; R395-N414 PolarHBondContact NH1-ND2 2.88Å; R395-N414 VanDerWaalsContact NH1-ND2 3.12Å; R395-D417 IonicContact CZ-OD1 3.52Å; R395-D417 IonicContact CZ-OD2 2.62Å; R395-D417 IonicContact NH1-OD1 2.75Å; R395-D417 IonicContact NH1-OD2 3.54Å; R395-D417 PolarHBondContact NH1-OD2 3.21Å; R395-D417 VanDerWaalsContact NH2-CG 3.34Å; R395-D417 IonicContact NH2-OD1 3.69Å; R395-D417 PolarHBondContact NH2-OD1 2.94Å; R395-D417 IonicContact NH2-OD2 3.91Å; R395-D417 PolarHBondContact NH2-OD2 3.02Å
396I95.3Very high92.1Very high15 Ų1582.5 Ų82.58%0.07741%0.411CS..EExtended strand (participates in β ladder)trans-120.9115.6-177.8-56.2-179.5000110.1V389 F391 N392 T393 L408 L409 I410V389-I396 HydrophobicContact CG1-CD1 4.21Å; V389-I396 HydrophobicContact CG1-CG2 4.14Å; F391-I396 CarbonylContact C-O 3.45Å; F391-I396 WeakPolarHBondContact CA-O 3.21Å; F391-I396 HydrophobicContact CB-CG2 4Å; N392-I396 WeakPolarHBondContact CA-O 3.46Å; N392-I396 PolarHBondContact N-O 2.95Å; T393-I396 PolarHBondContact N-O 3.44Å; T393-I396 CarbonylContact O-C 3.6Å; T393-I396 PolarHBondContact O-N 2.85Å; T393-I396 VanDerWaalsContact O-O 3.13Å; T393-I396 PolarHBondContact OG1-N 2.9Å; T393-I396 PolarHBondContact OG1-O 2.85Å; I396-L408 HydrophobicContact CG2-CD1 3.69Å; I396-L408 HydrophobicContact CG2-CG 4.4Å; I396-L409 CarbonylContact C-O 3.59Å; I396-L409 WeakPolarHBondContact CA-O 3.31Å; I396-I410 HydrophobicContact CG1-CG1 4.25Å; I396-I410 HydrophobicContact CG1-CG2 4.21Å; I396-I410 HydrophobicContact CG2-CG1 4.33Å
397S95.2Very high92.5Very high15 Ų1576.8 Ų76.811%0.10538%0.381CS..EExtended strand (participates in β ladder)trans-123.2137.7-176.8-44.30000110.7L409S397-L409 PolarHBondContact N-O 2.51Å; S397-L409 PolarHBondContact O-N 3.32Å
398L95Very high92.6Very high33 Ų3370.7 Ų70.717%0.17335%0.352CS..EExtended strand (participates in β ladder)trans-107.8122.5175.8-178.665.5000109.7F391 V406 L408F391-L398 HydrophobicContact CB-CB 4.11Å; F391-L398 HydrophobicContact CD1-CD2 4.4Å; F391-L398 HydrophobicContact CD2-CB 3.63Å; F391-L398 HydrophobicContact CD2-CD2 3.86Å; F391-L398 HydrophobicContact CD2-CG 4.41Å; F391-L398 HydrophobicContact CE1-CD2 4.2Å; F391-L398 HydrophobicContact CE2-CB 4.25Å; F391-L398 HydrophobicContact CE2-CD2 3.63Å; F391-L398 HydrophobicContact CG-CB 3.91Å; F391-L398 HydrophobicContact CG-CD2 4.25Å; F391-L398 HydrophobicContact CZ-CD2 3.82Å; L398-V406 HydrophobicContact CD1-CG1 3.79Å; L398-L408 HydrophobicContact CD1-CB 4.45Å; L398-L408 HydrophobicContact CD1-CD1 4.33Å
399Y93.9Very high92.8Very high125 Ų12566.9 Ų66.949%0.4933%0.333SS..EExtended strand (participates in β ladder)trans-112.5139.5175.7-56.2-79.6000110.3V406 T407 L409Y399-V406 WeakPolarHBondContact O-CA 3.46Å; Y399-T407 PolarHBondContact N-O 2.93Å; Y399-T407 PolarHBondContact O-N 2.87Å; Y399-L409 HydrophobicContact CD2-CB 4.34Å; Y399-L409 HydrophobicContact CE2-CB 3.87Å; Y399-L409 HydrophobicContact CE2-CD2 3.89Å
400Q92.3Very high92.9Very high102 Ų10266.1 Ų66.148%0.47733%0.329SS..EExtended strand (participates in β ladder)trans-135.7135.3173.8-177.8172.97.100109.1R405 V406Q400-R405 VanDerWaalsContact CA-O 3.32Å; Q400-R405 WeakPolarHBondContact CA-O 3.38Å; Q400-V406 HydrophobicContact CG-CG2 4.24Å
401D89.5Confident93.1Very high59 Ų5962.7 Ų62.732%0.31631%0.312SS..  trans-108.6171.7175.77619.5000112.9T403 G404 R405D401-T403 VanDerWaalsContact CG-OG1 3.24Å; D401-T403 PolarHBondContact O-N 3.36Å; D401-T403 VanDerWaalsContact OD1-CA 3.25Å; D401-T403 WeakPolarHBondContact OD1-CA 3.45Å; D401-T403 WeakPolarHBondContact OD1-CB 3.34Å; D401-T403 PolarHBondContact OD1-N 3.35Å; D401-T403 PolarHBondContact OD1-OG1 2.85Å; D401-T403 PolarHBondContact OD2-OG1 3.04Å; D401-T403 VanDerWaalsContact OD2-OG1 3.12Å; D401-G404 PolarHBondContact O-N 2.77Å; D401-G404 PolarHBondContact OD1-N 3.36Å; D401-G404 VanDerWaalsContact OD1-N 3.08Å; D401-R405 VanDerWaalsContact CG-CB 3.46Å; D401-R405 PolarHBondContact N-O 3.1Å; D401-R405 WeakPolarHBondContact OD1-CB 3.42Å; D401-R405 PolarHBondContact OD1-N 3.14Å; D401-R405 WeakPolarHBondContact OD2-CB 3.3Å; D401-R405 IonicContact OD2-NE 3.63Å
402N87.7Confident93.3Very high166 Ų16664.2 Ų64.289%0.88832%0.323SS*.THydrogen-bonded Turntrans-72-8.8177.563.7-13000114G404N402-G404 VanDerWaalsContact C-N 3.32Å
403T89.3Confident93.6Very high73 Ų7358.6 Ų58.645%0.44829%0.293SS..THydrogen-bonded Turntrans-88.6-2173.581.40000112.5Q371 D401Q371-T403 PolarHBondContact NE2-O 2.84Å; D401-T403 VanDerWaalsContact CG-OG1 3.24Å; D401-T403 PolarHBondContact O-N 3.36Å; D401-T403 VanDerWaalsContact OD1-CA 3.25Å; D401-T403 WeakPolarHBondContact OD1-CA 3.45Å; D401-T403 WeakPolarHBondContact OD1-CB 3.34Å; D401-T403 PolarHBondContact OD1-N 3.35Å; D401-T403 PolarHBondContact OD1-OG1 2.85Å; D401-T403 PolarHBondContact OD2-OG1 3.04Å; D401-T403 VanDerWaalsContact OD2-OG1 3.12Å
404G90.4Very high93.7Very high13 Ų1357.8 Ų57.813%0.13429%0.286CS..SBendtrans82.211.4-175.900000113.7Q371 I372 D401 N402Q371-G404 CarbonylContact C-O 3.6Å; Q371-G404 WeakPolarHBondContact CA-O 3.31Å; I372-G404 PolarHBondContact N-O 3.06Å; I372-G404 WeakPolarHBondContact O-CA 3.31Å; D401-G404 PolarHBondContact O-N 2.77Å; D401-G404 PolarHBondContact OD1-N 3.36Å; D401-G404 VanDerWaalsContact OD1-N 3.08Å; N402-G404 VanDerWaalsContact C-N 3.32Å
