A0A087XC07_POEFO Loading...

Myotilin

AlphaFold DB , UniProt , Accession A0A087XC07, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 749 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low36Very low237 Ų237155 Ų155100%1.16783%0.834SS**  0102.50-61.7167.1-175.600104.7
2N34.1Very low37Very low159 Ų159151.8 Ų151.885%0.8583%0.828SS**  cis49.510348.6-86.320.5000112
3L33.4Very low36.7Very low173 Ų173151.3 Ų151.391%0.90682%0.823SS**  -165.1158.8122.8-93.4167.3000108.5
4P44.7Very low36.3Very low103 Ų103151.9 Ų151.967%0.66981%0.813SS**  trans-95.9175-165.638.7-37.4000114.3
5P38.5Very low35.7Very low117 Ų117149.1 Ų149.176%0.7680%0.799SS**PPolyproline II helixtrans-66.7148.7165.829.5-36.5000112.2
6P38.2Very low35.4Very low122 Ų122144.9 Ų144.979%0.79278%0.784SS**PPolyproline II helixtrans-81.4163.9-178.833.8-36.3000113.9
7E32.6Very low35.2Very low183 Ų183144.6 Ų144.686%0.85578%0.781SS**PPolyproline II helixtrans-84.4170.2-169.7-63.2136.8132.700114.7
8W35.4Very low35Very low247 Ų247147 Ų14794%0.93679%0.785SS**PPolyproline II helixtrans-83.7139.4164.7-73.450.7000109.4
9P38.2Very low34.7Very low129 Ų129142.7 Ų142.784%0.83878%0.78SS**PPolyproline II helixtrans-77.3132.1176.931.2-33.5000111.5
10D29.2Very low34.5Very low145 Ų145140.4 Ų140.478%0.77578%0.781SS**PPolyproline II helixtrans-98.1158.4175.4-143.7-35000112.2
11S37.8Very low34.3Very low90 Ų90141.1 Ų141.163%0.62978%0.783SS**  trans-3.4149162-53.50000121.6
12P48Very low34Very low117 Ų117137.3 Ų137.376%0.7677%0.767SS**  -118.8136.5111.5-3.724.1000112.2
13L33.3Very low34.7Very low145 Ų145135.2 Ų135.276%0.75976%0.761SS**  63.9133.974.2-61.5167.9000112.4
14K30.5Very low34.6Very low159 Ų159135.6 Ų135.669%0.69176%0.759SS**  cis-160.7-175.514.1-112.6167.9155.4-72.80107.8
15D27.4Very low34.6Very low111 Ų111136.3 Ų136.359%0.59476%0.763SS**  cis-167.2171.21.6-111.2-26.4000106.6
16S30Very low34.2Very low81 Ų81138.7 Ų138.757%0.56676%0.764SS**  cis-174.3134.5-35.1-104.70000113.4
17I32.1Very low34.7Very low141 Ų141138.1 Ų138.172%0.72376%0.761SS**  trans62.2129.9148.2-40.8155.3000120.9
18H32.6Very low34.5Very low187 Ų187133.1 Ų133.187%0.86675%0.75SS**  trans142.1135.9138.3-79.982.2000111.1
19G29.6Very low34.1Very low66 Ų66126.7 Ų126.768%0.6874%0.743SS**  cis168.5163.5-7.500000112
20A30.7Very low33.4Very low96 Ų96126 Ų12679%0.79374%0.74SS**  trans68.1149.7174.100000117.3
21D29Very low33.3Very low156 Ų156124.4 Ų124.483%0.83474%0.741SS**  cis-150.3172.3-3.8-128.8-32000114.1
22L29.6Very low32.8Very low157 Ų157129 Ų12982%0.82275%0.752SS**  trans-114-171.6177.9-84.5165.5000110.6
23P48.9Very low32Very low114 Ų114132 Ų13274%0.7476%0.756SS**  cis-133-170.5-6.822.64.4000115.9
24E31.2Very low32.4Very low181 Ų181130.2 Ų130.285%0.84675%0.753SS**  trans-26.7170.7149.8-74.7-176.3126.500119.1
25P43.3Very low32.3Very low119 Ų119131 Ų13177%0.77376%0.764SS**  cis-146.4178.32744.4-24.2000120.4
26E31.3Very low32.2Very low167 Ų167128.8 Ų128.878%0.7877%0.767SS**  trans-70.2-176.5155.5-78.4-91.2165.100111.7
27P48.3Very low32.1Very low110 Ų110137.2 Ų137.271%0.71479%0.786SS**  cis-145.9-177.711.346-26.8000119
28A28.6Very low31.9Very low77 Ų77135.6 Ų135.664%0.63679%0.788SS**  trans80.9146.6135.400000125.2
29S27.5Very low31.6Very low113 Ų113134 Ų13479%0.7978%0.779SS**  trans7316015579.80000118.7
30C23.5Very low31.6Very low114 Ų114137.9 Ų137.977%0.7778%0.779SS**  cis-168.9160.9-36.3-104.10000110.1
31S26.8Very low31.5Very low112 Ų112140.8 Ų140.878%0.78378%0.776SS**  trans71151145.458.70000124.3
32E27.2Very low31.6Very low185 Ų185138.5 Ų138.586%0.86477%0.772SS**  trans85.9116.2154.8-50.4-134.5124.600122
33E29.6Very low31.7Very low181 Ų181135 Ų13585%0.84677%0.766SS**  trans-76.7166.1142.4-64.6-171.5124.800109.5
34P43.3Very low30.8Very low107 Ų107137 Ų13770%0.69577%0.77SS**  -152.2158.410836.3-19.5000117.4
35L28Very low30.7Very low177 Ų177133.3 Ų133.393%0.92776%0.764SS**  trans44.8143.4139.8-59166.7000121.2
36G26Very low30.3Very low64 Ų64132.8 Ų132.866%0.6676%0.763SS**  cis141.5145.5-2.800000113.8
37R27.4Very low30.2Very low257 Ų257131.7 Ų131.797%0.9776%0.758SS**  trans70.1154.5179.6-54.3174172.7177.6-3.1114.3
38S27.1Very low29.2Very low108 Ų108129.3 Ų129.376%0.75575%0.753SS**  cis-134157.618.547.90000111.6
39K27.7Very low29.3Very low154 Ų154132.6 Ų132.667%0.6776%0.755SS**  52.5135.677.1-98.7169.1163.4-69.50112.8E41K39-E41 IonicContact NZ-OE2 2.95Å
40E29.5Very low29.3Very low146 Ų146138.3 Ų138.368%0.68276%0.76SS**  cis-155.4-162.532.2-146.8137.5-119.100116.3
41E28.5Very low29.7Very low158 Ų158138.4 Ų138.474%0.73876%0.761SS**  trans-74.8-179.7-164.5-66.3154.660.800114.9K39K39-E41 IonicContact NZ-OE2 2.95Å
42S30.4Very low30.9Very low107 Ų107138.2 Ų138.275%0.74876%0.757SS**  cis-162.914534.850.80000111.8
43A31.2Very low31Very low85 Ų85136 Ų13670%0.70275%0.752SS**  60.6139.290.100000114.8
44L30.9Very low31.1Very low156 Ų156133.5 Ų133.582%0.81775%0.748SS**  -159.5138.357.4-83161000109.8
45S28.9Very low31.2Very low103 Ų103133.7 Ų133.772%0.7275%0.75SS**  74.5150.480.3-62.90000115.3
46S33.9Very low31.5Very low107 Ų107131.5 Ų131.575%0.74874%0.743SS**  cis-166.1-173.7-9.747.20000107.3
47E29.2Very low32Very low145 Ų145140.4 Ų140.468%0.67876%0.757SS**  cis-154.2-177.2-4.3-120.9-108.894.500104.9Q49E47-Q49 WeakPolarHBondContact OE1-CG 3.42Å; E47-Q49 PolarHBondContact OE1-N 3.04Å; E47-Q49 WeakPolarHBondContact OE2-CG 3.41Å; E47-Q49 PolarHBondContact OE2-NE2 3.11Å
48G28.8Very low32.3Very low60 Ų60134.4 Ų134.462%0.61975%0.749SS**  cis176.1170.95.300000118.4
49Q30.6Very low32.4Very low145 Ų145134.9 Ų134.968%0.67875%0.751SS**  trans29.2121.6161-48.6-178.916.700122.1E47E47-Q49 WeakPolarHBondContact OE1-CG 3.42Å; E47-Q49 PolarHBondContact OE1-N 3.04Å; E47-Q49 WeakPolarHBondContact OE2-CG 3.41Å; E47-Q49 PolarHBondContact OE2-NE2 3.11Å
50R27.9Very low32.7Very low234 Ų234137.1 Ų137.188%0.88376%0.76SS**  177.6162.496.7-93.1-175-178.7-165.10.1112.7
51S30.1Very low32.9Very low115 Ų115136.3 Ų136.380%0.80477%0.768SS**  trans-135.2166.6175.7-390000108.9
52P52.4Low33.2Very low108 Ų108134.1 Ų134.170%0.70177%0.77SS**  -150-164.560.338.9-15.1000117
53D29.6Very low34.1Very low139 Ų139134.3 Ų134.374%0.74377%0.769SS**  trans8094.6154.5-58.4-25.1000124.3
54V31.8Very low34.6Very low128 Ų128135.9 Ų135.978%0.77677%0.772SS**  51.3128.1101.11730000120.3
55P45.8Very low34.9Very low112 Ų112134.3 Ų134.373%0.72777%0.771SS**  cis-143.382.8-39.340.1-18.4000112.9
56V33.7Very low35.4Very low131 Ų131134.5 Ų134.579%0.79477%0.77SS**  trans-96110.8-172.7179.10000113.4V58V56-V58 HydrophobicContact CG1-CG2 3.79Å
57R36.7Very low35.4Very low250 Ų250135.6 Ų135.694%0.94378%0.775SS**  trans-88.9110.6168.8-79.1-175.5173175.4-1.3110.8
58V34Very low35.5Very low131 Ų131132.8 Ų132.879%0.79478%0.776SS**  trans-118.3147.7172.4165.20000110.5V56V56-V58 HydrophobicContact CG1-CG2 3.79Å
59C28.4Very low35.4Very low119 Ų119137.9 Ų137.980%0.80478%0.784SS**  trans-80.7154.1-159.8-54.80000115.3
60K34.7Very low35.5Very low200 Ų200136.1 Ų136.187%0.8778%0.783SS**  trans-117.4158.2151.1-93.1-176.4176.6179.70108.7
61P34.6Very low35.5Very low129 Ų129134 Ų13484%0.83878%0.78SS**PPolyproline II helixtrans-66.3152-161.424.5-35000114.5
62S32.8Very low35.5Very low112 Ų112134.9 Ų134.978%0.78377%0.771SS**PPolyproline II helixtrans-82.7139.1-171.950.10000114.2
63P50.1Low34.2Very low112 Ų112137.4 Ų137.473%0.72777%0.771SS**PPolyproline II helixtrans-74.9168.2168.533.6-35.8000112.4
64P41.2Very low34.1Very low118 Ų118135.6 Ų135.677%0.76677%0.765SS**PPolyproline II helixtrans-67.1156.217628.2-36.2000113.6
65P36.9Very low33.8Very low122 Ų122138.2 Ų138.279%0.79277%0.769SS**PPolyproline II helixtrans-76.7157.3-177.731.6-36000113.8
66P40Very low33.1Very low108 Ų108139.2 Ų139.270%0.70177%0.773SS**PPolyproline II helixtrans-103.7164.4-169.439.9-36.3000115
67P34Very low34Very low130 Ų130138 Ų13884%0.84477%0.768SS**PPolyproline II helixtrans-85.6120.7158.333-29.5000111.3
68A30.8Very low33.4Very low85 Ų85135.8 Ų135.870%0.70277%0.765SS**  trans-159.2153.6177.500000112.5
69Q27.6Very low33.5Very low168 Ų168137.1 Ų137.179%0.78577%0.767SS**  cis-160.9157.3-26.3-105.2-144.61700110.1
70V32.7Very low33.4Very low108 Ų108141.3 Ų141.366%0.65577%0.772SS**  trans18.8137.5142-1740000120.9
71K27.2Very low33.2Very low190 Ų190137.4 Ų137.483%0.82677%0.765SS**  trans-129.8117.2135.1-75.6-166.8176.1-1770108
72E30.1Very low33.8Very low133 Ų133136.8 Ų136.862%0.62176%0.761SS**  63.4135.195.9-74.4-152.8123.100113.5
73K25Very low33.5Very low160 Ų160137.7 Ų137.770%0.69677%0.767SS**  cis-157.8167.113.8-106148.7169.6134.60106.3
74T27.3Very low32.4Very low101 Ų101141.9 Ų141.962%0.6277%0.774SS**  cis174142.8-14.2-890000105.9
75Q26.5Very low31.7Very low184 Ų184144.4 Ų144.486%0.8678%0.78SS**  trans73.2151.9165.2-76.1160.52.900121.8
76T30.3Very low31.2Very low132 Ų132143 Ų14381%0.8177%0.773SS**  trans-134.4-163.7-179.961.10000107
77P52.4Low30.5Very low106 Ų106147 Ų14769%0.68878%0.78SS**  cis-131.7-179.3-16.141.7-26.4000113.7
78K25.4Very low30.1Very low203 Ų203145.9 Ų145.988%0.88377%0.771SS**  trans176.7157.9130.7-99.5165.1-177178.30112.7
79L36.5Very low29.8Very low160 Ų160148.1 Ų148.184%0.83878%0.781SS**  trans-111.2138.6173.5-136.183.8000109.3
80F24.6Very low29.8Very low207 Ų207143.9 Ų143.991%0.90878%0.782SS**  trans-159.2145.4159-112-78000110.9
81T31.4Very low29.4Very low118 Ų118142 Ų14272%0.72479%0.785SS**  trans-123.1-176.916860.60000107.8
82P47.5Very low29.6Very low116 Ų116140.9 Ų140.975%0.75379%0.788SS**  cis-114.8-173.3-29.839.2-27.1000110.6
83S25.8Very low29.6Very low130 Ų130142 Ų14291%0.90980%0.798SS**  trans-155.5143.3156.4-87.50000112.1
84K27.8Very low30Very low200 Ų200143.6 Ų143.687%0.8781%0.811SS**  trans-136.3117-174-179.7-175.9-177.8-177.40108.1
85L26.8Very low30Very low171 Ų171145.2 Ų145.290%0.89582%0.815SS**  trans-133.9143.2174.7-91.3172000110.7
86S25.5Very low30Very low92 Ų92143.4 Ų143.464%0.64381%0.811SS**  trans-148.9120.4-169.654.70000111.6
87F25.9Very low29.9Very low194 Ų194141.8 Ų141.885%0.85181%0.805SS**  trans-142.5108.5162.8-87.3-94.6000105.5
88T24.8Very low28.8Very low106 Ų106144.3 Ų144.365%0.6581%0.813SS**  80.6142.560.464.20000115
89S25.6Very low29.1Very low131 Ų131142.6 Ų142.692%0.91681%0.812SS**  trans79.2155.8173.583.10000116.7
90G25.7Very low29.1Very low79 Ų79141 Ų14181%0.81481%0.811SS**  trans111.730.2179.700000116.7
91G25.7Very low29.5Very low68 Ų68136 Ų13670%0.70180%0.802SS**  trans-79.6141.9169.700000112.2
92N31.2Very low29.3Very low168 Ų168140.3 Ų140.390%0.89881%0.811SS**  trans-165.6131.6142.9-100.6-24.7000111.6
93N29.5Very low28.3Very low156 Ų156140.8 Ų140.883%0.83481%0.812SS**  trans-68.3151.5156.8-83.2-53.3000109.3
94M33.3Very low29.1Very low194 Ų194140.9 Ų140.996%0.95681%0.81SS**  trans-156.7156.9138.7-96.3-95.9-97.400108.2
95N28.1Very low29.1Very low135 Ų135135.2 Ų135.272%0.72281%0.808SS**  trans-141.7138.7-151.5-176.430.6000113.2
96L26.9Very low29.2Very low145 Ų145131.2 Ų131.276%0.75980%0.799SS**  trans59.4162.6161.8-121.781.1000119.6
97S26.7Very low29.4Very low98 Ų98136.6 Ų136.669%0.68581%0.812SS**  trans56.1117.4164.433.20000116.6
98D30Very low30.2Very low160 Ų160132.9 Ų132.986%0.85681%0.807SS**  -145.5153.869.2-91.2-31.9000115.8
99L31.5Very low31.3Very low166 Ų166133.3 Ų133.387%0.86981%0.812SS**  trans-137.3136.8167-93.5172.7000108.8
100P37.1Very low31.5Very low126 Ų126133 Ų13382%0.81881%0.809SS**  trans-116.8122.8149.733.3-25.1000111
101S31.9Very low31.6Very low104 Ų104133.6 Ų133.673%0.72781%0.807SS**  trans-88.1138.4170.855.20000111.4
102F27.5Very low31.8Very low208 Ų208140.3 Ų140.391%0.91282%0.817SS**  trans-152.8150152.7-106.7-72.5000112.6
103T27.8Very low31.6Very low126 Ų126139.4 Ų139.477%0.77381%0.812SS**  trans-150.4176.7-17856.40000108.3
104P42.8Very low31.5Very low132 Ų132141.9 Ų141.986%0.85781%0.811SS**  cis-121.4-174.1-41.734.9-19.3000111.5
105G25.9Very low31.2Very low80 Ų80140.4 Ų140.483%0.82580%0.802SS**  trans-151.4153.7170.300000112
106A30.1Very low31.2Very low87 Ų87145.2 Ų145.272%0.71981%0.81SS**  trans-149.8127.3-163.200000116.4
107F29.4Very low31.6Very low205 Ų205144 Ų14490%0.89981%0.811SS**  trans60.1173.9151.6-71.8-61.4000117.7
108P43.8Very low31.8Very low116 Ų116149.2 Ų149.275%0.75382%0.816SS**  cis-126.6-141.68.247.7-28.8000113
109P46.7Very low32.1Very low116 Ų116148 Ų14875%0.75381%0.805SS**  -133-178.9-127.438-14.3000116.6
110S30.2Very low32.1Very low124 Ų124148.2 Ų148.287%0.86780%0.799SS**  trans-165.1160.6147.241.40000110.7
111A28.1Very low32Very low92 Ų92149.9 Ų149.976%0.7680%0.799SS**  trans-137143.1179.200000110.5
112F28.8Very low32.1Very low208 Ų208152.3 Ų152.391%0.91280%0.799SS**  trans-145.4130.1165.4-101.6-82.5000109.9
113N28Very low32.3Very low149 Ų149147.9 Ų147.980%0.79779%0.794SS**  trans-78.9147.8159.7-68.7-47000108.7
114Y27.1Very low32.7Very low208 Ų208149.9 Ų149.982%0.81680%0.795SS**  -162.6173.8126-112.8-74.6000110.8
115E26.6Very low32Very low163 Ų163148.1 Ų148.176%0.76279%0.791SS**PPolyproline II helixtrans-89.3166.6-146.2-61.8158.8124.600116.1
116R28.8Very low32.2Very low236 Ų236148.8 Ų148.889%0.89179%0.789SS**PPolyproline II helixtrans-87.5134.5160.7-100.9-174.4174.1176.5-2.4110.7
117P34.9Very low32.2Very low120 Ų120155 Ų15578%0.77980%0.8SS**PPolyproline II helixtrans-77.3139143.6-1632000111.1
118R31.2Very low32.3Very low208 Ų208154.6 Ų154.679%0.78580%0.801SS**PPolyproline II helixtrans-86.2158.4152.4-69.2171.6168.5153.8-6.3106.8
119H36.6Very low31.8Very low134 Ų134153.3 Ų153.362%0.6280%0.8SS**  -176.8143.665.2-103.4-80.1000112
120F31.6Very low31.2Very low171 Ų171153.4 Ų153.475%0.7580%0.801SS**  trans59.5160.4131.8-74.1-158.1000120.6
121I33.7Very low31.7Very low161 Ų161151.8 Ų151.883%0.82679%0.789SS**  cis-125.3-159.49.1-153.6160.2000113
122Q33.8Very low32.1Very low154 Ų154156.8 Ų156.872%0.7279%0.79SS**  trans-155.8127.6-153.4175.9-177.2-43.200114.5
123S32.9Very low32.8Very low116 Ų116154 Ų15481%0.81178%0.78SS**  trans-131100.4161.254.60000109.2
124Q36.5Very low33.4Very low168 Ų168149.7 Ų149.779%0.78576%0.761SS**  78.1143.775.2-73-168.233.100113.5
125A28.2Very low34.4Very low94 Ų94144.3 Ų144.378%0.77775%0.75SS**  cis-134.115412.800000114.1
126A28.4Very low35.3Very low95 Ų95141.3 Ų141.379%0.78574%0.739SS**  trans-150.2144.2163.800000109
127F30.1Very low36.1Very low218 Ų218139.2 Ų139.296%0.95673%0.731SS**  trans-70.2137.6176.4-95.4-111.8000111.3
128Q31.7Very low36.6Very low195 Ų195139.9 Ų139.991%0.91172%0.724SS**  trans-140.5150.3164.7-76.7-164.1-27.400111.7
129A33.5Very low37.2Very low90 Ų90133 Ų13374%0.74471%0.711SS**PPolyproline II helixtrans-80.8158.6179.800000112.2
130P35Very low37.6Very low118 Ų118133.4 Ų133.477%0.76671%0.713SS**PPolyproline II helixtrans-66.3150177.528.1-35.8000112.7
131S40Very low38.2Very low89 Ų89132.4 Ų132.462%0.62271%0.711SS**PPolyproline II helixtrans-93.9162.3178.662.90000112.8E133 S134S131-E133 PolarHBondContact O-N 3.04Å; S131-S134 PolarHBondContact O-N 2.95Å; S131-S134 PolarHBondContact O-OG 2.9Å
132Y36Very low38.8Very low197 Ų197129.8 Ų129.877%0.77370%0.699SS**Hα-helixtrans-59.7-11.1-169.9-164.5-104000116.2L136Y132-L136 HydrophobicContact CD1-CD1 4.17Å; Y132-L136 HydrophobicContact CE1-CD1 4.04Å
133E45.1Very low39.2Very low149 Ų149129.1 Ų129.170%0.69670%0.696SS**Hα-helixtrans-92.2-15.9-170.8-157.7168.6-152.500114S131S131-E133 PolarHBondContact O-N 3.04Å
134S40.3Very low39.6Very low59 Ų59129.6 Ų129.641%0.41369%0.689SS.*Hα-helixtrans-75.9-45172.555.20000112.3S131 L136 R137 E138S131-S134 PolarHBondContact O-N 2.95Å; S131-S134 PolarHBondContact O-OG 2.9Å; S134-L136 PolarHBondContact O-N 2.97Å; S134-R137 PolarHBondContact O-N 3.02Å; S134-E138 PolarHBondContact O-N 2.95Å
135V47.8Very low40Very low95 Ų95127.6 Ų127.658%0.57668%0.684SS**Hα-helixtrans-57.4-35-177.2-175.60000111.9A139V135-A139 WeakPolarHBondContact O-CB 3.47Å; V135-A139 PolarHBondContact O-N 3.21Å; V135-A139 VanDerWaalsContact O-N 3.13Å
136L44.9Very low40.7Very low101 Ų101131 Ų13153%0.52968%0.684SS.*Hα-helixtrans-71-28.5178.4-76.6166.8000113.7Y132 S134 Q140Y132-L136 HydrophobicContact CD1-CD1 4.17Å; Y132-L136 HydrophobicContact CE1-CD1 4.04Å; S134-L136 PolarHBondContact O-N 2.97Å; L136-Q140 WeakPolarHBondContact O-CB 3.43Å
137R45Very low41.3Very low192 Ų192134.5 Ų134.573%0.72568%0.684SS**Hα-helixtrans-74.1-44.9172.9-85.5-175.1162.8122.4-2.4111.7S134 A139 Q140 E141S134-R137 PolarHBondContact O-N 3.02Å; R137-A139 VanDerWaalsContact C-N 3.3Å; R137-A139 PolarHBondContact O-N 3.09Å; R137-Q140 PolarHBondContact O-N 2.87Å; R137-E141 PolarHBondContact O-N 2.79Å; R137-E141 VanDerWaalsContact O-N 3.07Å
138E45.8Very low41.7Very low134 Ų134130.5 Ų130.563%0.62667%0.672SS**Hα-helixtrans-64.7-33.6-177.8-163.2166.6-143.100112.3S134 N142S134-E138 PolarHBondContact O-N 2.95Å; E138-N142 PolarHBondContact O-ND2 2.86Å
139A44.5Very low42.2Very low64 Ų64128.2 Ų128.253%0.52967%0.666SS.*Hα-helixtrans-66.5-33.3170.800000113.5V135 R137V135-A139 WeakPolarHBondContact O-CB 3.47Å; V135-A139 PolarHBondContact O-N 3.21Å; V135-A139 VanDerWaalsContact O-N 3.13Å; R137-A139 VanDerWaalsContact C-N 3.3Å; R137-A139 PolarHBondContact O-N 3.09Å
140Q44.2Very low42.3Very low141 Ų141131.9 Ų131.966%0.65967%0.673SS**Hα-helixtrans-85.7-29-172.7-160.6163.87.700112.7L136 R137 Q143L136-Q140 WeakPolarHBondContact O-CB 3.43Å; R137-Q140 PolarHBondContact O-N 2.87Å; Q140-Q143 PolarHBondContact O-N 3.05Å
141E44.7Very low42.1Very low151 Ų151131 Ų13171%0.70667%0.669SS**Hα-helixtrans-73.2-37.5175.8-161.5154.7-136.700112R137 Q143 N144R137-E141 PolarHBondContact O-N 2.79Å; R137-E141 VanDerWaalsContact O-N 3.07Å; E141-Q143 PolarHBondContact O-N 2.69Å; E141-N144 PolarHBondContact O-N 3.37Å
142N46.2Very low41.7Very low105 Ų105132.7 Ų132.756%0.56168%0.676SS**Hα-helixtrans-63.5-26.1173.8-83.3-70.6000113.8E138E138-N142 PolarHBondContact O-ND2 2.86Å
143Q41.8Very low41.4Very low141 Ų141132.1 Ų132.166%0.65968%0.68SS**Hα-helixtrans-75.8-24.9-177.1-153.4170.634.700113.2Q140 E141Q140-Q143 PolarHBondContact O-N 3.05Å; E141-Q143 PolarHBondContact O-N 2.69Å
144N42.7Very low40.7Very low126 Ų126130.3 Ų130.367%0.67468%0.684SS**Hα-helixtrans-73.9-36.1176.3-100.5-6.6000112.9E141 Q146 Q147E141-N144 PolarHBondContact O-N 3.37Å; N144-Q146 VanDerWaalsContact C-N 3.27Å; N144-Q146 PolarHBondContact O-N 2.86Å; N144-Q147 PolarHBondContact O-N 2.82Å
145N44.3Very low40.2Very low126 Ų126132.4 Ų132.467%0.67470%0.699SS**Hα-helixtrans-70.7-18.2-176.9-93.4-20.5000114.2
146Q42.1Very low39.3Very low165 Ų165134.1 Ų134.177%0.77171%0.71SS**THydrogen-bonded Turntrans-82.2-12177.6-68.3-169.5-6.800114.3N144N144-Q146 VanDerWaalsContact C-N 3.27Å; N144-Q146 PolarHBondContact O-N 2.86Å
147Q41.6Very low38.6Very low169 Ų169133.4 Ų133.479%0.7971%0.713SS**THydrogen-bonded Turntrans-89.2-2.9-179.3-64.8-161.3-8.300114.4N144N144-Q147 PolarHBondContact O-N 2.82Å
148N39.4Very low37.9Very low134 Ų134131.3 Ų131.372%0.71772%0.715SS**SBendtrans-11322.2-168.1-142.85.6000114.6
149L41.2Very low37.2Very low147 Ų147129.8 Ų129.877%0.7772%0.715SS**SBendtrans-129.1-5.7-173.5-94.4165000116.2
150N35.8Very low36.6Very low167 Ų167135.3 Ų135.389%0.89373%0.729SS**SBendtrans-11648.9-177.1-85.5-21.3000112.8
151S31Very low35.7Very low98 Ų98132.2 Ų132.269%0.68574%0.735SS**  trans-145.761.1178.566.80000114.3
152T30.9Very low35Very low126 Ų126132.2 Ų132.277%0.77374%0.735SS**  trans-150.5123.8163.25.70000113.5
153Q30.3Very low34.2Very low185 Ų185134 Ų13486%0.86474%0.742SS**  trans66.393.4154.7-57.4-172.912.600119.5
154S30.7Very low33.7Very low111 Ų111135.6 Ų135.678%0.77675%0.747SS**  trans-58.3153.4147.453.60000114
155S29Very low33.2Very low103 Ų103133.8 Ų133.872%0.7275%0.749SS**  178.3148123.441.60000114.2
156T29.7Very low32.7Very low131 Ų131132.9 Ų132.980%0.80475%0.753SS**  trans60.5154.7159.950.10000120.1
157S29.2Very low32.3Very low85 Ų85132.9 Ų132.959%0.59475%0.753SS**  cis176.9169.1-43.549.10000109
158I31.4Very low31.8Very low149 Ų149129.3 Ų129.376%0.76474%0.742SS**  trans72.3134.2159.6-70.3160.8000115
159T31Very low31.3Very low102 Ų102130.8 Ų130.863%0.62675%0.745SS**  cis-158.3148.9-6.821.60000111.6
160E30.8Very low30.8Very low179 Ų179127.3 Ų127.384%0.83673%0.733SS**  trans51148.7138.2-61.1178.2125.300124
161G26.4Very low30.4Very low76 Ų76128.6 Ų128.678%0.78473%0.731SS**  trans166.948.8177.200000115.3
162Q29.3Very low30.1Very low152 Ų152128.6 Ų128.671%0.7173%0.731SS**  trans-55.8150.5-177.6-52.6-179.40.500112.9
163M29.3Very low30.9Very low142 Ų142128.1 Ų128.170%0.773%0.73SS**  -167142.465.9-77.4-159.3-157.400115.4
164K32.5Very low30.8Very low175 Ų175123.5 Ų123.576%0.76172%0.723SS**  trans48.1137.3131.4-57.9171.1-174.8166.10120.2
165A32.2Very low30.8Very low88 Ų88127.1 Ų127.173%0.72773%0.728SS**  cis-164.7-149.7-12.500000106.4
166S32.2Very low30.7Very low106 Ų106126.4 Ų126.474%0.74172%0.723SS**  cis-173.8147.3-5.432.30000106.4
167H34.7Very low30.6Very low166 Ų166127.9 Ų127.977%0.76973%0.725SS**  cis-153.7162.9-11.7-133.1-77.9000109.4
168T30.2Very low30.5Very low93 Ų93128.7 Ų128.757%0.57173%0.731SS**  trans-19.9166.5166.449.50000120.6
169Q29.3Very low30.2Very low165 Ų165132.6 Ų132.677%0.77174%0.736SS**  cis-149.4179.733.6-100.896.8-29.400111.7
170S29.8Very low30Very low75 Ų75133 Ų13352%0.52474%0.743SS.*  cis173.6144.6-48.159.30000111.7
171F27.7Very low29.7Very low194 Ų194130.2 Ų130.285%0.85174%0.738SS**  trans67.9154.2171.1-57.7-82.5000117.5
172S25.4Very low29.7Very low97 Ų97131.4 Ų131.468%0.67873%0.734SS**  cis-176-169.4-25.8-93.80000109
173P47.3Very low29.7Very low116 Ų116131.8 Ų131.875%0.75374%0.736SS**  -136.4166.6-65.242.2-26.4000116.5
174A29.3Very low29.5Very low88 Ų88130.9 Ų130.973%0.72774%0.738SS**  trans68.3156.1140.500000124.6
175Q29.6Very low29.2Very low188 Ų188131 Ų13188%0.87974%0.742SS**  trans68.8154162.9-64.4-175.919.800118.9
176S27.1Very low29.4Very low88 Ų88131.8 Ų131.862%0.61574%0.742SS**  cis-168-174.2-27.762.50000109.8
177L28.1Very low29.2Very low161 Ų161135 Ų13584%0.84375%0.745SS**  trans68.8157.8173.3-56.1168.6000117.1
178S26.4Very low29.3Very low102 Ų102135.6 Ų135.671%0.71375%0.746SS**  cis-167.2165.2-41.3560000110.6
179R26Very low29.3Very low232 Ų232135.8 Ų135.888%0.87574%0.74SS**  trans-46.4159.1165-58.6162.2179171-2.9111.9
180S26.6Very low29.7Very low110 Ų110132.2 Ų132.277%0.76973%0.733SS**  cis-149.7149.534.644.50000111.5
181V24.3Very low29.6Very low121 Ų121136.6 Ų136.673%0.73375%0.75SS**  76.5125.851.4175.20000114
182S25.3Very low29.9Very low100 Ų100132.3 Ų132.370%0.69974%0.744SS**  trans74.1152.1170.4-70.50000117.1
183Q29.3Very low29.9Very low161 Ų161136 Ų13675%0.75276%0.756SS**  cis-160.1139.47.7-134.6162.710.600114.3
184T25.6Very low29Very low122 Ų122134.5 Ų134.575%0.74875%0.747SS**  trans59.4167.4147.244.70000120
185Q27.2Very low29Very low178 Ų178138.4 Ų138.483%0.83275%0.751SS**  cis-143171.57.5-145.5163.521.600113.2
186S34.9Very low29Very low104 Ų104137 Ų13773%0.72775%0.749SS**  trans-92167.1-176.355.80000114.5
187Q29.8Very low29.1Very low175 Ų175141.6 Ų141.682%0.81876%0.761SS**  trans-158.4159.6130.2-115.5176.432.300113
188F36.8Very low29.2Very low178 Ų178140.7 Ų140.778%0.78176%0.762SS**  trans-138.3143.3178.1-138.9-72.2000107.7
189Q29.7Very low29.2Very low96 Ų96146.9 Ų146.945%0.44977%0.77SS.*  trans-163.3141.7153.5-124.1164.5109.200111.5N369 Q370Q189-N369 WeakPolarHBondContact CG-OD1 3.36Å; Q189-Q370 HydrophobicContact CG-CG 4.43Å
190S36.6Very low29.4Very low90 Ų90141.1 Ų141.163%0.62977%0.765SS**  trans-101.6154.2170.854.20000110.5
191L28.6Very low29.5Very low167 Ų167141.9 Ų141.987%0.87477%0.765SS**  trans-150.9137.2144.9-112.2176.2000109.9
192S33.4Very low29.6Very low104 Ų104139.9 Ų139.973%0.72776%0.761SS**  trans-82.1149.9172.652.70000111.1
193L27Very low30Very low176 Ų176145 Ų14592%0.92177%0.774SS**  trans-140.1160.7149.5-111.9173.5000110.8
194S27.6Very low29.8Very low83 Ų83140.6 Ų140.658%0.5877%0.772SS**  trans-111.6166.5-158.5570000113.5
195Q29.3Very low29.9Very low170 Ų170143.9 Ų143.979%0.79478%0.779SS**  trans65.1123159.9-64.8167.1-6.600117.1
196N29.2Very low29.9Very low160 Ų160142.6 Ų142.686%0.85678%0.776SS**  -154.9151.9101.7-104.6-44.6000112.3
197Q29.2Very low29.6Very low184 Ų184145.6 Ų145.686%0.8678%0.778SS**  trans-96.2139.7172.3-64.5173.4-18.400109.4
198T29.9Very low29.5Very low141 Ų141144.5 Ų144.587%0.86578%0.784SS**  trans-147.687.7159.54.50000112.6
199R26.7Very low29.1Very low232 Ų232144.9 Ų144.988%0.87579%0.788SS**  trans45.1113.5131.5-158.2176.1-164.91764.5119.2
200S30.8Very low29Very low112 Ų112144.5 Ų144.578%0.78380%0.801SS**  trans-80.4145.3156.21790000111.6