405R95.7Very high93.8Very high131 Ų13156.5 Ų56.549%0.49427%0.273SS..EExtended strand (participates in β ladder)trans-71.6138.4171.5-164.4-175.2-60.7-145.3-4109.2C370 Q400 D401C370-R405 WeakPolarHBondContact O-CA 3.5Å; Q400-R405 VanDerWaalsContact CA-O 3.32Å; Q400-R405 WeakPolarHBondContact CA-O 3.38Å; D401-R405 VanDerWaalsContact CG-CB 3.46Å; D401-R405 PolarHBondContact N-O 3.1Å; D401-R405 WeakPolarHBondContact OD1-CB 3.42Å; D401-R405 PolarHBondContact OD1-N 3.14Å; D401-R405 WeakPolarHBondContact OD2-CB 3.3Å; D401-R405 IonicContact OD2-NE 3.63Å
406V96.1Very high93.7Very high1 Ų161.4 Ų61.41%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-129.8125.4178.5177.80000108E369 C370 I372 L380 W382 L398 Y399 Q400E369-V406 CarbonylContact C-O 3.47Å; E369-V406 WeakPolarHBondContact CA-O 3.39Å; C370-V406 PolarHBondContact N-O 2.94Å; C370-V406 PolarHBondContact O-N 3.37Å; I372-V406 HydrophobicContact CD1-CG2 4.2Å; L380-V406 HydrophobicContact CD1-CB 4.32Å; L380-V406 HydrophobicContact CD1-CG1 3.79Å; L380-V406 HydrophobicContact CD1-CG2 3.51Å; L380-V406 HydrophobicContact CD2-CG2 4.3Å; W382-V406 HydrophobicContact CZ2-CG1 4.31Å; L398-V406 HydrophobicContact CD1-CG1 3.79Å; Y399-V406 WeakPolarHBondContact O-CA 3.46Å; Q400-V406 HydrophobicContact CG-CG2 4.24Å
407T96.4Very high93.6Very high15 Ų1560.7 Ų60.79%0.09229%0.293CS..EExtended strand (participates in β ladder)trans-127.1112.8-179.5-64.80000109.5K367 E369 Y399K367-T407 HydrophobicContact CB-CG2 3.94Å; K367-T407 HydrophobicContact CD-CG2 4.12Å; K367-T407 HydrophobicContact CG-CG2 3.96Å; E369-T407 HydrophobicContact CG-CG2 3.8Å; E369-T407 WeakPolarHBondContact CG-OG1 3.27Å; E369-T407 WeakPolarHBondContact OE1-CG2 3.42Å; E369-T407 PolarHBondContact OE1-OG1 2.87Å; Y399-T407 PolarHBondContact N-O 2.93Å; Y399-T407 PolarHBondContact O-N 2.87Å
408L96.6Very high93.6Very high0 Ų061.6 Ų61.60%030%0.301CS..EExtended strand (participates in β ladder)trans-86.9108.8165.5-175.671.3000108.2K367 L368 W382 F391 I396 L398 I410 Y421K367-L408 WeakPolarHBondContact CA-O 3.48Å; L368-L408 HydrophobicContact CB-CB 4.41Å; L368-L408 PolarHBondContact N-O 3.35Å; L368-L408 PolarHBondContact O-N 3.41Å; W382-L408 HydrophobicContact CB-CD2 4.45Å; W382-L408 HydrophobicContact CD2-CB 4.25Å; W382-L408 HydrophobicContact CD2-CD2 3.77Å; W382-L408 HydrophobicContact CD2-CG 4.49Å; W382-L408 HydrophobicContact CE3-CD2 3.7Å; W382-L408 HydrophobicContact CG-CD2 4.12Å; W382-L408 HydrophobicContact CH2-CB 4.18Å; W382-L408 HydrophobicContact CZ2-CB 3.89Å; W382-L408 HydrophobicContact CZ3-CB 4.49Å; W382-L408 HydrophobicContact CZ3-CD2 4.17Å; F391-L408 HydrophobicContact CB-CD1 4.24Å; I396-L408 HydrophobicContact CG2-CD1 3.69Å; I396-L408 HydrophobicContact CG2-CG 4.4Å; L398-L408 HydrophobicContact CD1-CB 4.45Å; L398-L408 HydrophobicContact CD1-CD1 4.33Å; L408-I410 HydrophobicContact CD2-CD1 4.4Å; L408-I410 HydrophobicContact CG-CG1 4.44Å; L408-Y421 HydrophobicContact CD2-CD1 4.07Å; L408-Y421 HydrophobicContact CD2-CE1 4.16Å
409L96.7Very high93.6Very high22 Ų2260.7 Ų60.712%0.11530%0.3CS..EExtended strand (participates in β ladder)trans-91.3127.1173.6176.567.6000109.1V366 K367 I396 S397 Y399 K411V366-L409 WeakPolarHBondContact O-CA 3.41Å; K367-L409 HydrophobicContact CG-CD1 3.75Å; I396-L409 CarbonylContact C-O 3.59Å; I396-L409 WeakPolarHBondContact CA-O 3.31Å; S397-L409 PolarHBondContact N-O 2.51Å; S397-L409 PolarHBondContact O-N 3.32Å; Y399-L409 HydrophobicContact CD2-CB 4.34Å; Y399-L409 HydrophobicContact CE2-CB 3.87Å; Y399-L409 HydrophobicContact CE2-CD2 3.89Å; L409-K411 HydrophobicContact CD2-CG 4.36Å; L409-K411 HydrophobicContact CG-CG 4.36Å
410I96.5Very high93.7Very high0 Ų061 Ų610%030%0.3CS..EExtended strand (participates in β ladder)trans-119114.9170.2-55.8163.2000106.5S365 V366 I396 L408 V413 Y421 L438S365-I410 CarbonylContact C-O 3.5Å; S365-I410 VanDerWaalsContact CA-O 3.32Å; S365-I410 WeakPolarHBondContact CA-O 3.42Å; V366-I410 HydrophobicContact CG1-CB 3.89Å; V366-I410 HydrophobicContact CG1-CD1 4.22Å; V366-I410 HydrophobicContact CG1-CG1 4.48Å; V366-I410 PolarHBondContact N-O 2.98Å; V366-I410 PolarHBondContact O-N 2.87Å; I396-I410 HydrophobicContact CG1-CG1 4.25Å; I396-I410 HydrophobicContact CG1-CG2 4.21Å; I396-I410 HydrophobicContact CG2-CG1 4.33Å; L408-I410 HydrophobicContact CD2-CD1 4.4Å; L408-I410 HydrophobicContact CG-CG1 4.44Å; I410-V413 HydrophobicContact CB-CG2 4.25Å; I410-V413 HydrophobicContact CG2-CG2 3.83Å; I410-Y421 HydrophobicContact CD1-CE1 3.81Å; I410-Y421 WeakPolarHBondContact CD1-OH 3.48Å; I410-L438 HydrophobicContact CD1-CD2 4.23Å
411K95.5Very high94Very high73 Ų7356.2 Ų56.232%0.31728%0.278SS..  trans-85.4163170.8-54.4177.1-164.6155.80110.1S365 D394 R395 L409 V413S365-K411 WeakPolarHBondContact OG-CA 3.18Å; D394-K411 PolarHBondContact O-NZ 3.16Å; R395-K411 HydrophobicContact CG-CB 4.29Å; R395-K411 WeakPolarHBondContact CG-O 3.26Å; R395-K411 PolarHBondContact O-N 3.19Å; L409-K411 HydrophobicContact CD2-CG 4.36Å; L409-K411 HydrophobicContact CG-CG 4.36Å; K411-V413 VanDerWaalsContact C-N 3.28Å; K411-V413 PolarHBondContact O-N 3.31Å
412D93.6Very high94.3Very high100 Ų10054.1 Ų54.154%0.53527%0.267SS..SBendtrans43.255.5173-48.9-32.8000112.1D364 R395 N414D364-D412 PolarHBondContact O-N 3.17Å; R395-D412 PolarHBondContact NH1-O 3.49Å; D412-N414 PolarHBondContact O-N 2.89Å