201V27.6Very low28.5Very low126 Ų126148.4 Ų148.476%0.76482%0.815SS**  trans177.8121.1154.4152.40000103.7
202A27.8Very low28.5Very low79 Ų79143.5 Ų143.565%0.65381%0.805SS**  cis92.7102.940.500000114.7
203H33Very low28.3Very low207 Ų207144.8 Ų144.896%0.95881%0.808SS**  trans30.6137.5153.1-81.2-99.7000124.2
204G25.1Very low28.3Very low69 Ų69141.4 Ų141.471%0.71180%0.8SS**  trans141.198.9162.200000111.7
205Q28.6Very low28.4Very low191 Ų191146.7 Ų146.789%0.89381%0.812SS**  92.9157.656.8-162.9175.321.500112.6
206I26.2Very low28.5Very low150 Ų150144.2 Ų144.277%0.76981%0.814SS**  trans78.6104.4-175.4-51174.7000112
207Q28.9Very low28.5Very low168 Ų168142 Ų14279%0.78581%0.81SS**  77.7125.263.5-77.8-165.4-3.400116.5
208T27.9Very low29.3Very low152 Ų152138.9 Ų138.993%0.93381%0.806SS**  trans-162.5156.1143.55.90000109
209Q27.6Very low29.4Very low186 Ų186136.8 Ų136.887%0.86980%0.797SS**  trans-116.4159.4-169.2-59.7172.9-14.400112.5
210A27Very low29.7Very low87 Ų87131.3 Ų131.372%0.71979%0.794SS**  trans-162126.5153.700000115
211N27.4Very low29.7Very low172 Ų172130.7 Ų130.792%0.9279%0.79SS**  trans62.9144142.6-57.9-15.1000123.9
212G27.9Very low29.8Very low64 Ų64129.4 Ų129.466%0.6679%0.787SS**  trans129.858.815300000118.8
213T29.4Very low29.9Very low131 Ų131132.5 Ų132.580%0.80479%0.792SS**  59.389.597.7650000120
214S28.1Very low29.6Very low106 Ų106129.3 Ų129.374%0.74178%0.782SS**  trans28.8136.6130.756.60000124.1
215K29.7Very low30.1Very low194 Ų194131.1 Ų131.184%0.84378%0.784SS**  179.6147116.8-103.4175.2-178.1179.50117.5
216S30.2Very low30.9Very low118 Ų118126.8 Ų126.883%0.82577%0.772SS**  trans65.3147.3147.2530000124.2
217S29.3Very low31.1Very low112 Ų112125.7 Ų125.778%0.78377%0.773SS**  trans-78.4176.5177.6-33.30000114
218P46.3Very low31.2Very low119 Ų119121.9 Ų121.977%0.77376%0.764SS**  -145.2149.375.939.5-21.7000118.5
219S30.9Very low31.4Very low97 Ų97120.7 Ų120.768%0.67876%0.757SS**  trans36.1129.8147.260.80000124.2
220S33.1Very low31.6Very low117 Ų117117 Ų11782%0.81875%0.751SS**  trans65.9143.3146.549.40000119.3
221S31.2Very low31.8Very low100 Ų100117.1 Ų117.170%0.69975%0.753SS**  cis-155.2152.76.247.20000113
222S29.7Very low32Very low99 Ų99114.4 Ų114.469%0.69275%0.747SS**  trans50.6145143.961.10000122.3
223L29.6Very low32.1Very low144 Ų144116.8 Ų116.875%0.75475%0.754SS**  cis-164.8156.8-10-106.6169.5000108.1
224N28.3Very low32.1Very low139 Ų139115.6 Ų115.674%0.74376%0.757SS**  trans54.2105.4152.9-61.6-7.1000121.3
225S34.5Very low32.2Very low108 Ų108115.1 Ų115.176%0.75576%0.759SS**  -72.1170.312363.10000109.5
226P45.6Very low33.8Very low100 Ų100111.3 Ų111.365%0.64976%0.755SS**  -158.8167.985.241.3-21000117.7
227T30.8Very low34.8Very low127 Ų127111.9 Ų111.978%0.77976%0.755SS**  trans57.6150.9141.450.90000122.2
228S31.7Very low34.9Very low87 Ų87116 Ų11661%0.60876%0.76SS**  cis-175.4165.1-13.351.50000111.3
229T30.6Very low34.2Very low128 Ų128115 Ų11579%0.78576%0.756SS**  trans58.5147.6150.245.50000118.9
230S31.5Very low34.1Very low107 Ų107115.7 Ų115.775%0.74876%0.761SS**  cis-160.5139.711.525.60000107.3
231A32.6Very low34Very low90 Ų90115.7 Ų115.774%0.74476%0.76SS**  85.3153.466.600000114.9
232S30.8Very low33.9Very low116 Ų116116.8 Ų116.881%0.81176%0.763SS**  trans70.6140.4-169.182.80000113.3
233S30Very low33.8Very low114 Ų114117.1 Ų117.180%0.79777%0.765SS**  cis135.4152.67.566.10000106.1
234A29.3Very low33.7Very low106 Ų106117.9 Ų117.988%0.87677%0.77SS**  cis-146.5-154.614.900000112
235A31.7Very low33.8Very low95 Ų95120.4 Ų120.479%0.78577%0.774SS**  trans-108.5176.2-163.200000114.6
236P63Low35.2Very low115 Ų115120.6 Ų120.675%0.74777%0.773SS**  trans-95.4-174.7-164.340.4-38.1000114.8
237P51.1Low35.3Very low129 Ų129121.7 Ų121.784%0.83878%0.78SS**  -142.2-153.1124.440.8-26.5000115.6
238F31.8Very low35.4Very low198 Ų198120.9 Ų120.987%0.86878%0.779SS**  trans-112.4175.2-149.7-95.2-106000117.3
239S29.9Very low35.3Very low99 Ų99123.8 Ų123.869%0.69279%0.794SS**  trans80.1104.7136.954.10000124.2
240S30.4Very low35.2Very low112 Ų112122.6 Ų122.678%0.78379%0.791SS**  44.3128.1122.265.30000124.4
241S30Very low35.1Very low116 Ų116122.4 Ų122.481%0.81179%0.789SS**  trans165.3171133.944.60000111
242T28.3Very low35.1Very low123 Ų123123.6 Ų123.676%0.75579%0.792SS**  cis-170.3159.5-39.1-76.20000107.6
243S27.6Very low35.2Very low106 Ų106122.6 Ų122.674%0.74179%0.785SS**  trans74.7157.8166.283.80000118
244L29.3Very low35.3Very low161 Ų161125 Ų12584%0.84379%0.788SS**  cis-158.8176.7-19-114.6171000110.7
245F28.4Very low36.7Very low191 Ų191125.5 Ų125.584%0.83878%0.782SS**  trans-83.3-166.4176.5-73.8-95.9000113.1
246P65.7Low36.5Very low112 Ų112132 Ų13273%0.72779%0.787SS**  -117.2-162.2-88.640.2-21000111.2
247P46.8Very low35.1Very low123 Ų123130.8 Ų130.880%0.79979%0.786SS**  -153-171.88341.1-20.8000115.2
248S33.4Very low34.2Very low110 Ų110130.7 Ų130.777%0.76978%0.783SS**  trans-116.3154171.955.50000111.9
249T28.9Very low34Very low149 Ų149128.9 Ų128.991%0.91478%0.78SS**  trans-172.3175.7158.56.10000110.7
250S29.1Very low34.1Very low103 Ų103135.2 Ų135.272%0.7279%0.788SS**  trans-131159.1-157.158.20000117.1
251S29.8Very low34.2Very low102 Ų102135.2 Ų135.271%0.71379%0.788SS**  trans74.9139.6143.759.60000122.8
252S31.2Very low34.3Very low115 Ų115136.1 Ų136.180%0.80479%0.789SS**  trans77.2145.6152.472.50000120
253S33.1Very low34.4Very low95 Ų95138.2 Ų138.266%0.66479%0.794SS**  cis-175.2147-18.7530000115
254L32.7Very low34.6Very low165 Ų165139 Ų13986%0.86479%0.794SS**  trans65.9178.4141.8-72.4171.1000118.3
255P58.8Low34.6Very low116 Ų116139 Ų13975%0.75380%0.795SS**  cis-136.3-176.83.743.6-26.7000118.6
256R27Very low35.1Very low233 Ų233136 Ų13688%0.87979%0.792SS**  trans115.6108.2147-164175-174.6170.60.5116
257A34.6Very low34Very low88 Ų88136.7 Ų136.773%0.72780%0.797SS**  cis96112.73.300000119.6
258T31Very low33.4Very low128 Ų128137.2 Ų137.279%0.78580%0.797SS**  trans172.2142.8152.330.50000108.1
259M28.6Very low33.8Very low160 Ų160138.2 Ų138.279%0.78880%0.802SS**  cis-146.5140.7-3.9-82.4-132.3-171.600108.2
260R32.2Very low33.9Very low231 Ų231142.7 Ų142.787%0.87280%0.802SS**  53.9140.492.3-80.1-170.7175.7-166.6-0.8116.3
261S31.4Very low34Very low113 Ų113144 Ų14479%0.7981%0.805SS**  cis-164.6170.61.734.80000114.3
262T32.2Very low35Very low134 Ų134145.1 Ų145.182%0.82281%0.81SS**  trans-85.1148.3-167.8-34.80000117.1
263I31.5Very low35.2Very low167 Ų167145.3 Ų145.386%0.85681%0.811SS**  trans-138.3167.9154.4-67.2-170000109.8
264T30.6Very low35.4Very low122 Ų122145.4 Ų145.475%0.74882%0.817SS**  trans-105165.2-151.72.40000118.5
265L30Very low35.5Very low163 Ų163143.4 Ų143.485%0.85382%0.818SS**  trans79.6156.6152-72.5165.8000121
266T38Very low34Very low127 Ų127141 Ų14178%0.77981%0.814SS**  trans-103.7162.2-172.448.60000113
267P42.4Very low34.2Very low127 Ų127139 Ų13983%0.82582%0.819SS**  -141.6169.6125.238.4-26.3000114.7
268T34.8Very low33.8Very low133 Ų133138.5 Ų138.582%0.81682%0.823SS**  trans-101.9158175.7470000112.9
269P42.2Very low33.7Very low132 Ų132138.2 Ų138.286%0.85783%0.827SS**  trans-80.7164.1164.334.2-33.6000112
270R30Very low33.8Very low243 Ų243134.9 Ų134.992%0.91782%0.824SS**  trans-134.1149.9-164.3-156.8-174.4-159.7-177.46.6111.9
271V32.9Very low33.7Very low130 Ų130128.6 Ų128.679%0.78882%0.816SS**  trans-100142.2171.3-179.70000109.3
272P49.4Very low33.8Very low126 Ų126131.1 Ų131.182%0.81882%0.82SS**  trans-79.8173.5-175.632-36.8000115
273S35.4Very low34.8Very low118 Ų118130.4 Ų130.483%0.82582%0.817SS**  trans-155.8144.8-159.958.30000114.9
274A37Very low34.7Very low97 Ų97127.1 Ų127.180%0.80282%0.815SS**  trans-178.9154.2157.700000110.7
275S35.3Very low34.5Very low124 Ų124128.8 Ų128.887%0.86782%0.819SS**  cis-175.5149.7-19.3530000111.9
276G27.5Very low34.5Very low65 Ų65128.8 Ų128.867%0.6782%0.815SS**  trans131.9112.6169.600000113.3
277L30.2Very low34.1Very low190 Ų190129.4 Ų129.4100%0.99581%0.814SS**  64116.769.5-59.9171.6000112.5
278G28.2Very low33.5Very low79 Ų79128.8 Ų128.881%0.81481%0.808SS**  cis-163.1-160.4-1.800000109.4
279S28.5Very low33.3Very low122 Ų122130 Ų13085%0.85381%0.808SS**  cis-166.9-172.6-4.861.30000112.1
280A30.3Very low32.7Very low90 Ų90129.4 Ų129.474%0.74481%0.807SS**  trans-7155.1161.800000123.2
281S29.2Very low32.7Very low99 Ų99122.4 Ų122.469%0.69280%0.801SS**  cis-178.2140.8-4.149.10000116.6
282L34.1Very low32.8Very low166 Ų166122 Ų12287%0.86980%0.804SS**  trans72.2176.5142-58.4171000119.3
283P52.7Low32.2Very low118 Ų118120.9 Ų120.977%0.76681%0.806SS**  -144.4170.7-10339-14.9000119.2
284A29.2Very low32.3Very low98 Ų98119 Ų11981%0.8180%0.797SS**  trans177.8158.2156.100000109.3
285N28Very low32.2Very low157 Ų157125 Ų12584%0.8480%0.8SS**  cis-146.2177.8-8.5-145.77.2000110
286Q29.9Very low32.1Very low163 Ų163126.4 Ų126.476%0.76280%0.797SS**  trans-86.6150.7174.2-64.3171.1-28.800112.3
287D28.6Very low32.2Very low141 Ų141128.3 Ų128.375%0.75480%0.8SS**  170142.1109.9-93.5-34.5000117.9
288T31Very low32.5Very low114 Ų114124.5 Ų124.570%0.69979%0.788SS**  trans54.2120.9151.258.20000124.9
289L29.9Very low32.6Very low159 Ų159127.2 Ų127.283%0.83279%0.789SS**  46.6126.5127.5-52.5172.1000120.3
290S29.9Very low32.8Very low118 Ų118128.9 Ų128.983%0.82579%0.787SS**  cis75.7100.640.1-165.40000116.5
291A30.3Very low33.4Very low96 Ų96129.8 Ų129.879%0.79379%0.786SS**  trans-171.8173.8154.900000111.5
292S34.6Very low33.5Very low122 Ų122129.6 Ų129.685%0.85378%0.784SS**  trans-156.8172-179.6-63.60000112.8
293A36.5Very low33.3Very low103 Ų103126.6 Ų126.685%0.85178%0.777SS**  trans74156.317200000117.1
294A38.3Very low32.1Very low78 Ų78131.2 Ų131.265%0.64579%0.786SS**  cis-172.9-172-21.800000110.6
295Y34.9Very low32.1Very low223 Ų223131.1 Ų131.188%0.87578%0.779SS**  trans73.4162.6165.5-74.8-77.1000117.9
296L32.8Very low32.2Very low153 Ų153128.2 Ų128.280%0.80177%0.771SS**  cis-145.4-173.910.8-134.7175.1000111.5
297C28.6Very low32.3Very low106 Ų106129.3 Ų129.372%0.71677%0.773SS**  trans-128.6169.1-176.4-58.50000114.2
298S36.3Very low32.3Very low109 Ų109130.3 Ų130.376%0.76278%0.778SS**  124.9166.2129.274.80000119.9
299V31.3Very low32.4Very low136 Ų136129.8 Ų129.882%0.82478%0.779SS**  trans96.6138.8166.5-168.40000118.7
300L33Very low33.3Very low157 Ų157127.1 Ų127.182%0.82277%0.771SS**  trans-133.2156.9178.2-97.8173.5000106.6
301P43.4Very low33.4Very low110 Ų110126.5 Ų126.571%0.71477%0.767SS**  -162.3169.482.943.1-21.5000120.3
302S31.3Very low33.5Very low94 Ų94127.2 Ų127.266%0.65777%0.766SS**  trans57.9113.3137.766.20000123.9
303S29.5Very low33.3Very low103 Ų103127.3 Ų127.372%0.7277%0.767SS**  51133.1127.567.10000123
304F27.6Very low33.3Very low215 Ų215130.1 Ų130.194%0.94377%0.766SS**  -154174.2124.6-122.1-82.2000111.3
305S28.2Very low34Very low97 Ų97132.2 Ų132.268%0.67877%0.773SS**  trans-140.1143.3-168.2-173.20000114.8
306S30.6Very low34.2Very low95 Ų95130 Ų13066%0.66477%0.77SS**  trans80.3149149.183.70000122
307K30.9Very low35.2Very low186 Ų186127.8 Ų127.881%0.80977%0.765SS**  trans92.6127.4137.8-87.1171.7-179.2179.10122.4
308L29.8Very low35.4Very low162 Ų162127.7 Ų127.785%0.84877%0.765SS**  trans95.6127.4140.3-69.4162.6000121.4
309S31.9Very low35.2Very low103 Ų103128.9 Ų128.972%0.7277%0.768SS**  trans-94.4-171.2162.858.40000108.3
310P50.8Low35.4Very low104 Ų104127.2 Ų127.268%0.67576%0.763SS**  cis-147.2-175.721.743.5-22000118.5
311S30.4Very low36.4Very low105 Ų105124.8 Ų124.873%0.73476%0.756SS**  trans66.5154.5150.863.40000120.3
312S32.5Very low36Very low110 Ų110124.4 Ų124.477%0.76976%0.756SS**  cis-176.4132.3-27.7540000111.2
313S30.9Very low35.9Very low125 Ų125126.1 Ų126.187%0.87477%0.766SS**  trans-172.9160154.851.60000113.9
314I37.5Very low36.1Very low161 Ų161126.7 Ų126.783%0.82677%0.771SS**  trans-137.9138.9-175.2-75173.7000105
315P51.1Low37.4Very low122 Ų122121.7 Ų121.779%0.79276%0.76SS**  -153.8176.571.740.1-17.4000119.9
316H39.4Very low37.6Very low178 Ų178125.4 Ų125.482%0.82477%0.771SS**  trans-80.9-174.5164.8-78.1-63.9000111.6
317P54.3Low37.7Very low105 Ų105125 Ų12568%0.68277%0.773SS**  cis-148.3174.416.843.2-22.4000120.7
318S33.5Very low38.7Very low105 Ų105121.9 Ų121.973%0.73477%0.772SS**  trans64.1157.9150.460.40000119.3
319T30.7Very low39Very low133 Ų133119 Ų11982%0.81677%0.765SS**  cis-153.317814.6-24.60000112.2
320S35.4Very low39.2Very low102 Ų102119.2 Ų119.271%0.71377%0.767SS**  trans-88.1-170.1173.556.40000112.5
321P54Low39.4Very low106 Ų106120.4 Ų120.469%0.68878%0.775SS**  cis-15317116.646.1-24.2000122.1
322S35.3Very low39.5Very low102 Ų102122.6 Ų122.671%0.71378%0.778SS**  trans55.3141.413669.40000128.1
323C29Very low39.6Very low129 Ų129123.9 Ų123.987%0.87278%0.775SS**  trans103.8150.4141.7-74.40000123.6
324S33.8Very low40.7Very low116 Ų116123 Ų12381%0.81177%0.767SS**  trans-105.8-164.6-172.5-28.80000112.3
325P54.5Low40.3Very low110 Ų110123 Ų12371%0.71477%0.765SS**  cis-154.8-173.527.746.5-23.7000120.8
326L32.3Very low39.3Very low175 Ų175127.2 Ų127.292%0.91677%0.765SS**  trans75.3167.5147.4-79160.7000124.3
327A32.7Very low38.8Very low86 Ų86123.7 Ų123.771%0.71176%0.756SS**  trans-138.2178.4-165.700000113.7
328P53.7Low37.6Very low120 Ų120123.9 Ų123.978%0.77976%0.76SS**  -162.8156.711641.9-21.7000122
329S35.3Very low37.4Very low101 Ų101123.6 Ų123.671%0.70676%0.764SS**  trans50.2123.9136.770.60000128.9
330S36.1Very low37.2Very low108 Ų108122.1 Ų122.176%0.75576%0.759SS**  53.9147.5118-44.50000124.4
331P55.1Low36.9Very low129 Ų129123.2 Ų123.284%0.83876%0.761SS**  -145-163.482.639.4-19.5000116.5
332L33.4Very low35.6Very low152 Ų152123 Ų12380%0.79676%0.763SS**  trans-131.5-170.9-159.2-54.8175.8000113.2
333L33.7Very low35.3Very low137 Ų137123.4 Ų123.472%0.71777%0.765SS**  cis-161.8-56.716.5-149.6160.9000119.5
334P53.1Low35.4Very low107 Ų107125.4 Ų125.470%0.69577%0.766SS**  -109.6138.8-119.237.9-38.6000123.2
335M30.2Very low35.6Very low161 Ų161125.5 Ų125.579%0.79377%0.765SS**  85.4130.4128-75.2-69.9148.400126.6
336R29Very low34.5Very low210 Ų210129.1 Ų129.179%0.79277%0.772SS**  trans109.299.1130.4-98.5-179.8171.8-105.52.3124
337T29.4Very low34.9Very low104 Ų104130 Ų13064%0.63877%0.771SS**  66.7111.9125.752.80000124.9
338S29.7Very low35.2Very low109 Ų109131 Ų13176%0.76277%0.77SS**  76.1120.5124.467.60000124.6
339A28.5Very low34Very low99 Ų99132.7 Ų132.782%0.81877%0.772SS**  trans65141.4144.800000119.8
340S27.5Very low34Very low101 Ų101133.6 Ų133.671%0.70678%0.776SS**  cis-163.7-176-9.855.70000110.7
341T27.6Very low33.8Very low125 Ų125135 Ų13577%0.76778%0.78SS**  trans86.7125.5168.667.80000121.6
342S27.1Very low32.8Very low103 Ų103134 Ų13472%0.7278%0.775SS**  trans65.1135.4142.3540000124.3
343S28.8Very low33.3Very low109 Ų109132.5 Ų132.576%0.76278%0.775SS**  trans66.1110.1155.861.80000120.4
344L32.5Very low33.1Very low171 Ų171131 Ų13190%0.89578%0.776SS**  -175.4172.1120.1-93.6165.9000108.6
345P38.3Very low32.2Very low119 Ų119132.9 Ų132.977%0.77378%0.779SS**  trans-89.3167-14335.1-38.9000116.9
346Q29.8Very low33Very low185 Ų185130.5 Ų130.586%0.86478%0.776SS**  trans-86132.4-178.2-63.7174.3-1500113.6
347Q42.2Very low33.1Very low193 Ų193128.2 Ų128.290%0.90277%0.774SS**  -139.2129.8128.9-75.1-164.8-1.900107.8
348P38.2Very low33.2Very low107 Ų107128.4 Ų128.470%0.69578%0.778SS**  trans-150.5151.2132.734.6-17.4000115.9
349L29.7Very low33.7Very low156 Ų156128.9 Ų128.982%0.81778%0.779SS**  trans63135.9148.2-64.7165.2000121.1
350P34.9Very low33.8Very low121 Ų121129.6 Ų129.679%0.78678%0.778SS**  trans-96.4145155.736.2-29.4000112.1
351V30.3Very low34.4Very low138 Ų138130.6 Ų130.684%0.83679%0.785SS**  trans-139.7144.3167.9-176.50000109.7
352S34.8Very low34.5Very low107 Ų107130.6 Ų130.675%0.74879%0.79SS**  trans-72173.9-170.8-27.60000114.3
353P45.1Very low34.8Very low120 Ų120131.5 Ų131.578%0.77980%0.796SS**  cis-123.3-162.549.629.6-6.1000112.1
354S28.7Very low34.9Very low107 Ų107134.2 Ų134.275%0.74880%0.801SS**  cis-154.5160.717.9-52.30000114.4
355L33.5Very low35.1Very low146 Ų146132.1 Ų132.176%0.76480%0.798SS**  trans-138.8167.4156.8-95.1172000106.5
356P46.6Very low34.7Very low110 Ų110134.5 Ų134.571%0.71480%0.799SS**  cis-141-175.636.237.3-14.3000115
357H32Very low34.6Very low162 Ų162133.8 Ų133.875%0.7580%0.797SS**  cis-156.1170.3-17.3-113.3-33.4000111.3
358C32.3Very low34Very low108 Ų108131.3 Ų131.373%0.7379%0.79SS**  trans-85.1-172.3165.6-47.30000111
359P38.9Very low33.5Very low120 Ų120129.7 Ų129.778%0.77978%0.776SS**  -125.8151.957.313.211.2000112.8
360S30.6Very low33.6Very low114 Ų114128.7 Ų128.780%0.79777%0.767SS**  cis95143.835.686.10000115
361S40.9Very low33.5Very low122 Ų122127.1 Ų127.185%0.85376%0.759SS**  trans-99.3172.7-163.151.30000114.9
362S30.3Very low33.3Very low125 Ų125131.3 Ų131.387%0.87476%0.76SS**  trans-154.2164.2163.161.50000112.4
363S31.9Very low33Very low122 Ų122132.4 Ų132.485%0.85376%0.762SS**  trans-138.7173.6-175.453.10000112.6
364L32Very low32.3Very low166 Ų166134.8 Ų134.887%0.86976%0.762SS**  trans-67.7159-167.8-65.2162.9000114.9
365P36.8Very low33.6Very low127 Ų127134.2 Ų134.283%0.82576%0.756SS**  -144.9-174.2100.737.9-21.6000115.7
366Q30.1Very low33.2Very low169 Ų169133 Ų13379%0.7976%0.755SS**  trans-108.2159.3-175.9-55.8173.9-47.100113.5
367M27.1Very low32.2Very low170 Ų170133.3 Ų133.384%0.83775%0.754SS**  164.3153.8107.1-90.6-132.6172.100117.1
368N29.4Very low32Very low140 Ų140131.6 Ų131.675%0.74976%0.755SS**  trans86.4164.9149.6-139.63.2000121.8
369N28.5Very low31.8Very low74 Ų74131.7 Ų131.740%0.39676%0.757SS.*  trans-114.4-163.8-170.9-49.1-92.5000109.5Q189Q189-N369 WeakPolarHBondContact CG-OD1 3.36Å
370Q30Very low31.3Very low135 Ų135133.4 Ų133.463%0.63176%0.759SS**  cis-159.2-175.57.1-140135.89.200106.9Q189Q189-Q370 HydrophobicContact CG-CG 4.43Å
371S32.6Very low31.8Very low87 Ų87133.2 Ų133.261%0.60876%0.755SS**  cis-144-99.38.258.20000113.5
372R27.8Very low31.3Very low227 Ų227132.7 Ų132.786%0.85776%0.757SS**  trans-171.2150.5-170.1-175.9-177.7-179-168.11.5111.2
373V28.1Very low31.3Very low130 Ų130130.2 Ų130.279%0.78875%0.752SS**  trans158.6142.8134.6160.20000112.7
374Q29.8Very low31Very low169 Ų169134.7 Ų134.779%0.7975%0.752SS**  trans-131.3171.6174.7-84.6-103.85.500106.3
375P55.6Low30.9Very low95 Ų95136.3 Ų136.362%0.61775%0.752SS**  cis-143.8-158.32044.5-24.3000114.1
376T25Very low30.6Very low121 Ų121134 Ų13474%0.74275%0.751SS**  177.3109.4125.3-680000107.6
377V27.5Very low30.7Very low117 Ų117132.8 Ų132.871%0.70976%0.755SS**  59.5131.184.3-168.40000111.2
378V26.8Very low31.5Very low125 Ų125129.9 Ų129.976%0.75875%0.749SS**  cis-131.9-139.148.9-150.80000114.4
379S28.3Very low31.6Very low110 Ų110129.9 Ų129.977%0.76975%0.749SS**  trans-173.4-164.5-165.3-760000110.8
380L29.1Very low31.9Very low157 Ų157132 Ų13282%0.82276%0.764SS**  trans104.1150.7165.4-58.4-178.7000117.2
381P39.7Very low32.4Very low110 Ų110133.7 Ų133.771%0.71478%0.777SS**  cis-141.7149.6-26.634.3-15000118.6
382A30.9Very low32.7Very low110 Ų110135.3 Ų135.391%0.90979%0.786SS**  trans57.5133.413300000125.6
383G30.3Very low33.4Very low73 Ų73132.8 Ų132.875%0.75378%0.781SS**  trans111.9137.8154.900000115.5
384Y26.5Very low33.8Very low217 Ų217132.9 Ų132.985%0.85178%0.784SS**  cis-164.2154.7-2.7-139.5-68.4000110.5
385K29.8Very low33.8Very low200 Ų200130.6 Ų130.687%0.8778%0.776SS**  trans73135166.7-52.2-175-178.8177.80118.7
386G30.2Very low32.8Very low79 Ų79133.4 Ų133.481%0.81479%0.785SS**  trans140.497.1157.900000116.8
387T31.7Very low33.2Very low142 Ų142136.9 Ų136.987%0.87179%0.79SS**  trans-145.7163.7166.156.20000109.1
388P43.9Very low33.6Very low110 Ų110139.8 Ų139.871%0.71479%0.793SS**  cis-125.1-155.90.542.1-26.2000113.4
389N30.7Very low33.8Very low140 Ų140138.9 Ų138.975%0.74979%0.792SS**  trans94.8101.9165-67.1-7.4000120.4
390T35.5Very low34Very low117 Ų117140.4 Ų140.472%0.71880%0.796SS**  33.9110.4122.516.30000120.5
391L41Very low34.3Very low171 Ų171136.5 Ų136.590%0.89579%0.787SS**  trans32.7102142.3-71170.8000119.3
392P39.3Very low34.5Very low122 Ų122137.4 Ų137.479%0.79279%0.793SS**  trans-110.9157.8150.31.520000113.7
393K42.3Very low34.9Very low174 Ų174143.5 Ų143.576%0.75779%0.792SS**  trans-72.7174167.2-52162.8-172.5171.90110.2I395K393-I395 HydrophobicContact CB-CG1 4.39Å; K393-I395 HydrophobicContact CD-CD1 3.88Å; K393-I395 HydrophobicContact CD-CG1 4.42Å
394P36.3Very low35.5Very low131 Ų131145.9 Ų145.985%0.85180%0.795SS**  trans-118162.1133.234.5-31000113.2
395I30Very low35.8Very low122 Ų122140.9 Ų140.963%0.62679%0.792SS**  trans-146.9136.8-163.8-84.3177.9000109.8K393K393-I395 HydrophobicContact CB-CG1 4.39Å; K393-I395 HydrophobicContact CD-CD1 3.88Å; K393-I395 HydrophobicContact CD-CG1 4.42Å
396L34.8Very low36.6Very low153 Ų153137.1 Ų137.180%0.80179%0.79SS**  trans52.3140.4159.5-71.1166.3000121.1
397K33Very low37Very low194 Ų194139.1 Ų139.184%0.84379%0.792SS**  -179.6145.7116-95.4151.1-168.6172.70110.2
398K35.6Very low38Very low179 Ų179143.8 Ų143.878%0.77879%0.793SS**  cis-161.8166.3-9.4-151.2-174178.2-172.50110.7
399S30.7Very low37.8Very low106 Ų106142.7 Ų142.774%0.74179%0.788SS**  trans75151.4161-52.30000115
400V32.8Very low38.9Very low141 Ų141140 Ų14086%0.85578%0.777SS**  cis-142-177.8-6.380.10000110
401A34.7Very low39.6Very low76 Ų76141 Ų14163%0.62878%0.778SS**  trans-136.2167.5168.200000110.4
402P45.2Very low40.3Very low129 Ų129140.3 Ų140.384%0.83877%0.77SS**  -134.717097.738.7-29.7000114.9
403R37.9Very low41Very low237 Ų237138.9 Ų138.989%0.89476%0.756SS**  trans-94.5156.4169-63.3-179.9171.9-170.4-3.6110
404P44.2Very low41.6Very low124 Ų124134.7 Ų134.781%0.80574%0.741SS**  -134.5179.588.839.1-27.8000111.5
405S31.6Very low42.5Very low112 Ų112132.3 Ų132.378%0.78372%0.718SS**  cis-152.4176.6-15.834.30000107.8
406S46.6Very low44Very low121 Ų121128.5 Ų128.585%0.84671%0.71SS**  trans-72.8133.4-179.152.50000114.3
407S39.4Very low45.3Very low120 Ų120125.1 Ų125.184%0.83970%0.699SS**  trans-12815614265.10000109.1
408R52.4Low47Very low241 Ų241121.3 Ų121.391%0.90968%0.682SS**  trans-12185.1-168.1-177.6-176.3-174.5176.30.9108.4
409S40.9Very low48.7Very low87 Ų87116 Ų11661%0.60866%0.662SS**  trans-62.1142.2169.654.50000109.6
410T52.3Low50.7Low84 Ų84113.7 Ų113.752%0.51565%0.65SS.*  trans-84.7158-173.927.40000111.6E412 D413T410-E412 PolarHBondContact O-N 3Å; T410-E412 VanDerWaalsContact O-N 3.15Å; T410-D413 PolarHBondContact N-OD2 3.24Å; T410-D413 WeakPolarHBondContact O-CB 3.35Å; T410-D413 PolarHBondContact O-N 2.75Å; T410-D413 PolarHBondContact OG1-OD2 2.83Å
411D51.3Low52.9Low137 Ų137112 Ų11273%0.73364%0.635SS**Hα-helixtrans-59.4-25.9177.5-72.4-73.8000112.7D413 I414 Q415D411-D413 VanDerWaalsContact C-N 3.3Å; D411-D413 PolarHBondContact O-N 3.07Å; D411-I414 PolarHBondContact O-N 3.07Å; D411-I414 VanDerWaalsContact O-N 3.14Å; D411-Q415 WeakPolarHBondContact O-CB 3.31Å; D411-Q415 PolarHBondContact O-N 3.2Å
412E54.5Low55.1Low156 Ų156112.3 Ų112.373%0.72963%0.626SS**Hα-helixtrans-50-44.9167.7-64.8-67.2125.800112.8T410 I414 Q415 G416T410-E412 PolarHBondContact O-N 3Å; T410-E412 VanDerWaalsContact O-N 3.15Å; E412-I414 VanDerWaalsContact C-N 3.3Å; E412-I414 PolarHBondContact O-N 2.85Å; E412-Q415 PolarHBondContact O-N 3.49Å; E412-G416 PolarHBondContact O-N 3.34Å
413D53.9Low56.7Low92 Ų92112.7 Ų112.749%0.49262%0.616SS.*Hα-helixtrans-66.8-34.2-178.9-58.7-66.8000111.5T410 D411 S417T410-D413 PolarHBondContact N-OD2 3.24Å; T410-D413 WeakPolarHBondContact O-CB 3.35Å; T410-D413 PolarHBondContact O-N 2.75Å; T410-D413 PolarHBondContact OG1-OD2 2.83Å; D411-D413 VanDerWaalsContact C-N 3.3Å; D411-D413 PolarHBondContact O-N 3.07Å; D413-S417 VanDerWaalsContact O-CB 3.31Å; D413-S417 WeakPolarHBondContact O-CB 3.28Å; D413-S417 PolarHBondContact O-N 2.86Å
414I56.1Low58.9Low87 Ų87104.1 Ų104.145%0.44659%0.588SS.*Hα-helixtrans-76.9-37.6178.7-57.8177.3000110.2D411 E412 K418D411-I414 PolarHBondContact O-N 3.07Å; D411-I414 VanDerWaalsContact O-N 3.14Å; E412-I414 VanDerWaalsContact C-N 3.3Å; E412-I414 PolarHBondContact O-N 2.85Å; I414-K418 PolarHBondContact O-N 2.94Å; I414-K418 VanDerWaalsContact O-N 3.13Å
415Q55.2Low60.7Low80 Ų80103.1 Ų103.137%0.37458%0.575SS.*Hα-helixtrans-73.8-45.2179.5-172.452.937.800111.6D411 E412 S417 K418 D419D411-Q415 WeakPolarHBondContact O-CB 3.31Å; D411-Q415 PolarHBondContact O-N 3.2Å; E412-Q415 PolarHBondContact O-N 3.49Å; Q415-S417 PolarHBondContact O-N 3.46Å; Q415-K418 WeakPolarHBondContact O-CB 3.43Å; Q415-K418 PolarHBondContact O-N 2.9Å; Q415-D419 PolarHBondContact NE2-OD1 3.48Å; Q415-D419 PolarHBondContact NE2-OD2 3.42Å; Q415-D419 PolarHBondContact O-N 3.3Å