413V95.4Very high94.7Very high0 Ų046.2 Ų46.20%023%0.225CC..  trans-63124.3-173.31710000109.6E362 G363 D364 V366 I410 K411 D417 L438 V440E362-V413 CarbonylContact C-O 3.54Å; E362-V413 WeakPolarHBondContact CA-O 3.31Å; G363-V413 PolarHBondContact N-O 3.15Å; D364-V413 VanDerWaalsContact O-CB 3.3Å; D364-V413 WeakPolarHBondContact O-CB 3.33Å; D364-V413 WeakPolarHBondContact O-CG2 3.41Å; D364-V413 PolarHBondContact O-N 2.99Å; V366-V413 HydrophobicContact CB-CG2 4.22Å; V366-V413 HydrophobicContact CG1-CG2 3.63Å; I410-V413 HydrophobicContact CB-CG2 4.25Å; I410-V413 HydrophobicContact CG2-CG2 3.83Å; K411-V413 VanDerWaalsContact C-N 3.28Å; K411-V413 PolarHBondContact O-N 3.31Å; V413-D417 HydrophobicContact CG1-CB 4.32Å; V413-L438 HydrophobicContact CG1-CD2 4.49Å; V413-V440 HydrophobicContact CG1-CB 4.28Å; V413-V440 HydrophobicContact CG1-CG1 3.88Å; V413-V440 HydrophobicContact CG1-CG2 3.37Å
414N93.5Very high95.1Very high50 Ų5043.8 Ų43.827%0.26721%0.211SC..  trans-115.2169.3179.868.153.8000111.6R395 D412 K416 D417R395-N414 PolarHBondContact NH1-ND2 2.88Å; R395-N414 VanDerWaalsContact NH1-ND2 3.12Å; D412-N414 PolarHBondContact O-N 2.89Å; N414-K416 PolarHBondContact O-N 3.37Å; N414-K416 WeakPolarHBondContact OD1-CA 3.32Å; N414-K416 WeakPolarHBondContact OD1-CB 3.41Å; N414-K416 PolarHBondContact OD1-N 2.86Å; N414-D417 PolarHBondContact N-OD2 2.87Å; N414-D417 WeakPolarHBondContact O-CB 3.26Å; N414-D417 PolarHBondContact O-N 3.49Å; N414-D417 PolarHBondContact OD1-N 3.28Å; N414-D417 PolarHBondContact OD1-OD2 3.35Å
415K91.6Very high95.4Very high127 Ų12743.1 Ų43.155%0.55220%0.204SC*.G310 helixtrans-54.5-25.5178.8-74167.4-175.3160.90115.1E362 D417 A418E362-K415 WeakPolarHBondContact OE1-CG 3.36Å; E362-K415 PolarHBondContact OE1-N 3.33Å; E362-K415 WeakPolarHBondContact OE2-CE 3.25Å; E362-K415 IonicContact OE2-NZ 3.17Å; K415-D417 VanDerWaalsContact C-N 3.28Å; K415-D417 PolarHBondContact O-N 3.5Å; K415-A418 WeakPolarHBondContact O-CB 3.23Å; K415-A418 PolarHBondContact O-N 3.41Å
416K91.7Very high95.4Very high169 Ų16939.5 Ų39.574%0.73520%0.196SC*.G310 helixtrans-77.2-12.7177.4-51.7178.9178.2178.20112.9R384 N414R384-K416 PolarHBondContact NH1-O 2.83Å; N414-K416 PolarHBondContact O-N 3.37Å; N414-K416 WeakPolarHBondContact OD1-CA 3.32Å; N414-K416 WeakPolarHBondContact OD1-CB 3.41Å; N414-K416 PolarHBondContact OD1-N 2.86Å
417D93.3Very high95.4Very high0 Ų040.4 Ų40.40%020%0.201CC..G310 helixtrans-85.9-11.9174.1-56.9-48000113R384 R395 V413 N414 K415 Y421 L438R384-D417 IonicContact NH1-OD1 3.6Å; R384-D417 PolarHBondContact NH1-OD1 2.86Å; R395-D417 IonicContact CZ-OD1 3.52Å; R395-D417 IonicContact CZ-OD2 2.62Å; R395-D417 IonicContact NH1-OD1 2.75Å; R395-D417 IonicContact NH1-OD2 3.54Å; R395-D417 PolarHBondContact NH1-OD2 3.21Å; R395-D417 VanDerWaalsContact NH2-CG 3.34Å; R395-D417 IonicContact NH2-OD1 3.69Å; R395-D417 PolarHBondContact NH2-OD1 2.94Å; R395-D417 IonicContact NH2-OD2 3.91Å; R395-D417 PolarHBondContact NH2-OD2 3.02Å; V413-D417 HydrophobicContact CG1-CB 4.32Å; N414-D417 PolarHBondContact N-OD2 2.87Å; N414-D417 WeakPolarHBondContact O-CB 3.26Å; N414-D417 PolarHBondContact O-N 3.49Å; N414-D417 PolarHBondContact OD1-N 3.28Å; N414-D417 PolarHBondContact OD1-OD2 3.35Å; K415-D417 VanDerWaalsContact C-N 3.28Å; K415-D417 PolarHBondContact O-N 3.5Å; D417-Y421 VanDerWaalsContact O-CE2 3.26Å; D417-Y421 WeakPolarHBondContact O-CE2 3.32Å; D417-Y421 PolarHBondContact O-OH 3.36Å; D417-L438 HydrophobicContact CB-CD2 4.42Å
418A95.1Very high95.2Very high34 Ų3445.3 Ų45.328%0.28122%0.223SC..  trans-62.2138.217300000111K415 L438 V440K415-A418 WeakPolarHBondContact O-CB 3.23Å; K415-A418 PolarHBondContact O-N 3.41Å; A418-L438 WeakPolarHBondContact CA-O 3.26Å; A418-V440 HydrophobicContact CB-CB 4.16Å; A418-V440 HydrophobicContact CB-CG2 3.94Å
419G95.3Very high94.9Very high14 Ų1447.3 Ų47.314%0.14424%0.24CC..EExtended strand (participates in β ladder)trans150.8-167.5177.300000115.3N385 L438N385-G419 WeakPolarHBondContact OD1-CA 3.44Å; G419-L438 PolarHBondContact N-O 2.95Å; G419-L438 PolarHBondContact O-N 3.38Å
420W96.8Very high94.8Very high132 Ų13247.6 Ų47.650%0.525%0.248SC..EExtended strand (participates in β ladder)trans-90.7120.5176.6-69.4100.1000110.3R384 N385 T436 R437R384-W420 CarbonylContact C-O 3.54Å; R384-W420 WeakPolarHBondContact CA-O 3.4Å; N385-W420 PolarHBondContact N-O 3.4Å; N385-W420 PolarHBondContact OD1-N 3.04Å; W420-T436 CarbonylContact C-O 3.53Å; W420-T436 WeakPolarHBondContact CA-O 3.5Å; W420-R437 HydrophobicContact CD2-CB 4.36Å; W420-R437 HydrophobicContact CE3-CB 3.91Å; W420-R437 HydrophobicContact CH2-CB 4.27Å; W420-R437 HydrophobicContact CZ3-CB 3.87Å
421Y97.1Very high94.8Very high1 Ų152.2 Ų52.20%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-99.5125.7172.8-75.7-101.8000109.6L368 W382 K383 R384 V389 L408 I410 D417 N435 T436 L438L368-Y421 HydrophobicContact CD1-CD1 3.79Å; L368-Y421 HydrophobicContact CD1-CD2 3.94Å; L368-Y421 HydrophobicContact CD1-CE1 4.31Å; L368-Y421 HydrophobicContact CD1-CE2 4.46Å; L368-Y421 HydrophobicContact CD1-CG 3.58Å; W382-Y421 HydrophobicContact CE3-CD1 4.34Å; K383-Y421 CarbonylContact O-C 3.55Å; K383-Y421 VanDerWaalsContact O-CA 3.27Å; K383-Y421 WeakPolarHBondContact O-CA 3.36Å; R384-Y421 HydrophobicContact CB-CD1 4.31Å; R384-Y421 HydrophobicContact CB-CE1 4.01Å; R384-Y421 WeakPolarHBondContact CD-OH 3.41Å; R384-Y421 HydrophobicContact CG-CD2 4.48Å; R384-Y421 HydrophobicContact CG-CE1 4.17Å; R384-Y421 HydrophobicContact CG-CE2 3.94Å; V389-Y421 HydrophobicContact CG2-CD1 4.39Å; V389-Y421 HydrophobicContact CG2-CE1 4.17Å; L408-Y421 HydrophobicContact CD2-CD1 4.07Å; L408-Y421 HydrophobicContact CD2-CE1 4.16Å; I410-Y421 HydrophobicContact CD1-CE1 3.81Å; I410-Y421 WeakPolarHBondContact CD1-OH 3.48Å; D417-Y421 VanDerWaalsContact O-CE2 3.26Å; D417-Y421 WeakPolarHBondContact O-CE2 3.32Å; D417-Y421 PolarHBondContact O-OH 3.36Å; Y421-N435 CarbonylContact O-C 3.49Å; Y421-N435 WeakPolarHBondContact O-CA 3.45Å; Y421-T436 PolarHBondContact N-O 3.15Å; Y421-T436 PolarHBondContact O-N 2.94Å; Y421-L438 HydrophobicContact CD2-CB 3.97Å; Y421-L438 HydrophobicContact CE2-CB 3.75Å; Y421-L438 HydrophobicContact CE2-CD2 3.91Å; Y421-L438 HydrophobicContact CE2-CG 4.47Å
422T96.7Very high94.9Very high15 Ų1550.3 Ų50.39%0.09227%0.271CS..EExtended strand (participates in β ladder)trans-115118.1179-57.20000108.3W382 K383 T433 C434 N435W382-T422 CarbonylContact C-O 3.52Å; W382-T422 WeakPolarHBondContact CA-O 3.27Å; K383-T422 PolarHBondContact N-O 3.16Å; K383-T422 PolarHBondContact O-N 3.06Å; T422-T433 HydrophobicContact CG2-CG2 3.28Å; T422-C434 WeakPolarHBondContact CA-O 3.33Å; T422-N435 PolarHBondContact OG1-ND2 3.49Å
423V96.4Very high95.1Very high0 Ų048.7 Ų48.70%026%0.264CS..EExtended strand (participates in β ladder)trans-100.8123.6172.751.80000109.1F351 P355 F381 W382 T433 C434F351-V423 HydrophobicContact CE1-CG1 3.78Å; F351-V423 HydrophobicContact CE1-CG2 4.43Å; F351-V423 HydrophobicContact CZ-CG1 3.76Å; F351-V423 HydrophobicContact CZ-CG2 4.4Å; P355-V423 HydrophobicContact CG-CG1 3.79Å; F381-V423 WeakPolarHBondContact O-CA 3.42Å; W382-V423 HydrophobicContact CD2-CB 3.89Å; W382-V423 HydrophobicContact CD2-CG2 4.22Å; W382-V423 HydrophobicContact CE3-CB 3.91Å; W382-V423 HydrophobicContact CH2-CB 3.91Å; W382-V423 HydrophobicContact CH2-CG1 4.15Å; W382-V423 HydrophobicContact CH2-CG2 4.42Å; W382-V423 HydrophobicContact CZ2-CB 3.86Å; W382-V423 HydrophobicContact CZ2-CG1 4.41Å; W382-V423 HydrophobicContact CZ2-CG2 3.88Å; W382-V423 HydrophobicContact CZ3-CB 3.93Å; W382-V423 HydrophobicContact CZ3-CG1 4.33Å; V423-T433 CarbonylContact O-C 3.58Å; V423-T433 VanDerWaalsContact O-CA 3.29Å; V423-T433 WeakPolarHBondContact O-CA 3.48Å; V423-C434 HydrophobicContact CG1-CB 4.32Å; V423-C434 WeakPolarHBondContact CG1-O 3.38Å; V423-C434 PolarHBondContact N-O 3.42Å; V423-C434 PolarHBondContact O-N 2.84Å
424S96.6Very high95.1Very high22 Ų2249.5 Ų49.515%0.15427%0.27CS..EExtended strand (participates in β ladder)trans-116.1132.1175.1-64.10000109.5F381 T432 T433F381-S424 PolarHBondContact N-O 3.38Å; F381-S424 PolarHBondContact O-N 3.07Å; S424-T432 CarbonylContact C-O 3.51Å; S424-T432 WeakPolarHBondContact CA-O 3.22Å; S424-T433 WeakPolarHBondContact CB-OG1 3.26Å; S424-T433 WeakPolarHBondContact OG-CG2 3.5Å; S424-T433 PolarHBondContact OG-OG1 3.02Å
425A97Very high95.2Very high0 Ų051.5 Ų51.50%028%0.28CS..EExtended strand (participates in β ladder)trans-121.5128.5178.100000109.6P349 I372 P378 K379 L380 V431 T432P349-A425 HydrophobicContact CB-CB 3.98Å; I372-A425 HydrophobicContact CD1-CB 3.91Å; I372-A425 HydrophobicContact CG2-CB 4.13Å; P378-A425 HydrophobicContact CB-CB 4.07Å; P378-A425 HydrophobicContact CG-CB 4.27Å; K379-A425 WeakPolarHBondContact O-CA 3.32Å; L380-A425 HydrophobicContact CD2-CB 3.73Å; A425-V431 WeakPolarHBondContact O-CA 3.39Å; A425-T432 HydrophobicContact CB-CG2 4.06Å; A425-T432 PolarHBondContact N-O 3Å; A425-T432 PolarHBondContact O-N 3.36Å
426V96.8Very high95.5Very high54 Ų5445.5 Ų45.533%0.32725%0.254SS..EExtended strand (participates in β ladder)trans-129129.9-171.1-173.40000110P378 K379 F381 V431P378-V426 CarbonylContact C-O 3.58Å; P378-V426 WeakPolarHBondContact CA-O 3.2Å; K379-V426 PolarHBondContact N-O 3.16Å; K379-V426 PolarHBondContact O-N 3.08Å; F381-V426 HydrophobicContact CD2-CG2 4.07Å; F381-V426 HydrophobicContact CE2-CB 4.28Å; F381-V426 HydrophobicContact CE2-CG2 3.84Å; V426-V431 HydrophobicContact CG2-CB 4.27Å; V426-V431 HydrophobicContact CG2-CG2 3.84Å
427N95Very high95.7Very high21 Ų2142.5 Ų42.511%0.11224%0.238CC..EExtended strand (participates in β ladder)trans-134.4-179.8160.975.44.9000110R347 P349 I375 P376 P378 A429 G430R347-N427 PolarHBondContact O-ND2 3.46Å; P349-N427 WeakPolarHBondContact CD-OD1 3.45Å; P349-N427 HydrophobicContact CG-CB 4.2Å; I375-N427 VanDerWaalsContact C-ND2 3.34Å; I375-N427 PolarHBondContact O-ND2 2.88Å; I375-N427 VanDerWaalsContact O-ND2 3.14Å; P376-N427 PolarHBondContact O-ND2 3.45Å; P378-N427 HydrophobicContact CB-CB 4.5Å; N427-A429 PolarHBondContact O-N 2.82Å; N427-A429 WeakPolarHBondContact OD1-CA 3.33Å; N427-A429 WeakPolarHBondContact OD1-CB 3.14Å; N427-A429 PolarHBondContact OD1-N 3.41Å; N427-G430 PolarHBondContact N-O 3.28Å; N427-G430 PolarHBondContact O-N 2.83Å; N427-G430 VanDerWaalsContact O-N 3.11Å; N427-G430 PolarHBondContact OD1-N 2.81Å
428E93.2Very high95.9Very high117 Ų11742.5 Ų42.555%0.54724%0.238SC..THydrogen-bonded Turntrans-61.6-20.7179.352.9171.8177.500114.7K346 P376K346-E428 HydrophobicContact CD-CG 4.3Å; K346-E428 WeakPolarHBondContact CD-OE1 3.42Å; K346-E428 WeakPolarHBondContact CE-OE1 3.38Å; K346-E428 IonicContact NZ-OE1 3.77Å; K346-E428 PolarHBondContact NZ-OE1 2.85Å; K346-E428 IonicContact NZ-OE2 2.79Å; K346-E428 PolarHBondContact NZ-OE2 3.18Å; P376-E428 WeakPolarHBondContact CD-OE1 3.42Å; P376-E428 HydrophobicContact CG-CG 4.32Å; P376-E428 WeakPolarHBondContact CG-OE1 3.39Å