416G61.8Low63.2Low43 Ų43101.9 Ų101.944%0.44356%0.557SS.*Hα-helixtrans-58.2-35.2172.400000113E412 D419 A420E412-G416 PolarHBondContact O-N 3.34Å; G416-D419 PolarHBondContact O-N 2.88Å; G416-A420 VanDerWaalsContact O-CB 3.3Å; G416-A420 WeakPolarHBondContact O-CB 3.45Å; G416-A420 PolarHBondContact O-N 2.95Å
417S62.2Low65Low82 Ų82103.3 Ų103.357%0.57355%0.548SS*.Hα-helixtrans-66.1-40.4173-173.80000112.9D413 Q415 L421D413-S417 VanDerWaalsContact O-CB 3.31Å; D413-S417 WeakPolarHBondContact O-CB 3.28Å; D413-S417 PolarHBondContact O-N 2.86Å; Q415-S417 PolarHBondContact O-N 3.46Å; S417-L421 WeakPolarHBondContact O-CB 3.45Å; S417-L421 PolarHBondContact O-N 2.86Å; S417-L421 VanDerWaalsContact O-N 3.14Å
418K67.3Low67Low113 Ų113103.4 Ų103.449%0.49153%0.534SS..Hα-helixtrans-64.5-45.7172-75.3171.5179.6168.40112.1I414 Q415 A420 L421 I422I414-K418 PolarHBondContact O-N 2.94Å; I414-K418 VanDerWaalsContact O-N 3.13Å; Q415-K418 WeakPolarHBondContact O-CB 3.43Å; Q415-K418 PolarHBondContact O-N 2.9Å; K418-A420 VanDerWaalsContact C-N 3.35Å; K418-A420 PolarHBondContact O-N 2.79Å; K418-L421 CarbonylContact O-C 3.5Å; K418-L421 WeakPolarHBondContact O-CA 3.45Å; K418-L421 WeakPolarHBondContact O-CB 3.27Å; K418-L421 PolarHBondContact O-N 2.79Å; K418-L421 VanDerWaalsContact O-N 3.1Å; K418-I422 WeakPolarHBondContact O-CG1 3.41Å; K418-I422 PolarHBondContact O-N 2.8Å
419D72.7Confident68.2Low67 Ų6796.8 Ų96.836%0.35852%0.515SS..Hα-helixtrans-71.3-33.1-174.6-65.5-32.5000111.5Q415 G416 I422 Q423Q415-D419 PolarHBondContact NE2-OD1 3.48Å; Q415-D419 PolarHBondContact NE2-OD2 3.42Å; Q415-D419 PolarHBondContact O-N 3.3Å; G416-D419 PolarHBondContact O-N 2.88Å; D419-I422 PolarHBondContact O-N 3.03Å; D419-Q423 WeakPolarHBondContact O-CG 3.4Å; D419-Q423 PolarHBondContact O-N 2.79Å
420A71.5Confident69.6Low58 Ų5899.5 Ų99.548%0.47951%0.512SS..Hα-helixtrans-61.7-42.2166.600000112.5G416 K418 Q423 D424G416-A420 VanDerWaalsContact O-CB 3.3Å; G416-A420 WeakPolarHBondContact O-CB 3.45Å; G416-A420 PolarHBondContact O-N 2.95Å; K418-A420 VanDerWaalsContact C-N 3.35Å; K418-A420 PolarHBondContact O-N 2.79Å; A420-Q423 PolarHBondContact O-N 2.96Å; A420-D424 WeakPolarHBondContact O-CB 3.26Å; A420-D424 PolarHBondContact O-N 2.8Å
421L79.2Confident70.5Confident106 Ų10698 Ų9856%0.55551%0.506SS*.Hα-helixtrans-66.7-37.8176.4-170.970.2000112.1S417 K418 D424 L425S417-L421 WeakPolarHBondContact O-CB 3.45Å; S417-L421 PolarHBondContact O-N 2.86Å; S417-L421 VanDerWaalsContact O-N 3.14Å; K418-L421 CarbonylContact O-C 3.5Å; K418-L421 WeakPolarHBondContact O-CA 3.45Å; K418-L421 WeakPolarHBondContact O-CB 3.27Å; K418-L421 PolarHBondContact O-N 2.79Å; K418-L421 VanDerWaalsContact O-N 3.1Å; L421-D424 PolarHBondContact O-N 2.87Å; L421-L425 HydrophobicContact CG-CD1 4.26Å; L421-L425 WeakPolarHBondContact O-CB 3.44Å; L421-L425 VanDerWaalsContact O-CG 3.3Å; L421-L425 WeakPolarHBondContact O-CG 3.36Å; L421-L425 PolarHBondContact O-N 3.09Å
422I80.1Confident71.4Confident83 Ų8398.7 Ų98.743%0.42650%0.502SS..Hα-helixtrans-64.7-47.7174.3-69.7163.5000109.9K418 D419 D424 L425 E426K418-I422 WeakPolarHBondContact O-CG1 3.41Å; K418-I422 PolarHBondContact O-N 2.8Å; D419-I422 PolarHBondContact O-N 3.03Å; I422-D424 VanDerWaalsContact C-N 3.34Å; I422-D424 PolarHBondContact O-N 2.68Å; I422-L425 PolarHBondContact O-N 2.98Å; I422-E426 HydrophobicContact CG2-CG 4.46Å; I422-E426 WeakPolarHBondContact O-CG 3.05Å; I422-E426 PolarHBondContact O-N 3.28Å
423Q79.6Confident72.1Confident136 Ų13694.4 Ų94.464%0.63648%0.482SS*.Hα-helixtrans-61.1-39.4176.8-74.6-17319.200112.9D419 A420 K427D419-Q423 WeakPolarHBondContact O-CG 3.4Å; D419-Q423 PolarHBondContact O-N 2.79Å; A420-Q423 PolarHBondContact O-N 2.96Å; Q423-K427 WeakPolarHBondContact O-CB 3.41Å; Q423-K427 PolarHBondContact O-N 2.87Å
424D84.9Confident72.6Confident58 Ų5892.7 Ų92.731%0.3148%0.48SS..Hα-helixtrans-68.2-42.1174.717460.2000112.3A420 L421 I422 K427 K428A420-D424 WeakPolarHBondContact O-CB 3.26Å; A420-D424 PolarHBondContact O-N 2.8Å; L421-D424 PolarHBondContact O-N 2.87Å; I422-D424 VanDerWaalsContact C-N 3.34Å; I422-D424 PolarHBondContact O-N 2.68Å; D424-K427 PolarHBondContact O-N 3.44Å; D424-K428 WeakPolarHBondContact O-CB 3.5Å; D424-K428 VanDerWaalsContact O-CG 3.31Å; D424-K428 WeakPolarHBondContact O-CG 3.44Å; D424-K428 PolarHBondContact O-N 2.88Å; D424-K428 WeakPolarHBondContact OD1-CE 3.43Å; D424-K428 IonicContact OD1-NZ 2.82Å; D424-K428 PolarHBondContact OD1-NZ 2.87Å; D424-K428 VanDerWaalsContact OD2-CE 3.26Å; D424-K428 WeakPolarHBondContact OD2-CE 3.28Å; D424-K428 IonicContact OD2-NZ 2.71Å; D424-K428 PolarHBondContact OD2-NZ 3.44Å
425L81.7Confident73Confident102 Ų10297.2 Ų97.253%0.53449%0.492SS..Hα-helixtrans-61.3-44.4173.6-78.9169000111.7L421 I422 K428 L429L421-L425 HydrophobicContact CG-CD1 4.26Å; L421-L425 WeakPolarHBondContact O-CB 3.44Å; L421-L425 VanDerWaalsContact O-CG 3.3Å; L421-L425 WeakPolarHBondContact O-CG 3.36Å; L421-L425 PolarHBondContact O-N 3.09Å; I422-L425 PolarHBondContact O-N 2.98Å; L425-K428 PolarHBondContact O-N 2.99Å; L425-L429 WeakPolarHBondContact O-CB 3.47Å; L425-L429 PolarHBondContact O-N 2.8Å
426E84.6Confident73.3Confident86 Ų86100.2 Ų100.240%0.40250%0.5SS..Hα-helixtrans-65.4-38.8173.8-71.2-168.8168.300112.5I422 K428 L429 R430I422-E426 HydrophobicContact CG2-CG 4.46Å; I422-E426 WeakPolarHBondContact O-CG 3.05Å; I422-E426 PolarHBondContact O-N 3.28Å; E426-K428 VanDerWaalsContact C-N 3.34Å; E426-L429 PolarHBondContact O-N 3.49Å; E426-R430 WeakPolarHBondContact O-CB 3.45Å; E426-R430 WeakPolarHBondContact O-CG 3.39Å; E426-R430 PolarHBondContact O-N 3.37Å; E426-R430 IonicContact OE2-CZ 3.1Å; E426-R430 IonicContact OE2-NH1 3.63Å; E426-R430 PolarHBondContact OE2-NH1 3.37Å; E426-R430 IonicContact OE2-NH2 3.26Å; E426-R430 PolarHBondContact OE2-NH2 3.06Å
427K83.8Confident73.3Confident152 Ų152105.8 Ų105.866%0.66151%0.508SS*.Hα-helixtrans-64.3-40.5176.5-174.2175.8-177.5177.20110.9Q423 D424 S431Q423-K427 WeakPolarHBondContact O-CB 3.41Å; Q423-K427 PolarHBondContact O-N 2.87Å; D424-K427 PolarHBondContact O-N 3.44Å; K427-S431 WeakPolarHBondContact O-CB 3.44Å; K427-S431 PolarHBondContact O-N 2.72Å
428K81.4Confident73Confident122 Ų122105.9 Ų105.953%0.5350%0.499SS..Hα-helixtrans-66.1-40.4171.5-74.7166.7177.4167.30111.8D424 L425 E426 S431 K432D424-K428 WeakPolarHBondContact O-CB 3.5Å; D424-K428 VanDerWaalsContact O-CG 3.31Å; D424-K428 WeakPolarHBondContact O-CG 3.44Å; D424-K428 PolarHBondContact O-N 2.88Å; D424-K428 WeakPolarHBondContact OD1-CE 3.43Å; D424-K428 IonicContact OD1-NZ 2.82Å; D424-K428 PolarHBondContact OD1-NZ 2.87Å; D424-K428 VanDerWaalsContact OD2-CE 3.26Å; D424-K428 WeakPolarHBondContact OD2-CE 3.28Å; D424-K428 IonicContact OD2-NZ 2.71Å; D424-K428 PolarHBondContact OD2-NZ 3.44Å; L425-K428 PolarHBondContact O-N 2.99Å; E426-K428 VanDerWaalsContact C-N 3.34Å; K428-S431 PolarHBondContact O-N 3.09Å; K428-K432 VanDerWaalsContact O-CB 3.3Å; K428-K432 WeakPolarHBondContact O-CB 3.31Å; K428-K432 PolarHBondContact O-N 2.7Å
429L78Confident72.3Confident101 Ų101103.8 Ų103.853%0.52950%0.498SS..Hα-helixtrans-64.2-52.6175.4-16475.6000110.8L425 E426 S431 K432 E433L425-L429 WeakPolarHBondContact O-CB 3.47Å; L425-L429 PolarHBondContact O-N 2.8Å; E426-L429 PolarHBondContact O-N 3.49Å; L429-S431 VanDerWaalsContact C-N 3.29Å; L429-S431 PolarHBondContact O-N 3.37Å; L429-K432 CarbonylContact O-C 3.16Å; L429-K432 WeakPolarHBondContact O-CA 3.3Å; L429-K432 WeakPolarHBondContact O-CB 3.44Å; L429-K432 PolarHBondContact O-N 2.79Å; L429-E433 WeakPolarHBondContact O-CB 3.38Å; L429-E433 PolarHBondContact O-N 2.99Å
430R69Low71.6Confident144 Ų144106.1 Ų106.154%0.54351%0.507SS..Hα-helixtrans-54.9-42.1174.9-74.2-175.1-81.8-99.22.2112E426 E433 A434E426-R430 WeakPolarHBondContact O-CB 3.45Å; E426-R430 WeakPolarHBondContact O-CG 3.39Å; E426-R430 PolarHBondContact O-N 3.37Å; E426-R430 IonicContact OE2-CZ 3.1Å; E426-R430 IonicContact OE2-NH1 3.63Å; E426-R430 PolarHBondContact OE2-NH1 3.37Å; E426-R430 IonicContact OE2-NH2 3.26Å; E426-R430 PolarHBondContact OE2-NH2 3.06Å; R430-E433 PolarHBondContact O-N 2.84Å; R430-A434 VanDerWaalsContact O-CB 3.32Å; R430-A434 WeakPolarHBondContact O-CB 3.45Å; R430-A434 PolarHBondContact O-N 2.9Å
431S71.2Confident70.8Confident53 Ų53112.2 Ų112.237%0.37152%0.523SS..Hα-helixtrans-65.1-40.5174-1690000112.8K427 K428 L429 A434 R435K427-S431 WeakPolarHBondContact O-CB 3.44Å; K427-S431 PolarHBondContact O-N 2.72Å; K428-S431 PolarHBondContact O-N 3.09Å; L429-S431 VanDerWaalsContact C-N 3.29Å; L429-S431 PolarHBondContact O-N 3.37Å; S431-A434 PolarHBondContact O-N 2.76Å; S431-R435 WeakPolarHBondContact O-CB 3.17Å; S431-R435 VanDerWaalsContact O-CG 3.26Å; S431-R435 WeakPolarHBondContact O-CG 3.33Å; S431-R435 PolarHBondContact O-N 2.79Å
432K71.8Confident69.8Low151 Ų151108 Ų10866%0.65750%0.501SS*.Hα-helixtrans-67.8-40.6176.3-167.7178-177.7-177.30111.9K428 L429 R435 R436K428-K432 VanDerWaalsContact O-CB 3.3Å; K428-K432 WeakPolarHBondContact O-CB 3.31Å; K428-K432 PolarHBondContact O-N 2.7Å; L429-K432 CarbonylContact O-C 3.16Å; L429-K432 WeakPolarHBondContact O-CA 3.3Å; L429-K432 WeakPolarHBondContact O-CB 3.44Å; L429-K432 PolarHBondContact O-N 2.79Å; K432-R435 PolarHBondContact O-N 3.5Å; K432-R436 WeakPolarHBondContact O-CB 3.5Å; K432-R436 PolarHBondContact O-N 2.72Å
433E68.3Low68.8Low66 Ų66107 Ų10731%0.30850%0.501SS..Hα-helixtrans-63.5-42.2173.5-129.168.6-106.600111.5L429 R430 R436 R437L429-E433 WeakPolarHBondContact O-CB 3.38Å; L429-E433 PolarHBondContact O-N 2.99Å; R430-E433 PolarHBondContact O-N 2.84Å; E433-R436 PolarHBondContact O-N 2.91Å; E433-R436 IonicContact OE1-NE 3.6Å; E433-R437 WeakPolarHBondContact O-CB 3.15Å; E433-R437 WeakPolarHBondContact O-CG 3.44Å; E433-R437 PolarHBondContact O-N 2.64Å
434A63.3Low67.6Low56 Ų56109 Ų10946%0.46350%0.504SS..Hα-helixtrans-64.1-46.4175.200000111.3R430 S431 R436 R437 H438R430-A434 VanDerWaalsContact O-CB 3.32Å; R430-A434 WeakPolarHBondContact O-CB 3.45Å; R430-A434 PolarHBondContact O-N 2.9Å; S431-A434 PolarHBondContact O-N 2.76Å; A434-R436 VanDerWaalsContact C-N 3.3Å; A434-R436 PolarHBondContact O-N 3.29Å; A434-R437 PolarHBondContact O-N 3.06Å; A434-H438 WeakPolarHBondContact O-CB 3.36Å; A434-H438 PolarHBondContact O-N 2.8Å
435R64.9Low66Low183 Ų183113.4 Ų113.469%0.69152%0.523SS*.Hα-helixtrans-59.3-39172.9-71.3170.7-171.7-149.4-1.1112S431 K432 S439S431-R435 WeakPolarHBondContact O-CB 3.17Å; S431-R435 VanDerWaalsContact O-CG 3.26Å; S431-R435 WeakPolarHBondContact O-CG 3.33Å; S431-R435 PolarHBondContact O-N 2.79Å; K432-R435 PolarHBondContact O-N 3.5Å; R435-S439 WeakPolarHBondContact O-CB 3.23Å; R435-S439 PolarHBondContact O-N 3.15Å
436R63Low64.9Low142 Ų142110.5 Ų110.554%0.53651%0.506SS..Hα-helixtrans-69.1-45.6177.5-156.9177.787.298.61111.9K432 E433 A434 S439 Q440K432-R436 WeakPolarHBondContact O-CB 3.5Å; K432-R436 PolarHBondContact O-N 2.72Å; E433-R436 PolarHBondContact O-N 2.91Å; E433-R436 IonicContact OE1-NE 3.6Å; A434-R436 VanDerWaalsContact C-N 3.3Å; A434-R436 PolarHBondContact O-N 3.29Å; R436-S439 PolarHBondContact O-N 2.86Å; R436-Q440 WeakPolarHBondContact O-CB 3.02Å; R436-Q440 VanDerWaalsContact O-CG 3.31Å; R436-Q440 WeakPolarHBondContact O-CG 3.49Å; R436-Q440 PolarHBondContact O-N 2.83Å
437R60.7Low64.1Low161 Ų161111.8 Ų111.861%0.60851%0.507SS*.Hα-helixtrans-62.6-41.5174.8-75.2-175.7176.599.5-2.3112.1E433 A434 Q440 K441E433-R437 WeakPolarHBondContact O-CB 3.15Å; E433-R437 WeakPolarHBondContact O-CG 3.44Å; E433-R437 PolarHBondContact O-N 2.64Å; A434-R437 PolarHBondContact O-N 3.06Å; R437-Q440 PolarHBondContact O-N 3.08Å; R437-K441 WeakPolarHBondContact O-CB 3.46Å; R437-K441 PolarHBondContact O-N 2.9Å
438H56.4Low63Low83 Ų83107.7 Ų107.738%0.38449%0.491SS..Hα-helixtrans-61.3-52173.6-170-1.6000110.3A434 Q440 K441 L442 R450A434-H438 WeakPolarHBondContact O-CB 3.36Å; A434-H438 PolarHBondContact O-N 2.8Å; H438-Q440 VanDerWaalsContact C-N 3.26Å; H438-Q440 PolarHBondContact O-N 2.87Å; H438-K441 CarbonylContact O-C 3.56Å; H438-K441 PolarHBondContact O-N 2.87Å; H438-L442 VanDerWaalsContact CE1-CD2 3.43Å; H438-L442 WeakPolarHBondContact CE1-CD2 3.31Å; H438-L442 WeakPolarHBondContact O-CG 3.34Å; H438-L442 PolarHBondContact O-N 2.72Å; H438-R450 PolarHBondContact CE1-NH1 2.94Å; H438-R450 PolarHBondContact NE2-NH1 3.06Å; H438-R450 PolarHBondContact NE2-NH2 3.03Å
439S53.1Low61.9Low69 Ų69103 Ų10348%0.48348%0.475SS..Hα-helixtrans-58.7-32.6178.3-173.40000113.8R435 R436R435-S439 WeakPolarHBondContact O-CB 3.23Å; R435-S439 PolarHBondContact O-N 3.15Å; R436-S439 PolarHBondContact O-N 2.86Å
440Q57.8Low61.3Low117 Ų117101.4 Ų101.455%0.54746%0.462SS..Hα-helixtrans-79.3-26174.4-71.6-178.8-58.400113.7R436 R437 H438R436-Q440 WeakPolarHBondContact O-CB 3.02Å; R436-Q440 VanDerWaalsContact O-CG 3.31Å; R436-Q440 WeakPolarHBondContact O-CG 3.49Å; R436-Q440 PolarHBondContact O-N 2.83Å; R437-Q440 PolarHBondContact O-N 3.08Å; H438-Q440 VanDerWaalsContact C-N 3.26Å; H438-Q440 PolarHBondContact O-N 2.87Å
441K55Low60.9Low186 Ų186103.7 Ų103.781%0.80947%0.471SS*.Hα-helixtrans-83.5-25.9173.3-80.8-165.1169.4-162.10114.1R437 H438 S443R437-K441 WeakPolarHBondContact O-CB 3.46Å; R437-K441 PolarHBondContact O-N 2.9Å; H438-K441 CarbonylContact O-C 3.56Å; H438-K441 PolarHBondContact O-N 2.87Å; K441-S443 PolarHBondContact O-N 3Å
442L56.8Low60.3Low17 Ų17107 Ų1079%0.08948%0.484CS..SBendtrans-52.3127.7-179.7-72.3176.9000110.7H438 E446 R447H438-L442 VanDerWaalsContact CE1-CD2 3.43Å; H438-L442 WeakPolarHBondContact CE1-CD2 3.31Å; H438-L442 WeakPolarHBondContact O-CG 3.34Å; H438-L442 PolarHBondContact O-N 2.72Å; L442-E446 VanDerWaalsContact CA-OE2 3.23Å; L442-E446 WeakPolarHBondContact CA-OE2 3.48Å; L442-E446 HydrophobicContact CB-CB 4.35Å; L442-E446 HydrophobicContact CD2-CB 4.18Å; L442-E446 HydrophobicContact CD2-CG 3.78Å; L442-E446 WeakPolarHBondContact CD2-OE1 3.27Å; L442-R447 HydrophobicContact CB-CG 3.68Å; L442-R447 HydrophobicContact CD1-CG 3.97Å; L442-R447 HydrophobicContact CG-CG 4.47Å; L442-R447 PolarHBondContact O-NE 3.28Å; L442-R447 PolarHBondContact O-NH2 2.74Å
443S59Low59.8Low61 Ų61102.8 Ų102.843%0.42747%0.468SS..  trans-60.9161.2169.9179.20000111.3K441 E445 E446 R447K441-S443 PolarHBondContact O-N 3Å; S443-E445 PolarHBondContact O-N 2.93Å; S443-E446 PolarHBondContact N-OE2 2.86Å; S443-E446 WeakPolarHBondContact O-CB 3.49Å; S443-E446 PolarHBondContact O-N 3.47Å; S443-R447 VanDerWaalsContact O-CG 3.26Å; S443-R447 WeakPolarHBondContact O-CG 3.32Å; S443-R447 PolarHBondContact O-N 2.8Å
444Y55Low59.2Low179 Ų179100.8 Ų100.870%0.70247%0.466SS*.Hα-helixtrans-55.6-43.4172.5174.4-91.7000111R447 M448Y444-R447 WeakPolarHBondContact O-CB 3.44Å; Y444-R447 PolarHBondContact O-N 2.88Å; Y444-M448 HydrophobicContact CD1-CG 4.39Å; Y444-M448 HydrophobicContact CE1-CG 3.96Å; Y444-M448 PolarHBondContact O-N 2.88Å
445E51.3Low58.6Low151 Ų151102.1 Ų102.171%0.70647%0.469SS*.Hα-helixtrans-62.8-44.6177.4-164.2154.3-138.100111.8S443 R447 M448 A449S443-E445 PolarHBondContact O-N 2.93Å; E445-R447 VanDerWaalsContact C-N 3.33Å; E445-R447 PolarHBondContact O-N 2.77Å; E445-M448 CarbonylContact O-C 3.51Å; E445-M448 WeakPolarHBondContact O-CA 3.44Å; E445-M448 WeakPolarHBondContact O-CB 3.49Å; E445-M448 PolarHBondContact O-N 3.09Å; E445-A449 PolarHBondContact O-N 3.37Å
446E58.3Low58Low41 Ų4199.4 Ų99.419%0.19247%0.468CS..Hα-helixtrans-62.7-36.1175.2-142.5-175.9150.900112.7L442 S443 R450 L462L442-E446 VanDerWaalsContact CA-OE2 3.23Å; L442-E446 WeakPolarHBondContact CA-OE2 3.48Å; L442-E446 HydrophobicContact CB-CB 4.35Å; L442-E446 HydrophobicContact CD2-CB 4.18Å; L442-E446 HydrophobicContact CD2-CG 3.78Å; L442-E446 WeakPolarHBondContact CD2-OE1 3.27Å; S443-E446 PolarHBondContact N-OE2 2.86Å; S443-E446 WeakPolarHBondContact O-CB 3.49Å; S443-E446 PolarHBondContact O-N 3.47Å; E446-R450 WeakPolarHBondContact O-CB 2.87Å; E446-R450 PolarHBondContact O-N 3.04Å; E446-R450 VanDerWaalsContact O-N 3.1Å; E446-L462 HydrophobicContact CG-CD1 3.47Å; E446-L462 VanDerWaalsContact CG-CD1 3.47Å; E446-L462 HydrophobicContact CG-CD2 3.96Å; E446-L462 HydrophobicContact CG-CG 4.37Å
447R67.4Low57.6Low112 Ų11295.7 Ų95.742%0.42346%0.459SS..Hα-helixtrans-71.2-31.7173.3-64.8169-149.7-1795.8112L442 S443 Y444 E445 R451L442-R447 HydrophobicContact CB-CG 3.68Å; L442-R447 HydrophobicContact CD1-CG 3.97Å; L442-R447 HydrophobicContact CG-CG 4.47Å; L442-R447 PolarHBondContact O-NE 3.28Å; L442-R447 PolarHBondContact O-NH2 2.74Å; S443-R447 VanDerWaalsContact O-CG 3.26Å; S443-R447 WeakPolarHBondContact O-CG 3.32Å; S443-R447 PolarHBondContact O-N 2.8Å; Y444-R447 WeakPolarHBondContact O-CB 3.44Å; Y444-R447 PolarHBondContact O-N 2.88Å; E445-R447 VanDerWaalsContact C-N 3.33Å; E445-R447 PolarHBondContact O-N 2.77Å; R447-R451 VanDerWaalsContact O-CB 3.29Å; R447-R451 WeakPolarHBondContact O-CB 3.45Å; R447-R451 PolarHBondContact O-N 2.9Å
448M61.5Low57.4Low66 Ų6688 Ų8833%0.32543%0.431SS..Hα-helixtrans-72.3-49173.8-76.6-67.1-76.800110.9Y444 E445 R450 R451 L452Y444-M448 HydrophobicContact CD1-CG 4.39Å; Y444-M448 HydrophobicContact CE1-CG 3.96Å; Y444-M448 PolarHBondContact O-N 2.88Å; E445-M448 CarbonylContact O-C 3.51Å; E445-M448 WeakPolarHBondContact O-CA 3.44Å; E445-M448 WeakPolarHBondContact O-CB 3.49Å; E445-M448 PolarHBondContact O-N 3.09Å; M448-R450 PolarHBondContact O-N 2.91Å; M448-R451 PolarHBondContact O-N 2.79Å; M448-L452 HydrophobicContact CE-CD1 4.31Å; M448-L452 WeakPolarHBondContact O-CG 3.38Å; M448-L452 PolarHBondContact O-N 2.88Å
449A58.8Low57.2Low23 Ų2386.9 Ų86.919%0.1943%0.429CS..Hα-helixtrans-53.2-50.7175.600000111.8E445 R451 L452 L453 A458E445-A449 PolarHBondContact O-N 3.37Å; A449-R451 VanDerWaalsContact C-N 3.26Å; A449-R451 PolarHBondContact O-N 3.45Å; A449-L452 PolarHBondContact O-N 3.02Å; A449-L453 WeakPolarHBondContact O-CB 3.32Å; A449-L453 PolarHBondContact O-N 3.05Å; A449-A458 HydrophobicContact CB-CB 4.21Å
450R64.2Low57.2Low69 Ų6992.4 Ų92.426%0.2644%0.441SS..Hα-helixtrans-65.4-23.4177.4-76.2-179.1173.4-164.31.6114.7H438 E446 M448 G454 A458H438-R450 PolarHBondContact CE1-NH1 2.94Å; H438-R450 PolarHBondContact NE2-NH1 3.06Å; H438-R450 PolarHBondContact NE2-NH2 3.03Å; E446-R450 WeakPolarHBondContact O-CB 2.87Å; E446-R450 PolarHBondContact O-N 3.04Å; E446-R450 VanDerWaalsContact O-N 3.1Å; M448-R450 PolarHBondContact O-N 2.91Å; R450-G454 PolarHBondContact O-N 3.05Å; R450-A458 HydrophobicContact CB-CB 4.3Å; R450-A458 HydrophobicContact CG-CB 3.39Å
451R60Low56.7Low192 Ų19292.5 Ų92.573%0.72544%0.443SS*.Hα-helixtrans-84.4-28.9176.8-172.3-177.8-66.1164.1-1.7112.6R447 M448 A449R447-R451 VanDerWaalsContact O-CB 3.29Å; R447-R451 WeakPolarHBondContact O-CB 3.45Å; R447-R451 PolarHBondContact O-N 2.9Å; M448-R451 PolarHBondContact O-N 2.79Å; A449-R451 VanDerWaalsContact C-N 3.26Å; A449-R451 PolarHBondContact O-N 3.45Å
452L59.2Low56.6Low121 Ų12186.9 Ų86.963%0.63442%0.421SS*.Hα-helixtrans-93.6-35-178.1-65.7173000113.3M448 A449M448-L452 HydrophobicContact CE-CD1 4.31Å; M448-L452 WeakPolarHBondContact O-CG 3.38Å; M448-L452 PolarHBondContact O-N 2.88Å; A449-L452 PolarHBondContact O-N 3.02Å
453L62.6Low56.1Low63 Ų6391.5 Ų91.533%0.3345%0.446SS..SBendtrans-112-9.2-172-57.4175.7000114.1A449 N457A449-L453 WeakPolarHBondContact O-CB 3.32Å; A449-L453 PolarHBondContact O-N 3.05Å; L453-N457 HydrophobicContact CB-CB 4.16Å; L453-N457 WeakPolarHBondContact O-CB 3.48Å; L453-N457 PolarHBondContact O-ND2 3.04Å
454G54.1Low55.4Low25 Ų2595.9 Ų95.926%0.25846%0.46SS..  trans86170.8-172.600000113.6R450 A458R450-G454 PolarHBondContact O-N 3.05Å; G454-A458 WeakPolarHBondContact O-CB 3.38Å; G454-A458 PolarHBondContact O-N 2.81Å
455P51.6Low54.7Low83 Ų8394 Ų9454%0.53946%0.462SS..THydrogen-bonded Turntrans-70.6-39.8-171.927.5-33.9000113.4T459P455-T459 PolarHBondContact O-OG1 2.89Å
456D52.2Low53.9Low126 Ų12694 Ų9467%0.67447%0.466SS*.THydrogen-bonded Turntrans-77-44.2-170.6-50.7-49.5000111.1A458 T459D456-A458 PolarHBondContact O-N 3.31Å; D456-T459 PolarHBondContact O-N 2.91Å
457N54.2Low53Low65 Ų6599.7 Ų99.735%0.34850%0.498SS..G310 helixtrans-64-38.7176.8-72.9-28.6000113.2L453 T459 Y460 E563L453-N457 HydrophobicContact CB-CB 4.16Å; L453-N457 WeakPolarHBondContact O-CB 3.48Å; L453-N457 PolarHBondContact O-ND2 3.04Å; N457-T459 PolarHBondContact O-N 2.94Å; N457-Y460 PolarHBondContact O-N 2.9Å; N457-E563 PolarHBondContact ND2-OE1 2.95Å
458A55.9Low51.4Low0 Ų099.5 Ų99.50%051%0.514CS..G310 helixtrans-67.3-16.3-175.700000114A449 R450 G454 D456 L462A449-A458 HydrophobicContact CB-CB 4.21Å; R450-A458 HydrophobicContact CB-CB 4.3Å; R450-A458 HydrophobicContact CG-CB 3.39Å; G454-A458 WeakPolarHBondContact O-CB 3.38Å; G454-A458 PolarHBondContact O-N 2.81Å; D456-A458 PolarHBondContact O-N 3.31Å; A458-L462 WeakPolarHBondContact O-CD1 3.48Å
459T52.6Low50.2Low58 Ų58103.7 Ų103.736%0.35654%0.537SS..G310 helixtrans-70.6-39.9177.2-52.20000111P455 D456 N457 M461 L462P455-T459 PolarHBondContact O-OG1 2.89Å; D456-T459 PolarHBondContact O-N 2.91Å; N457-T459 PolarHBondContact O-N 2.94Å; T459-M461 PolarHBondContact O-N 2.88Å; T459-L462 PolarHBondContact O-N 3.28Å
460Y53.1Low49Very low186 Ų186110.6 Ų110.673%0.72957%0.57SS**G310 helixtrans-64.9-12.1179.7-69.7-83000115.1N457N457-Y460 PolarHBondContact O-N 2.9Å
461M47.9Very low47.4Very low118 Ų118116 Ų11658%0.58160%0.598SS**G310 helixtrans-88.6-9.1175.6-78.6-120.660.700113.8T459T459-M461 PolarHBondContact O-N 2.88Å
462L53Low46Very low68 Ų68115.1 Ų115.136%0.35661%0.607SS.*THydrogen-bonded Turntrans-113.1-17-168.5-60.2164.8000113.3E446 A458 T459 Q464E446-L462 HydrophobicContact CG-CD1 3.47Å; E446-L462 VanDerWaalsContact CG-CD1 3.47Å; E446-L462 HydrophobicContact CG-CD2 3.96Å; E446-L462 HydrophobicContact CG-CG 4.37Å; A458-L462 WeakPolarHBondContact O-CD1 3.48Å; T459-L462 PolarHBondContact O-N 3.28Å; L462-Q464 PolarHBondContact O-N 3.32Å
463D45.4Very low44.5Very low115 Ų115115.9 Ų115.962%0.61561%0.612SS**THydrogen-bonded Turntrans-82.25.9177.8-67.4-40.7000113.4
464Q45.7Very low42.9Very low152 Ų152120.7 Ų120.771%0.7163%0.632SS**THydrogen-bonded Turntrans-87-23.3179.2-65.8-160.9-11.300114.3L462 N466L462-Q464 PolarHBondContact O-N 3.32Å; Q464-N466 VanDerWaalsContact C-N 3.29Å; Q464-N466 PolarHBondContact O-N 3.5Å
465D39.6Very low41.7Very low141 Ų141125 Ų12575%0.75466%0.659SS**SBendtrans-82.62.1-175.5-69.7-30.5000114.4
466N34.8Very low40.6Very low149 Ų149129 Ų12980%0.79768%0.676SS**SBendtrans-117.239.6-171.9-16124.2000113.3Q464Q464-N466 VanDerWaalsContact C-N 3.29Å; Q464-N466 PolarHBondContact O-N 3.5Å
467L39.3Very low39.6Very low162 Ų162128.1 Ų128.185%0.84868%0.679SS**SBendtrans-136.123.2-177.6-110170.7000113.9
468S34.2Very low39Very low108 Ų108130.5 Ų130.576%0.75570%0.698SS**SBendtrans-126.317.5-173.150.90000114.7
469D36Very low37.8Very low154 Ų154139.7 Ų139.782%0.82474%0.741SS**  trans-141.672.2-178-152.25.5000112.7
470L32.9Very low36.7Very low168 Ų168140.6 Ų140.688%0.8876%0.762SS**  trans-162.668.5168-122.5178.6000113.8
471Q31.7Very low35.7Very low181 Ų181144 Ų14485%0.84677%0.774SS**  trans-147.7145.4167.7-146.685.856.500110.7
472L30.3Very low35.1Very low174 Ų174150 Ų15091%0.91179%0.79SS**  trans78106.9-167.4-50.8170.1000112.2
473D27.8Very low34.2Very low138 Ų138153.6 Ų153.674%0.73882%0.815SS**  -149.9177.879.3-172.727.7000113.3
474Q28.4Very low33.6Very low163 Ų163151.7 Ų151.776%0.76282%0.823SS**  trans78.282.1163.4-48.6-162.4-1.900117.4
475S28.8Very low32.9Very low117 Ų117147.9 Ų147.982%0.81882%0.824SS**  trans-56.8138.813953.80000111.5
476D28.9Very low32.6Very low166 Ų166148.1 Ų148.189%0.88883%0.825SS**  trans-150.7151.9137.3-139.5-18.8000111.1
477S31.2Very low32.5Very low107 Ų107152.4 Ų152.475%0.74883%0.83SS**  trans-157.2125-177.3-170.50000113
478P41.1Very low32.2Very low115 Ų115148 Ų14875%0.74782%0.824SS**  trans-118.5124.9161.117.33000113.3
479E30.9Very low32.1Very low193 Ų193153.2 Ų153.290%0.90283%0.827SS**  trans36.6107.3135.9-52.5-165134.700119.8
480G29Very low32.2Very low77 Ų77153.1 Ų153.179%0.79482%0.821SS**  trans-87.8-172171.800000115.2
481R32.8Very low32.4Very low258 Ų258154.5 Ų154.597%0.97482%0.823SS**  trans-146.1159.5165.4-93.7-176-175.9-154.8-0.1111.9
482R35.5Very low32.6Very low243 Ų243151.8 Ų151.892%0.91782%0.824SS**  trans-99.8124.2176.6-67.1177.4174.3-179.9-2.1111.9
483T33.6Very low32.9Very low145 Ų145146.8 Ų146.889%0.8982%0.815SS**  trans-159.3150.7150.939.80000108
484G32.3Very low33.8Very low75 Ų75146.4 Ų146.477%0.77382%0.817SS**  cis120.395.3-4.600000112.8
485G31.6Very low34.5Very low72 Ų72145.9 Ų145.974%0.74282%0.82SS**  trans93.6130.4-170.200000111