429A90.4Very high96Very high43 Ų4342.7 Ų42.736%0.35524%0.235SC..THydrogen-bonded Turntrans-89-11.1176.600000113.4K346 A348 N427K346-A429 HydrophobicContact CB-CB 4.1Å; A348-A429 HydrophobicContact CB-CB 4.27Å; A348-A429 WeakPolarHBondContact CB-O 3.33Å; N427-A429 PolarHBondContact O-N 2.82Å; N427-A429 WeakPolarHBondContact OD1-CA 3.33Å; N427-A429 WeakPolarHBondContact OD1-CB 3.14Å; N427-A429 PolarHBondContact OD1-N 3.41Å
430G93.7Very high96Very high27 Ų2743.1 Ų43.128%0.27824%0.235SC..EExtended strand (participates in β ladder)trans152.8-166.4173.700000115.2P349 N427P349-G430 WeakPolarHBondContact CD-O 3.22Å; N427-G430 PolarHBondContact N-O 3.28Å; N427-G430 PolarHBondContact O-N 2.83Å; N427-G430 VanDerWaalsContact O-N 3.11Å; N427-G430 PolarHBondContact OD1-N 2.81Å
431V97.1Very high95.8Very high97 Ų9740.1 Ų40.159%0.58823%0.231SC*.EExtended strand (participates in β ladder)trans-132145-177.4560000110.8A425 V426A425-V431 WeakPolarHBondContact O-CA 3.39Å; V426-V431 HydrophobicContact CG2-CB 4.27Å; V426-V431 HydrophobicContact CG2-CG2 3.84Å
432T97Very high95.3Very high34 Ų3442.4 Ų42.421%0.20925%0.25CC..EExtended strand (participates in β ladder)trans-131.8152.3165.1-166.30000110.1P349 F351 S424 A425P349-T432 HydrophobicContact CB-CG2 3.94Å; P349-T432 WeakPolarHBondContact O-CB 3.29Å; P349-T432 WeakPolarHBondContact O-CG2 3.48Å; F351-T432 HydrophobicContact CD2-CG2 3.8Å; F351-T432 HydrophobicContact CE2-CG2 3.47Å; F351-T432 VanDerWaalsContact CE2-CG2 3.47Å; F351-T432 HydrophobicContact CZ-CG2 4.14Å; S424-T432 CarbonylContact C-O 3.51Å; S424-T432 WeakPolarHBondContact CA-O 3.22Å; A425-T432 HydrophobicContact CB-CG2 4.06Å; A425-T432 PolarHBondContact N-O 3Å; A425-T432 PolarHBondContact O-N 3.36Å
433T97.2Very high94.7Very high66 Ų6647.2 Ų47.241%0.40527%0.266SS..EExtended strand (participates in β ladder)trans-140.5142179.9-65.40000110.1T422 V423 S424T422-T433 HydrophobicContact CG2-CG2 3.28Å; V423-T433 CarbonylContact O-C 3.58Å; V423-T433 VanDerWaalsContact O-CA 3.29Å; V423-T433 WeakPolarHBondContact O-CA 3.48Å; S424-T433 WeakPolarHBondContact CB-OG1 3.26Å; S424-T433 WeakPolarHBondContact OG-CG2 3.5Å; S424-T433 PolarHBondContact OG-OG1 3.02Å
434C96.5Very high93.7Very high17 Ų1752.7 Ų52.712%0.11530%0.302CS..EExtended strand (participates in β ladder)trans-141.6144174-168.90000111F351 T422 V423F351-C434 HydrophobicContact CD1-CB 4.48Å; F351-C434 HydrophobicContact CD2-CB 3.86Å; F351-C434 HydrophobicContact CE1-CB 4.12Å; F351-C434 HydrophobicContact CE2-CB 3.43Å; F351-C434 VanDerWaalsContact CE2-CB 3.43Å; F351-C434 HydrophobicContact CG-CB 4.37Å; F351-C434 HydrophobicContact CZ-CB 3.6Å; T422-C434 WeakPolarHBondContact CA-O 3.33Å; V423-C434 HydrophobicContact CG1-CB 4.32Å; V423-C434 WeakPolarHBondContact CG1-O 3.38Å; V423-C434 PolarHBondContact N-O 3.42Å; V423-C434 PolarHBondContact O-N 2.84Å
435N95.9Very high92.2Very high91 Ų9158.7 Ų58.749%0.48733%0.332SS..EExtended strand (participates in β ladder)trans-109.8146.4-178-60.744.5000109.9Y421 T422Y421-N435 CarbonylContact O-C 3.49Å; Y421-N435 WeakPolarHBondContact O-CA 3.45Å; T422-N435 PolarHBondContact OG1-ND2 3.49Å
436T96.8Very high90.2Very high1 Ų167.2 Ų67.21%0.00637%0.372CS..EExtended strand (participates in β ladder)trans-144.5161.9176.5-159.60000109.8P355 Q356 S357 L368 W420 Y421P355-T436 HydrophobicContact CB-CG2 4.02Å; P355-T436 HydrophobicContact CG-CG2 4.19Å; P355-T436 VanDerWaalsContact O-CB 3.3Å; P355-T436 WeakPolarHBondContact O-CB 3.3Å; P355-T436 PolarHBondContact O-OG1 3.4Å; Q356-T436 PolarHBondContact O-OG1 2.95Å; S357-T436 WeakPolarHBondContact CA-OG1 3.33Å; S357-T436 PolarHBondContact N-OG1 2.81Å; S357-T436 VanDerWaalsContact N-OG1 3.09Å; L368-T436 HydrophobicContact CD1-CG2 4.15Å; L368-T436 HydrophobicContact CD2-CG2 4.34Å; W420-T436 CarbonylContact C-O 3.53Å; W420-T436 WeakPolarHBondContact CA-O 3.5Å; Y421-T436 PolarHBondContact N-O 3.15Å; Y421-T436 PolarHBondContact O-N 2.94Å
437R96.4Very high87.9Confident106 Ų10670.5 Ų70.540%0.439%0.393SS..EExtended strand (participates in β ladder)trans-120.5131.5-176.5-176.9171.9165.8154.91.2111.8S357 K358 W420 D439S357-R437 CarbonylContact C-O 3.4Å; S357-R437 WeakPolarHBondContact CA-O 3.49Å; S357-R437 VanDerWaalsContact CB-O 3.25Å; S357-R437 WeakPolarHBondContact CB-O 3.49Å; S357-R437 PolarHBondContact OG-N 2.89Å; S357-R437 VanDerWaalsContact OG-N 3.13Å; K358-R437 PolarHBondContact N-O 2.81Å; W420-R437 HydrophobicContact CD2-CB 4.36Å; W420-R437 HydrophobicContact CE3-CB 3.91Å; W420-R437 HydrophobicContact CH2-CB 4.27Å; W420-R437 HydrophobicContact CZ3-CB 3.87Å; R437-D439 IonicContact CZ-OD1 3.1Å; R437-D439 IonicContact NE-OD1 2.72Å; R437-D439 PolarHBondContact NE-OD1 3.11Å; R437-D439 IonicContact NE-OD2 4Å; R437-D439 IonicContact NH2-OD1 3.09Å; R437-D439 PolarHBondContact NH2-OD1 2.9Å
438L97.1Very high86.2Confident0 Ų076.4 Ų76.40%042%0.423CS..EExtended strand (participates in β ladder)trans-107.2116.4169.3-178.660.6000108.7K358 V360 V366 I410 V413 D417 A418 G419 Y421 V440K358-L438 HydrophobicContact CB-CD1 4.38Å; K358-L438 WeakPolarHBondContact O-CA 3.44Å; V360-L438 HydrophobicContact CB-CD1 4.46Å; V360-L438 HydrophobicContact CG2-CD1 4.09Å; V366-L438 HydrophobicContact CB-CD1 4.47Å; V366-L438 HydrophobicContact CG1-CD1 4.13Å; V366-L438 HydrophobicContact CG1-CD2 3.96Å; V366-L438 HydrophobicContact CG2-CD1 4.02Å; I410-L438 HydrophobicContact CD1-CD2 4.23Å; V413-L438 HydrophobicContact CG1-CD2 4.49Å; D417-L438 HydrophobicContact CB-CD2 4.42Å; A418-L438 WeakPolarHBondContact CA-O 3.26Å; G419-L438 PolarHBondContact N-O 2.95Å; G419-L438 PolarHBondContact O-N 3.38Å; Y421-L438 HydrophobicContact CD2-CB 3.97Å; Y421-L438 HydrophobicContact CE2-CB 3.75Å; Y421-L438 HydrophobicContact CE2-CD2 3.91Å; Y421-L438 HydrophobicContact CE2-CG 4.47Å; L438-V440 HydrophobicContact CG-CG2 4.24Å
439D96.3Very high84.6Confident39 Ų3976.2 Ų76.221%0.20943%0.432CS..EExtended strand (participates in β ladder)trans-99131168.1-63.9-48.1000109.2K358 K359 V360 R437K358-D439 PolarHBondContact O-N 2.96Å; K359-D439 WeakPolarHBondContact CA-O 3.08Å; K359-D439 HydrophobicContact CB-CB 4.47Å; K359-D439 HydrophobicContact CD-CB 4.48Å; K359-D439 WeakPolarHBondContact CE-OD2 3.43Å; K359-D439 HydrophobicContact CG-CB 4.07Å; V360-D439 PolarHBondContact N-O 2.99Å; R437-D439 IonicContact CZ-OD1 3.1Å; R437-D439 IonicContact NE-OD1 2.72Å; R437-D439 PolarHBondContact NE-OD1 3.11Å; R437-D439 IonicContact NE-OD2 4Å; R437-D439 IonicContact NH2-OD1 3.09Å; R437-D439 PolarHBondContact NH2-OD1 2.9Å
440V95.9Very high83.3Confident23 Ų2378.2 Ų78.214%0.13945%0.448CS..EExtended strand (participates in β ladder)trans-110.2126.5176.8-174.80000109.2V360 E362 V413 A418 L438V360-V440 WeakPolarHBondContact O-CA 3.37Å; E362-V440 HydrophobicContact CB-CG1 4.26Å; V413-V440 HydrophobicContact CG1-CB 4.28Å; V413-V440 HydrophobicContact CG1-CG1 3.88Å; V413-V440 HydrophobicContact CG1-CG2 3.37Å; A418-V440 HydrophobicContact CB-CB 4.16Å; A418-V440 HydrophobicContact CB-CG2 3.94Å; L438-V440 HydrophobicContact CG-CG2 4.24Å
441T93.1Very high82Confident68 Ų6882.6 Ų82.642%0.41747%0.472SS..EExtended strand (participates in β ladder)trans-109.8132.9179.3460000109.3V360 L361 E362V360-T441 PolarHBondContact O-N 2.96Å; V360-T441 PolarHBondContact O-OG1 2.9Å; L361-T441 CarbonylContact C-O 3.51Å; L361-T441 VanDerWaalsContact CA-O 3.3Å; L361-T441 WeakPolarHBondContact CA-O 3.32Å; L361-T441 WeakPolarHBondContact CD2-OG1 3.49Å; E362-T441 PolarHBondContact N-O 3.18Å
442A86.9Confident80.3Confident49 Ų4987 Ų8741%0.40548%0.483SS..PPolyproline II helixtrans-62.2141.5173.700000109.3
443R82.8Confident78.6Confident117 Ų11794.1 Ų94.144%0.44251%0.514SS..PPolyproline II helixtrans-59.5135.5165.7-67.9-174.8-148.2-93.7-8.1108.1L361 E362 G363 D364 N445L361-R443 HydrophobicContact CB-CG 4.16Å; E362-R443 PolarHBondContact O-NE 3.16Å; E362-R443 PolarHBondContact O-NH2 3.16Å; G363-R443 PolarHBondContact O-NH2 2.81Å; D364-R443 VanDerWaalsContact N-NH2 3.13Å; D364-R443 IonicContact OD1-CZ 2.76Å; D364-R443 IonicContact OD1-NH1 2.75Å; D364-R443 PolarHBondContact OD1-NH1 3.13Å; D364-R443 IonicContact OD1-NH2 2.85Å; D364-R443 PolarHBondContact OD1-NH2 2.86Å; D364-R443 IonicContact OD2-NH1 3.92Å; R443-N445 PolarHBondContact O-N 3.5Å
444P76.5Confident76.8Confident114 Ų11498.3 Ų98.374%0.7453%0.533SS*.PPolyproline II helixtrans-55.1119.3166.3-2132.3000107.5Q446P444-Q446 PolarHBondContact O-N 3.46Å; P444-Q446 VanDerWaalsContact O-N 3.09Å
445N64.5Low75.2Confident149 Ų149108.2 Ų108.280%0.79757%0.568SS**PPolyproline II helixtrans-58.9120.9173.1-127.53.2000106.2R443 T447R443-N445 PolarHBondContact O-N 3.5Å; N445-T447 PolarHBondContact O-N 3.42Å
446Q54.2Low73.5Confident178 Ų178109.7 Ų109.783%0.83258%0.58SS**  trans-68.388162.9-75.7-173.31.200106.1P444 L448P444-Q446 PolarHBondContact O-N 3.46Å; P444-Q446 VanDerWaalsContact O-N 3.09Å; Q446-L448 PolarHBondContact O-N 3.26Å
447T50.4Low71.8Confident124 Ų124119.9 Ų119.976%0.76162%0.619SS**  trans-5995.8157.230.50000106N445 P449N445-T447 PolarHBondContact O-N 3.42Å; T447-P449 VanDerWaalsContact O-N 3.11Å
448L57.7Low69.9Low145 Ų145116.7 Ų116.776%0.75961%0.612SS**  trans-46.5122.8166-74.2167.7000106.1Q446 A450Q446-L448 PolarHBondContact O-N 3.26Å; L448-A450 PolarHBondContact O-N 3.3Å
449P60.2Low68.4Low112 Ų112121.4 Ų121.473%0.72764%0.641SS**  trans-56.2124.5179.322.5-32000107T447T447-P449 VanDerWaalsContact O-N 3.11Å
450A63.7Low66.7Low85 Ų85127.3 Ų127.370%0.70267%0.665SS**  trans-45.2131.3-176.900000108.8L448 K452L448-A450 PolarHBondContact O-N 3.3Å; A450-K452 PolarHBondContact O-N 3.28Å
451P65.6Low64.9Low120 Ų120130.2 Ų130.278%0.77969%0.686SS**  trans-52.2117.9-169.520.1-32.5000107.9Q453P451-Q453 PolarHBondContact O-N 3.44Å
452K61.3Low63.2Low189 Ų189133.4 Ų133.482%0.82269%0.694SS**  trans-55.1108.5-178.4-72.5-176.9-178.8177.70106.2A450 L454A450-K452 PolarHBondContact O-N 3.28Å; K452-L454 PolarHBondContact O-N 3.2Å
453Q62.2Low61.8Low184 Ų184134.5 Ų134.586%0.8669%0.688SS**  trans-57.797.2170.1-80.6-112.11.700106P451 R455P451-Q453 PolarHBondContact O-N 3.44Å; Q453-R455 PolarHBondContact O-N 3.31Å
454L59.6Low60.7Low153 Ų153134 Ų13480%0.80169%0.694SS**  trans-64.893.4171.5-83.8163.1000104.7K452 V456K452-L454 PolarHBondContact O-N 3.2Å; L454-V456 WeakPolarHBondContact O-CG2 3.24Å; L454-V456 PolarHBondContact O-N 3.46Å
455R61.5Low59.9Low225 Ų225131.6 Ų131.685%0.84968%0.683SS**  trans-69.881179.7-165.5174.6-172.5176.63.5107Q453 R457Q453-R455 PolarHBondContact O-N 3.31Å; R455-R457 VanDerWaalsContact C-N 3.28Å; R455-R457 PolarHBondContact O-N 3.08Å
456V61.3Low59.6Low122 Ų122127.5 Ų127.574%0.73966%0.661SS**  trans-61.193.4177.7-178.50000106.9L454 P458L454-V456 WeakPolarHBondContact O-CG2 3.24Å; L454-V456 PolarHBondContact O-N 3.46Å; V456-P458 VanDerWaalsContact O-CD 3.26Å; V456-P458 WeakPolarHBondContact O-CD 3.48Å
457R61.1Low59.6Low216 Ų216123.1 Ų123.182%0.81564%0.644SS**PPolyproline II helixtrans-64.5117.7164.7-70.5-173.5176.4-170.1-1105.9R455 T459R455-R457 VanDerWaalsContact C-N 3.28Å; R455-R457 PolarHBondContact O-N 3.08Å; R457-T459 PolarHBondContact O-N 3.49Å