486L33.7Very low35.1Very low146 Ų146147.6 Ų147.676%0.76482%0.815SS**  cis82.9140.832.6-153.977.3000113.6
487W33.7Very low35.6Very low238 Ų238149.6 Ų149.690%0.90281%0.81SS**  trans72.5131.4-172.9-41100.6000115.1
488G32.9Very low36.1Very low71 Ų71149.4 Ų149.473%0.73280%0.804SS**  cis177.6155.5-10.600000115.3
489R32Very low36.4Very low216 Ų216151.3 Ų151.382%0.81581%0.808SS**  trans47.8125.6157.9-86.8-174.5167.1-143.1-4122.2
490H36.2Very low37.2Very low152 Ų152149.2 Ų149.270%0.70480%0.798SS**  trans68.797137.6-58.2-36000120.2
491H39.1Very low38Very low198 Ų198148.6 Ų148.692%0.91779%0.792SS**  -125.5131.5116.9-80-76.4000109.4
492S35.8Very low38.6Very low123 Ų123140.5 Ų140.586%0.8678%0.775SS**  trans-90111.3174.351.30000109.4
493G35.6Very low39.3Very low70 Ų70133.1 Ų133.172%0.72277%0.766SS**  trans-140.6138.3172.200000108.5D495G493-D495 PolarHBondContact O-N 2.92Å
494T47.7Very low40.4Very low130 Ų130133.8 Ų133.880%0.79876%0.763SS**  trans-56.6130.3179.446.20000111.5
495D41.7Very low41.5Very low152 Ų152139 Ų13981%0.81377%0.767SS**  -174.4107.3109.3-83-13.1000109.6G493G493-D495 PolarHBondContact O-N 2.92Å
496E41.8Very low43.2Very low153 Ų153141.9 Ų141.972%0.71576%0.761SS**  trans-80.5135.7165.8-79.8-15896.400109.7
497R39.8Very low45.4Very low207 Ų207143.6 Ų143.678%0.78176%0.762SS**  trans56.7128.1149.1-65167.3166.7132.12.5117.1
498T41.2Very low48Very low103 Ų103134.6 Ų134.663%0.63274%0.735SS**  cis-143.315822.1-60000112E500T498-E500 PolarHBondContact O-N 3.16Å; T498-E500 PolarHBondContact OG1-OE1 3.18Å
499N48.6Very low50.9Low155 Ų155135.3 Ų135.383%0.82972%0.718SS**  trans-69.578.4161.9175.523.5000109.6G501N499-G501 PolarHBondContact O-N 3.05Å; N499-G501 PolarHBondContact OD1-N 2.88Å
500E46.9Very low53.9Low149 Ų149127 Ų12770%0.69670%0.696SS**  trans-90.157.3168.3-76.2179.3-128.200110.6T498 S502T498-E500 PolarHBondContact O-N 3.16Å; T498-E500 PolarHBondContact OG1-OE1 3.18Å; E500-S502 PolarHBondContact O-N 3.1Å
501G46.6Very low56.8Low64 Ų64120.1 Ų120.166%0.6667%0.665SS**  trans-62.464.8146.500000110N499 A503N499-G501 PolarHBondContact O-N 3.05Å; N499-G501 PolarHBondContact OD1-N 2.88Å; G501-A503 PolarHBondContact O-N 3.48Å
502S44.6Very low59.4Low88 Ų88119 Ų11962%0.61565%0.653SS**  trans-59.4100.3171.8-89.20000107.6E500 I504E500-S502 PolarHBondContact O-N 3.1Å; S502-I504 PolarHBondContact O-N 2.96Å
503A50.3Low62.3Low89 Ų89114.3 Ų114.374%0.73662%0.617SS**  trans-55.4109.3167.400000106.9G501 Q505G501-A503 PolarHBondContact O-N 3.48Å; A503-Q505 VanDerWaalsContact C-N 3.27Å; A503-Q505 PolarHBondContact O-N 3.41Å
504I55.9Low65.1Low158 Ų158115.5 Ų115.581%0.8161%0.606SS**  trans-61.199.1174.4-62.7174.3000105.3S502 E506S502-I504 PolarHBondContact O-N 2.96Å; I504-E506 PolarHBondContact O-N 2.91Å
505Q56.3Low67.3Low186 Ų186114.1 Ų114.187%0.86959%0.59SS**  trans-74.884.9-170.3-165.1175.440.800107.7A503 K507A503-Q505 VanDerWaalsContact C-N 3.27Å; A503-Q505 PolarHBondContact O-N 3.41Å; Q505-K507 PolarHBondContact O-N 2.85Å; Q505-K507 VanDerWaalsContact O-N 3.08Å
506E66.6Low69.9Low132 Ų132111.3 Ų111.362%0.61757%0.574SS**  trans-45.5119.5-175.9-68.5-168.7129.100109.3I504 C508 R589I504-E506 PolarHBondContact O-N 2.91Å; E506-C508 PolarHBondContact O-N 3.4Å; E506-C508 PolarHBondContact O-SG 3.12Å; E506-R589 IonicContact OE2-CZ 2.62Å; E506-R589 IonicContact OE2-NH1 3.45Å; E506-R589 IonicContact OE2-NH2 3.45Å; E506-R589 PolarHBondContact OE2-NH2 3.22Å
507K80Confident72.4Confident181 Ų181104.7 Ų104.779%0.78755%0.545SS*.  trans-72.178-170-171.3179178.1176.50111Q505Q505-K507 PolarHBondContact O-N 2.85Å; Q505-K507 VanDerWaalsContact O-N 3.08Å
508C88.3Confident75.1Confident49 Ų4999.4 Ų99.433%0.33154%0.537SS..  trans-71.4144.8178-56.70000110.2E506 L537 R589 A590E506-C508 PolarHBondContact O-N 3.4Å; E506-C508 PolarHBondContact O-SG 3.12Å; C508-L537 CarbonylContact C-O 3.58Å; C508-L537 WeakPolarHBondContact CA-O 3.41Å; C508-L537 WeakPolarHBondContact CB-O 3.45Å; C508-R589 PolarHBondContact SG-NE 3.29Å; C508-R589 PolarHBondContact SG-NH2 3.31Å; C508-A590 HydrophobicContact CB-CB 3.93Å
509F93.4Very high77.7Confident86 Ų8699.6 Ų99.638%0.37753%0.534SS..EExtended strand (participates in β ladder)trans-148.8145.4169.660.8-95.4000110.8G536 L537 N588F509-G536 VanDerWaalsContact CE2-CA 3.44Å; F509-L537 HydrophobicContact CD1-CB 3.91Å; F509-L537 HydrophobicContact CD1-CD1 4.17Å; F509-L537 HydrophobicContact CD1-CG 4.11Å; F509-L537 HydrophobicContact CE1-CB 3.84Å; F509-L537 HydrophobicContact CE1-CD1 3.58Å; F509-L537 HydrophobicContact CE1-CG 3.51Å; F509-L537 HydrophobicContact CZ-CB 4.44Å; F509-L537 HydrophobicContact CZ-CD1 4.42Å; F509-L537 HydrophobicContact CZ-CG 3.99Å; F509-L537 PolarHBondContact N-O 3.32Å; F509-L537 PolarHBondContact O-N 2.8Å; F509-L537 VanDerWaalsContact O-N 3.13Å; F509-N588 PolarHBondContact O-ND2 3.37Å
510A94.9Very high80Confident42 Ų4294.4 Ų94.435%0.34751%0.506SS..EExtended strand (participates in β ladder)trans-60.5153.8-17800000112.1R512A510-R512 PolarHBondContact O-N 2.79Å
511P96.6Very high82.2Confident8 Ų891.7 Ų91.75%0.05250%0.5CS..EExtended strand (participates in β ladder)trans-66130-178-2136.7000111.4V534 S535 P540 A586 N588 G591P511-V534 HydrophobicContact CB-CG2 4.21Å; P511-S535 CarbonylContact C-O 3.57Å; P511-S535 VanDerWaalsContact CA-O 3.32Å; P511-S535 WeakPolarHBondContact CA-O 3.41Å; P511-P540 HydrophobicContact CB-CB 3.94Å; P511-P540 HydrophobicContact CB-CG 4.4Å; P511-P540 HydrophobicContact CG-CB 3.83Å; P511-A586 HydrophobicContact CB-CB 3.77Å; P511-A586 WeakPolarHBondContact CG-O 3.36Å; P511-N588 WeakPolarHBondContact CD-OD1 2.91Å; P511-N588 HydrophobicContact CG-CB 4.14Å; P511-G591 WeakPolarHBondContact CD-O 3.47Å
512R94.9Very high84.5Confident175 Ų17589.8 Ų89.866%0.6648%0.476SS*.EExtended strand (participates in β ladder)trans-128.1122.7177.7178.5174.4177164.61.3110.1A510 L514 V534 S535A510-R512 PolarHBondContact O-N 2.79Å; R512-L514 HydrophobicContact CG-CD2 4.27Å; R512-L514 PolarHBondContact O-N 3.38Å; R512-V534 WeakPolarHBondContact O-CA 3.35Å; R512-S535 PolarHBondContact N-O 3.34Å; R512-S535 PolarHBondContact O-N 3.1Å
513F95.7Very high86.7Confident23 Ų2389.9 Ų89.910%0.10147%0.467CS..EExtended strand (participates in β ladder)trans-68.7128.9168-65.7-73.1000110.2I516 F532 K533 V534 A586 F595F513-I516 HydrophobicContact CB-CD1 4.14Å; F513-I516 HydrophobicContact CB-CG1 3.79Å; F513-I516 HydrophobicContact CG-CG1 4.48Å; F513-F532 HydrophobicContact CD1-CD2 4.12Å; F513-F532 AromaticContact CE1-CD2 3.71Å; F513-F532 HydrophobicContact CE1-CD2 3.71Å; F513-F532 AromaticContact CE1-CE2 3.97Å; F513-F532 HydrophobicContact CE1-CE2 3.97Å; F513-K533 CarbonylContact C-O 3.6Å; F513-K533 WeakPolarHBondContact CA-O 3.47Å; F513-V534 HydrophobicContact CD1-CB 3.72Å; F513-V534 HydrophobicContact CD1-CG2 3.94Å; F513-V534 HydrophobicContact CE1-CB 3.78Å; F513-V534 HydrophobicContact CE1-CG2 3.93Å; F513-V534 HydrophobicContact CG-CG2 4.43Å; F513-V534 HydrophobicContact CZ-CG2 4.42Å; F513-A586 HydrophobicContact CE1-CB 4.23Å; F513-A586 HydrophobicContact CE2-CB 4.07Å; F513-A586 HydrophobicContact CZ-CB 3.55Å; F513-F595 AromaticContact CD1-CD1 3.62Å; F513-F595 HydrophobicContact CD1-CD1 3.62Å; F513-F595 AromaticContact CD1-CE1 3.75Å; F513-F595 HydrophobicContact CD1-CE1 3.75Å; F513-F595 HydrophobicContact CD2-CB 4.44Å; F513-F595 AromaticContact CD2-CD1 3.75Å; F513-F595 HydrophobicContact CD2-CD1 3.75Å; F513-F595 AromaticContact CE1-CD1 3.6Å; F513-F595 HydrophobicContact CE1-CD1 3.6Å; F513-F595 AromaticContact CE1-CE1 3.52Å; F513-F595 HydrophobicContact CE1-CE1 3.52Å; F513-F595 AromaticContact CE2-CD1 3.7Å; F513-F595 HydrophobicContact CE2-CD1 3.7Å; F513-F595 HydrophobicContact CE2-CE1 4.42Å; F513-F595 AromaticContact CG-CD1 3.71Å; F513-F595 HydrophobicContact CG-CD1 3.71Å; F513-F595 HydrophobicContact CG-CE1 4.31Å; F513-F595 AromaticContact CZ-CD1 3.63Å; F513-F595 HydrophobicContact CZ-CD1 3.63Å; F513-F595 AromaticContact CZ-CE1 3.88Å; F513-F595 HydrophobicContact CZ-CE1 3.88Å
514L95.3Very high88.7Confident95 Ų9588 Ų8850%0.49744%0.442SS..EExtended strand (participates in β ladder)trans-104.2-25.2179.1-59.1-178.9000111.7R512 K533R512-L514 HydrophobicContact CG-CD2 4.27Å; R512-L514 PolarHBondContact O-N 3.38Å; L514-K533 HydrophobicContact CB-CB 4.31Å; L514-K533 HydrophobicContact CB-CD 4.28Å; L514-K533 HydrophobicContact CB-CG 4.27Å; L514-K533 HydrophobicContact CD1-CD 4.34Å; L514-K533 PolarHBondContact N-O 2.86Å
515Q94.8Very high90.2Very high101 Ų10182.8 Ų82.847%0.47243%0.427SS..EExtended strand (participates in β ladder)trans-141.9121.4173.3-178.4178.1-20.300107.5K533Q515-K533 HydrophobicContact CB-CB 3.64Å; Q515-K533 PolarHBondContact N-O 2.88Å; Q515-K533 PolarHBondContact O-N 2.85Å
516I95.4Very high91.8Very high93 Ų9380.7 Ų80.748%0.47741%0.412SS..  trans-110129.4176.4-65.1169.8000106.7F513 F595F513-I516 HydrophobicContact CB-CD1 4.14Å; F513-I516 HydrophobicContact CB-CG1 3.79Å; F513-I516 HydrophobicContact CG-CG1 4.48Å; I516-F595 HydrophobicContact CD1-CB 3.81Å; I516-F595 HydrophobicContact CG1-CB 3.99Å; I516-F595 HydrophobicContact CG1-CD1 4.25Å; I516-F595 HydrophobicContact CG1-CG 4.14Å; I516-F595 HydrophobicContact CG2-CB 3.94Å; I516-F595 HydrophobicContact CG2-CD2 3.71Å; I516-F595 HydrophobicContact CG2-CE2 4.32Å; I516-F595 HydrophobicContact CG2-CG 3.85Å
517P94.7Very high92.9Very high14 Ų1481.5 Ų81.59%0.09141%0.413CS..PPolyproline II helixtrans-69.5145.9175.727.8-33.8000110.9I530 F532 F595 M597P517-I530 HydrophobicContact CB-CG2 4.16Å; P517-I530 HydrophobicContact CG-CG2 3.59Å; P517-F532 HydrophobicContact CG-CB 4.41Å; P517-F595 HydrophobicContact CG-CE2 3.82Å; P517-F595 HydrophobicContact CG-CZ 4.01Å; P517-M597 HydrophobicContact CB-CE 3.93Å; P517-M597 HydrophobicContact CG-CE 3.81Å
518P95.8Very high93.6Very high97 Ų9773.1 Ų73.163%0.6338%0.377SS*.PPolyproline II helixtrans-71.8167.9171.334.5-36.7000111M597P518-M597 VanDerWaalsContact O-CE 3.26Å; P518-M597 WeakPolarHBondContact O-CE 3.42Å
519D96.5Very high93.9Very high106 Ų10676.5 Ų76.557%0.56738%0.383SS*.PPolyproline II helixtrans-54.4145.6168.3-60.6-24.3000111.2M597 R598D519-M597 WeakPolarHBondContact OD1-CA 3.45Å; D519-R598 CarbonylContact C-O 3.47Å; D519-R598 WeakPolarHBondContact CA-O 3.31Å; D519-R598 HydrophobicContact CB-CB 4.2Å; D519-R598 PolarHBondContact OD1-N 2.9Å
520L95.6Very high94Very high46 Ų4672.4 Ų72.424%0.24137%0.365CS..EExtended strand (participates in β ladder)trans-124.1150.8-173.6-64.4179000111.9I530 M597 R598 L599 D600L520-I530 HydrophobicContact CD1-CG1 3.97Å; L520-M597 HydrophobicContact CD1-CE 3.97Å; L520-M597 HydrophobicContact CG-CE 4.01Å; L520-R598 PolarHBondContact N-O 3.32Å; L520-L599 HydrophobicContact CB-CD1 3.9Å; L520-L599 WeakPolarHBondContact O-CA 3.42Å; L520-D600 PolarHBondContact O-N 3.03Å
521T95.1Very high94Very high93 Ų9372.8 Ų72.857%0.57136%0.362SS*.EExtended strand (participates in β ladder)trans-128.5126.3170.7-49.60000108.8D600 I602T521-D600 CarbonylContact C-O 3.58Å; T521-D600 VanDerWaalsContact CA-O 3.29Å; T521-D600 WeakPolarHBondContact CA-O 3.29Å; T521-D600 HydrophobicContact CG2-CB 4.13Å; T521-I602 HydrophobicContact CG2-CD1 3.7Å; T521-I602 HydrophobicContact CG2-CG1 3.74Å
522V93.4Very high93.9Very high24 Ų2472.6 Ų72.615%0.14536%0.36CS..EExtended strand (participates in β ladder)trans-135.9141-171.4-174.20000110.4R526 C528 V574 L599 D600 V601 I602V522-R526 HydrophobicContact CG1-CB 3.94Å; V522-C528 HydrophobicContact CG2-CB 4.41Å; V522-V574 HydrophobicContact CG1-CB 4.46Å; V522-V574 HydrophobicContact CG1-CG1 4.43Å; V522-V574 HydrophobicContact CG1-CG2 4.09Å; V522-L599 HydrophobicContact CB-CD1 4.29Å; V522-L599 HydrophobicContact CG2-CD1 3.74Å; V522-D600 PolarHBondContact N-O 2.86Å; V522-V601 CarbonylContact O-C 3.53Å; V522-V601 WeakPolarHBondContact O-CA 3.38Å; V522-I602 PolarHBondContact O-N 3Å
523E91.2Very high94Very high90 Ų9067.4 Ų67.442%0.42134%0.342SS..EExtended strand (participates in β ladder)trans-71.5141.9172.4-60.3169.7166.500110.8R526E523-R526 HydrophobicContact CB-CG 3.74Å; E523-R526 WeakPolarHBondContact O-CB 3.48Å; E523-R526 WeakPolarHBondContact O-CG 3.48Å; E523-R526 PolarHBondContact O-N 3.49Å; E523-R526 IonicContact OE2-CZ 3.17Å; E523-R526 IonicContact OE2-NE 2.72Å; E523-R526 PolarHBondContact OE2-NE 3.26Å; E523-R526 IonicContact OE2-NH2 3.63Å; E523-R526 PolarHBondContact OE2-NH2 2.89Å
524E91.8Very high94Very high49 Ų4966.4 Ų66.423%0.22934%0.338CS..THydrogen-bonded Turntrans-56.6144.9169.4178.7154.9-122.200111.8R526 T575 V576 V601 I602 Q604E524-R526 VanDerWaalsContact C-N 3.26Å; E524-R526 PolarHBondContact O-N 3.5Å; E524-T575 VanDerWaalsContact OE1-CA 3.24Å; E524-T575 WeakPolarHBondContact OE1-CA 3.38Å; E524-V576 PolarHBondContact OE1-N 2.87Å; E524-V601 HydrophobicContact CB-CG1 4.1Å; E524-I602 PolarHBondContact N-O 2.92Å; E524-Q604 HydrophobicContact CB-CB 4.3Å
525G87Confident93.9Very high48 Ų4863.6 Ų63.650%0.49533%0.326SS..THydrogen-bonded Turntrans79.1-4.3-175.800000115.3V574G525-V574 PolarHBondContact N-O 2.96Å
526R90.4Very high93.7Very high143 Ų14359.3 Ų59.354%0.5431%0.309SS..SBendtrans-86.8167.2172.1-56.1-60.8-168.3165.25.6111.8V522 E523 E524 V574V522-R526 HydrophobicContact CG1-CB 3.94Å; E523-R526 HydrophobicContact CB-CG 3.74Å; E523-R526 WeakPolarHBondContact O-CB 3.48Å; E523-R526 WeakPolarHBondContact O-CG 3.48Å; E523-R526 PolarHBondContact O-N 3.49Å; E523-R526 IonicContact OE2-CZ 3.17Å; E523-R526 IonicContact OE2-NE 2.72Å; E523-R526 PolarHBondContact OE2-NE 3.26Å; E523-R526 IonicContact OE2-NH2 3.63Å; E523-R526 PolarHBondContact OE2-NH2 2.89Å; E524-R526 VanDerWaalsContact C-N 3.26Å; E524-R526 PolarHBondContact O-N 3.5Å; R526-V574 WeakPolarHBondContact O-CB 3.31Å; R526-V574 WeakPolarHBondContact O-CG2 3.37Å; R526-V574 PolarHBondContact O-N 3.28Å
527F90.9Very high93.5Very high148 Ų14859.1 Ų59.165%0.64931%0.309SS*.  trans-84.9146.816371.9-87.9000110.3I571 E572F527-I571 CarbonylContact C-O 3.46Å; F527-I571 VanDerWaalsContact CA-O 3.31Å; F527-I571 WeakPolarHBondContact CA-O 3.35Å; F527-E572 WeakPolarHBondContact CA-O 3.36Å; F527-E572 WeakPolarHBondContact CB-O 3.32Å
528C94.6Very high93.4Very high5 Ų560.8 Ų60.83%0.03432%0.319CS..EExtended strand (participates in β ladder)trans-111.9143.6167.6-174.70000109.7V522 I570 I571 V574V522-C528 HydrophobicContact CG2-CB 4.41Å; C528-I570 WeakPolarHBondContact O-CA 3.23Å; C528-I571 HydrophobicContact CB-CB 4.14Å; C528-I571 HydrophobicContact CB-CD1 4.32Å; C528-I571 HydrophobicContact CB-CG1 4.41Å; C528-I571 PolarHBondContact N-O 3.3Å; C528-I571 PolarHBondContact O-N 3.37Å; C528-V574 HydrophobicContact CB-CG2 3.59Å
529R94.8Very high93.1Very high120 Ų12060.2 Ų60.245%0.45332%0.323SS..EExtended strand (participates in β ladder)trans-133.2122.7172.8175.6174.3174.5163.63.8109.5D531 S568 I570R529-D531 IonicContact CZ-OD1 2.74Å; R529-D531 IonicContact CZ-OD2 2.63Å; R529-D531 VanDerWaalsContact NE-CG 3.25Å; R529-D531 IonicContact NE-OD1 2.67Å; R529-D531 PolarHBondContact NE-OD1 3.39Å; R529-D531 IonicContact NE-OD2 3.33Å; R529-D531 PolarHBondContact NE-OD2 2.88Å; R529-D531 IonicContact NH2-OD1 3.66Å; R529-D531 PolarHBondContact NH2-OD1 2.88Å; R529-D531 IonicContact NH2-OD2 3.86Å; R529-D531 PolarHBondContact NH2-OD2 3.16Å; R529-S568 PolarHBondContact NE-OG 2.72Å; R529-S568 PolarHBondContact NH2-OG 2.69Å; R529-I570 HydrophobicContact CB-CG1 4.34Å; R529-I570 HydrophobicContact CG-CG1 4.11Å
530I95.3Very high93Very high0 Ų056.2 Ų56.20%030%0.302CS..EExtended strand (participates in β ladder)trans-112.3104.2-177.4-55.9-175.8000108P517 L520 W544 S568 F569 M597P517-I530 HydrophobicContact CB-CG2 4.16Å; P517-I530 HydrophobicContact CG-CG2 3.59Å; L520-I530 HydrophobicContact CD1-CG1 3.97Å; I530-W544 HydrophobicContact CG2-CH2 3.67Å; I530-W544 HydrophobicContact CG2-CZ2 4.27Å; I530-S568 WeakPolarHBondContact O-CA 3.11Å; I530-F569 HydrophobicContact CB-CB 4.33Å; I530-F569 HydrophobicContact CB-CD1 4.44Å; I530-F569 HydrophobicContact CD1-CD1 3.98Å; I530-F569 HydrophobicContact CD1-CE1 4.44Å; I530-F569 HydrophobicContact CG1-CD1 4.38Å; I530-F569 PolarHBondContact N-O 3.39Å; I530-F569 PolarHBondContact O-N 3.07Å; I530-M597 HydrophobicContact CD1-CE 4.1Å; I530-M597 HydrophobicContact CD1-SD 3.92Å; I530-M597 HydrophobicContact CG1-CE 4.34Å; I530-M597 HydrophobicContact CG2-CE 3.71Å
531D94.7Very high92.8Very high51 Ų5159.5 Ų59.527%0.27332%0.32SS..EExtended strand (participates in β ladder)trans-100.9122.8-174.1-85-11.4000111.5R529 M566 S568R529-D531 IonicContact CZ-OD1 2.74Å; R529-D531 IonicContact CZ-OD2 2.63Å; R529-D531 VanDerWaalsContact NE-CG 3.25Å; R529-D531 IonicContact NE-OD1 2.67Å; R529-D531 PolarHBondContact NE-OD1 3.39Å; R529-D531 IonicContact NE-OD2 3.33Å; R529-D531 PolarHBondContact NE-OD2 2.88Å; R529-D531 IonicContact NH2-OD1 3.66Å; R529-D531 PolarHBondContact NH2-OD1 2.88Å; R529-D531 IonicContact NH2-OD2 3.86Å; R529-D531 PolarHBondContact NH2-OD2 3.16Å; D531-M566 HydrophobicContact CB-CE 3.64Å; D531-S568 VanDerWaalsContact OD1-CB 3.25Å; D531-S568 WeakPolarHBondContact OD1-CB 3.36Å; D531-S568 PolarHBondContact OD1-OG 2.83Å
532F95.3Very high92.8Very high3 Ų355.7 Ų55.71%0.01330%0.296CS..EExtended strand (participates in β ladder)trans-141.9159.7-174.866.6-78.3000111.6F513 P517 I542 W544 H567 F569 F595F513-F532 HydrophobicContact CD1-CD2 4.12Å; F513-F532 AromaticContact CE1-CD2 3.71Å; F513-F532 HydrophobicContact CE1-CD2 3.71Å; F513-F532 AromaticContact CE1-CE2 3.97Å; F513-F532 HydrophobicContact CE1-CE2 3.97Å; P517-F532 HydrophobicContact CG-CB 4.41Å; F532-I542 HydrophobicContact CE2-CD1 3.99Å; F532-I542 HydrophobicContact CE2-CG2 4.35Å; F532-I542 HydrophobicContact CZ-CD1 4.13Å; F532-I542 HydrophobicContact CZ-CG2 4.08Å; F532-W544 AromaticContact CD1-CZ2 3.87Å; F532-W544 HydrophobicContact CD1-CZ2 3.87Å; F532-W544 AromaticContact CE1-CZ2 3.58Å; F532-W544 HydrophobicContact CE1-CZ2 3.58Å; F532-W544 HydrophobicContact CZ-CZ2 4.06Å; F532-W544 AromaticContact CZ-NE1 3.98Å; F532-H567 HydrophobicContact CD1-CB 4.07Å; F532-H567 WeakPolarHBondContact CD1-O 3.32Å; F532-H567 HydrophobicContact CD2-CB 4.11Å; F532-H567 HydrophobicContact CE1-CB 3.55Å; F532-H567 HydrophobicContact CE2-CB 3.63Å; F532-H567 HydrophobicContact CG-CB 4.33Å; F532-H567 HydrophobicContact CZ-CB 3.32Å; F532-H567 PolarHBondContact N-O 2.95Å; F532-H567 PolarHBondContact O-N 2.95Å; F532-H567 VanDerWaalsContact O-O 3.1Å; F532-F569 HydrophobicContact CE1-CB 4.42Å; F532-F595 HydrophobicContact CB-CE1 4.01Å; F532-F595 HydrophobicContact CB-CZ 3.97Å; F532-F595 AromaticContact CD2-CE1 3.89Å; F532-F595 HydrophobicContact CD2-CE1 3.89Å; F532-F595 HydrophobicContact CD2-CZ 4.37Å; F532-F595 HydrophobicContact CG-CE1 4.04Å; F532-F595 HydrophobicContact CG-CZ 4.08Å
533K95.6Very high92.9Very high66 Ų6656.7 Ų56.729%0.28730%0.304SS..EExtended strand (participates in β ladder)trans-127.5129.6-179.7-164.6177.8-178.1157.20110.9F513 L514 Q515 K564 G565 M566F513-K533 CarbonylContact C-O 3.6Å; F513-K533 WeakPolarHBondContact CA-O 3.47Å; L514-K533 HydrophobicContact CB-CB 4.31Å; L514-K533 HydrophobicContact CB-CD 4.28Å; L514-K533 HydrophobicContact CB-CG 4.27Å; L514-K533 HydrophobicContact CD1-CD 4.34Å; L514-K533 PolarHBondContact N-O 2.86Å; Q515-K533 HydrophobicContact CB-CB 3.64Å; Q515-K533 PolarHBondContact N-O 2.88Å; Q515-K533 PolarHBondContact O-N 2.85Å; K533-K564 WeakPolarHBondContact CE-O 3.49Å; K533-K564 PolarHBondContact NZ-O 2.79Å; K533-G565 WeakPolarHBondContact CA-O 3.39Å; K533-G565 WeakPolarHBondContact CG-O 3.23Å; K533-M566 HydrophobicContact CB-SD 3.94Å; K533-M566 HydrophobicContact CG-SD 4.31Å
534V95.3Very high93.1Very high3 Ų352.5 Ų52.52%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-130.8145.1176.967.10000110.5P511 R512 F513 P540 I542 G565 A586P511-V534 HydrophobicContact CB-CG2 4.21Å; R512-V534 WeakPolarHBondContact O-CA 3.35Å; F513-V534 HydrophobicContact CD1-CB 3.72Å; F513-V534 HydrophobicContact CD1-CG2 3.94Å; F513-V534 HydrophobicContact CE1-CB 3.78Å; F513-V534 HydrophobicContact CE1-CG2 3.93Å; F513-V534 HydrophobicContact CG-CG2 4.43Å; F513-V534 HydrophobicContact CZ-CG2 4.42Å; V534-P540 HydrophobicContact CG1-CG 3.86Å; V534-P540 HydrophobicContact CG2-CG 4.11Å; V534-I542 HydrophobicContact CG1-CD1 4.15Å; V534-G565 PolarHBondContact N-O 2.82Å; V534-G565 VanDerWaalsContact N-O 3.08Å; V534-A586 HydrophobicContact CG2-CB 3.92Å
535S93.5Very high93.3Very high36 Ų3653.4 Ų53.425%0.25229%0.287SS..EExtended strand (participates in β ladder)trans-122.7144.9167.961.80000110.6P511 R512P511-S535 CarbonylContact C-O 3.57Å; P511-S535 VanDerWaalsContact CA-O 3.32Å; P511-S535 WeakPolarHBondContact CA-O 3.41Å; R512-S535 PolarHBondContact N-O 3.34Å; R512-S535 PolarHBondContact O-N 3.1Å
536G91.7Very high93.8Very high10 Ų1052.5 Ų52.510%0.10327%0.27CS..EExtended strand (participates in β ladder)trans-170149.8176.300000109.3F509 P538F509-G536 VanDerWaalsContact CE2-CA 3.44Å; G536-P538 CarbonylContact C-O 3.55Å; G536-P538 CarbonylContact O-C 3.58Å
537L91Very high94Very high90 Ų9050.2 Ų50.247%0.47127%0.269SS..EExtended strand (participates in β ladder)trans-128.4122.3168.6-74.1-177.1000110C508 F509 N588C508-L537 CarbonylContact C-O 3.58Å; C508-L537 WeakPolarHBondContact CA-O 3.41Å; C508-L537 WeakPolarHBondContact CB-O 3.45Å; F509-L537 HydrophobicContact CD1-CB 3.91Å; F509-L537 HydrophobicContact CD1-CD1 4.17Å; F509-L537 HydrophobicContact CD1-CG 4.11Å; F509-L537 HydrophobicContact CE1-CB 3.84Å; F509-L537 HydrophobicContact CE1-CD1 3.58Å; F509-L537 HydrophobicContact CE1-CG 3.51Å; F509-L537 HydrophobicContact CZ-CB 4.44Å; F509-L537 HydrophobicContact CZ-CD1 4.42Å; F509-L537 HydrophobicContact CZ-CG 3.99Å; F509-L537 PolarHBondContact N-O 3.32Å; F509-L537 PolarHBondContact O-N 2.8Å; F509-L537 VanDerWaalsContact O-N 3.13Å; L537-N588 PolarHBondContact N-ND2 2.95Å; L537-N588 PolarHBondContact O-ND2 3.02Å
538P91.6Very high94.1Very high48 Ų4846 Ų4631%0.31227%0.266SS..SBendcis-56.8167.5-9.2-22.335000113.2G536 N588 R589G536-P538 CarbonylContact C-O 3.55Å; G536-P538 CarbonylContact O-C 3.58Å; P538-N588 WeakPolarHBondContact O-CB 3.43Å; P538-N588 PolarHBondContact O-ND2 3.1Å; P538-R589 HydrophobicContact CG-CG 3.99Å
539A90.4Very high94.1Very high85 Ų8553.1 Ų53.170%0.70230%0.297SS*.PPolyproline II helixtrans-52.5133.8176.300000110.4
540P93.2Very high94.1Very high22 Ų2250.6 Ų50.614%0.14330%0.302CS..PPolyproline II helixtrans-76.5140.6-176.930-33.6000112.2P511 V534 A586 K587P511-P540 HydrophobicContact CB-CB 3.94Å; P511-P540 HydrophobicContact CB-CG 4.4Å; P511-P540 HydrophobicContact CG-CB 3.83Å; V534-P540 HydrophobicContact CG1-CG 3.86Å; V534-P540 HydrophobicContact CG2-CG 4.11Å; P540-A586 HydrophobicContact CB-CB 4.05Å; P540-A586 HydrophobicContact CG-CB 4.46Å; P540-K587 CarbonylContact C-O 3.53Å; P540-K587 VanDerWaalsContact CA-O 3.29Å; P540-K587 WeakPolarHBondContact CA-O 3.31Å
541D92.9Very high94Very high115 Ų11552.1 Ų52.162%0.61531%0.31SS*.EExtended strand (participates in β ladder)trans-72.3149.4158.2-178.429.8000109.5A586 K587D541-A586 CarbonylContact O-C 3.51Å; D541-A586 VanDerWaalsContact O-CA 3.29Å; D541-A586 WeakPolarHBondContact O-CA 3.38Å; D541-K587 PolarHBondContact N-O 2.93Å; D541-K587 PolarHBondContact O-N 2.78Å
542I94.4Very high93.7Very high14 Ų1459.4 Ų59.47%0.07233%0.333CS..EExtended strand (participates in β ladder)trans-130.5121.2-171.5-62.8165.4000110F532 V534 M559 H567 V585 A586F532-I542 HydrophobicContact CE2-CD1 3.99Å; F532-I542 HydrophobicContact CE2-CG2 4.35Å; F532-I542 HydrophobicContact CZ-CD1 4.13Å; F532-I542 HydrophobicContact CZ-CG2 4.08Å; V534-I542 HydrophobicContact CG1-CD1 4.15Å; I542-M559 HydrophobicContact CG2-SD 4.28Å; I542-H567 VanDerWaalsContact CD1-CE1 3.45Å; I542-H567 WeakPolarHBondContact CD1-CE1 3.43Å; I542-H567 VanDerWaalsContact CD1-ND1 3.33Å; I542-H567 WeakPolarHBondContact CD1-ND1 3.38Å; I542-V585 WeakPolarHBondContact CA-O 3.49Å; I542-A586 HydrophobicContact CG1-CB 4.38Å
543S95Very high93.1Very high44 Ų4464 Ų6431%0.30836%0.364SS..EExtended strand (participates in β ladder)trans-117.9135.2175.2-67.50000110.7V585S543-V585 PolarHBondContact N-O 2.89Å; S543-V585 PolarHBondContact O-N 2.77Å
544W96.1Very high92.7Very high2 Ų264.4 Ų64.41%0.00837%0.369CS..EExtended strand (participates in β ladder)trans-107.4149.7173.5-7685.3000111.4I530 F532 I551 M559 F569 Y582 E583 C584 F595I530-W544 HydrophobicContact CG2-CH2 3.67Å; I530-W544 HydrophobicContact CG2-CZ2 4.27Å; F532-W544 AromaticContact CD1-CZ2 3.87Å; F532-W544 HydrophobicContact CD1-CZ2 3.87Å; F532-W544 AromaticContact CE1-CZ2 3.58Å; F532-W544 HydrophobicContact CE1-CZ2 3.58Å; F532-W544 HydrophobicContact CZ-CZ2 4.06Å; F532-W544 AromaticContact CZ-NE1 3.98Å; W544-I551 HydrophobicContact CB-CB 4.23Å; W544-I551 HydrophobicContact CB-CD1 4.06Å; W544-I551 HydrophobicContact CB-CG1 4.38Å; W544-I551 PolarHBondContact O-N 3.01Å; W544-M559 VanDerWaalsContact CD1-SD 3.59Å; W544-F569 HydrophobicContact CB-CD2 4.48Å; W544-F569 HydrophobicContact CB-CE2 4.16Å; W544-F569 AromaticContact CD1-CD2 3.61Å; W544-F569 HydrophobicContact CD2-CD2 4.09Å; W544-F569 HydrophobicContact CD2-CE2 4.45Å; W544-F569 HydrophobicContact CD2-CG 4.19Å; W544-F569 AromaticContact CE2-CG 3.87Å; W544-F569 AromaticContact CG-CD2 3.83Å; W544-F569 HydrophobicContact CG-CD2 3.83Å; W544-F569 AromaticContact CG-CE2 3.99Å; W544-F569 HydrophobicContact CG-CE2 3.99Å; W544-F569 HydrophobicContact CG-CG 4.41Å; W544-F569 HydrophobicContact CZ2-CB 3.75Å; W544-F569 HydrophobicContact CZ2-CG 4.23Å; W544-F569 AromaticContact NE1-CD2 3.7Å; W544-F569 AromaticContact NE1-CG 3.95Å; W544-Y582 AromaticContact CE3-CD1 3.97Å; W544-Y582 HydrophobicContact CE3-CD1 3.97Å; W544-Y582 HydrophobicContact CZ3-CD1 4.29Å; W544-E583 CarbonylContact C-O 3.54Å; W544-E583 WeakPolarHBondContact CA-O 3.37Å; W544-C584 HydrophobicContact CD2-CB 3.87Å; W544-C584 HydrophobicContact CE3-CB 3.78Å; W544-C584 HydrophobicContact CH2-CB 3.79Å; W544-C584 HydrophobicContact CZ2-CB 3.84Å; W544-C584 HydrophobicContact CZ3-CB 3.75Å; W544-F595 AromaticContact CH2-CE2 3.81Å; W544-F595 HydrophobicContact CH2-CE2 3.81Å; W544-F595 AromaticContact CH2-CZ 3.51Å; W544-F595 HydrophobicContact CH2-CZ 3.51Å; W544-F595 AromaticContact CZ2-CZ 4Å; W544-F595 HydrophobicContact CZ2-CZ 4Å; W544-F595 HydrophobicContact CZ3-CE2 4.23Å; W544-F595 HydrophobicContact CZ3-CZ 4.28Å
545Y96.4Very high92.2Very high69 Ų6970.5 Ų70.527%0.27140%0.401SS..EExtended strand (participates in β ladder)trans-135.5137.1177.3-55.6-106.2000109.6K549 A550 Y582 E583 V585Y545-K549 CarbonylContact C-O 3.57Å; Y545-K549 WeakPolarHBondContact CA-O 3.41Å; Y545-A550 HydrophobicContact CD1-CB 3.83Å; Y545-A550 HydrophobicContact CE1-CB 3.72Å; Y545-Y582 CarbonylContact O-C 3.56Å; Y545-Y582 VanDerWaalsContact O-CA 3.27Å; Y545-Y582 WeakPolarHBondContact O-CA 3.29Å; Y545-E583 PolarHBondContact N-O 3.4Å; Y545-E583 PolarHBondContact O-N 3.47Å; Y545-V585 HydrophobicContact CD2-CG2 3.99Å; Y545-V585 HydrophobicContact CE2-CB 4.15Å; Y545-V585 HydrophobicContact CE2-CG2 3.61Å
546L95.9Very high91.8Very high28 Ų2875 Ų7515%0.14741%0.414CS..EExtended strand (participates in β ladder)trans-108.8118170.3171.856.1000108.5G548 K549 I551 Y582L546-G548 PolarHBondContact O-N 2.85Å; L546-K549 PolarHBondContact N-O 3.37Å; L546-K549 WeakPolarHBondContact O-CB 3.45Å; L546-K549 PolarHBondContact O-N 3.31Å; L546-I551 HydrophobicContact CB-CD1 3.94Å; L546-I551 HydrophobicContact CB-CG1 4.09Å; L546-Y582 HydrophobicContact CD1-CD2 3.96Å; L546-Y582 HydrophobicContact CD1-CE2 3.65Å
547D94.8Very high91.8Very high96 Ų9675.6 Ų75.651%0.51341%0.414SS..THydrogen-bonded Turntrans48.541.8-175-57.8-31.3000112.6K549 V581D547-K549 VanDerWaalsContact C-N 3.3Å; D547-K549 PolarHBondContact O-N 3.41Å; D547-V581 PolarHBondContact N-O 2.86Å; D547-V581 PolarHBondContact OD1-N 2.79Å
548G93.3Very high91.8Very high58 Ų5875 Ų7560%0.59841%0.407SS*.THydrogen-bonded Turntrans78.8-2.5-177.800000115.9L546L546-G548 PolarHBondContact O-N 2.85Å
549K95.6Very high91.8Very high155 Ų15576.6 Ų76.667%0.67441%0.412SS*.EExtended strand (participates in β ladder)trans-90.8123.2175.4-57.6168.5-171.4157.70109.9Y545 L546 D547 I551Y545-K549 CarbonylContact C-O 3.57Å; Y545-K549 WeakPolarHBondContact CA-O 3.41Å; L546-K549 PolarHBondContact N-O 3.37Å; L546-K549 WeakPolarHBondContact O-CB 3.45Å; L546-K549 PolarHBondContact O-N 3.31Å; D547-K549 VanDerWaalsContact C-N 3.3Å; D547-K549 PolarHBondContact O-N 3.41Å; K549-I551 PolarHBondContact O-N 3.15Å
550A94.6Very high91.7Very high68 Ų6876.3 Ų76.356%0.56240%0.398SS*.EExtended strand (participates in β ladder)trans-60.5123.2178.900000111.7Y545Y545-A550 HydrophobicContact CD1-CB 3.83Å; Y545-A550 HydrophobicContact CE1-CB 3.72Å
551I93.6Very high91.5Very high31 Ų3180.6 Ų80.616%0.15942%0.423CS..EExtended strand (participates in β ladder)trans-79.6132.5171.4-51.4-179.8000107.3W544 L546 K549 H557 F569 Y582W544-I551 HydrophobicContact CB-CB 4.23Å; W544-I551 HydrophobicContact CB-CD1 4.06Å; W544-I551 HydrophobicContact CB-CG1 4.38Å; W544-I551 PolarHBondContact O-N 3.01Å; L546-I551 HydrophobicContact CB-CD1 3.94Å; L546-I551 HydrophobicContact CB-CG1 4.09Å; K549-I551 PolarHBondContact O-N 3.15Å; I551-H557 HydrophobicContact CG2-CB 4.05Å; I551-F569 HydrophobicContact CD1-CE2 4.38Å; I551-F569 HydrophobicContact CD1-CZ 3.81Å; I551-F569 HydrophobicContact CG2-CE2 4.22Å; I551-F569 HydrophobicContact CG2-CZ 4.21Å; I551-Y582 HydrophobicContact CD1-CD1 3.75Å; I551-Y582 HydrophobicContact CD1-CE1 3.42Å; I551-Y582 VanDerWaalsContact CD1-CE1 3.42Å
552R87.6Confident91Very high205 Ų20577 Ų7777%0.77441%0.406SS*.PPolyproline II helixtrans-97.6152.4171.8-68.9-172.1173.7113.50.2109.7D554R552-D554 PolarHBondContact O-N 2.69Å
553P83.1Confident90.5Very high100 Ų10081 Ų8165%0.64943%0.425SS*.PPolyproline II helixtrans-57.3127.5161.6-18.931.6000109.3M559P553-M559 HydrophobicContact CG-CE 4.19Å
554D86.7Confident89.8Confident73 Ų7386.8 Ų86.839%0.3945%0.445SS..  trans-148.2-176.8176.165.540.9000109.8R552 Y556 H557R552-D554 PolarHBondContact O-N 2.69Å; D554-Y556 PolarHBondContact O-N 3.18Å; D554-Y556 VanDerWaalsContact O-N 3.15Å; D554-Y556 WeakPolarHBondContact OD1-CA 3.2Å; D554-Y556 WeakPolarHBondContact OD1-CB 3.39Å; D554-Y556 PolarHBondContact OD1-N 2.85Å; D554-H557 VanDerWaalsContact CG-ND1 3.33Å; D554-H557 PolarHBondContact N-O 2.62Å; D554-H557 PolarHBondContact O-N 2.84Å; D554-H557 IonicContact OD1-CG 3.43Å; D554-H557 PolarHBondContact OD1-N 3.45Å; D554-H557 IonicContact OD1-ND1 3.33Å; D554-H557 PolarHBondContact OD1-ND1 2.71Å; D554-H557 VanDerWaalsContact OD1-ND1 3.1Å; D554-H557 IonicContact OD2-CE1 3.23Å; D554-H557 IonicContact OD2-CG 2.79Å; D554-H557 IonicContact OD2-ND1 3.45Å; D554-H557 PolarHBondContact OD2-ND1 2.82Å
555D84.4Confident89.1Confident132 Ų13288 Ų8871%0.70646%0.457SS*.SBendtrans-62.2-19.4-178.5-69.2-47.1000113.8K558D555-K558 VanDerWaalsContact O-CE 3.31Å; D555-K558 WeakPolarHBondContact O-CE 3.27Å; D555-K558 PolarHBondContact O-NZ 2.95Å
556Y85.6Confident88.9Confident130 Ų13086.7 Ų86.751%0.5145%0.454SS..SBendtrans-100.9-35.2179.7-54.1-80.9000112.2D554 I571 E572D554-Y556 PolarHBondContact O-N 3.18Å; D554-Y556 VanDerWaalsContact O-N 3.15Å; D554-Y556 WeakPolarHBondContact OD1-CA 3.2Å; D554-Y556 WeakPolarHBondContact OD1-CB 3.39Å; D554-Y556 PolarHBondContact OD1-N 2.85Å; Y556-I571 WeakPolarHBondContact O-CA 3.34Å; Y556-E572 PolarHBondContact O-N 2.86Å
557H92.3Very high88.8Confident22 Ų2286.2 Ų86.210%0.10245%0.452CS..EExtended strand (participates in β ladder)trans-101.694.5-175-63.5105.8000112.4I551 D554 F569 I570 H578I551-H557 HydrophobicContact CG2-CB 4.05Å; D554-H557 VanDerWaalsContact CG-ND1 3.33Å; D554-H557 PolarHBondContact N-O 2.62Å; D554-H557 PolarHBondContact O-N 2.84Å; D554-H557 IonicContact OD1-CG 3.43Å; D554-H557 PolarHBondContact OD1-N 3.45Å; D554-H557 IonicContact OD1-ND1 3.33Å; D554-H557 PolarHBondContact OD1-ND1 2.71Å; D554-H557 VanDerWaalsContact OD1-ND1 3.1Å; D554-H557 IonicContact OD2-CE1 3.23Å; D554-H557 IonicContact OD2-CG 2.79Å; D554-H557 IonicContact OD2-ND1 3.45Å; D554-H557 PolarHBondContact OD2-ND1 2.82Å; H557-F569 HydrophobicContact CB-CE2 4.42Å; H557-F569 AromaticContact CD2-CZ 3.63Å; H557-I570 WeakPolarHBondContact CA-O 3.4Å; H557-H578 AromaticContact CE1-CD2 3.97Å; H557-H578 AromaticContact CE1-NE2 3.63Å; H557-H578 AromaticContact NE2-CD2 3.39Å; H557-H578 PolarHBondContact NE2-CD2 3.24Å; H557-H578 AromaticContact NE2-NE2 3.47Å; H557-H578 PolarHBondContact NE2-NE2 2.66Å
558K90.6Very high88.7Confident79 Ų7981.7 Ų81.734%0.34343%0.427SS..EExtended strand (participates in β ladder)trans-106119.7-174-77153.3174.4149.70111.6D555 I570 E572D555-K558 VanDerWaalsContact O-CE 3.31Å; D555-K558 WeakPolarHBondContact O-CE 3.27Å; D555-K558 PolarHBondContact O-NZ 2.95Å; K558-I570 HydrophobicContact CB-CB 4.31Å; K558-I570 PolarHBondContact N-O 3.27Å; K558-I570 PolarHBondContact O-N 2.92Å; K558-E572 IonicContact NZ-OE2 2.99Å; K558-E572 PolarHBondContact NZ-OE2 3.01Å
559M90.7Very high88.8Confident81 Ų8179.1 Ų79.140%0.39940%0.4SS..EExtended strand (participates in β ladder)trans-98.1124.6171.1-71.2-161.1-69.600110.6I542 W544 P553 F569I542-M559 HydrophobicContact CG2-SD 4.28Å; W544-M559 VanDerWaalsContact CD1-SD 3.59Å; P553-M559 HydrophobicContact CG-CE 4.19Å; M559-F569 HydrophobicContact CG-CD2 3.89Å
560L89.1Confident88.8Confident78 Ų7873.3 Ų73.341%0.40838%0.376SS..EExtended strand (participates in β ladder)trans-117.3128.8176.3-57.1179.3000110.2H567 S568 I570L560-H567 WeakPolarHBondContact O-CA 3.35Å; L560-S568 PolarHBondContact N-O 2.87Å; L560-S568 PolarHBondContact O-N 2.89Å; L560-I570 HydrophobicContact CD1-CD1 3.73Å; L560-I570 HydrophobicContact CG-CD1 4.41Å
561V88.3Confident88.8Confident112 Ų11270 Ų7068%0.67935%0.349SS*.EExtended strand (participates in β ladder)trans-88.2125.2165.6-175.50000107.8
562C82.9Confident88.7Confident39 Ų3973.4 Ų73.426%0.26436%0.364SS..  trans-108.8172174.8-66.70000110.5M566C562-M566 CarbonylContact C-O 3.6Å; C562-M566 WeakPolarHBondContact CA-O 3.24Å; C562-M566 HydrophobicContact CB-CB 4.07Å; C562-M566 WeakPolarHBondContact CB-O 3.18Å; C562-M566 PolarHBondContact N-O 2.97Å
563E82.9Confident88.9Confident100 Ų10067.8 Ų67.847%0.46735%0.348SS..G310 helixtrans-55.8154.6179.2-61-174.3-168.500113.2N457 G565 M566N457-E563 PolarHBondContact ND2-OE1 2.95Å; E563-G565 VanDerWaalsContact C-N 3.27Å; E563-G565 PolarHBondContact O-N 2.89Å; E563-M566 WeakPolarHBondContact O-CB 3.46Å; E563-M566 PolarHBondContact O-N 3.18Å
564K81.7Confident89.4Confident164 Ų16463 Ų6371%0.71332%0.317SS*.G310 helixtrans60.529.6166.4-53.5173.7-176.685.50114.5K533K533-K564 WeakPolarHBondContact CE-O 3.49Å; K533-K564 PolarHBondContact NZ-O 2.79Å
565G80.4Confident89.6Confident27 Ų2761.6 Ų61.628%0.27831%0.311SS..G310 helixtrans77.720176.600000114.5K533 V534 E563 H567K533-G565 WeakPolarHBondContact CA-O 3.39Å; K533-G565 WeakPolarHBondContact CG-O 3.23Å; V534-G565 PolarHBondContact N-O 2.82Å; V534-G565 VanDerWaalsContact N-O 3.08Å; E563-G565 VanDerWaalsContact C-N 3.27Å; E563-G565 PolarHBondContact O-N 2.89Å; G565-H567 PolarHBondContact O-CD2 2.88Å; G565-H567 VanDerWaalsContact O-CD2 3.3Å
566M91.9Very high89.9Confident42 Ų4258.5 Ų58.521%0.20730%0.297CS..EExtended strand (participates in β ladder)trans-88.4141173-167.469.5-163.500109.6D531 K533 C562 E563D531-M566 HydrophobicContact CB-CE 3.64Å; K533-M566 HydrophobicContact CB-SD 3.94Å; K533-M566 HydrophobicContact CG-SD 4.31Å; C562-M566 CarbonylContact C-O 3.6Å; C562-M566 WeakPolarHBondContact CA-O 3.24Å; C562-M566 HydrophobicContact CB-CB 4.07Å; C562-M566 WeakPolarHBondContact CB-O 3.18Å; C562-M566 PolarHBondContact N-O 2.97Å; E563-M566 WeakPolarHBondContact O-CB 3.46Å; E563-M566 PolarHBondContact O-N 3.18Å
567H93.9Very high90.2Very high19 Ų1960 Ų609%0.08831%0.308CS..EExtended strand (participates in β ladder)trans-136.7151.2-178.4-62.7-102.4000110.7F532 I542 L560 G565F532-H567 HydrophobicContact CD1-CB 4.07Å; F532-H567 WeakPolarHBondContact CD1-O 3.32Å; F532-H567 HydrophobicContact CD2-CB 4.11Å; F532-H567 HydrophobicContact CE1-CB 3.55Å; F532-H567 HydrophobicContact CE2-CB 3.63Å; F532-H567 HydrophobicContact CG-CB 4.33Å; F532-H567 HydrophobicContact CZ-CB 3.32Å; F532-H567 PolarHBondContact N-O 2.95Å; F532-H567 PolarHBondContact O-N 2.95Å; F532-H567 VanDerWaalsContact O-O 3.1Å; I542-H567 VanDerWaalsContact CD1-CE1 3.45Å; I542-H567 WeakPolarHBondContact CD1-CE1 3.43Å; I542-H567 VanDerWaalsContact CD1-ND1 3.33Å; I542-H567 WeakPolarHBondContact CD1-ND1 3.38Å; L560-H567 WeakPolarHBondContact O-CA 3.35Å; G565-H567 PolarHBondContact O-CD2 2.88Å; G565-H567 VanDerWaalsContact O-CD2 3.3Å
568S94.4Very high90.2Very high1 Ų160 Ų601%0.00731%0.308CS..EExtended strand (participates in β ladder)trans-131.5124.8178.5-59.10000110R529 I530 D531 L560R529-S568 PolarHBondContact NE-OG 2.72Å; R529-S568 PolarHBondContact NH2-OG 2.69Å; I530-S568 WeakPolarHBondContact O-CA 3.11Å; D531-S568 VanDerWaalsContact OD1-CB 3.25Å; D531-S568 WeakPolarHBondContact OD1-CB 3.36Å; D531-S568 PolarHBondContact OD1-OG 2.83Å; L560-S568 PolarHBondContact N-O 2.87Å; L560-S568 PolarHBondContact O-N 2.89Å
569F95.3Very high90.4Very high3 Ų358 Ų581%0.01331%0.307CS..EExtended strand (participates in β ladder)trans-101127.3165.4174.9-90000108.2I530 F532 W544 I551 H557 M559 I571 Y582I530-F569 HydrophobicContact CB-CB 4.33Å; I530-F569 HydrophobicContact CB-CD1 4.44Å; I530-F569 HydrophobicContact CD1-CD1 3.98Å; I530-F569 HydrophobicContact CD1-CE1 4.44Å; I530-F569 HydrophobicContact CG1-CD1 4.38Å; I530-F569 PolarHBondContact N-O 3.39Å; I530-F569 PolarHBondContact O-N 3.07Å; F532-F569 HydrophobicContact CE1-CB 4.42Å; W544-F569 HydrophobicContact CB-CD2 4.48Å; W544-F569 HydrophobicContact CB-CE2 4.16Å; W544-F569 AromaticContact CD1-CD2 3.61Å; W544-F569 HydrophobicContact CD2-CD2 4.09Å; W544-F569 HydrophobicContact CD2-CE2 4.45Å; W544-F569 HydrophobicContact CD2-CG 4.19Å; W544-F569 AromaticContact CE2-CG 3.87Å; W544-F569 AromaticContact CG-CD2 3.83Å; W544-F569 HydrophobicContact CG-CD2 3.83Å; W544-F569 AromaticContact CG-CE2 3.99Å; W544-F569 HydrophobicContact CG-CE2 3.99Å; W544-F569 HydrophobicContact CG-CG 4.41Å; W544-F569 HydrophobicContact CZ2-CB 3.75Å; W544-F569 HydrophobicContact CZ2-CG 4.23Å; W544-F569 AromaticContact NE1-CD2 3.7Å; W544-F569 AromaticContact NE1-CG 3.95Å; I551-F569 HydrophobicContact CD1-CE2 4.38Å; I551-F569 HydrophobicContact CD1-CZ 3.81Å; I551-F569 HydrophobicContact CG2-CE2 4.22Å; I551-F569 HydrophobicContact CG2-CZ 4.21Å; H557-F569 HydrophobicContact CB-CE2 4.42Å; H557-F569 AromaticContact CD2-CZ 3.63Å; M559-F569 HydrophobicContact CG-CD2 3.89Å; F569-I571 HydrophobicContact CD1-CG1 4.42Å; F569-I571 HydrophobicContact CE1-CD1 4.11Å; F569-I571 HydrophobicContact CE1-CG1 3.73Å; F569-I571 HydrophobicContact CZ-CG1 4.44Å; F569-Y582 HydrophobicContact CE1-CD1 4.2Å; F569-Y582 AromaticContact CE1-CE1 3.74Å; F569-Y582 HydrophobicContact CE1-CE1 3.74Å; F569-Y582 HydrophobicContact CZ-CE1 4.02Å
570I94.6Very high90.6Very high33 Ų3355 Ų5517%0.16930%0.296CS..EExtended strand (participates in β ladder)trans-125.2131.9-171.4-62175.3000109.2C528 R529 H557 K558 L560C528-I570 WeakPolarHBondContact O-CA 3.23Å; R529-I570 HydrophobicContact CB-CG1 4.34Å; R529-I570 HydrophobicContact CG-CG1 4.11Å; H557-I570 WeakPolarHBondContact CA-O 3.4Å; K558-I570 HydrophobicContact CB-CB 4.31Å; K558-I570 PolarHBondContact N-O 3.27Å; K558-I570 PolarHBondContact O-N 2.92Å; L560-I570 HydrophobicContact CD1-CD1 3.73Å; L560-I570 HydrophobicContact CG-CD1 4.41Å
571I95.1Very high91Very high0 Ų054.5 Ų54.50%030%0.297CS..EExtended strand (participates in β ladder)trans-107.9112.9169-50.6174.1000106.2F527 C528 Y556 F569 V574 H578 Y582 L599F527-I571 CarbonylContact C-O 3.46Å; F527-I571 VanDerWaalsContact CA-O 3.31Å; F527-I571 WeakPolarHBondContact CA-O 3.35Å; C528-I571 HydrophobicContact CB-CB 4.14Å; C528-I571 HydrophobicContact CB-CD1 4.32Å; C528-I571 HydrophobicContact CB-CG1 4.41Å; C528-I571 PolarHBondContact N-O 3.3Å; C528-I571 PolarHBondContact O-N 3.37Å; Y556-I571 WeakPolarHBondContact O-CA 3.34Å; F569-I571 HydrophobicContact CD1-CG1 4.42Å; F569-I571 HydrophobicContact CE1-CD1 4.11Å; F569-I571 HydrophobicContact CE1-CG1 3.73Å; F569-I571 HydrophobicContact CZ-CG1 4.44Å; I571-V574 HydrophobicContact CB-CG2 4.24Å; I571-V574 HydrophobicContact CG2-CG2 4.1Å; I571-H578 HydrophobicContact CD1-CB 4.29Å; I571-Y582 HydrophobicContact CD1-CE1 4.42Å; I571-Y582 WeakPolarHBondContact CD1-OH 3.39Å; I571-L599 HydrophobicContact CD1-CD2 3.76Å
572E91.4Very high91.4Very high102 Ų10249.2 Ų49.248%0.47726%0.264SS..SBendtrans-71-38.4-171.6-171.6163.1160.300113.1F527 Y556 K558F527-E572 WeakPolarHBondContact CA-O 3.36Å; F527-E572 WeakPolarHBondContact CB-O 3.32Å; Y556-E572 PolarHBondContact O-N 2.86Å; K558-E572 IonicContact NZ-OE2 2.99Å; K558-E572 PolarHBondContact NZ-OE2 3.01Å
573I91.1Very high92.1Very high86 Ų8649.7 Ų49.744%0.44126%0.263SS..SBendtrans-133104.2173.8-53.6179000108.3
574V93.8Very high92.8Very high0 Ų045 Ų450%024%0.241CC..  trans-68.1139.4174.1174.70000109.7V522 G525 R526 C528 I571 V601V522-V574 HydrophobicContact CG1-CB 4.46Å; V522-V574 HydrophobicContact CG1-CG1 4.43Å; V522-V574 HydrophobicContact CG1-CG2 4.09Å; G525-V574 PolarHBondContact N-O 2.96Å; R526-V574 WeakPolarHBondContact O-CB 3.31Å; R526-V574 WeakPolarHBondContact O-CG2 3.37Å; R526-V574 PolarHBondContact O-N 3.28Å; C528-V574 HydrophobicContact CB-CG2 3.59Å; I571-V574 HydrophobicContact CB-CG2 4.24Å; I571-V574 HydrophobicContact CG2-CG2 4.1Å; V574-V601 HydrophobicContact CG1-CB 4.3Å; V574-V601 HydrophobicContact CG1-CG1 3.74Å; V574-V601 HydrophobicContact CG1-CG2 3.54Å
575T91.4Very high93.5Very high43 Ų4337.6 Ų37.626%0.26421%0.209SC..  trans-138.2165.2174.668.70000109.2E524 H577 H578E524-T575 VanDerWaalsContact OE1-CA 3.24Å; E524-T575 WeakPolarHBondContact OE1-CA 3.38Å; T575-H577 PolarHBondContact O-N 2.96Å; T575-H577 PolarHBondContact OG1-N 3Å; T575-H578 PolarHBondContact N-ND1 2.89Å; T575-H578 VanDerWaalsContact N-ND1 3.16Å; T575-H578 WeakPolarHBondContact O-CB 3.42Å; T575-H578 PolarHBondContact O-N 3.41Å; T575-H578 PolarHBondContact OG1-CE1 2.74Å; T575-H578 PolarHBondContact OG1-ND1 3.3Å
576V90.2Very high94.3Very high67 Ų6736.3 Ų36.341%0.40620%0.196SC..G310 helixtrans-52.8-21.6175.7-70.20000114.7E524 H578 A579 A603E524-V576 PolarHBondContact OE1-N 2.87Å; V576-H578 VanDerWaalsContact C-N 3.3Å; V576-H578 PolarHBondContact O-N 2.88Å; V576-A579 PolarHBondContact O-N 2.63Å; V576-A603 HydrophobicContact CG1-CB 3.71Å
577H91.4Very high94.5Very high161 Ų16139.9 Ų39.975%0.74521%0.21SC*.G310 helixtrans-77.7-10.7175.7-63.2-47.4000114.6T575T575-H577 PolarHBondContact O-N 2.96Å; T575-H577 PolarHBondContact OG1-N 3Å
578H93.4Very high94.6Very high22 Ų2240 Ų4010%0.10221%0.212CC..G310 helixtrans-932.1174.5-60.193.1000112.6H557 I571 T575 V576 Y582 L599H557-H578 AromaticContact CE1-CD2 3.97Å; H557-H578 AromaticContact CE1-NE2 3.63Å; H557-H578 AromaticContact NE2-CD2 3.39Å; H557-H578 PolarHBondContact NE2-CD2 3.24Å; H557-H578 AromaticContact NE2-NE2 3.47Å; H557-H578 PolarHBondContact NE2-NE2 2.66Å; I571-H578 HydrophobicContact CD1-CB 4.29Å; T575-H578 PolarHBondContact N-ND1 2.89Å; T575-H578 VanDerWaalsContact N-ND1 3.16Å; T575-H578 WeakPolarHBondContact O-CB 3.42Å; T575-H578 PolarHBondContact O-N 3.41Å; T575-H578 PolarHBondContact OG1-CE1 2.74Å; T575-H578 PolarHBondContact OG1-ND1 3.3Å; V576-H578 VanDerWaalsContact C-N 3.3Å; V576-H578 PolarHBondContact O-N 2.88Å; H578-Y582 WeakPolarHBondContact O-CE2 3.49Å; H578-Y582 PolarHBondContact O-OH 2.8Å; H578-L599 WeakPolarHBondContact O-CD2 3.4Å
579A94.8Very high94.6Very high38 Ų3847.7 Ų47.731%0.31424%0.241SC..  trans-76.4136.4172.100000110.8V576 L599 V601V576-A579 PolarHBondContact O-N 2.63Å; A579-L599 WeakPolarHBondContact CA-O 3.44Å; A579-V601 HydrophobicContact CB-CB 4.05Å; A579-V601 HydrophobicContact CB-CG2 3.88Å
580G95.4Very high94.5Very high17 Ų1749.7 Ų49.718%0.17526%0.258CS..EExtended strand (participates in β ladder)trans154-164.6176.700000113.9L599G580-L599 PolarHBondContact N-O 3.2Å; G580-L599 PolarHBondContact O-N 2.85Å
581V97.6Very high94.6Very high69 Ų6949.5 Ų49.542%0.41826%0.264SS..EExtended strand (participates in β ladder)trans-97.6119.3177.1-177.90000109.7D547D547-V581 PolarHBondContact N-O 2.86Å; D547-V581 PolarHBondContact OD1-N 2.79Å
582Y96.8Very high94.7Very high0 Ų053.6 Ų53.60%028%0.283CS..EExtended strand (participates in β ladder)trans-93.8122.4175.6-76.5-107.1000110.3W544 Y545 L546 I551 F569 I571 H578 T596 M597 L599W544-Y582 AromaticContact CE3-CD1 3.97Å; W544-Y582 HydrophobicContact CE3-CD1 3.97Å; W544-Y582 HydrophobicContact CZ3-CD1 4.29Å; Y545-Y582 CarbonylContact O-C 3.56Å; Y545-Y582 VanDerWaalsContact O-CA 3.27Å; Y545-Y582 WeakPolarHBondContact O-CA 3.29Å; L546-Y582 HydrophobicContact CD1-CD2 3.96Å; L546-Y582 HydrophobicContact CD1-CE2 3.65Å; I551-Y582 HydrophobicContact CD1-CD1 3.75Å; I551-Y582 HydrophobicContact CD1-CE1 3.42Å; I551-Y582 VanDerWaalsContact CD1-CE1 3.42Å; F569-Y582 HydrophobicContact CE1-CD1 4.2Å; F569-Y582 AromaticContact CE1-CE1 3.74Å; F569-Y582 HydrophobicContact CE1-CE1 3.74Å; F569-Y582 HydrophobicContact CZ-CE1 4.02Å; I571-Y582 HydrophobicContact CD1-CE1 4.42Å; I571-Y582 WeakPolarHBondContact CD1-OH 3.39Å; H578-Y582 WeakPolarHBondContact O-CE2 3.49Å; H578-Y582 PolarHBondContact O-OH 2.8Å; Y582-T596 CarbonylContact O-C 3.5Å; Y582-T596 VanDerWaalsContact O-CA 3.29Å; Y582-T596 WeakPolarHBondContact O-CA 3.27Å; Y582-M597 PolarHBondContact N-O 2.92Å; Y582-M597 PolarHBondContact O-N 3.44Å; Y582-L599 HydrophobicContact CD2-CB 3.89Å; Y582-L599 HydrophobicContact CE2-CB 3.71Å; Y582-L599 HydrophobicContact CE2-CD2 3.81Å; Y582-L599 HydrophobicContact CE2-CG 4.34Å
583E97.4Very high94.9Very high50 Ų5049.3 Ų49.323%0.23427%0.266CS..EExtended strand (participates in β ladder)trans-103.6128.7168.7-174.7-173.8172.100109.5W544 Y545 V585 K594 F595 T596W544-E583 CarbonylContact C-O 3.54Å; W544-E583 WeakPolarHBondContact CA-O 3.37Å; Y545-E583 PolarHBondContact N-O 3.4Å; Y545-E583 PolarHBondContact O-N 3.47Å; E583-V585 HydrophobicContact CG-CG2 4.1Å; E583-K594 VanDerWaalsContact OE1-CD 3.29Å; E583-K594 WeakPolarHBondContact OE1-CD 3.34Å; E583-K594 WeakPolarHBondContact OE1-CE 3.29Å; E583-K594 IonicContact OE1-NZ 3.82Å; E583-K594 PolarHBondContact OE1-NZ 2.85Å; E583-F595 WeakPolarHBondContact CA-O 3.47Å; E583-T596 HydrophobicContact CB-CG2 4.09Å; E583-T596 HydrophobicContact CG-CG2 4.01Å
584C96.7Very high95.2Very high0 Ų050.5 Ų50.50%027%0.268CS..EExtended strand (participates in β ladder)trans-110.5123.8173.7-178.40000109.5W544 K594 F595W544-C584 HydrophobicContact CD2-CB 3.87Å; W544-C584 HydrophobicContact CE3-CB 3.78Å; W544-C584 HydrophobicContact CH2-CB 3.79Å; W544-C584 HydrophobicContact CZ2-CB 3.84Å; W544-C584 HydrophobicContact CZ3-CB 3.75Å; C584-K594 VanDerWaalsContact O-CA 3.32Å; C584-K594 WeakPolarHBondContact O-CA 3.49Å; C584-F595 HydrophobicContact CB-CD1 3.82Å; C584-F595 HydrophobicContact CB-CD2 4.31Å; C584-F595 HydrophobicContact CB-CE1 3.45Å; C584-F595 VanDerWaalsContact CB-CE1 3.45Å; C584-F595 HydrophobicContact CB-CE2 3.97Å; C584-F595 HydrophobicContact CB-CG 4.24Å; C584-F595 HydrophobicContact CB-CZ 3.54Å; C584-F595 PolarHBondContact N-O 2.9Å; C584-F595 PolarHBondContact O-N 3.39Å
585V96.9Very high95.4Very high10 Ų1051.1 Ų51.16%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-116.9120.5-178.1-175.90000108.9I542 S543 Y545 E583 E592 K594I542-V585 WeakPolarHBondContact CA-O 3.49Å; S543-V585 PolarHBondContact N-O 2.89Å; S543-V585 PolarHBondContact O-N 2.77Å; Y545-V585 HydrophobicContact CD2-CG2 3.99Å; Y545-V585 HydrophobicContact CE2-CB 4.15Å; Y545-V585 HydrophobicContact CE2-CG2 3.61Å; E583-V585 HydrophobicContact CG-CG2 4.1Å; V585-E592 HydrophobicContact CG1-CG 3.69Å; V585-K594 HydrophobicContact CB-CG 4.47Å; V585-K594 HydrophobicContact CG1-CG 4.19Å; V585-K594 HydrophobicContact CG2-CD 4.22Å; V585-K594 HydrophobicContact CG2-CG 4.11Å
586A96.5Very high95.6Very high0 Ų053.5 Ų53.50%029%0.285CS..EExtended strand (participates in β ladder)trans-109.1128.2174.700000109.9P511 F513 V534 P540 D541 I542 E592 G593P511-A586 HydrophobicContact CB-CB 3.77Å; P511-A586 WeakPolarHBondContact CG-O 3.36Å; F513-A586 HydrophobicContact CE1-CB 4.23Å; F513-A586 HydrophobicContact CE2-CB 4.07Å; F513-A586 HydrophobicContact CZ-CB 3.55Å; V534-A586 HydrophobicContact CG2-CB 3.92Å; P540-A586 HydrophobicContact CB-CB 4.05Å; P540-A586 HydrophobicContact CG-CB 4.46Å; D541-A586 CarbonylContact O-C 3.51Å; D541-A586 VanDerWaalsContact O-CA 3.29Å; D541-A586 WeakPolarHBondContact O-CA 3.38Å; I542-A586 HydrophobicContact CG1-CB 4.38Å; A586-E592 CarbonylContact O-C 3.58Å; A586-E592 WeakPolarHBondContact O-CA 3.26Å; A586-G593 PolarHBondContact N-O 3.35Å; A586-G593 PolarHBondContact O-N 2.84Å