458P57.2Low60Low38 Ų38120.6 Ų120.625%0.24764%0.642CS.*PPolyproline II helixtrans-60.3133.2174-15.427.9000108.2V456 K462 Y463V456-P458 VanDerWaalsContact O-CD 3.26Å; V456-P458 WeakPolarHBondContact O-CD 3.48Å; P458-K462 HydrophobicContact CB-CB 4.32Å; P458-Y463 HydrophobicContact CB-CD2 3.89Å; P458-Y463 HydrophobicContact CB-CE2 3.56Å; P458-Y463 HydrophobicContact CG-CD2 4.47Å; P458-Y463 HydrophobicContact CG-CE2 3.71Å; P458-Y463 WeakPolarHBondContact O-CE2 3.38Å
459T65Low60.1Low100 Ų100123.8 Ų123.861%0.61364%0.644SS**PPolyproline II helixtrans-58.9148.9173.16.50000109.8R457 S461 K462 Y463R457-T459 PolarHBondContact O-N 3.49Å; T459-S461 PolarHBondContact O-N 3.23Å; T459-S461 VanDerWaalsContact O-N 3.11Å; T459-K462 WeakPolarHBondContact O-CA 3.38Å; T459-K462 WeakPolarHBondContact O-CB 3.23Å; T459-K462 PolarHBondContact O-N 3.42Å; T459-Y463 PolarHBondContact O-N 2.64Å
460F59.7Low59.9Low163 Ų163122 Ų12272%0.71565%0.645SS**Hα-helixtrans-53.3-36-176.7-175.2-108.2000113.2K462 Y463 L464F460-K462 VanDerWaalsContact C-N 3.29Å; F460-K462 PolarHBondContact O-N 3.42Å; F460-Y463 WeakPolarHBondContact O-CB 3.33Å; F460-Y463 PolarHBondContact O-N 3.3Å; F460-L464 HydrophobicContact CD1-CD1 3.78Å; F460-L464 HydrophobicContact CE1-CD1 3.51Å; F460-L464 HydrophobicContact CZ-CD1 4.14Å; F460-L464 PolarHBondContact O-N 2.94Å; F460-L464 VanDerWaalsContact O-N 3.15Å
461S58.8Low59.6Low84 Ų84123.2 Ų123.259%0.58764%0.639SS**Hα-helixtrans-61.5-29.8172.738.60000114.3T459 A465T459-S461 PolarHBondContact O-N 3.23Å; T459-S461 VanDerWaalsContact O-N 3.11Å; S461-A465 PolarHBondContact O-N 3.45Å
462K57.3Low59.2Low134 Ų134121.6 Ų121.658%0.58362%0.624SS**Hα-helixtrans-78.5-31.8176.2-155.3170.4-173.1177.40112.2P458 T459 F460 L466P458-K462 HydrophobicContact CB-CB 4.32Å; T459-K462 WeakPolarHBondContact O-CA 3.38Å; T459-K462 WeakPolarHBondContact O-CB 3.23Å; T459-K462 PolarHBondContact O-N 3.42Å; F460-K462 VanDerWaalsContact C-N 3.29Å; F460-K462 PolarHBondContact O-N 3.42Å; K462-L466 WeakPolarHBondContact O-CD1 3.26Å; K462-L466 WeakPolarHBondContact O-CG 3.37Å; K462-L466 PolarHBondContact O-N 3.03Å
463Y57.8Low59Low73 Ų73113.4 Ų113.429%0.28659%0.59SS.*Hα-helixtrans-64.3-46.6170.2-83.6-84.5000111.8P458 T459 F460 A465 L466 N467 V473P458-Y463 HydrophobicContact CB-CD2 3.89Å; P458-Y463 HydrophobicContact CB-CE2 3.56Å; P458-Y463 HydrophobicContact CG-CD2 4.47Å; P458-Y463 HydrophobicContact CG-CE2 3.71Å; P458-Y463 WeakPolarHBondContact O-CE2 3.38Å; T459-Y463 PolarHBondContact O-N 2.64Å; F460-Y463 WeakPolarHBondContact O-CB 3.33Å; F460-Y463 PolarHBondContact O-N 3.3Å; Y463-A465 VanDerWaalsContact C-N 3.34Å; Y463-A465 PolarHBondContact O-N 3.29Å; Y463-L466 PolarHBondContact O-N 3.49Å; Y463-N467 PolarHBondContact O-N 3.32Å; Y463-N467 PolarHBondContact O-OD1 3.12Å; Y463-V473 HydrophobicContact CD1-CB 3.77Å; Y463-V473 HydrophobicContact CD1-CG1 3.88Å; Y463-V473 HydrophobicContact CD1-CG2 4.25Å; Y463-V473 HydrophobicContact CE1-CB 3.71Å; Y463-V473 HydrophobicContact CE1-CG1 3.42Å; Y463-V473 VanDerWaalsContact CE1-CG1 3.42Å
464L59.3Low58.6Low107 Ų107112.9 Ų112.956%0.5659%0.585SS**Hα-helixtrans-58.8-42.7176.4-85.3154.9000112.5F460 L466 G468F460-L464 HydrophobicContact CD1-CD1 3.78Å; F460-L464 HydrophobicContact CE1-CD1 3.51Å; F460-L464 HydrophobicContact CZ-CD1 4.14Å; F460-L464 PolarHBondContact O-N 2.94Å; F460-L464 VanDerWaalsContact O-N 3.15Å; L464-L466 VanDerWaalsContact C-N 3.29Å; L464-L466 PolarHBondContact O-N 2.94Å; L464-G468 PolarHBondContact O-N 3.46Å; L464-G468 VanDerWaalsContact O-N 3.08Å
465A60.7Low58.4Low62 Ų62113.2 Ų113.251%0.51258%0.582SS.*Hα-helixtrans-66.6-25.9177.900000114.3S461 Y463S461-A465 PolarHBondContact O-N 3.45Å; Y463-A465 VanDerWaalsContact C-N 3.34Å; Y463-A465 PolarHBondContact O-N 3.29Å
466L56.8Low57.9Low64 Ų64106.2 Ų106.234%0.33557%0.572SS.*Hα-helixtrans-86.4-43.5177.7-72.4166.7000112K462 Y463 L464 G468 R469 V473K462-L466 WeakPolarHBondContact O-CD1 3.26Å; K462-L466 WeakPolarHBondContact O-CG 3.37Å; K462-L466 PolarHBondContact O-N 3.03Å; Y463-L466 PolarHBondContact O-N 3.49Å; L464-L466 VanDerWaalsContact C-N 3.29Å; L464-L466 PolarHBondContact O-N 2.94Å; L466-G468 VanDerWaalsContact C-N 3.25Å; L466-G468 PolarHBondContact O-N 3.22Å; L466-R469 PolarHBondContact O-N 3.03Å; L466-V473 HydrophobicContact CB-CG2 3.71Å; L466-V473 HydrophobicContact CD1-CG2 4.05Å
467N55Low57.3Low86 Ų86107.4 Ų107.446%0.4657%0.568SS.*Hα-helixtrans-61.5-35.3175.3-73.517.5000111.6Y463 R469 G470 L471Y463-N467 PolarHBondContact O-N 3.32Å; Y463-N467 PolarHBondContact O-OD1 3.12Å; N467-R469 PolarHBondContact O-N 2.88Å; N467-G470 PolarHBondContact O-N 2.94Å; N467-L471 PolarHBondContact OD1-O 3.19Å
468G57.8Low56.6Low70 Ų70102 Ų10272%0.72256%0.556SS**THydrogen-bonded Turntrans-64.4-4.7172.900000115.3L464 L466L464-G468 PolarHBondContact O-N 3.46Å; L464-G468 VanDerWaalsContact O-N 3.08Å; L466-G468 VanDerWaalsContact C-N 3.25Å; L466-G468 PolarHBondContact O-N 3.22Å
469R59.4Low56.2Low213 Ų213106.1 Ų106.180%0.80458%0.582SS**THydrogen-bonded Turntrans-113.914.1172.9-66.3-175.4174-176.4-2113.2L466 N467 L471L466-R469 PolarHBondContact O-N 3.03Å; N467-R469 PolarHBondContact O-N 2.88Å; R469-L471 PolarHBondContact O-N 2.89Å
470G56.6Low55.4Low73 Ų73110.1 Ų110.175%0.75359%0.594SS**THydrogen-bonded Turntrans78.411.3175.400000115.7N467N467-G470 PolarHBondContact O-N 2.94Å