587K96.6Very high96Very high116 Ų11650.5 Ų50.550%0.50427%0.267SS..EExtended strand (participates in β ladder)trans-134.1138.2-170.6-161.6-171.3-171.495.20112.3P540 D541 E592P540-K587 CarbonylContact C-O 3.53Å; P540-K587 VanDerWaalsContact CA-O 3.29Å; P540-K587 WeakPolarHBondContact CA-O 3.31Å; D541-K587 PolarHBondContact N-O 2.93Å; D541-K587 PolarHBondContact O-N 2.78Å; K587-E592 HydrophobicContact CB-CG 4.41Å; K587-E592 HydrophobicContact CG-CB 4.38Å; K587-E592 HydrophobicContact CG-CG 4.28Å; K587-E592 IonicContact NZ-OE2 2.88Å; K587-E592 PolarHBondContact NZ-OE2 2.85Å
588N95.5Very high96.2Very high23 Ų2349 Ų4912%0.12326%0.255CS..EExtended strand (participates in β ladder)trans-145-179.5169.975.411.4000111.5F509 P511 L537 P538 A590 G591F509-N588 PolarHBondContact O-ND2 3.37Å; P511-N588 WeakPolarHBondContact CD-OD1 2.91Å; P511-N588 HydrophobicContact CG-CB 4.14Å; L537-N588 PolarHBondContact N-ND2 2.95Å; L537-N588 PolarHBondContact O-ND2 3.02Å; P538-N588 WeakPolarHBondContact O-CB 3.43Å; P538-N588 PolarHBondContact O-ND2 3.1Å; N588-A590 PolarHBondContact O-N 3.34Å; N588-A590 WeakPolarHBondContact OD1-CA 3.49Å; N588-A590 WeakPolarHBondContact OD1-CB 3.23Å; N588-A590 PolarHBondContact OD1-N 3.34Å; N588-G591 PolarHBondContact N-O 2.84Å; N588-G591 PolarHBondContact O-N 3.38Å; N588-G591 VanDerWaalsContact O-O 3.07Å; N588-G591 PolarHBondContact OD1-N 2.91Å; N588-G591 VanDerWaalsContact OD1-N 3.13Å
589R95.6Very high96.4Very high162 Ų16248 Ų4861%0.61125%0.25SS*.THydrogen-bonded Turntrans-64-8.5-179.280.3-172.8176.8-162.1-3.9115.2E506 C508 P538E506-R589 IonicContact OE2-CZ 2.62Å; E506-R589 IonicContact OE2-NH1 3.45Å; E506-R589 IonicContact OE2-NH2 3.45Å; E506-R589 PolarHBondContact OE2-NH2 3.22Å; C508-R589 PolarHBondContact SG-NE 3.29Å; C508-R589 PolarHBondContact SG-NH2 3.31Å; P538-R589 HydrophobicContact CG-CG 3.99Å
590A93.4Very high96.4Very high44 Ų4448.8 Ų48.836%0.36425%0.249SC..THydrogen-bonded Turntrans-108.7-7.6179.500000113.8C508 N588C508-A590 HydrophobicContact CB-CB 3.93Å; N588-A590 PolarHBondContact O-N 3.34Å; N588-A590 WeakPolarHBondContact OD1-CA 3.49Å; N588-A590 WeakPolarHBondContact OD1-CB 3.23Å; N588-A590 PolarHBondContact OD1-N 3.34Å
591G94.8Very high96.3Very high29 Ų2949.1 Ų49.130%0.29925%0.248SC..EExtended strand (participates in β ladder)trans157-162.4174.300000114.4P511 N588P511-G591 WeakPolarHBondContact CD-O 3.47Å; N588-G591 PolarHBondContact N-O 2.84Å; N588-G591 PolarHBondContact O-N 3.38Å; N588-G591 VanDerWaalsContact O-O 3.07Å; N588-G591 PolarHBondContact OD1-N 2.91Å; N588-G591 VanDerWaalsContact OD1-N 3.13Å
592E97.1Very high95.9Very high87 Ų8750.5 Ų50.541%0.40725%0.252SS..EExtended strand (participates in β ladder)trans-140.2141.3-176-168.6172.3121.300109.7V585 A586 K587 K594V585-E592 HydrophobicContact CG1-CG 3.69Å; A586-E592 CarbonylContact O-C 3.58Å; A586-E592 WeakPolarHBondContact O-CA 3.26Å; K587-E592 HydrophobicContact CB-CG 4.41Å; K587-E592 HydrophobicContact CG-CB 4.38Å; K587-E592 HydrophobicContact CG-CG 4.28Å; K587-E592 IonicContact NZ-OE2 2.88Å; K587-E592 PolarHBondContact NZ-OE2 2.85Å; E592-K594 WeakPolarHBondContact OE1-CE 3.45Å; E592-K594 IonicContact OE1-NZ 3.71Å
593G96.7Very high95.2Very high12 Ų1253.1 Ų53.112%0.12427%0.273CS..EExtended strand (participates in β ladder)trans-130.6150.517500000110.3A586A586-G593 PolarHBondContact N-O 3.35Å; A586-G593 PolarHBondContact O-N 2.84Å
594K97.3Very high94.1Very high111 Ų11156.8 Ų56.848%0.48329%0.29SS..EExtended strand (participates in β ladder)trans-138.4151.9-173.6-62.6-173.1160.9-141.70112.7E583 C584 V585 E592E583-K594 VanDerWaalsContact OE1-CD 3.29Å; E583-K594 WeakPolarHBondContact OE1-CD 3.34Å; E583-K594 WeakPolarHBondContact OE1-CE 3.29Å; E583-K594 IonicContact OE1-NZ 3.82Å; E583-K594 PolarHBondContact OE1-NZ 2.85Å; C584-K594 VanDerWaalsContact O-CA 3.32Å; C584-K594 WeakPolarHBondContact O-CA 3.49Å; V585-K594 HydrophobicContact CB-CG 4.47Å; V585-K594 HydrophobicContact CG1-CG 4.19Å; V585-K594 HydrophobicContact CG2-CD 4.22Å; V585-K594 HydrophobicContact CG2-CG 4.11Å; E592-K594 WeakPolarHBondContact OE1-CE 3.45Å; E592-K594 IonicContact OE1-NZ 3.71Å
595F97.1Very high92.9Very high12 Ų1263.6 Ų63.65%0.05332%0.322CS..EExtended strand (participates in β ladder)trans-142.5159.8157.974.8-98.7000111.3F513 I516 P517 F532 W544 E583 C584 M597F513-F595 AromaticContact CD1-CD1 3.62Å; F513-F595 HydrophobicContact CD1-CD1 3.62Å; F513-F595 AromaticContact CD1-CE1 3.75Å; F513-F595 HydrophobicContact CD1-CE1 3.75Å; F513-F595 HydrophobicContact CD2-CB 4.44Å; F513-F595 AromaticContact CD2-CD1 3.75Å; F513-F595 HydrophobicContact CD2-CD1 3.75Å; F513-F595 AromaticContact CE1-CD1 3.6Å; F513-F595 HydrophobicContact CE1-CD1 3.6Å; F513-F595 AromaticContact CE1-CE1 3.52Å; F513-F595 HydrophobicContact CE1-CE1 3.52Å; F513-F595 AromaticContact CE2-CD1 3.7Å; F513-F595 HydrophobicContact CE2-CD1 3.7Å; F513-F595 HydrophobicContact CE2-CE1 4.42Å; F513-F595 AromaticContact CG-CD1 3.71Å; F513-F595 HydrophobicContact CG-CD1 3.71Å; F513-F595 HydrophobicContact CG-CE1 4.31Å; F513-F595 AromaticContact CZ-CD1 3.63Å; F513-F595 HydrophobicContact CZ-CD1 3.63Å; F513-F595 AromaticContact CZ-CE1 3.88Å; F513-F595 HydrophobicContact CZ-CE1 3.88Å; I516-F595 HydrophobicContact CD1-CB 3.81Å; I516-F595 HydrophobicContact CG1-CB 3.99Å; I516-F595 HydrophobicContact CG1-CD1 4.25Å; I516-F595 HydrophobicContact CG1-CG 4.14Å; I516-F595 HydrophobicContact CG2-CB 3.94Å; I516-F595 HydrophobicContact CG2-CD2 3.71Å; I516-F595 HydrophobicContact CG2-CE2 4.32Å; I516-F595 HydrophobicContact CG2-CG 3.85Å; P517-F595 HydrophobicContact CG-CE2 3.82Å; P517-F595 HydrophobicContact CG-CZ 4.01Å; F532-F595 HydrophobicContact CB-CE1 4.01Å; F532-F595 HydrophobicContact CB-CZ 3.97Å; F532-F595 AromaticContact CD2-CE1 3.89Å; F532-F595 HydrophobicContact CD2-CE1 3.89Å; F532-F595 HydrophobicContact CD2-CZ 4.37Å; F532-F595 HydrophobicContact CG-CE1 4.04Å; F532-F595 HydrophobicContact CG-CZ 4.08Å; W544-F595 AromaticContact CH2-CE2 3.81Å; W544-F595 HydrophobicContact CH2-CE2 3.81Å; W544-F595 AromaticContact CH2-CZ 3.51Å; W544-F595 HydrophobicContact CH2-CZ 3.51Å; W544-F595 AromaticContact CZ2-CZ 4Å; W544-F595 HydrophobicContact CZ2-CZ 4Å; W544-F595 HydrophobicContact CZ3-CE2 4.23Å; W544-F595 HydrophobicContact CZ3-CZ 4.28Å; E583-F595 WeakPolarHBondContact CA-O 3.47Å; C584-F595 HydrophobicContact CB-CD1 3.82Å; C584-F595 HydrophobicContact CB-CD2 4.31Å; C584-F595 HydrophobicContact CB-CE1 3.45Å; C584-F595 VanDerWaalsContact CB-CE1 3.45Å; C584-F595 HydrophobicContact CB-CE2 3.97Å; C584-F595 HydrophobicContact CB-CG 4.24Å; C584-F595 HydrophobicContact CB-CZ 3.54Å; C584-F595 PolarHBondContact N-O 2.9Å; C584-F595 PolarHBondContact O-N 3.39Å; F595-M597 HydrophobicContact CE2-CG 4.19Å
596T97.4Very high91.7Very high93 Ų9366.5 Ų66.557%0.57135%0.347SS*.EExtended strand (participates in β ladder)trans-126.5145.1174.352.30000110Y582 E583Y582-T596 CarbonylContact O-C 3.5Å; Y582-T596 VanDerWaalsContact O-CA 3.29Å; Y582-T596 WeakPolarHBondContact O-CA 3.27Å; E583-T596 HydrophobicContact CB-CG2 4.09Å; E583-T596 HydrophobicContact CG-CG2 4.01Å
597M97.1Very high91.1Very high5 Ų570.8 Ų70.83%0.02537%0.37CS..EExtended strand (participates in β ladder)trans-147.3160.8172.863.4109.872.900110.2P517 P518 D519 L520 I530 Y582 F595P517-M597 HydrophobicContact CB-CE 3.93Å; P517-M597 HydrophobicContact CG-CE 3.81Å; P518-M597 VanDerWaalsContact O-CE 3.26Å; P518-M597 WeakPolarHBondContact O-CE 3.42Å; D519-M597 WeakPolarHBondContact OD1-CA 3.45Å; L520-M597 HydrophobicContact CD1-CE 3.97Å; L520-M597 HydrophobicContact CG-CE 4.01Å; I530-M597 HydrophobicContact CD1-CE 4.1Å; I530-M597 HydrophobicContact CD1-SD 3.92Å; I530-M597 HydrophobicContact CG1-CE 4.34Å; I530-M597 HydrophobicContact CG2-CE 3.71Å; Y582-M597 PolarHBondContact N-O 2.92Å; Y582-M597 PolarHBondContact O-N 3.44Å; F595-M597 HydrophobicContact CE2-CG 4.19Å
598R97.1Very high90.8Very high130 Ų13070.2 Ų70.249%0.49137%0.365SS..EExtended strand (participates in β ladder)trans-105.3136.9177.4-179.8175.3169.7156.5-0.6111D519 L520 D600D519-R598 CarbonylContact C-O 3.47Å; D519-R598 WeakPolarHBondContact CA-O 3.31Å; D519-R598 HydrophobicContact CB-CB 4.2Å; D519-R598 PolarHBondContact OD1-N 2.9Å; L520-R598 PolarHBondContact N-O 3.32Å; R598-D600 IonicContact CZ-OD1 3.65Å; R598-D600 VanDerWaalsContact CZ-OD1 3.26Å; R598-D600 IonicContact CZ-OD2 2.72Å; R598-D600 IonicContact NE-OD1 3.79Å; R598-D600 PolarHBondContact NE-OD1 2.87Å; R598-D600 IonicContact NE-OD2 2.74Å; R598-D600 PolarHBondContact NE-OD2 3.42Å; R598-D600 IonicContact NH2-OD1 3.28Å; R598-D600 PolarHBondContact NH2-OD1 3.49Å; R598-D600 IonicContact NH2-OD2 3.45Å; R598-D600 PolarHBondContact NH2-OD2 2.77Å
599L96.4Very high90.7Very high0 Ų072.2 Ų72.20%038%0.378CS..EExtended strand (participates in β ladder)trans-113.6113.7167.2177.958000108.7L520 V522 I571 H578 A579 G580 Y582 V601L520-L599 HydrophobicContact CB-CD1 3.9Å; L520-L599 WeakPolarHBondContact O-CA 3.42Å; V522-L599 HydrophobicContact CB-CD1 4.29Å; V522-L599 HydrophobicContact CG2-CD1 3.74Å; I571-L599 HydrophobicContact CD1-CD2 3.76Å; H578-L599 WeakPolarHBondContact O-CD2 3.4Å; A579-L599 WeakPolarHBondContact CA-O 3.44Å; G580-L599 PolarHBondContact N-O 3.2Å; G580-L599 PolarHBondContact O-N 2.85Å; Y582-L599 HydrophobicContact CD2-CB 3.89Å; Y582-L599 HydrophobicContact CE2-CB 3.71Å; Y582-L599 HydrophobicContact CE2-CD2 3.81Å; Y582-L599 HydrophobicContact CE2-CG 4.34Å; L599-V601 HydrophobicContact CG-CG2 4.45Å
600D95.3Very high90.7Very high54 Ų5464.6 Ų64.629%0.28935%0.35SS..EExtended strand (participates in β ladder)trans-94.6131.7169.6-75.7-57000110.2L520 T521 V522 R598L520-D600 PolarHBondContact O-N 3.03Å; T521-D600 CarbonylContact C-O 3.58Å; T521-D600 VanDerWaalsContact CA-O 3.29Å; T521-D600 WeakPolarHBondContact CA-O 3.29Å; T521-D600 HydrophobicContact CG2-CB 4.13Å; V522-D600 PolarHBondContact N-O 2.86Å; R598-D600 IonicContact CZ-OD1 3.65Å; R598-D600 VanDerWaalsContact CZ-OD1 3.26Å; R598-D600 IonicContact CZ-OD2 2.72Å; R598-D600 IonicContact NE-OD1 3.79Å; R598-D600 PolarHBondContact NE-OD1 2.87Å; R598-D600 IonicContact NE-OD2 2.74Å; R598-D600 PolarHBondContact NE-OD2 3.42Å; R598-D600 IonicContact NH2-OD1 3.28Å; R598-D600 PolarHBondContact NH2-OD1 3.49Å; R598-D600 IonicContact NH2-OD2 3.45Å; R598-D600 PolarHBondContact NH2-OD2 2.77Å
601V94.2Very high90.8Very high24 Ų2465.5 Ų65.515%0.14535%0.351CS..EExtended strand (participates in β ladder)trans-106.8119.6176.5-178.40000109.8V522 E524 V574 A579 L599 A603V522-V601 CarbonylContact O-C 3.53Å; V522-V601 WeakPolarHBondContact O-CA 3.38Å; E524-V601 HydrophobicContact CB-CG1 4.1Å; V574-V601 HydrophobicContact CG1-CB 4.3Å; V574-V601 HydrophobicContact CG1-CG1 3.74Å; V574-V601 HydrophobicContact CG1-CG2 3.54Å; A579-V601 HydrophobicContact CB-CB 4.05Å; A579-V601 HydrophobicContact CB-CG2 3.88Å; L599-V601 HydrophobicContact CG-CG2 4.45Å; V601-A603 PolarHBondContact O-N 2.85Å
602I88.3Confident90.9Very high99 Ų9965 Ų6551%0.50834%0.341SS..EExtended strand (participates in β ladder)trans-79.9104.5168.7-59.5174.2000106.8T521 V522 E524 Q604T521-I602 HydrophobicContact CG2-CD1 3.7Å; T521-I602 HydrophobicContact CG2-CG1 3.74Å; V522-I602 PolarHBondContact O-N 3Å; E524-I602 PolarHBondContact N-O 2.92Å; I602-Q604 PolarHBondContact O-N 2.87Å
603A81.8Confident90.8Very high54 Ų5465.6 Ų65.645%0.44635%0.35SS..PPolyproline II helixtrans-55132.317200000109.7V576 V601 E605V576-A603 HydrophobicContact CG1-CB 3.71Å; V601-A603 PolarHBondContact O-N 2.85Å; A603-E605 PolarHBondContact O-N 3.3Å
604Q74.4Confident90.7Very high128 Ų12869.2 Ų69.260%0.59836%0.364SS*.PPolyproline II helixtrans-75.6118.8-178.3-168.1176.722.100108.7E524 I602 A606E524-Q604 HydrophobicContact CB-CB 4.3Å; I602-Q604 PolarHBondContact O-N 2.87Å; Q604-A606 PolarHBondContact O-N 2.83Å; Q604-A606 VanDerWaalsContact O-N 3.12Å
605E71.3Confident90.7Very high142 Ų14270.6 Ų70.666%0.66437%0.37SS*.PPolyproline II helixtrans-57123.2175.6-75.3-160.2172.200109.7A603 L607A603-E605 PolarHBondContact O-N 3.3Å; E605-L607 PolarHBondContact O-N 2.81Å
606A71.7Confident90.6Very high72 Ų7270.5 Ų70.560%0.59537%0.37SS*.  trans-64.9105.8-178.200000109.5Q604 R608Q604-A606 PolarHBondContact O-N 2.83Å; Q604-A606 VanDerWaalsContact O-N 3.12Å; A606-R608 WeakPolarHBondContact O-CG 3.46Å; A606-R608 PolarHBondContact O-N 2.97Å
607L84.5Confident90.6Very high89 Ų8972.4 Ų72.447%0.46638%0.376SS..  trans-63107.2179.2-57.7-179.3000109.6E605 S636 P637 E689 A690E605-L607 PolarHBondContact O-N 2.81Å; L607-S636 CarbonylContact C-O 3.54Å; L607-S636 WeakPolarHBondContact CA-O 3.41Å; L607-P637 HydrophobicContact CD2-CG 4.47Å; L607-E689 HydrophobicContact CD1-CG 4.5Å; L607-E689 HydrophobicContact CD2-CG 4.33Å; L607-E689 WeakPolarHBondContact CD2-OE1 3.35Å; L607-A690 HydrophobicContact CB-CB 4.03Å
608R90.6Very high90.5Very high105 Ų10577.5 Ų77.540%0.39640%0.403SS..EExtended strand (participates in β ladder)trans-108.6122.1-178.3-67.3-176.8-52.7121.49.6110A606 D634 S636 N688A606-R608 WeakPolarHBondContact O-CG 3.46Å; A606-R608 PolarHBondContact O-N 2.97Å; R608-D634 IonicContact CZ-OD1 2.72Å; R608-D634 IonicContact CZ-OD2 3.99Å; R608-D634 VanDerWaalsContact NH1-CG 3.29Å; R608-D634 IonicContact NH1-OD1 3.18Å; R608-D634 PolarHBondContact NH1-OD1 2.52Å; R608-D634 IonicContact NH1-OD2 3.84Å; R608-D634 PolarHBondContact NH1-OD2 3.25Å; R608-D634 IonicContact NH2-OD1 2.63Å; R608-D634 PolarHBondContact NH2-OD1 2.81Å; R608-D634 IonicContact NH2-OD2 2.66Å; R608-S636 PolarHBondContact N-O 3.13Å; R608-S636 PolarHBondContact O-N 2.72Å; R608-S636 VanDerWaalsContact O-O 3.12Å; R608-N688 PolarHBondContact O-ND2 2.95Å
609P92.2Very high90.5Very high64 Ų6472.9 Ų72.942%0.41639%0.39SS..EExtended strand (participates in β ladder)trans-64.7159.8178.628.2-35.2000111.1T611 A690P609-T611 PolarHBondContact O-N 3.48Å; P609-A690 HydrophobicContact CB-CB 4.15Å
610P96.3Very high90.5Very high3 Ų383.3 Ų83.32%0.01943%0.429CS..EExtended strand (participates in β ladder)trans-68.9129-174.9-18.133.9000111.1V633 A635 P639 A686 N688 G691 S693P610-V633 HydrophobicContact CB-CG1 3.95Å; P610-A635 HydrophobicContact CB-CB 4.03Å; P610-A635 HydrophobicContact CG-CB 4.19Å; P610-P639 HydrophobicContact CB-CB 4.21Å; P610-P639 HydrophobicContact CG-CB 3.98Å; P610-A686 HydrophobicContact CB-CB 3.68Å; P610-A686 HydrophobicContact CG-CB 4.33Å; P610-N688 WeakPolarHBondContact CD-OD1 3.33Å; P610-N688 HydrophobicContact CG-CB 4.35Å; P610-G691 WeakPolarHBondContact CD-O 3.3Å; P610-S693 WeakPolarHBondContact O-CB 3.29Å; P610-S693 PolarHBondContact O-OG 2.94Å
611T95.4Very high90.4Very high63 Ų6381.4 Ų81.439%0.38742%0.42SS..EExtended strand (participates in β ladder)trans-126.2128.6-178.857.10000110.9P609 V613 V633 D634P609-T611 PolarHBondContact O-N 3.48Å; T611-V613 PolarHBondContact O-N 3.23Å; T611-V613 VanDerWaalsContact O-N 3.09Å; T611-V633 CarbonylContact O-C 3.59Å; T611-V633 WeakPolarHBondContact O-CA 3.32Å; T611-D634 PolarHBondContact N-O 3Å; T611-D634 PolarHBondContact O-N 2.76Å; T611-D634 PolarHBondContact OG1-O 2.89Å
612F96.2Very high90.5Very high19 Ų1983.7 Ų83.78%0.08343%0.432CS..EExtended strand (participates in β ladder)trans-82.785.3176.9-74.1-90.6000110.2Q614 K615 C631 K632 V633 L684 A686 C695F612-Q614 VanDerWaalsContact C-N 3.25Å; F612-Q614 PolarHBondContact O-N 3.33Å; F612-K615 HydrophobicContact CB-CG 3.94Å; F612-C631 HydrophobicContact CD1-CB 4.31Å; F612-K632 CarbonylContact C-O 3.58Å; F612-K632 WeakPolarHBondContact CA-O 3.33Å; F612-V633 HydrophobicContact CD1-CG2 3.78Å; F612-V633 HydrophobicContact CE1-CG2 3.47Å; F612-V633 VanDerWaalsContact CE1-CG2 3.47Å; F612-V633 HydrophobicContact CZ-CG2 3.95Å; F612-L684 HydrophobicContact CE1-CB 4.39Å; F612-L684 HydrophobicContact CE1-CD2 4.04Å; F612-L684 HydrophobicContact CE1-CG 4.17Å; F612-L684 HydrophobicContact CZ-CB 4.35Å; F612-L684 HydrophobicContact CZ-CD2 4.41Å; F612-L684 HydrophobicContact CZ-CG 4.08Å; F612-L684 WeakPolarHBondContact CZ-O 3.44Å; F612-A686 HydrophobicContact CE2-CB 4.08Å; F612-A686 HydrophobicContact CZ-CB 3.99Å; F612-C695 HydrophobicContact CB-CB 4.42Å; F612-C695 HydrophobicContact CD1-CB 3.4Å; F612-C695 VanDerWaalsContact CD1-CB 3.4Å; F612-C695 HydrophobicContact CD2-CB 3.89Å; F612-C695 HydrophobicContact CE1-CB 3.43Å; F612-C695 VanDerWaalsContact CE1-CB 3.43Å; F612-C695 HydrophobicContact CE2-CB 3.93Å; F612-C695 HydrophobicContact CG-CB 3.64Å; F612-C695 HydrophobicContact CZ-CB 3.7Å
613V95.2Very high90.8Very high99 Ų9982.3 Ų82.360%0.642%0.423SS*.EExtended strand (participates in β ladder)trans-59.5-38.6176.6-175.70000110.9T611 K632 D634T611-V613 PolarHBondContact O-N 3.23Å; T611-V613 VanDerWaalsContact O-N 3.09Å; V613-K632 PolarHBondContact N-O 2.79Å; V613-D634 HydrophobicContact CG2-CB 3.56Å
614Q95.8Very high91.3Very high87 Ų8781.9 Ų81.941%0.40742%0.423SS..EExtended strand (participates in β ladder)trans-121.8122.5167.9-178.6-180-13.900107.7F612 C631 K632F612-Q614 VanDerWaalsContact C-N 3.25Å; F612-Q614 PolarHBondContact O-N 3.33Å; Q614-C631 CarbonylContact O-C 3.55Å; Q614-C631 WeakPolarHBondContact O-CA 3.42Å; Q614-C631 WeakPolarHBondContact O-CB 3.26Å; Q614-K632 HydrophobicContact CB-CB 3.77Å; Q614-K632 PolarHBondContact N-O 3.46Å; Q614-K632 PolarHBondContact O-N 2.95Å
615K95.7Very high92.3Very high141 Ų14177.9 Ų77.961%0.61341%0.406SS*.PPolyproline II helixtrans-89.6151.5177.6-68.5179.2-177.4178.10110.5F612F612-K615 HydrophobicContact CB-CG 3.94Å
616M95.8Very high93.5Very high9 Ų975.1 Ų75.14%0.04440%0.399CS..PPolyproline II helixtrans-59.1143.3167.8-63.3-174.3-72.800109.9L629 E630 C631 W643 Y682 L684 C695 A697M616-L629 HydrophobicContact SD-CB 4.22Å; M616-E630 WeakPolarHBondContact CA-O 3.4Å; M616-C631 HydrophobicContact CG-CB 3.64Å; M616-W643 HydrophobicContact CE-CZ3 4.36Å; M616-W643 HydrophobicContact SD-CH2 3.48Å; M616-W643 WeakPolarHBondContact SD-CH2 3.38Å; M616-W643 HydrophobicContact SD-CZ3 3.44Å; M616-W643 WeakPolarHBondContact SD-CZ3 3.36Å; M616-Y682 WeakPolarHBondContact CE-O 3.29Å; M616-L684 HydrophobicContact CE-CB 4.01Å; M616-C695 HydrophobicContact CE-CB 4.22Å; M616-C695 WeakPolarHBondContact CE-O 3.46Å; M616-C695 PolarHBondContact N-SG 2.99Å; M616-A697 HydrophobicContact CB-CB 3.54Å
617L96.6Very high94.6Very high133 Ų13372.1 Ų72.170%0.69637%0.373SS*.PPolyproline II helixtrans-100.4149.7177.9-58.2-179.6000110.4T619 A697L617-T619 PolarHBondContact O-N 3.06Å; L617-T619 PolarHBondContact O-OG1 3.06Å; L617-A697 WeakPolarHBondContact O-CB 3.08Å
618N97Very high95.1Very high112 Ų11275.9 Ų75.960%0.59938%0.381SS*.PPolyproline II helixtrans-67.9131.5170.3-65.9-16.5000109.3A697 R698N618-A697 WeakPolarHBondContact OD1-CA 3.38Å; N618-R698 CarbonylContact C-O 3.53Å; N618-R698 VanDerWaalsContact CA-O 3.28Å; N618-R698 WeakPolarHBondContact CA-O 3.43Å; N618-R698 HydrophobicContact CB-CB 4.32Å; N618-R698 PolarHBondContact OD1-N 3.29Å
619T95.7Very high95.4Very high34 Ų3471 Ų7121%0.20936%0.363CS..EExtended strand (participates in β ladder)trans-120137.8-174.9-540000110.5L617 I627 R698 L699 D700L617-T619 PolarHBondContact O-N 3.06Å; L617-T619 PolarHBondContact O-OG1 3.06Å; T619-I627 HydrophobicContact CG2-CG2 4.45Å; T619-R698 PolarHBondContact N-O 3.17Å; T619-L699 HydrophobicContact CG2-CD1 4.14Å; T619-L699 WeakPolarHBondContact O-CA 3.34Å; T619-D700 PolarHBondContact O-N 3.25Å
620R95.8Very high95.5Very high218 Ų21871.6 Ų71.682%0.82336%0.36SS*.EExtended strand (participates in β ladder)trans-113.7133.5166.5-65.2-174173.1164.5-0108.5D700R620-D700 WeakPolarHBondContact CA-O 3.21Å; R620-D700 HydrophobicContact CG-CB 4.34Å
621A94.8Very high95.5Very high14 Ų1471.4 Ų71.412%0.11636%0.359CS..EExtended strand (participates in β ladder)trans-139166.2179.800000110.6D625 I627 V674 D700 I701 G702A621-D625 HydrophobicContact CB-CB 4.26Å; A621-I627 HydrophobicContact CB-CG2 3.46Å; A621-I627 VanDerWaalsContact CB-CG2 3.46Å; A621-V674 HydrophobicContact CB-CG2 4.17Å; A621-D700 PolarHBondContact N-O 2.87Å; A621-I701 CarbonylContact O-C 3.59Å; A621-I701 WeakPolarHBondContact O-CA 3.45Å; A621-G702 PolarHBondContact O-N 3.27Å
622L95.1Very high95.5Very high73 Ų7371.8 Ų71.838%0.38236%0.355SS..EExtended strand (participates in β ladder)trans-96.8154.7169-61172.2000110.5G624 D625 V674 G702 R704L622-G624 PolarHBondContact O-N 3.25Å; L622-D625 WeakPolarHBondContact CA-OD2 2.97Å; L622-D625 WeakPolarHBondContact CB-OD2 3.38Å; L622-D625 PolarHBondContact N-OD2 3.44Å; L622-D625 VanDerWaalsContact O-CB 3.27Å; L622-D625 WeakPolarHBondContact O-CB 3.41Å; L622-D625 PolarHBondContact O-N 3.38Å; L622-D625 VanDerWaalsContact O-N 3.07Å; L622-V674 VanDerWaalsContact O-CG2 3.26Å; L622-V674 WeakPolarHBondContact O-CG2 3.38Å; L622-G702 CarbonylContact C-O 3.53Å; L622-G702 VanDerWaalsContact CA-O 3.31Å; L622-G702 WeakPolarHBondContact CA-O 3.39Å; L622-R704 HydrophobicContact CB-CG 3.95Å; L622-R704 HydrophobicContact CD1-CG 4.17Å; L622-R704 HydrophobicContact CG-CG 4.49Å
623E95.4Very high95.5Very high70 Ų7071.2 Ų71.233%0.32735%0.353SS..THydrogen-bonded Turntrans-60.2128.4173.9-172.1149.5-125.500110.2V674 T675 K676 I701 G702 R704E623-V674 WeakPolarHBondContact CA-O 3.44Å; E623-T675 WeakPolarHBondContact OE1-CA 3.48Å; E623-K676 PolarHBondContact OE1-N 3.26Å; E623-I701 HydrophobicContact CB-CG2 4.2Å; E623-G702 PolarHBondContact N-O 2.85Å; E623-R704 PolarHBondContact O-NE 3.07Å
624G92.6Very high95.5Very high44 Ų4469.3 Ų69.345%0.45434%0.34SS..THydrogen-bonded Turntrans97.5-12.7-171.100000115.9L622 V674L622-G624 PolarHBondContact O-N 3.25Å; G624-V674 PolarHBondContact N-O 3.13Å
625D95.4Very high95.3Very high44 Ų4465.9 Ų65.924%0.23533%0.326CS..  trans-74.9162.6-178-62.2-2.7000113A621 L622 R673 V674 R704A621-D625 HydrophobicContact CB-CB 4.26Å; L622-D625 WeakPolarHBondContact CA-OD2 2.97Å; L622-D625 WeakPolarHBondContact CB-OD2 3.38Å; L622-D625 PolarHBondContact N-OD2 3.44Å; L622-D625 VanDerWaalsContact O-CB 3.27Å; L622-D625 WeakPolarHBondContact O-CB 3.41Å; L622-D625 PolarHBondContact O-N 3.38Å; L622-D625 VanDerWaalsContact O-N 3.07Å; D625-R673 CarbonylContact O-C 3.51Å; D625-R673 WeakPolarHBondContact O-CA 3.48Å; D625-R673 PolarHBondContact O-N 3.47Å; D625-V674 HydrophobicContact CB-CG2 4.29Å; D625-V674 PolarHBondContact O-N 3.49Å; D625-R704 IonicContact OD1-CZ 3.61Å; D625-R704 IonicContact OD1-NE 2.69Å; D625-R704 IonicContact OD1-NH2 3.65Å; D625-R704 PolarHBondContact OD1-NH2 3.01Å
626T95.7Very high95Very high84 Ų8460.2 Ų60.252%0.51530%0.304SS..  trans-100.8124.5170.4-440000109.7L670 I671 D672T626-L670 HydrophobicContact CG2-CD1 3.67Å; T626-L670 HydrophobicContact CG2-CG 4.43Å; T626-I671 CarbonylContact C-O 3.56Å; T626-I671 WeakPolarHBondContact CA-O 3.4Å; T626-D672 HydrophobicContact CG2-CB 4.27Å; T626-D672 PolarHBondContact OG1-OD1 3.46Å
627I95.8Very high94.7Very high9 Ų961.7 Ų61.75%0.04631%0.314CS..EExtended strand (participates in β ladder)trans-116.1153.9-178.57184.9000113T619 A621 L629 L670 I671 V674 L699T619-I627 HydrophobicContact CG2-CG2 4.45Å; A621-I627 HydrophobicContact CB-CG2 3.46Å; A621-I627 VanDerWaalsContact CB-CG2 3.46Å; I627-L629 HydrophobicContact CD1-CD1 4.3Å; I627-L629 HydrophobicContact CD1-CG 3.88Å; I627-L670 WeakPolarHBondContact O-CA 3.32Å; I627-I671 HydrophobicContact CD1-CB 4.1Å; I627-I671 HydrophobicContact CD1-CD1 4.12Å; I627-I671 HydrophobicContact CD1-CG1 4.04Å; I627-I671 HydrophobicContact CG1-CB 4.07Å; I627-I671 PolarHBondContact N-O 2.83Å; I627-I671 PolarHBondContact O-N 3.33Å; I627-V674 HydrophobicContact CB-CG1 4.29Å; I627-V674 HydrophobicContact CG1-CG1 3.58Å; I627-V674 HydrophobicContact CG2-CG1 3.88Å; I627-V674 HydrophobicContact CG2-CG2 4.43Å; I627-L699 HydrophobicContact CD1-CD1 4.42Å; I627-L699 HydrophobicContact CD1-CD2 3.98Å; I627-L699 HydrophobicContact CG1-CD1 4.18Å; I627-L699 HydrophobicContact CG1-CD2 4.03Å; I627-L699 HydrophobicContact CG2-CD1 4.38Å
628R94.9Very high94.4Very high168 Ų16860.8 Ų60.863%0.63432%0.317SS*.EExtended strand (participates in β ladder)trans-129.1122.2177.8-65.5175.5104.3142.24.5110.2L669 L670R628-L669 WeakPolarHBondContact CA-O 3.29Å; R628-L670 HydrophobicContact CG-CD1 3.51Å
629L95.6Very high94.2Very high2 Ų257 Ų571%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-105.997.3170.4-62176.1000108.3M616 I627 W643 C668 L669 Y682M616-L629 HydrophobicContact SD-CB 4.22Å; I627-L629 HydrophobicContact CD1-CD1 4.3Å; I627-L629 HydrophobicContact CD1-CG 3.88Å; L629-W643 HydrophobicContact CB-CH2 4.35Å; L629-W643 HydrophobicContact CB-CZ3 4.46Å; L629-C668 WeakPolarHBondContact O-CA 3.2Å; L629-L669 HydrophobicContact CB-CB 4.41Å; L629-L669 HydrophobicContact CD1-CD2 4.49Å; L629-L669 PolarHBondContact N-O 2.87Å; L629-L669 PolarHBondContact O-N 2.93Å; L629-Y682 HydrophobicContact CD1-CD1 3.78Å; L629-Y682 HydrophobicContact CD1-CD2 3.8Å; L629-Y682 HydrophobicContact CD1-CE1 4.42Å; L629-Y682 HydrophobicContact CD1-CE2 4.46Å; L629-Y682 HydrophobicContact CD1-CG 3.43Å; L629-Y682 VanDerWaalsContact CD1-CG 3.43Å
630E95.3Very high94.2Very high77 Ų7761.8 Ų61.836%0.3632%0.318SS..EExtended strand (participates in β ladder)trans-103.2141.7-178.9-173.4175.3-175.600112.1M616 Q667 C668M616-E630 WeakPolarHBondContact CA-O 3.4Å; E630-Q667 CarbonylContact C-O 3.58Å; E630-Q667 VanDerWaalsContact CA-O 3.31Å; E630-Q667 WeakPolarHBondContact CA-O 3.29Å; E630-C668 HydrophobicContact CB-CB 4.47Å; E630-C668 HydrophobicContact CG-CB 4.44Å
631C95.4Very high94.1Very high0 Ų053.3 Ų53.30%029%0.289CS..EExtended strand (participates in β ladder)trans-150.9168169.754.80000110.8F612 Q614 M616 R666 Q667F612-C631 HydrophobicContact CD1-CB 4.31Å; Q614-C631 CarbonylContact O-C 3.55Å; Q614-C631 WeakPolarHBondContact O-CA 3.42Å; Q614-C631 WeakPolarHBondContact O-CB 3.26Å; M616-C631 HydrophobicContact CG-CB 3.64Å; C631-R666 WeakPolarHBondContact O-CA 3.45Å; C631-Q667 PolarHBondContact N-O 3.3Å; C631-Q667 PolarHBondContact O-N 3.49Å
632K96.2Very high94.1Very high71 Ų7155.9 Ų55.931%0.30930%0.298SS..EExtended strand (participates in β ladder)trans-130.6127.9177.5-167.7-177.7-175.9-173.60110.5F612 V613 Q614 S664 G665 R666F612-K632 CarbonylContact C-O 3.58Å; F612-K632 WeakPolarHBondContact CA-O 3.33Å; V613-K632 PolarHBondContact N-O 2.79Å; Q614-K632 HydrophobicContact CB-CB 3.77Å; Q614-K632 PolarHBondContact N-O 3.46Å; Q614-K632 PolarHBondContact O-N 2.95Å; K632-S664 WeakPolarHBondContact CE-O 3.36Å; K632-G665 WeakPolarHBondContact CA-O 3.45Å; K632-R666 HydrophobicContact CB-CG 4.13Å; K632-R666 HydrophobicContact CD-CG 4.12Å; K632-R666 HydrophobicContact CG-CG 3.88Å
633V96.3Very high94.1Very high7 Ų753.1 Ų53.14%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-109.9129.5178-168.10000109.6P610 T611 F612 P639 L641 G665 Q667 A686P610-V633 HydrophobicContact CB-CG1 3.95Å; T611-V633 CarbonylContact O-C 3.59Å; T611-V633 WeakPolarHBondContact O-CA 3.32Å; F612-V633 HydrophobicContact CD1-CG2 3.78Å; F612-V633 HydrophobicContact CE1-CG2 3.47Å; F612-V633 VanDerWaalsContact CE1-CG2 3.47Å; F612-V633 HydrophobicContact CZ-CG2 3.95Å; V633-P639 HydrophobicContact CG1-CG 3.94Å; V633-L641 HydrophobicContact CG2-CD2 4.36Å; V633-G665 PolarHBondContact N-O 2.85Å; V633-G665 WeakPolarHBondContact O-CA 3.42Å; V633-Q667 HydrophobicContact CG2-CG 4.47Å; V633-A686 HydrophobicContact CG1-CB 4.02Å
634D94.1Very high94.1Very high59 Ų5953.4 Ų53.432%0.31628%0.282SS..EExtended strand (participates in β ladder)trans-112.3128168.1178.322.2000109.1R608 T611 V613R608-D634 IonicContact CZ-OD1 2.72Å; R608-D634 IonicContact CZ-OD2 3.99Å; R608-D634 VanDerWaalsContact NH1-CG 3.29Å; R608-D634 IonicContact NH1-OD1 3.18Å; R608-D634 PolarHBondContact NH1-OD1 2.52Å; R608-D634 IonicContact NH1-OD2 3.84Å; R608-D634 PolarHBondContact NH1-OD2 3.25Å; R608-D634 IonicContact NH2-OD1 2.63Å; R608-D634 PolarHBondContact NH2-OD1 2.81Å; R608-D634 IonicContact NH2-OD2 2.66Å; T611-D634 PolarHBondContact N-O 3Å; T611-D634 PolarHBondContact O-N 2.76Å; T611-D634 PolarHBondContact OG1-O 2.89Å; V613-D634 HydrophobicContact CG2-CB 3.56Å
635A92Very high94.2Very high15 Ų1553.3 Ų53.312%0.12427%0.269CS..EExtended strand (participates in β ladder)trans-157.4157.4-17900000109.8P610 P637 P639P610-A635 HydrophobicContact CB-CB 4.03Å; P610-A635 HydrophobicContact CG-CB 4.19Å; A635-P637 CarbonylContact C-O 3.53Å; A635-P639 HydrophobicContact CB-CB 4.25Å; A635-P639 HydrophobicContact CB-CG 4.01Å
636S89.6Confident94.1Very high21 Ų2154.7 Ų54.715%0.14728%0.277CS..EExtended strand (participates in β ladder)trans-143119.4170.6172.80000108.9L607 R608 N688L607-S636 CarbonylContact C-O 3.54Å; L607-S636 WeakPolarHBondContact CA-O 3.41Å; R608-S636 PolarHBondContact N-O 3.13Å; R608-S636 PolarHBondContact O-N 2.72Å; R608-S636 VanDerWaalsContact O-O 3.12Å; S636-N688 PolarHBondContact O-ND2 2.88Å
637P89.1Confident93.8Very high40 Ų4059.8 Ų59.826%0.2629%0.292SS..SBendcis-64.1171.6-6.7-2235.1000113.9L607 A635 N688 E689L607-P637 HydrophobicContact CD2-CG 4.47Å; A635-P637 CarbonylContact C-O 3.53Å; P637-N688 PolarHBondContact O-ND2 3.32Å; P637-E689 WeakPolarHBondContact CD-OE1 3.11Å; P637-E689 VanDerWaalsContact CG-OE1 3.23Å; P637-E689 WeakPolarHBondContact CG-OE1 3.14Å
638P90.3Very high93.6Very high115 Ų11565.1 Ų65.175%0.74732%0.32SS*.PPolyproline II helixtrans-54.7139.6176.7-26.836000113.1
639P94.1Very high93.5Very high31 Ų3162.4 Ų62.420%0.20132%0.316CS..PPolyproline II helixtrans-90.5150-17035.2-32.1000113.2P610 V633 A635 L641 A686 I687 N688P610-P639 HydrophobicContact CB-CB 4.21Å; P610-P639 HydrophobicContact CG-CB 3.98Å; V633-P639 HydrophobicContact CG1-CG 3.94Å; A635-P639 HydrophobicContact CB-CB 4.25Å; A635-P639 HydrophobicContact CB-CG 4.01Å; P639-L641 HydrophobicContact CG-CD2 4.2Å; P639-A686 HydrophobicContact CB-CB 4.29Å; P639-A686 HydrophobicContact CG-CB 4.49Å; P639-I687 CarbonylContact C-O 3.53Å; P639-I687 VanDerWaalsContact CA-O 3.29Å; P639-I687 WeakPolarHBondContact CA-O 3.44Å; P639-N688 HydrophobicContact CB-CB 4.41Å
640Q93.8Very high93.4Very high136 Ų13663.2 Ų63.264%0.63632%0.321SS*.EExtended strand (participates in β ladder)trans-73.2144.6161.2-63-173.15.600110.2F642 A686 I687Q640-F642 HydrophobicContact CB-CE2 3.81Å; Q640-F642 HydrophobicContact CB-CZ 4.06Å; Q640-A686 WeakPolarHBondContact O-CA 3.34Å; Q640-I687 PolarHBondContact N-O 2.87Å; Q640-I687 PolarHBondContact O-N 2.94Å
641L94.2Very high93.2Very high39 Ų3970.1 Ų70.120%0.20434%0.343CS..EExtended strand (participates in β ladder)trans-131.3128.7-166.4-68.1176.8000112V633 P639 Q667 L684 S685 A686V633-L641 HydrophobicContact CG2-CD2 4.36Å; P639-L641 HydrophobicContact CG-CD2 4.2Å; L641-Q667 HydrophobicContact CD1-CG 3.83Å; L641-Q667 VanDerWaalsContact CD1-NE2 3.34Å; L641-Q667 VanDerWaalsContact CD1-OE1 3.3Å; L641-L684 HydrophobicContact CB-CD1 4.16Å; L641-L684 HydrophobicContact CD2-CD1 4.29Å; L641-L684 HydrophobicContact CD2-CG 4.5Å; L641-S685 WeakPolarHBondContact CA-O 3.44Å; L641-A686 HydrophobicContact CD2-CB 3.48Å; L641-A686 VanDerWaalsContact CD2-CB 3.48Å
642F94.8Very high93Very high69 Ų6974.2 Ų74.230%0.30336%0.364SS..EExtended strand (participates in β ladder)trans-130.2112.7-174-55-86.5000111.3Q640 M649 L684 S685 I687Q640-F642 HydrophobicContact CB-CE2 3.81Å; Q640-F642 HydrophobicContact CB-CZ 4.06Å; F642-M649 HydrophobicContact CB-SD 4.47Å; F642-M649 HydrophobicContact CD1-CE 4.25Å; F642-L684 WeakPolarHBondContact O-CD1 3.3Å; F642-S685 PolarHBondContact N-O 3.34Å; F642-S685 PolarHBondContact O-N 2.85Å; F642-I687 HydrophobicContact CD2-CD1 4.05Å; F642-I687 HydrophobicContact CD2-CG1 4.32Å; F642-I687 HydrophobicContact CE2-CD1 3.78Å; F642-I687 HydrophobicContact CE2-CG1 4.15Å
643W95.4Very high92.7Very high14 Ų1473.2 Ų73.25%0.05336%0.362CS..EExtended strand (participates in β ladder)trans-88.4135.1175.7-75.686.4000111.7M616 L629 L650 L659 Q667 L669 T683 L684M616-W643 HydrophobicContact CE-CZ3 4.36Å; M616-W643 HydrophobicContact SD-CH2 3.48Å; M616-W643 WeakPolarHBondContact SD-CH2 3.38Å; M616-W643 HydrophobicContact SD-CZ3 3.44Å; M616-W643 WeakPolarHBondContact SD-CZ3 3.36Å; L629-W643 HydrophobicContact CB-CH2 4.35Å; L629-W643 HydrophobicContact CB-CZ3 4.46Å; W643-L650 HydrophobicContact CB-CB 3.82Å; W643-L650 HydrophobicContact CB-CD2 3.76Å; W643-L650 HydrophobicContact CB-CG 4.46Å; W643-L650 HydrophobicContact CE3-CD2 4.5Å; W643-L650 HydrophobicContact CG-CD2 4.3Å; W643-L650 WeakPolarHBondContact O-CB 3.32Å; W643-L650 PolarHBondContact O-N 3.42Å; W643-L659 HydrophobicContact CZ2-CD1 3.96Å; W643-L659 VanDerWaalsContact NE1-CD1 3.28Å; W643-Q667 HydrophobicContact CZ2-CB 4.5Å; W643-L669 HydrophobicContact CD2-CD2 4.47Å; W643-L669 HydrophobicContact CE3-CB 4.31Å; W643-L669 HydrophobicContact CE3-CD2 3.8Å; W643-L669 HydrophobicContact CH2-CB 3.58Å; W643-L669 HydrophobicContact CH2-CD2 4.41Å; W643-L669 HydrophobicContact CZ2-CB 3.91Å; W643-L669 HydrophobicContact CZ3-CB 3.8Å; W643-L669 HydrophobicContact CZ3-CD2 3.76Å; W643-L669 HydrophobicContact CZ3-CG 4.46Å; W643-T683 CarbonylContact C-O 3.48Å; W643-L684 HydrophobicContact CD2-CB 4.37Å; W643-L684 HydrophobicContact CD2-CD1 4.14Å; W643-L684 HydrophobicContact CE3-CB 4.49Å; W643-L684 HydrophobicContact CG-CD1 3.98Å; W643-L684 HydrophobicContact CZ2-CD2 3.86Å
644K95.4Very high92.4Very high76 Ų7678.4 Ų78.433%0.3340%0.396SS..EExtended strand (participates in β ladder)trans-129.4146.1177-65.5172.5-175.9166.40110.5D648 M649 Y682 T683K644-D648 CarbonylContact C-O 3.57Å; K644-D648 WeakPolarHBondContact CA-O 3.25Å; K644-D648 VanDerWaalsContact CB-O 3.23Å; K644-D648 WeakPolarHBondContact CB-O 3.42Å; K644-M649 HydrophobicContact CG-SD 4.48Å; K644-Y682 WeakPolarHBondContact O-CA 3.17Å; K644-T683 PolarHBondContact N-O 3.13Å; K644-T683 PolarHBondContact O-N 3.03Å
645K95.3Very high92.3Very high42 Ų4282.8 Ų82.818%0.18342%0.419CS..EExtended strand (participates in β ladder)trans-114.3123.5167.9-172.6-177-177-69.60109.2K647 D648 L650 S677 D678 S679 Y682K645-K647 VanDerWaalsContact C-N 3.27Å; K645-K647 PolarHBondContact O-N 2.83Å; K645-D648 PolarHBondContact N-O 2.93Å; K645-D648 PolarHBondContact O-N 3.38Å; K645-L650 HydrophobicContact CB-CD1 4.05Å; K645-S677 PolarHBondContact NZ-O 2.91Å; K645-D678 VanDerWaalsContact CE-C 3.49Å; K645-D678 WeakPolarHBondContact CE-O 3.49Å; K645-S679 PolarHBondContact NZ-O 2.81Å; K645-Y682 HydrophobicContact CD-CE1 4.45Å; K645-Y682 HydrophobicContact CD-CE2 4.35Å; K645-Y682 HydrophobicContact CG-CE1 4.4Å; K645-Y682 HydrophobicContact CG-CE2 4.28Å
646D92.4Very high92.4Very high74 Ų7484.5 Ų84.540%0.39642%0.423SS..THydrogen-bonded Turntrans57-73.2-175.4-61.7-66.9000113.7G680 W681 R698D646-G680 VanDerWaalsContact OD1-CA 3.28Å; D646-G680 WeakPolarHBondContact OD1-CA 3.31Å; D646-G680 WeakPolarHBondContact OD2-CA 3.36Å; D646-W681 PolarHBondContact N-O 2.89Å; D646-W681 PolarHBondContact OD1-N 3.47Å; D646-R698 IonicContact OD1-NH1 3.8Å
647K89.5Confident92.6Very high191 Ų19184.3 Ų84.383%0.8342%0.42SS*.THydrogen-bonded Turntrans-134.2-19.9172.3-66.9-177-179.31770113.9K645K645-K647 VanDerWaalsContact C-N 3.27Å; K645-K647 PolarHBondContact O-N 2.83Å
648D92.6Very high92.8Very high120 Ų12084 Ų8464%0.64242%0.419SS*.EExtended strand (participates in β ladder)trans-93.8159.9-173.4-65.8-51.8000111.9K644 K645 L650K644-D648 CarbonylContact C-O 3.57Å; K644-D648 WeakPolarHBondContact CA-O 3.25Å; K644-D648 VanDerWaalsContact CB-O 3.23Å; K644-D648 WeakPolarHBondContact CB-O 3.42Å; K645-D648 PolarHBondContact N-O 2.93Å; K645-D648 PolarHBondContact O-N 3.38Å; D648-L650 PolarHBondContact O-N 2.81Å
649M93.3Very high93Very high112 Ų11281.3 Ų81.355%0.55240%0.398SS*.EExtended strand (participates in β ladder)trans-60134.6169.9-165.868.97600109.7F642 K644 R651F642-M649 HydrophobicContact CB-SD 4.47Å; F642-M649 HydrophobicContact CD1-CE 4.25Å; K644-M649 HydrophobicContact CG-SD 4.48Å; M649-R651 PolarHBondContact O-N 3.41Å; M649-R651 VanDerWaalsContact O-N 3.1Å
650L93.1Very high92.9Very high19 Ų1985.9 Ų85.910%0.09941%0.412CS..  trans-61.7115.8-177.9177.566.7000110W643 K645 D648 I652 M657 L669 Y682W643-L650 HydrophobicContact CB-CB 3.82Å; W643-L650 HydrophobicContact CB-CD2 3.76Å; W643-L650 HydrophobicContact CB-CG 4.46Å; W643-L650 HydrophobicContact CE3-CD2 4.5Å; W643-L650 HydrophobicContact CG-CD2 4.3Å; W643-L650 WeakPolarHBondContact O-CB 3.32Å; W643-L650 PolarHBondContact O-N 3.42Å; K645-L650 HydrophobicContact CB-CD1 4.05Å; D648-L650 PolarHBondContact O-N 2.81Å; L650-I652 HydrophobicContact CD2-CG1 4.46Å; L650-I652 HydrophobicContact CG-CG1 4.46Å; L650-I652 PolarHBondContact O-N 2.79Å; L650-M657 HydrophobicContact CD1-SD 4.37Å; L650-L669 HydrophobicContact CD2-CD1 4.02Å; L650-L669 HydrophobicContact CD2-CD2 3.53Å; L650-L669 HydrophobicContact CD2-CG 4.44Å; L650-Y682 HydrophobicContact CD1-CD1 4.49Å; L650-Y682 HydrophobicContact CD1-CE1 3.86Å
651R90.4Very high92.7Very high221 Ų22184.9 Ų84.983%0.83441%0.407SS*.  trans-80.2102.4170-66-179.1-178.7166.42.2108.3M649 D653M649-R651 PolarHBondContact O-N 3.41Å; M649-R651 VanDerWaalsContact O-N 3.1Å; R651-D653 PolarHBondContact O-N 3.32Å
652I90.7Very high92.1Very high86 Ų8685.7 Ų85.744%0.44141%0.412SS..  trans-69.6116.6174.3-58.5176.6000108.1L650 P654 M657L650-I652 HydrophobicContact CD2-CG1 4.46Å; L650-I652 HydrophobicContact CG-CG1 4.46Å; L650-I652 PolarHBondContact O-N 2.79Å; I652-P654 WeakPolarHBondContact O-CD 3.32Å; I652-M657 HydrophobicContact CG2-CB 3.88Å; I652-M657 WeakPolarHBondContact CG2-O 3.34Å
653D91.4Very high91.5Very high51 Ų5187.1 Ų87.127%0.27345%0.446SS..  trans-79.6110.2166174.1-2.2000108.7R651 N655 R656 M657R651-D653 PolarHBondContact O-N 3.32Å; D653-N655 PolarHBondContact O-N 2.96Å; D653-N655 WeakPolarHBondContact OD1-CB 3.26Å; D653-N655 PolarHBondContact OD1-N 3.08Å; D653-R656 HydrophobicContact CB-CB 4.45Å; D653-R656 PolarHBondContact O-N 3.29Å; D653-R656 VanDerWaalsContact O-N 3.09Å; D653-R656 WeakPolarHBondContact OD2-CD 3.48Å; D653-R656 IonicContact OD2-NH1 2.8Å; D653-M657 HydrophobicContact CB-CG 4.26Å; D653-M657 WeakPolarHBondContact O-CB 3.32Å; D653-M657 PolarHBondContact O-N 2.94Å
654P89.9Confident91Very high116 Ų11689 Ų8975%0.75346%0.461SS*.THydrogen-bonded Turntrans-62.8-17.8-174.2-22.734.9000114.5I652I652-P654 WeakPolarHBondContact O-CD 3.32Å
655N90.8Very high90.5Very high150 Ų15086.2 Ų86.280%0.80245%0.454SS*.THydrogen-bonded Turntrans-87.3-12.6-179.4-59.8-44.4000113.2D653D653-N655 PolarHBondContact O-N 2.96Å; D653-N655 WeakPolarHBondContact OD1-CB 3.26Å; D653-N655 PolarHBondContact OD1-N 3.08Å
656R93.4Very high90.5Very high51 Ų5189.8 Ų89.819%0.19247%0.466CS..THydrogen-bonded Turntrans-138.4-27.9-171.1-70.1178.556.5-121-0.4114.5D653 I671 D672 R673 D678D653-R656 HydrophobicContact CB-CB 4.45Å; D653-R656 PolarHBondContact O-N 3.29Å; D653-R656 VanDerWaalsContact O-N 3.09Å; D653-R656 WeakPolarHBondContact OD2-CD 3.48Å; D653-R656 IonicContact OD2-NH1 2.8Å; R656-I671 CarbonylContact O-C 3.54Å; R656-I671 WeakPolarHBondContact O-CA 3.49Å; R656-D672 PolarHBondContact NE-O 2.99Å; R656-D672 PolarHBondContact NH2-O 3.16Å; R656-D672 PolarHBondContact O-N 3.4Å; R656-R673 PolarHBondContact NE-O 2.7Å; R656-R673 PolarHBondContact NH2-O 2.92Å; R656-D678 IonicContact CZ-OD2 3.37Å; R656-D678 IonicContact NH1-OD1 3.65Å; R656-D678 IonicContact NH1-OD2 4Å; R656-D678 IonicContact NH2-OD1 3.07Å; R656-D678 IonicContact NH2-OD2 2.75Å; R656-D678 PolarHBondContact NH2-OD2 3.21Å
657M95.4Very high90.6Very high17 Ų1786.6 Ų86.68%0.08445%0.449CS..EExtended strand (participates in β ladder)trans-112.5131.6-175.2-61.2-172.8-172.100110.6L650 I652 D653 L670 I671 D678L650-M657 HydrophobicContact CD1-SD 4.37Å; I652-M657 HydrophobicContact CG2-CB 3.88Å; I652-M657 WeakPolarHBondContact CG2-O 3.34Å; D653-M657 HydrophobicContact CB-CG 4.26Å; D653-M657 WeakPolarHBondContact O-CB 3.32Å; D653-M657 PolarHBondContact O-N 2.94Å; M657-L670 WeakPolarHBondContact CA-O 3.49Å; M657-I671 HydrophobicContact CE-CD1 4.23Å; M657-I671 HydrophobicContact CE-CG2 4.14Å; M657-I671 HydrophobicContact CG-CB 4.45Å; M657-I671 HydrophobicContact CG-CG1 4.08Å; M657-I671 HydrophobicContact CG-CG2 4.01Å; M657-I671 HydrophobicContact SD-CD1 4.37Å; M657-D678 VanDerWaalsContact CE-OD1 3.23Å; M657-D678 WeakPolarHBondContact CE-OD1 3.42Å
658S93.6Very high90.8Very high35 Ų3578.1 Ų78.125%0.24541%0.414CS..EExtended strand (participates in β ladder)trans-136.1136.2174.543.60000110.5Y660 L670S658-Y660 WeakPolarHBondContact OG-CE2 3.46Å; S658-L670 PolarHBondContact N-O 2.9Å; S658-L670 PolarHBondContact O-N 3.43Å
659L93.3Very high91Very high58 Ų5872.5 Ų72.530%0.30438%0.384SS..EExtended strand (participates in β ladder)trans-108.1121.9178.1177.361.8000109.2W643 Q661W643-L659 HydrophobicContact CZ2-CD1 3.96Å; W643-L659 VanDerWaalsContact NE1-CD1 3.28Å; L659-Q661 HydrophobicContact CG-CG 4.33Å
660Y91.8Very high91.1Very high126 Ų12668.7 Ų68.749%0.49437%0.366SS..EExtended strand (participates in β ladder)trans-107.9132.7175.7-59.8-84.6000110S658 Q667 C668 L670S658-Y660 WeakPolarHBondContact OG-CE2 3.46Å; Y660-Q667 WeakPolarHBondContact O-CA 3.43Å; Y660-C668 PolarHBondContact N-O 3.25Å; Y660-C668 PolarHBondContact O-N 2.9Å; Y660-L670 HydrophobicContact CD2-CB 4.42Å; Y660-L670 HydrophobicContact CE2-CB 3.99Å; Y660-L670 HydrophobicContact CE2-CD2 3.97Å
661Q89.3Confident91.2Very high116 Ų11667.8 Ų67.854%0.54236%0.361SS..EExtended strand (participates in β ladder)trans-126138.3175.7-50-160.9-4800107.8L659 R666 Q667L659-Q661 HydrophobicContact CG-CG 4.33Å; Q661-R666 WeakPolarHBondContact CA-O 3.4Å; Q661-Q667 VanDerWaalsContact CG-OE1 3.3Å
662D83.3Confident91.5Very high55 Ų5559.7 Ų59.729%0.29433%0.334SS..  trans-119.8159.2170.786.15000112.8S664 G665 R666D662-S664 PolarHBondContact O-N 3.01Å; D662-S664 VanDerWaalsContact OD1-CA 3.27Å; D662-S664 WeakPolarHBondContact OD1-CA 3.3Å; D662-S664 WeakPolarHBondContact OD1-CB 3.34Å; D662-S664 PolarHBondContact OD1-N 3.49Å; D662-S664 PolarHBondContact OD1-OG 2.83Å; D662-S664 PolarHBondContact OD2-OG 3.41Å; D662-S664 VanDerWaalsContact OD2-OG 3.06Å; D662-G665 PolarHBondContact O-N 2.74Å; D662-G665 PolarHBondContact OD1-N 2.82Å; D662-G665 VanDerWaalsContact OD1-N 3.15Å; D662-R666 PolarHBondContact N-O 2.83Å; D662-R666 VanDerWaalsContact N-O 3.08Å; D662-R666 PolarHBondContact OD1-N 3.25Å; D662-R666 IonicContact OD1-NE 3.84Å; D662-R666 IonicContact OD2-CZ 3.61Å; D662-R666 IonicContact OD2-NE 2.72Å; D662-R666 PolarHBondContact OD2-NE 2.98Å; D662-R666 IonicContact OD2-NH2 3.86Å; D662-R666 PolarHBondContact OD2-NH2 3.4Å
663G80.4Confident91.6Very high99 Ų9963.8 Ų63.8100%1.02134%0.344SS*.THydrogen-bonded Turntrans-67.50.5177.600000114.8
664S84.8Confident91.8Very high53 Ų5361.4 Ų61.437%0.37133%0.331SS..THydrogen-bonded Turntrans-97.62.2171.284.70000112.8K632 D662K632-S664 WeakPolarHBondContact CE-O 3.36Å; D662-S664 PolarHBondContact O-N 3.01Å; D662-S664 VanDerWaalsContact OD1-CA 3.27Å; D662-S664 WeakPolarHBondContact OD1-CA 3.3Å; D662-S664 WeakPolarHBondContact OD1-CB 3.34Å; D662-S664 PolarHBondContact OD1-N 3.49Å; D662-S664 PolarHBondContact OD1-OG 2.83Å; D662-S664 PolarHBondContact OD2-OG 3.41Å; D662-S664 VanDerWaalsContact OD2-OG 3.06Å
665G86.5Confident92Very high18 Ų1858.1 Ų58.119%0.18631%0.309CS..SBendtrans86.98.9-179.700000114.6K632 V633 D662K632-G665 WeakPolarHBondContact CA-O 3.45Å; V633-G665 PolarHBondContact N-O 2.85Å; V633-G665 WeakPolarHBondContact O-CA 3.42Å; D662-G665 PolarHBondContact O-N 2.74Å; D662-G665 PolarHBondContact OD1-N 2.82Å; D662-G665 VanDerWaalsContact OD1-N 3.15Å
666R93.9Very high92.1Very high117 Ų11757.8 Ų57.844%0.44230%0.301SS..EExtended strand (participates in β ladder)trans-75.6144.6172-73-179.1-67.7-164.5-1.6111.2C631 K632 Q661 D662C631-R666 WeakPolarHBondContact O-CA 3.45Å; K632-R666 HydrophobicContact CB-CG 4.13Å; K632-R666 HydrophobicContact CD-CG 4.12Å; K632-R666 HydrophobicContact CG-CG 3.88Å; Q661-R666 WeakPolarHBondContact CA-O 3.4Å; D662-R666 PolarHBondContact N-O 2.83Å; D662-R666 VanDerWaalsContact N-O 3.08Å; D662-R666 PolarHBondContact OD1-N 3.25Å; D662-R666 IonicContact OD1-NE 3.84Å; D662-R666 IonicContact OD2-CZ 3.61Å; D662-R666 IonicContact OD2-NE 2.72Å; D662-R666 PolarHBondContact OD2-NE 2.98Å; D662-R666 IonicContact OD2-NH2 3.86Å; D662-R666 PolarHBondContact OD2-NH2 3.4Å
667Q94.9Very high92Very high7 Ų760.2 Ų60.23%0.03333%0.325CS..EExtended strand (participates in β ladder)trans-138.7114.3-172.2-64.4-62.3-50.600108.2E630 C631 V633 L641 W643 Y660 Q661 L684E630-Q667 CarbonylContact C-O 3.58Å; E630-Q667 VanDerWaalsContact CA-O 3.31Å; E630-Q667 WeakPolarHBondContact CA-O 3.29Å; C631-Q667 PolarHBondContact N-O 3.3Å; C631-Q667 PolarHBondContact O-N 3.49Å; V633-Q667 HydrophobicContact CG2-CG 4.47Å; L641-Q667 HydrophobicContact CD1-CG 3.83Å; L641-Q667 VanDerWaalsContact CD1-NE2 3.34Å; L641-Q667 VanDerWaalsContact CD1-OE1 3.3Å; W643-Q667 HydrophobicContact CZ2-CB 4.5Å; Y660-Q667 WeakPolarHBondContact O-CA 3.43Å; Q661-Q667 VanDerWaalsContact CG-OE1 3.3Å; Q667-L684 HydrophobicContact CB-CD2 4.02Å; Q667-L684 HydrophobicContact CG-CD2 4.15Å
668C94.7Very high91.9Very high14 Ų1459.9 Ų59.910%0.09532%0.324CS..EExtended strand (participates in β ladder)trans-127.7113.1-178171.70000110.3L629 E630 Y660L629-C668 WeakPolarHBondContact O-CA 3.2Å; E630-C668 HydrophobicContact CB-CB 4.47Å; E630-C668 HydrophobicContact CG-CB 4.44Å; Y660-C668 PolarHBondContact N-O 3.25Å; Y660-C668 PolarHBondContact O-N 2.9Å
669L95.5Very high92Very high1 Ų159.8 Ų59.81%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-88.1114.9165.2174.662.5000109R628 L629 W643 L650 I671 Y682R628-L669 WeakPolarHBondContact CA-O 3.29Å; L629-L669 HydrophobicContact CB-CB 4.41Å; L629-L669 HydrophobicContact CD1-CD2 4.49Å; L629-L669 PolarHBondContact N-O 2.87Å; L629-L669 PolarHBondContact O-N 2.93Å; W643-L669 HydrophobicContact CD2-CD2 4.47Å; W643-L669 HydrophobicContact CE3-CB 4.31Å; W643-L669 HydrophobicContact CE3-CD2 3.8Å; W643-L669 HydrophobicContact CH2-CB 3.58Å; W643-L669 HydrophobicContact CH2-CD2 4.41Å; W643-L669 HydrophobicContact CZ2-CB 3.91Å; W643-L669 HydrophobicContact CZ3-CB 3.8Å; W643-L669 HydrophobicContact CZ3-CD2 3.76Å; W643-L669 HydrophobicContact CZ3-CG 4.46Å; L650-L669 HydrophobicContact CD2-CD1 4.02Å; L650-L669 HydrophobicContact CD2-CD2 3.53Å; L650-L669 HydrophobicContact CD2-CG 4.44Å; L669-I671 HydrophobicContact CD1-CG1 4.32Å; L669-I671 HydrophobicContact CD2-CD1 4.2Å; L669-I671 HydrophobicContact CD2-CG1 4.43Å; L669-I671 HydrophobicContact CG-CD1 4.37Å; L669-I671 HydrophobicContact CG-CG1 4.06Å; L669-Y682 HydrophobicContact CD2-CD1 3.64Å; L669-Y682 HydrophobicContact CD2-CE1 3.71Å
670L95.7Very high92.1Very high32 Ų3257 Ų5717%0.16831%0.309CS..EExtended strand (participates in β ladder)trans-97.2129.9171.9179.572.3000108.5T626 I627 R628 M657 S658 Y660T626-L670 HydrophobicContact CG2-CD1 3.67Å; T626-L670 HydrophobicContact CG2-CG 4.43Å; I627-L670 WeakPolarHBondContact O-CA 3.32Å; R628-L670 HydrophobicContact CG-CD1 3.51Å; M657-L670 WeakPolarHBondContact CA-O 3.49Å; S658-L670 PolarHBondContact N-O 2.9Å; S658-L670 PolarHBondContact O-N 3.43Å; Y660-L670 HydrophobicContact CD2-CB 4.42Å; Y660-L670 HydrophobicContact CE2-CB 3.99Å; Y660-L670 HydrophobicContact CE2-CD2 3.97Å
671I96.1Very high92.4Very high0 Ų056.9 Ų56.90%031%0.308CS..EExtended strand (participates in β ladder)trans-125.6118.6172.6-49.5-177.6000108.4T626 I627 R656 M657 L669 V674 Y682T626-I671 CarbonylContact C-O 3.56Å; T626-I671 WeakPolarHBondContact CA-O 3.4Å; I627-I671 HydrophobicContact CD1-CB 4.1Å; I627-I671 HydrophobicContact CD1-CD1 4.12Å; I627-I671 HydrophobicContact CD1-CG1 4.04Å; I627-I671 HydrophobicContact CG1-CB 4.07Å; I627-I671 PolarHBondContact N-O 2.83Å; I627-I671 PolarHBondContact O-N 3.33Å; R656-I671 CarbonylContact O-C 3.54Å; R656-I671 WeakPolarHBondContact O-CA 3.49Å; M657-I671 HydrophobicContact CE-CD1 4.23Å; M657-I671 HydrophobicContact CE-CG2 4.14Å; M657-I671 HydrophobicContact CG-CB 4.45Å; M657-I671 HydrophobicContact CG-CG1 4.08Å; M657-I671 HydrophobicContact CG-CG2 4.01Å; M657-I671 HydrophobicContact SD-CD1 4.37Å; L669-I671 HydrophobicContact CD1-CG1 4.32Å; L669-I671 HydrophobicContact CD2-CD1 4.2Å; L669-I671 HydrophobicContact CD2-CG1 4.43Å; L669-I671 HydrophobicContact CG-CD1 4.37Å; L669-I671 HydrophobicContact CG-CG1 4.06Å; I671-V674 HydrophobicContact CB-CG1 4.22Å; I671-V674 HydrophobicContact CG2-CG1 3.96Å; I671-Y682 HydrophobicContact CD1-CE1 3.84Å; I671-Y682 WeakPolarHBondContact CD1-OH 3.32Å
672D95.6Very high92.7Very high51 Ų5151.4 Ų51.427%0.27328%0.282SS..SBendtrans-92.5147.3177.3-168.539.4000112.8T626 R656 V674T626-D672 HydrophobicContact CG2-CB 4.27Å; T626-D672 PolarHBondContact OG1-OD1 3.46Å; R656-D672 PolarHBondContact NE-O 2.99Å; R656-D672 PolarHBondContact NH2-O 3.16Å; R656-D672 PolarHBondContact O-N 3.4Å; D672-V674 PolarHBondContact O-N 3.11Å
673R93.5Very high93.3Very high172 Ų17249.6 Ų49.665%0.64927%0.273SS*.SBendtrans4762.5-178.7-58.9169-163.1-149.8-2.9111.5D625 R656 T675D625-R673 CarbonylContact O-C 3.51Å; D625-R673 WeakPolarHBondContact O-CA 3.48Å; D625-R673 PolarHBondContact O-N 3.47Å; R656-R673 PolarHBondContact NE-O 2.7Å; R656-R673 PolarHBondContact NH2-O 2.92Å; R673-T675 PolarHBondContact O-N 3.45Å