471L57.8Low54.6Low111 Ų111104.6 Ų104.658%0.58158%0.583SS**  trans-96.2110.3175.8-73.3164.3000110.1N467 R469 V473N467-L471 PolarHBondContact OD1-O 3.19Å; R469-L471 PolarHBondContact O-N 2.89Å; L471-V473 PolarHBondContact O-N 2.87Å; L471-V473 VanDerWaalsContact O-N 3.15Å
472D58.1Low53.7Low86 Ų86108.5 Ų108.546%0.4659%0.592SS.*  trans-77.699.3176-175.49.1000111.7K474 Q475D472-K474 PolarHBondContact O-N 3.37Å; D472-K474 WeakPolarHBondContact OD1-CB 3.29Å; D472-K474 PolarHBondContact OD1-N 3.3Å; D472-Q475 PolarHBondContact O-N 2.89Å
473V57.2Low52.9Low18 Ų18112.5 Ų112.511%0.10961%0.61CS.*THydrogen-bonded Turntrans-70.9-9-179.5-160.40000112.5Y463 L466 L471 F477Y463-V473 HydrophobicContact CD1-CB 3.77Å; Y463-V473 HydrophobicContact CD1-CG1 3.88Å; Y463-V473 HydrophobicContact CD1-CG2 4.25Å; Y463-V473 HydrophobicContact CE1-CB 3.71Å; Y463-V473 HydrophobicContact CE1-CG1 3.42Å; Y463-V473 VanDerWaalsContact CE1-CG1 3.42Å; L466-V473 HydrophobicContact CB-CG2 3.71Å; L466-V473 HydrophobicContact CD1-CG2 4.05Å; L471-V473 PolarHBondContact O-N 2.87Å; L471-V473 VanDerWaalsContact O-N 3.15Å; V473-F477 HydrophobicContact CG1-CD2 4.14Å; V473-F477 HydrophobicContact CG1-CE2 4.14Å
474K53.2Low52.2Low172 Ų172116.7 Ų116.775%0.74863%0.632SS**THydrogen-bonded Turntrans-74.8-38.1173.8-73.5-175.3173.5-179.20112.8D472 A476D472-K474 PolarHBondContact O-N 3.37Å; D472-K474 WeakPolarHBondContact OD1-CB 3.29Å; D472-K474 PolarHBondContact OD1-N 3.3Å; K474-A476 VanDerWaalsContact C-N 3.34Å
475Q54Low51.6Low160 Ų160122.3 Ų122.375%0.74865%0.646SS**G310 helixtrans-67-36176.8-83.3-175.7-21.800112.2D472 F477D472-Q475 PolarHBondContact O-N 2.89Å; Q475-F477 PolarHBondContact O-N 2.7Å; Q475-F477 VanDerWaalsContact O-N 3.11Å
476A51.8Low50.7Low78 Ų78126.8 Ų126.865%0.64566%0.66SS**G310 helixtrans-67.4-8.7-177.800000115.6K474K474-A476 VanDerWaalsContact C-N 3.34Å
477F49.5Very low49.8Very low148 Ų148129.1 Ų129.165%0.64969%0.689SS**G310 helixtrans-129.816.1-175.8-77.9-78.2000114.2V473 Q475 P479V473-F477 HydrophobicContact CG1-CD2 4.14Å; V473-F477 HydrophobicContact CG1-CE2 4.14Å; Q475-F477 PolarHBondContact O-N 2.7Å; Q475-F477 VanDerWaalsContact O-N 3.11Å; F477-P479 WeakPolarHBondContact O-CD 3.29Å
478N44.8Very low49.1Very low103 Ų103129.3 Ų129.355%0.55170%0.702SS**  trans-81.2118.4174.9-164.127.3000110.5E480 G481N478-E480 PolarHBondContact O-N 2.83Å; N478-E480 VanDerWaalsContact O-N 3.16Å; N478-G481 PolarHBondContact O-N 2.84Å
479P49.3Very low48.5Very low124 Ų124134.7 Ų134.781%0.80571%0.708SS**THydrogen-bonded Turntrans-73.6-3.8-170.729.8-36.7000115.5F477F477-P479 WeakPolarHBondContact O-CD 3.29Å
480E48.1Very low47.7Very low183 Ų183129.5 Ų129.586%0.85571%0.705SS**THydrogen-bonded Turntrans-114.415.9176.6-63.8-173.6155.200113N478N478-E480 PolarHBondContact O-N 2.83Å; N478-E480 VanDerWaalsContact O-N 3.16Å
481G42.3Very low47.1Very low47 Ų47129.9 Ų129.949%0.48571%0.709SS.*SBendtrans-86.6131.817400000112.8N478 F483N478-G481 PolarHBondContact O-N 2.84Å; G481-F483 PolarHBondContact O-N 3.13Å; G481-F483 VanDerWaalsContact O-N 3.17Å
482E40.7Very low46.1Very low166 Ų166132.6 Ų132.678%0.77672%0.723SS**  trans-47.9113.9-176.7-64.4-176.9135.600114.3Q484E482-Q484 PolarHBondContact O-N 3.06Å
483F39.8Very low45Very low219 Ų219139.2 Ų139.296%0.96174%0.743SS**  trans-80.633.5166.6-126.4-85.7000112.3G481G481-F483 PolarHBondContact O-N 3.13Å; G481-F483 VanDerWaalsContact O-N 3.17Å
484Q44.4Very low43.9Very low160 Ų160147.2 Ų147.275%0.74878%0.779SS**  trans-134.362.9-175-85.1-177.2-22.200112.2E482E482-Q484 PolarHBondContact O-N 3.06Å
485R46.2Very low43Very low226 Ų226144.1 Ų144.185%0.85378%0.779SS**SBendtrans-179.391.2147.7-98.3147.2-172.9-1542.3110.5
486L42.4Very low42.4Very low155 Ų155146.1 Ų146.181%0.81279%0.789SS**SBendtrans-171.9-18.6152-105157.6000112.6A488L486-A488 PolarHBondContact O-N 2.99Å
487A38.2Very low41.7Very low114 Ų114151 Ų15194%0.94280%0.798SS**THydrogen-bonded Turntrans-74.531.516800000114.1
488A39.3Very low41Very low90 Ų90156 Ų15674%0.74483%0.83SS**THydrogen-bonded Turntrans-121.68.7179.400000113.1L486L486-A488 PolarHBondContact O-N 2.99Å
489Q44.7Very low40.8Very low182 Ų182158.7 Ų158.785%0.8584%0.844SS**SBendtrans-136.942.8178.3-75.5-167.2-19.200113.7
490S43.1Very low40.3Very low105 Ų105160.5 Ų160.573%0.73485%0.846SS**SBendtrans-162.684.4154.258.70000108.8L492S490-L492 PolarHBondContact O-N 3.42Å; S490-L492 VanDerWaalsContact O-N 3.13Å
491G44.8Very low39.9Very low80 Ų80159.2 Ų159.283%0.82585%0.846SS**  trans-69.2108.6-17900000111.4
492L35Very low39.8Very low168 Ų168165.8 Ų165.888%0.8887%0.867SS**  trans-136.3110.8158.9-71.7176.3000107.8S490S490-L492 PolarHBondContact O-N 3.42Å; S490-L492 VanDerWaalsContact O-N 3.13Å
493Y35Very low39.7Very low225 Ų225165.8 Ų165.888%0.88287%0.873SS**  trans-65.8147157.1-82.1-110.7000108.4
494E36.1Very low39.7Very low186 Ų186162.3 Ų162.387%0.86987%0.867SS**  -176.7152.6110.5-103-177.4148.800115.8
495S34.3Very low39.4Very low108 Ų108162.4 Ų162.476%0.75588%0.875SS**  trans46.3114.6158.7620000121.6
496E40.1Very low38.8Very low201 Ų201157.5 Ų157.594%0.93988%0.877SS**  trans-68.9114.2146.4-65179.2131.300110.4
497E36.6Very low38.6Very low182 Ų182157.8 Ų157.885%0.8588%0.883SS**  trans-161.5111.5151.2-126-175.8-16300109.2
498L35.3Very low38.6Very low252 Ų252161.7 Ų161.7100%1.31988%0.877SS**  trans177.10153.9-100.1163.3000112.2

Retrieved 498 of 498 residues in 567.4 ms (Link to these results)