674V95.1Very high94.1Very high1 Ų144.9 Ų44.91%0.00623%0.225CC..  trans-58.9136.8-175.5-61.40000111.3A621 L622 E623 G624 D625 I627 I671 D672 I701A621-V674 HydrophobicContact CB-CG2 4.17Å; L622-V674 VanDerWaalsContact O-CG2 3.26Å; L622-V674 WeakPolarHBondContact O-CG2 3.38Å; E623-V674 WeakPolarHBondContact CA-O 3.44Å; G624-V674 PolarHBondContact N-O 3.13Å; D625-V674 HydrophobicContact CB-CG2 4.29Å; D625-V674 PolarHBondContact O-N 3.49Å; I627-V674 HydrophobicContact CB-CG1 4.29Å; I627-V674 HydrophobicContact CG1-CG1 3.58Å; I627-V674 HydrophobicContact CG2-CG1 3.88Å; I627-V674 HydrophobicContact CG2-CG2 4.43Å; I671-V674 HydrophobicContact CB-CG1 4.22Å; I671-V674 HydrophobicContact CG2-CG1 3.96Å; D672-V674 PolarHBondContact O-N 3.11Å; V674-I701 HydrophobicContact CB-CD1 3.8Å; V674-I701 HydrophobicContact CG2-CD1 3.99Å; V674-I701 HydrophobicContact CG2-CG1 4.23Å; V674-I701 HydrophobicContact CG2-CG2 4.29Å
675T93.9Very high94.6Very high48 Ų4842.8 Ų42.829%0.29421%0.21SC..  trans-111.8158.9178.867.70000109.5E623 R673 S677 D678 I701E623-T675 WeakPolarHBondContact OE1-CA 3.48Å; R673-T675 PolarHBondContact O-N 3.45Å; T675-S677 PolarHBondContact O-N 2.63Å; T675-D678 WeakPolarHBondContact CA-OD2 3.19Å; T675-D678 WeakPolarHBondContact CB-OD2 3.26Å; T675-D678 PolarHBondContact N-OD2 2.67Å; T675-D678 WeakPolarHBondContact O-CB 3.38Å; T675-D678 PolarHBondContact O-N 3.31Å; T675-D678 PolarHBondContact OG1-OD2 3.49Å; T675-I701 WeakPolarHBondContact O-CD1 3.31Å
676K92.9Very high95.1Very high143 Ų14341.9 Ų41.962%0.62220%0.201SC*.G310 helixtrans-51.2-28.1178-167.7172.8-178.1176.40114.2E623 D678 S679E623-K676 PolarHBondContact OE1-N 3.26Å; K676-D678 VanDerWaalsContact C-N 3.33Å; K676-D678 PolarHBondContact O-N 3.33Å; K676-S679 VanDerWaalsContact O-CB 3.3Å; K676-S679 WeakPolarHBondContact O-CB 3.13Å; K676-S679 PolarHBondContact O-N 3.14Å
677S92.4Very high95.1Very high101 Ų10139.3 Ų39.371%0.70620%0.195SC*.G310 helixtrans-68.9-24.3176-57.30000114.5K645 T675 S679K645-S677 PolarHBondContact NZ-O 2.91Å; T675-S677 PolarHBondContact O-N 2.63Å; S677-S679 VanDerWaalsContact C-N 3.26Å; S677-S679 PolarHBondContact O-N 3.1Å
678D93.1Very high95.1Very high10 Ų1039.9 Ų39.95%0.05320%0.198CC..G310 helixtrans-77.2-14.5178.9-57.2-66.8000111.9K645 R656 M657 T675 K676 G680 Y682 I701K645-D678 VanDerWaalsContact CE-C 3.49Å; K645-D678 WeakPolarHBondContact CE-O 3.49Å; R656-D678 IonicContact CZ-OD2 3.37Å; R656-D678 IonicContact NH1-OD1 3.65Å; R656-D678 IonicContact NH1-OD2 4Å; R656-D678 IonicContact NH2-OD1 3.07Å; R656-D678 IonicContact NH2-OD2 2.75Å; R656-D678 PolarHBondContact NH2-OD2 3.21Å; M657-D678 VanDerWaalsContact CE-OD1 3.23Å; M657-D678 WeakPolarHBondContact CE-OD1 3.42Å; T675-D678 WeakPolarHBondContact CA-OD2 3.19Å; T675-D678 WeakPolarHBondContact CB-OD2 3.26Å; T675-D678 PolarHBondContact N-OD2 2.67Å; T675-D678 WeakPolarHBondContact O-CB 3.38Å; T675-D678 PolarHBondContact O-N 3.31Å; T675-D678 PolarHBondContact OG1-OD2 3.49Å; K676-D678 VanDerWaalsContact C-N 3.33Å; K676-D678 PolarHBondContact O-N 3.33Å; D678-G680 PolarHBondContact O-N 2.96Å; D678-Y682 WeakPolarHBondContact O-CE2 3.39Å; D678-Y682 PolarHBondContact O-OH 3.26Å; D678-Y682 VanDerWaalsContact O-OH 3.09Å; D678-I701 HydrophobicContact CB-CD1 3.81Å
679S95.4Very high95Very high34 Ų3446.1 Ų46.124%0.23823%0.226CC..  trans-57.7128.9172.8-179.30000110.7K645 K676 S677 R698 L699K645-S679 PolarHBondContact NZ-O 2.81Å; K676-S679 VanDerWaalsContact O-CB 3.3Å; K676-S679 WeakPolarHBondContact O-CB 3.13Å; K676-S679 PolarHBondContact O-N 3.14Å; S677-S679 VanDerWaalsContact C-N 3.26Å; S677-S679 PolarHBondContact O-N 3.1Å; S679-R698 PolarHBondContact OG-NH2 3.4Å; S679-L699 CarbonylContact C-O 3.59Å; S679-L699 WeakPolarHBondContact CA-O 3.5Å; S679-L699 PolarHBondContact OG-O 3.15Å
680G95.5Very high94.6Very high0 Ų047.9 Ų47.90%024%0.241CC..EExtended strand (participates in β ladder)trans171.7173.5-167.600000115.2D646 D678 R698 L699D646-G680 VanDerWaalsContact OD1-CA 3.28Å; D646-G680 WeakPolarHBondContact OD1-CA 3.31Å; D646-G680 WeakPolarHBondContact OD2-CA 3.36Å; D678-G680 PolarHBondContact O-N 2.96Å; G680-R698 VanDerWaalsContact CA-NH1 3.29Å; G680-L699 PolarHBondContact N-O 3.34Å; G680-L699 PolarHBondContact O-N 3.14Å
681W97Very high94.5Very high123 Ų12347.6 Ų47.647%0.46625%0.246SC..EExtended strand (participates in β ladder)trans-91.1111.4167.7-73.2101.2000110.6D646 A697 R698D646-W681 PolarHBondContact N-O 2.89Å; D646-W681 PolarHBondContact OD1-N 3.47Å; W681-A697 CarbonylContact C-O 3.6Å; W681-A697 WeakPolarHBondContact CA-O 3.47Å; W681-R698 HydrophobicContact CD2-CB 4.35Å; W681-R698 HydrophobicContact CE3-CB 3.95Å; W681-R698 HydrophobicContact CH2-CB 4.03Å; W681-R698 HydrophobicContact CZ2-CB 4.4Å; W681-R698 HydrophobicContact CZ3-CB 3.79Å
682Y96.9Very high94.5Very high0 Ų053.6 Ų53.60%028%0.275CS..EExtended strand (participates in β ladder)trans-88.6126174.1-74.1-100.4000109.3M616 L629 K644 K645 L650 L669 I671 D678 N696 A697 L699M616-Y682 WeakPolarHBondContact CE-O 3.29Å; L629-Y682 HydrophobicContact CD1-CD1 3.78Å; L629-Y682 HydrophobicContact CD1-CD2 3.8Å; L629-Y682 HydrophobicContact CD1-CE1 4.42Å; L629-Y682 HydrophobicContact CD1-CE2 4.46Å; L629-Y682 HydrophobicContact CD1-CG 3.43Å; L629-Y682 VanDerWaalsContact CD1-CG 3.43Å; K644-Y682 WeakPolarHBondContact O-CA 3.17Å; K645-Y682 HydrophobicContact CD-CE1 4.45Å; K645-Y682 HydrophobicContact CD-CE2 4.35Å; K645-Y682 HydrophobicContact CG-CE1 4.4Å; K645-Y682 HydrophobicContact CG-CE2 4.28Å; L650-Y682 HydrophobicContact CD1-CD1 4.49Å; L650-Y682 HydrophobicContact CD1-CE1 3.86Å; L669-Y682 HydrophobicContact CD2-CD1 3.64Å; L669-Y682 HydrophobicContact CD2-CE1 3.71Å; I671-Y682 HydrophobicContact CD1-CE1 3.84Å; I671-Y682 WeakPolarHBondContact CD1-OH 3.32Å; D678-Y682 WeakPolarHBondContact O-CE2 3.39Å; D678-Y682 PolarHBondContact O-OH 3.26Å; D678-Y682 VanDerWaalsContact O-OH 3.09Å; Y682-N696 CarbonylContact O-C 3.58Å; Y682-N696 WeakPolarHBondContact O-CA 3.4Å; Y682-A697 PolarHBondContact N-O 3.37Å; Y682-A697 PolarHBondContact O-N 2.96Å; Y682-L699 HydrophobicContact CD2-CB 3.96Å; Y682-L699 HydrophobicContact CE2-CB 3.84Å; Y682-L699 HydrophobicContact CE2-CD2 3.82Å; Y682-L699 HydrophobicContact CE2-CG 4.47Å
683T96.3Very high94.5Very high18 Ų1853 Ų5311%0.1128%0.275CS..EExtended strand (participates in β ladder)trans-126.5125-178-54.60000109.9W643 K644 C695 N696W643-T683 CarbonylContact C-O 3.48Å; K644-T683 PolarHBondContact N-O 3.13Å; K644-T683 PolarHBondContact O-N 3.03Å; T683-C695 CarbonylContact C-O 3.53Å; T683-C695 VanDerWaalsContact CA-O 3.31Å; T683-C695 WeakPolarHBondContact CA-O 3.5Å; T683-N696 WeakPolarHBondContact CG2-ND2 3.45Å; T683-N696 PolarHBondContact OG1-ND2 3.29Å
684L96.1Very high94.7Very high0 Ų048.3 Ų48.30%027%0.266CS..EExtended strand (participates in β ladder)trans-105.8120.4170.3179.952.7000109.2F612 M616 L641 F642 W643 Q667 T694 C695F612-L684 HydrophobicContact CE1-CB 4.39Å; F612-L684 HydrophobicContact CE1-CD2 4.04Å; F612-L684 HydrophobicContact CE1-CG 4.17Å; F612-L684 HydrophobicContact CZ-CB 4.35Å; F612-L684 HydrophobicContact CZ-CD2 4.41Å; F612-L684 HydrophobicContact CZ-CG 4.08Å; F612-L684 WeakPolarHBondContact CZ-O 3.44Å; M616-L684 HydrophobicContact CE-CB 4.01Å; L641-L684 HydrophobicContact CB-CD1 4.16Å; L641-L684 HydrophobicContact CD2-CD1 4.29Å; L641-L684 HydrophobicContact CD2-CG 4.5Å; F642-L684 WeakPolarHBondContact O-CD1 3.3Å; W643-L684 HydrophobicContact CD2-CB 4.37Å; W643-L684 HydrophobicContact CD2-CD1 4.14Å; W643-L684 HydrophobicContact CE3-CB 4.49Å; W643-L684 HydrophobicContact CG-CD1 3.98Å; W643-L684 HydrophobicContact CZ2-CD2 3.86Å; Q667-L684 HydrophobicContact CB-CD2 4.02Å; Q667-L684 HydrophobicContact CG-CD2 4.15Å; L684-T694 WeakPolarHBondContact O-CA 3.4Å; L684-C695 PolarHBondContact N-O 3.19Å; L684-C695 PolarHBondContact O-N 3.02Å
685S95.8Very high94.7Very high8 Ų848.5 Ų48.56%0.05627%0.267CS..EExtended strand (participates in β ladder)trans-99131.6170.3-49.20000109.8L641 F642L641-S685 WeakPolarHBondContact CA-O 3.44Å; F642-S685 PolarHBondContact N-O 3.34Å; F642-S685 PolarHBondContact O-N 2.85Å
686A96.6Very high94.8Very high0 Ų050.1 Ų50.10%027%0.274CS..EExtended strand (participates in β ladder)trans-118.8132.117700000110.2P610 F612 V633 P639 Q640 L641 M692 S693P610-A686 HydrophobicContact CB-CB 3.68Å; P610-A686 HydrophobicContact CG-CB 4.33Å; F612-A686 HydrophobicContact CE2-CB 4.08Å; F612-A686 HydrophobicContact CZ-CB 3.99Å; V633-A686 HydrophobicContact CG1-CB 4.02Å; P639-A686 HydrophobicContact CB-CB 4.29Å; P639-A686 HydrophobicContact CG-CB 4.49Å; Q640-A686 WeakPolarHBondContact O-CA 3.34Å; L641-A686 HydrophobicContact CD2-CB 3.48Å; L641-A686 VanDerWaalsContact CD2-CB 3.48Å; A686-M692 CarbonylContact O-C 3.59Å; A686-M692 VanDerWaalsContact O-CA 3.27Å; A686-M692 WeakPolarHBondContact O-CA 3.48Å; A686-S693 PolarHBondContact N-O 3.26Å; A686-S693 PolarHBondContact O-N 3.37Å
687I95.2Very high95Very high62 Ų6243.3 Ų43.332%0.31824%0.244SC..EExtended strand (participates in β ladder)trans-136.8128.9-172.5-46.6-176.4000110.2P639 Q640 F642 M692P639-I687 CarbonylContact C-O 3.53Å; P639-I687 VanDerWaalsContact CA-O 3.29Å; P639-I687 WeakPolarHBondContact CA-O 3.44Å; Q640-I687 PolarHBondContact N-O 2.87Å; Q640-I687 PolarHBondContact O-N 2.94Å; F642-I687 HydrophobicContact CD2-CD1 4.05Å; F642-I687 HydrophobicContact CD2-CG1 4.32Å; F642-I687 HydrophobicContact CE2-CD1 3.78Å; F642-I687 HydrophobicContact CE2-CG1 4.15Å; I687-M692 HydrophobicContact CD1-CG 4.47Å; I687-M692 HydrophobicContact CD1-SD 3.9Å; I687-M692 HydrophobicContact CG1-CB 4.22Å; I687-M692 HydrophobicContact CG1-CG 3.9Å; I687-M692 HydrophobicContact CG1-SD 3.99Å; I687-M692 HydrophobicContact CG2-CB 4.48Å
688N94.1Very high95.2Very high20 Ų2040.9 Ų40.911%0.10722%0.219CC..EExtended strand (participates in β ladder)trans-133.9-175.7161.874.2-0.1000109.7R608 P610 S636 P637 P639 A690 G691R608-N688 PolarHBondContact O-ND2 2.95Å; P610-N688 WeakPolarHBondContact CD-OD1 3.33Å; P610-N688 HydrophobicContact CG-CB 4.35Å; S636-N688 PolarHBondContact O-ND2 2.88Å; P637-N688 PolarHBondContact O-ND2 3.32Å; P639-N688 HydrophobicContact CB-CB 4.41Å; N688-A690 VanDerWaalsContact C-N 3.26Å; N688-A690 PolarHBondContact O-N 2.89Å; N688-A690 WeakPolarHBondContact OD1-CB 3.5Å; N688-A690 PolarHBondContact OD1-N 3.08Å; N688-G691 PolarHBondContact N-O 2.92Å; N688-G691 PolarHBondContact O-N 2.78Å; N688-G691 PolarHBondContact OD1-N 2.78Å; N688-G691 VanDerWaalsContact OD1-N 3.16Å; N688-G691 PolarHBondContact OD1-O 3.13Å
689E92.2Very high95.4Very high145 Ų14540.4 Ų40.468%0.67822%0.217SC*.THydrogen-bonded Turntrans-67.5-22.6-178.966.5-168.2155.700114.3L607 P637L607-E689 HydrophobicContact CD1-CG 4.5Å; L607-E689 HydrophobicContact CD2-CG 4.33Å; L607-E689 WeakPolarHBondContact CD2-OE1 3.35Å; P637-E689 WeakPolarHBondContact CD-OE1 3.11Å; P637-E689 VanDerWaalsContact CG-OE1 3.23Å; P637-E689 WeakPolarHBondContact CG-OE1 3.14Å
690A88.3Confident95.4Very high38 Ų3841.3 Ų41.331%0.31422%0.219SC..THydrogen-bonded Turntrans-78.7-18.8173.500000113.6L607 P609 N688L607-A690 HydrophobicContact CB-CB 4.03Å; P609-A690 HydrophobicContact CB-CB 4.15Å; N688-A690 VanDerWaalsContact C-N 3.26Å; N688-A690 PolarHBondContact O-N 2.89Å; N688-A690 WeakPolarHBondContact OD1-CB 3.5Å; N688-A690 PolarHBondContact OD1-N 3.08Å
691G92.1Very high95.4Very high26 Ų2642.6 Ų42.627%0.26823%0.226SC..EExtended strand (participates in β ladder)trans156.3-165.3174.500000115.7P610 N688P610-G691 WeakPolarHBondContact CD-O 3.3Å; N688-G691 PolarHBondContact N-O 2.92Å; N688-G691 PolarHBondContact O-N 2.78Å; N688-G691 PolarHBondContact OD1-N 2.78Å; N688-G691 VanDerWaalsContact OD1-N 3.16Å; N688-G691 PolarHBondContact OD1-O 3.13Å
692M96.2Very high95.2Very high125 Ų12538.2 Ų38.262%0.61622%0.219SC*.EExtended strand (participates in β ladder)trans-130.7146.8-179.5172.7172.866.300111A686 I687A686-M692 CarbonylContact O-C 3.59Å; A686-M692 VanDerWaalsContact O-CA 3.27Å; A686-M692 WeakPolarHBondContact O-CA 3.48Å; I687-M692 HydrophobicContact CD1-CG 4.47Å; I687-M692 HydrophobicContact CD1-SD 3.9Å; I687-M692 HydrophobicContact CG1-CB 4.22Å; I687-M692 HydrophobicContact CG1-CG 3.9Å; I687-M692 HydrophobicContact CG1-SD 3.99Å; I687-M692 HydrophobicContact CG2-CB 4.48Å
693S96.6Very high94.8Very high39 Ų3941.8 Ų41.827%0.27324%0.241SC..EExtended strand (participates in β ladder)trans-141.3160.9170.4-170.20000111.2P610 A686P610-S693 WeakPolarHBondContact O-CB 3.29Å; P610-S693 PolarHBondContact O-OG 2.94Å; A686-S693 PolarHBondContact N-O 3.26Å; A686-S693 PolarHBondContact O-N 3.37Å
694T96.5Very high93.9Very high74 Ų7448.6 Ų48.645%0.45426%0.264SS..EExtended strand (participates in β ladder)trans-137.4139.5-17756.90000111.8L684L684-T694 WeakPolarHBondContact O-CA 3.4Å
695C95.9Very high92.7Very high4 Ų454 Ų543%0.02730%0.297CS..EExtended strand (participates in β ladder)trans-122139.7171.2-176.60000110.1F612 M616 T683 L684F612-C695 HydrophobicContact CB-CB 4.42Å; F612-C695 HydrophobicContact CD1-CB 3.4Å; F612-C695 VanDerWaalsContact CD1-CB 3.4Å; F612-C695 HydrophobicContact CD2-CB 3.89Å; F612-C695 HydrophobicContact CE1-CB 3.43Å; F612-C695 VanDerWaalsContact CE1-CB 3.43Å; F612-C695 HydrophobicContact CE2-CB 3.93Å; F612-C695 HydrophobicContact CG-CB 3.64Å; F612-C695 HydrophobicContact CZ-CB 3.7Å; M616-C695 HydrophobicContact CE-CB 4.22Å; M616-C695 WeakPolarHBondContact CE-O 3.46Å; M616-C695 PolarHBondContact N-SG 2.99Å; T683-C695 CarbonylContact C-O 3.53Å; T683-C695 VanDerWaalsContact CA-O 3.31Å; T683-C695 WeakPolarHBondContact CA-O 3.5Å; L684-C695 PolarHBondContact N-O 3.19Å; L684-C695 PolarHBondContact O-N 3.02Å
696N96.2Very high91.1Very high82 Ų8259.6 Ų59.644%0.43933%0.331SS..EExtended strand (participates in β ladder)trans-131.5139.6-174.2-58.860.8000109.4Y682 T683Y682-N696 CarbonylContact O-C 3.58Å; Y682-N696 WeakPolarHBondContact O-CA 3.4Å; T683-N696 WeakPolarHBondContact CG2-ND2 3.45Å; T683-N696 PolarHBondContact OG1-ND2 3.29Å
697A97Very high89.1Confident0 Ų065.3 Ų65.30%037%0.369CS..EExtended strand (participates in β ladder)trans-140.9152.7172.300000111.2M616 L617 N618 W681 Y682M616-A697 HydrophobicContact CB-CB 3.54Å; L617-A697 WeakPolarHBondContact O-CB 3.08Å; N618-A697 WeakPolarHBondContact OD1-CA 3.38Å; W681-A697 CarbonylContact C-O 3.6Å; W681-A697 WeakPolarHBondContact CA-O 3.47Å; Y682-A697 PolarHBondContact N-O 3.37Å; Y682-A697 PolarHBondContact O-N 2.96Å
698R96.5Very high87.3Confident50 Ų5066.7 Ų66.719%0.18939%0.389CS..EExtended strand (participates in β ladder)trans-98.3129.1175-17570.9-164.3157.617110.2N618 T619 D646 S679 G680 W681 D700N618-R698 CarbonylContact C-O 3.53Å; N618-R698 VanDerWaalsContact CA-O 3.28Å; N618-R698 WeakPolarHBondContact CA-O 3.43Å; N618-R698 HydrophobicContact CB-CB 4.32Å; N618-R698 PolarHBondContact OD1-N 3.29Å; T619-R698 PolarHBondContact N-O 3.17Å; D646-R698 IonicContact OD1-NH1 3.8Å; S679-R698 PolarHBondContact OG-NH2 3.4Å; G680-R698 VanDerWaalsContact CA-NH1 3.29Å; W681-R698 HydrophobicContact CD2-CB 4.35Å; W681-R698 HydrophobicContact CE3-CB 3.95Å; W681-R698 HydrophobicContact CH2-CB 4.03Å; W681-R698 HydrophobicContact CZ2-CB 4.4Å; W681-R698 HydrophobicContact CZ3-CB 3.79Å; R698-D700 IonicContact CZ-OD1 3.13Å; R698-D700 IonicContact NE-OD1 2.72Å; R698-D700 PolarHBondContact NE-OD1 2.86Å; R698-D700 IonicContact NH2-OD1 2.69Å; R698-D700 PolarHBondContact NH2-OD1 2.78Å; R698-D700 VanDerWaalsContact NH2-OD1 3.07Å
699L96.7Very high85.4Confident0 Ų073.8 Ų73.80%043%0.426CS..EExtended strand (participates in β ladder)trans-105.5120.6164.3178.760.8000108.5T619 I627 S679 G680 Y682 I701T619-L699 HydrophobicContact CG2-CD1 4.14Å; T619-L699 WeakPolarHBondContact O-CA 3.34Å; I627-L699 HydrophobicContact CD1-CD1 4.42Å; I627-L699 HydrophobicContact CD1-CD2 3.98Å; I627-L699 HydrophobicContact CG1-CD1 4.18Å; I627-L699 HydrophobicContact CG1-CD2 4.03Å; I627-L699 HydrophobicContact CG2-CD1 4.38Å; S679-L699 CarbonylContact C-O 3.59Å; S679-L699 WeakPolarHBondContact CA-O 3.5Å; S679-L699 PolarHBondContact OG-O 3.15Å; G680-L699 PolarHBondContact N-O 3.34Å; G680-L699 PolarHBondContact O-N 3.14Å; Y682-L699 HydrophobicContact CD2-CB 3.96Å; Y682-L699 HydrophobicContact CE2-CB 3.84Å; Y682-L699 HydrophobicContact CE2-CD2 3.82Å; Y682-L699 HydrophobicContact CE2-CG 4.47Å; L699-I701 HydrophobicContact CD1-CG1 4.43Å; L699-I701 HydrophobicContact CD2-CD1 4.23Å; L699-I701 HydrophobicContact CG-CD1 4.3Å; L699-I701 HydrophobicContact CG-CG1 4.19Å
700D96.2Very high83.3Confident54 Ų5476.6 Ų76.629%0.28944%0.436SS..EExtended strand (participates in β ladder)trans-116.7137.8172.8-63.5-43.6000110.1T619 R620 A621 R698T619-D700 PolarHBondContact O-N 3.25Å; R620-D700 WeakPolarHBondContact CA-O 3.21Å; R620-D700 HydrophobicContact CG-CB 4.34Å; A621-D700 PolarHBondContact N-O 2.87Å; R698-D700 IonicContact CZ-OD1 3.13Å; R698-D700 IonicContact NE-OD1 2.72Å; R698-D700 PolarHBondContact NE-OD1 2.86Å; R698-D700 IonicContact NH2-OD1 2.69Å; R698-D700 PolarHBondContact NH2-OD1 2.78Å; R698-D700 VanDerWaalsContact NH2-OD1 3.07Å
701I95.7Very high81.4Confident26 Ų2683.5 Ų83.513%0.13346%0.464CS..EExtended strand (participates in β ladder)trans-124.6122.4-172.1-61.2170.6000110.1A621 E623 V674 T675 D678 L699A621-I701 CarbonylContact O-C 3.59Å; A621-I701 WeakPolarHBondContact O-CA 3.45Å; E623-I701 HydrophobicContact CB-CG2 4.2Å; V674-I701 HydrophobicContact CB-CD1 3.8Å; V674-I701 HydrophobicContact CG2-CD1 3.99Å; V674-I701 HydrophobicContact CG2-CG1 4.23Å; V674-I701 HydrophobicContact CG2-CG2 4.29Å; T675-I701 WeakPolarHBondContact O-CD1 3.31Å; D678-I701 HydrophobicContact CB-CD1 3.81Å; L699-I701 HydrophobicContact CD1-CG1 4.43Å; L699-I701 HydrophobicContact CD2-CD1 4.23Å; L699-I701 HydrophobicContact CG-CD1 4.3Å; L699-I701 HydrophobicContact CG-CG1 4.19Å
702G91.6Very high79.6Confident31 Ų3186.3 Ų86.332%0.3249%0.485SS..EExtended strand (participates in β ladder)trans-96.1144.2177.300000112.7A621 L622 E623A621-G702 PolarHBondContact O-N 3.27Å; L622-G702 CarbonylContact C-O 3.53Å; L622-G702 VanDerWaalsContact CA-O 3.31Å; L622-G702 WeakPolarHBondContact CA-O 3.39Å; E623-G702 PolarHBondContact N-O 2.85Å
703T88.4Confident77.5Confident76 Ų7686 Ų8647%0.46649%0.492SS..  trans-76.6136.9171.948.10000110.7T705T703-T705 VanDerWaalsContact C-N 3.28Å; T703-T705 PolarHBondContact O-N 2.83Å
704R78.8Confident75.1Confident161 Ų16190 Ų9061%0.60852%0.517SS*.  trans-70.579.9170.8-68.7-179.9174.9-112.8-1.5110.6L622 E623 D625 T706L622-R704 HydrophobicContact CB-CG 3.95Å; L622-R704 HydrophobicContact CD1-CG 4.17Å; L622-R704 HydrophobicContact CG-CG 4.49Å; E623-R704 PolarHBondContact O-NE 3.07Å; D625-R704 IonicContact OD1-CZ 3.61Å; D625-R704 IonicContact OD1-NE 2.69Å; D625-R704 IonicContact OD1-NH2 3.65Å; D625-R704 PolarHBondContact OD1-NH2 3.01Å; R704-T706 PolarHBondContact O-N 2.92Å; R704-T706 VanDerWaalsContact O-N 3.09Å
705T70.3Confident72.8Confident113 Ų11391.8 Ų91.869%0.69354%0.539SS*.  trans-72.199171.651.50000109.4T703T703-T705 VanDerWaalsContact C-N 3.28Å; T703-T705 PolarHBondContact O-N 2.83Å
706T60.9Low70.3Confident125 Ų12596 Ų9677%0.76757%0.569SS**  trans-57.1125.9160.9420000108.1R704 A708R704-T706 PolarHBondContact O-N 2.92Å; R704-T706 VanDerWaalsContact O-N 3.09Å; T706-A708 PolarHBondContact O-N 3.41Å
707P56.7Low67.8Low121 Ų121101.3 Ų101.379%0.78659%0.588SS**  trans-68105.3177.826.7-32.3000108.1L709P707-L709 PolarHBondContact O-N 3.25Å
708A56.7Low64.9Low90 Ų90107.4 Ų107.474%0.74463%0.626SS**  trans-5711517800000109.3T706 K710T706-A708 PolarHBondContact O-N 3.41Å; A708-K710 PolarHBondContact O-N 3.29Å
709L53.1Low62.1Low169 Ų169113.6 Ų113.689%0.88566%0.661SS**  trans-55109.1174.2-83164000108.3P707 M711P707-L709 PolarHBondContact O-N 3.25Å; L709-M711 PolarHBondContact O-N 3.47Å
710K48.5Very low59.4Low204 Ų204122.6 Ų122.689%0.88770%0.701SS**  trans-62.6102.1174.3-73.8-178.3177.3177.60107.8A708 A712A708-K710 PolarHBondContact O-N 3.29Å; K710-A712 PolarHBondContact O-N 3.49Å
711M49.1Very low56.5Low183 Ų183127.2 Ų127.290%0.90173%0.725SS**  trans-54.3115.2170.1-68.4177.267.500108.2L709L709-M711 PolarHBondContact O-N 3.47Å
712A53.1Low53.7Low86 Ų86134 Ų13471%0.71176%0.76SS**  trans-63.8139.3176.600000109.3K710K710-A712 PolarHBondContact O-N 3.49Å
713P54Low51Low117 Ų117137.8 Ų137.876%0.7678%0.782SS**  trans-63.3140.6176.527.2-34.1000110A715P713-A715 PolarHBondContact O-N 3.36Å; P713-A715 VanDerWaalsContact O-N 3.11Å
714P45.8Very low48.3Very low123 Ų123138.5 Ų138.580%0.79979%0.79SS**  trans-66.8113.3-176.225.9-33.8000111S716P714-S716 PolarHBondContact O-N 3.3Å
715A47Very low46.3Very low112 Ų112138 Ų13893%0.92680%0.798SS**  trans-67.1101.9177.200000110.8P713P713-A715 PolarHBondContact O-N 3.36Å; P713-A715 VanDerWaalsContact O-N 3.11Å
716S45.1Very low44.6Very low93 Ų93137 Ų13765%0.6580%0.796SS**  trans-121.2131178.3-177.20000110.5P714P714-S716 PolarHBondContact O-N 3.3Å
717K41.8Very low43.6Very low193 Ų193139.7 Ų139.784%0.83980%0.8SS**  trans71116.4-173.1-44.4160.8-172.2174.30111.5
718T37.6Very low42.7Very low129 Ų129141.4 Ų141.479%0.79180%0.801SS**  -170.8126.757.3-66.40000110.3
719L37Very low42.4Very low179 Ų179143.1 Ų143.194%0.93781%0.805SS**  trans-139112.4157.9-85178.4000109.8
720K39.8Very low41.5Very low189 Ų189139.1 Ų139.182%0.82280%0.796SS**  trans-145.1129.8162.1-100.7-169.5175.1-175.50107.4
721L35.6Very low40.6Very low152 Ų152137.2 Ų137.280%0.79680%0.795SS**  trans48.8111.2169.3-79.664.2000116.3
722L38.1Very low39.9Very low167 Ų167133.9 Ų133.987%0.87479%0.785SS**  -160.1110.798.4-103.9164.6000110.5
723S33.6Very low39.1Very low111 Ų111136.1 Ų136.178%0.77679%0.789SS**  trans-120.6103.5177.854.70000109.5
724S32.9Very low38.1Very low91 Ų91139.4 Ų139.464%0.63680%0.795SS**  trans-173.9147166.137.80000111.8
725L35.6Very low37.5Very low150 Ų150138.8 Ų138.879%0.78579%0.793SS**  trans57.1102.1158.5-58.5161.2000116
726S36Very low37.6Very low92 Ų92139.2 Ų139.264%0.64379%0.787SS**  cis6610034.694.30000115.6
727H39Very low37.3Very low182 Ų182138.1 Ų138.184%0.84378%0.783SS**  trans-166.9142.9132.8-88.3-55.3000111
728L37.9Very low36.8Very low157 Ų157136.9 Ų136.982%0.82278%0.781SS**  trans-123.8154.3168.1-66.9171.7000107
729P50.9Low36.7Very low127 Ų127137.9 Ų137.983%0.82578%0.776SS**  -129.6157.578.211.412000112.5
730A32.6Very low36.5Very low84 Ų84135.4 Ų135.469%0.69477%0.768SS**  cis99.3106.327.600000114.8
731L31.2Very low36.1Very low164 Ų164130.3 Ų130.386%0.85976%0.762SS**  trans-144115.8154.5-86.8-178000110.2
732T33.8Very low36.5Very low113 Ų113128.8 Ų128.869%0.69376%0.76SS**  trans23.6120.4143.852.90000120.3
733V36.7Very low36.1Very low133 Ų133128.3 Ų128.381%0.80676%0.758SS**  73.8124.866.2170.40000110.3
734E32Very low36Very low187 Ų187131.8 Ų131.887%0.87476%0.755SS**  cis-128.3172.345.2-71.3-174.6137.600118.5
735S33.8Very low35.9Very low110 Ų110134.8 Ų134.877%0.76976%0.759SS**  trans-135.9170.9165.6-1390000106.4
736P49.4Very low35.9Very low121 Ų121131.8 Ų131.879%0.78675%0.751SS**  cis-148.3-15847.746.2-24.1000112.1
737A37.4Very low35.9Very low70 Ų70136.1 Ų136.158%0.57976%0.761SS**  cis-151.3147.2-5.800000110
738Q33.1Very low36.1Very low167 Ų167136.1 Ų136.178%0.7876%0.762SS**  45.8150.9129.5-57.7169.4-12.100120.9
739H33.6Very low36.3Very low149 Ų149140.3 Ų140.369%0.6978%0.783SS**  cis-159154.733.9-131.7-72.9000112.8
740T33.3Very low35.5Very low128 Ų128141 Ų14179%0.78578%0.781SS**  trans61120.9157.533.60000122.8
741A31.7Very low35.7Very low82 Ų82143.9 Ų143.968%0.67879%0.786SS**  trans-93.8169.9138.700000109.2
742P44.7Very low35.9Very low119 Ų119142.8 Ų142.877%0.77378%0.782SS**  -117.6160.766.2419.7000112.6
743L29.1Very low36Very low157 Ų157144.6 Ų144.682%0.82279%0.787SS**  76132.654-98.3171.3000116.1
744Y31.1Very low36Very low184 Ų184145.3 Ų145.372%0.72279%0.786SS**  trans96.3127.8157-114.3-121.8000121.9
745E32Very low36.3Very low154 Ų154142.5 Ų142.572%0.7278%0.78SS**  trans52.4156.8150.3-73.5178.3164.600121.3
746S34.3Very low36.5Very low88 Ų88144.9 Ų144.962%0.61578%0.781SS**  cis-168.5175-21.953.60000111
747E37.1Very low35.5Very low183 Ų183146.7 Ų146.786%0.85578%0.781SS**  trans70.7-176153.1-75.2177.7159.600120.7
748E41.5Very low35.3Very low181 Ų181153.1 Ų153.185%0.84680%0.797SS**  trans-88.2155.3-143.9-50.5177.2123.200116
749L42.2Very low35.5Very low245 Ų245151.8 Ų151.8100%1.28380%0.799SS**  -167.50113.1-101.9164000113

Retrieved 749 of 749 residues in 210 ms (Link to these results)