A0A087YJC8_POEFO Loading...

KLF transcription factor 5

AlphaFold DB , UniProt , Accession A0A087YJC8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 516 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M39.4Very low38.5Very low253 Ų253122.4 Ų122.4100%1.24683%0.828SS**  0136.30-60.8167.9177.500107.2
2G35.8Very low38.5Very low80 Ų80131.7 Ų131.783%0.82583%0.832SS**  cis174.6131.2-10.600000113.5
3G37.4Very low38.2Very low86 Ų86130.5 Ų130.589%0.88783%0.831SS**  trans100.5139.3152.200000116.2
4A41.7Very low38.3Very low103 Ų103126.8 Ų126.885%0.85182%0.818SS**  cis-143.2160.6-1500000107.7
5G36.5Very low38.2Very low78 Ų78127.5 Ų127.580%0.80481%0.811SS**  75.814180.700000111.5
6S42.2Very low38.1Very low115 Ų115129.9 Ų129.980%0.80480%0.8SS**  cis-171.5165777.90000108.1
7V42Very low38.2Very low111 Ų111133.3 Ų133.367%0.67379%0.794SS**  cis-167.5140.7-6.4113.90000110.5
8F35.4Very low38.2Very low177 Ų177131.9 Ų131.978%0.77678%0.782SS**  trans65.8174.3154.3-76.2-143.9000120
9T41.3Very low38.5Very low101 Ų101136.1 Ų136.162%0.6278%0.783SS**  -163.1-176.2-56.144.20000109.4
10L39.8Very low38.4Very low173 Ų173138.3 Ų138.391%0.90678%0.783SS**  trans84.6141.8168.2-49.1174.5000116
11G31.7Very low38.4Very low69 Ų69139.4 Ų139.471%0.71179%0.786SS**  cis-171.2123.7-4.800000115.6
12R39.2Very low38.2Very low234 Ų234132.2 Ų132.288%0.88376%0.761SS**  trans18.6118.4151.2-70.7179.2171.8173.7-2.9120.8
13S34.6Very low38.1Very low117 Ų117133.6 Ų133.682%0.81877%0.765SS**  70.4166123-47.20000117.6
14A39Very low37.7Very low78 Ų78133.2 Ų133.265%0.64576%0.76SS**  cis-153.2162.41200000112.6
15L36.4Very low37.3Very low138 Ų138139.3 Ų139.372%0.72376%0.761SS**  32.8143.4124-53.7178.5000119.4
16R37.6Very low37.4Very low166 Ų166145.3 Ų145.363%0.62676%0.76SS**  cis-178146.813.7-117.5169.7-166.5-176.88.5110.6
17R39.7Very low36.9Very low187 Ų187146.8 Ų146.871%0.70676%0.759SS**  trans62.2169.5138.4-70.6173-166175.10.8118.4
18D38.3Very low36.3Very low108 Ų108143.9 Ų143.958%0.57875%0.751SS**  cis-150.5151.3-5.2-128.7-36.8000114.2
19R43.7Very low36.3Very low211 Ų211142.1 Ų142.180%0.79676%0.755SS**  trans43.4148.1140.6-87.9165.5171.7174.1-5.1126.9
20K35.8Very low35.9Very low180 Ų180143.2 Ų143.278%0.78377%0.767SS**  trans80.4126.4158.6-68.9170179.1-175.70116.2
21L38.1Very low35.6Very low163 Ų163138.1 Ų138.185%0.85376%0.756SS**  74.5130.653.6-66.4170.8000112.4
22S36.2Very low35.7Very low102 Ų102146.6 Ų146.671%0.71377%0.766SS**  cis-169.9161.74.349.30000114.6
23A32.9Very low35.4Very low109 Ų109147.6 Ų147.690%0.90177%0.77SS**  trans78.4136.9152.400000121.4
24G30Very low35.2Very low77 Ų77147.7 Ų147.779%0.79477%0.769SS**  trans-173156.2172.900000109.7
25R33.9Very low34.9Very low231 Ų231150 Ų15087%0.87278%0.78SS**  trans-113.2156.8-171.7-70.3-177.3175.9-177.41113.6
26R36.8Very low34.7Very low205 Ų205155.6 Ų155.677%0.77479%0.791SS**  trans10.2145143.5-73.3-172.8-101.8173.6-7118.7
27D31.8Very low34.4Very low146 Ų146155 Ų15578%0.78180%0.795SS**  cis-160.9177.44-107.4-38.3000108
28G30.6Very low33.9Very low50 Ų50149.8 Ų149.852%0.51579%0.792SS.*  cis166.3-145.95.200000110.9
29T34.3Very low33.6Very low139 Ų139152.3 Ų152.385%0.85380%0.801SS**  trans71.8135.2173750000120.2
30S34Very low33.2Very low124 Ų124150 Ų15087%0.86780%0.803SS**  trans60.6153.5165.380.30000118.4
31G32.2Very low32.9Very low66 Ų66148.8 Ų148.868%0.6880%0.804SS**  cis-173146.9-5.100000113.2
32R34.6Very low32.4Very low248 Ų248152.1 Ų152.194%0.93681%0.807SS**  trans19.797.1160.3-54.1-179.3-168.8-153.71.9117.9C34R32-C34 PolarHBondContact O-N 3.27Å
33R32.9Very low32.1Very low254 Ų254152.5 Ų152.596%0.95881%0.81SS**  trans-75105.8159.8-95.1-174.2-80-145.2-3.9110.5
34C31.6Very low31.9Very low119 Ų119152.3 Ų152.380%0.80481%0.809SS**  trans-73.7151.6170-82.60000112.3R32R32-C34 PolarHBondContact O-N 3.27Å
35C31.6Very low31.9Very low128 Ų128155.5 Ų155.587%0.86581%0.813SS**  trans-66.5139.8174.2-59.50000111.3Q37C35-Q37 PolarHBondContact O-N 3.1Å
36R31.4Very low31.8Very low254 Ų254156.4 Ų156.496%0.95882%0.816SS**  trans-73.7111.8170-74.3-179.3171.4177.6-4.5110
37Q31.4Very low31.3Very low153 Ų153152.5 Ų152.572%0.71582%0.82SS**  trans-90.9121.3159.4179.958.445.900108.2C35C35-Q37 PolarHBondContact O-N 3.1Å
38A30.8Very low31.3Very low78 Ų78150.1 Ų150.165%0.64582%0.821SS**  trans-83.4132.6171.300000109.8
39H31.2Very low31.2Very low162 Ų162154.7 Ų154.775%0.7584%0.839SS**  trans-107.2134.6162.3-79.1-105.2000108
40I35.3Very low31Very low163 Ų163159 Ų15984%0.83684%0.84SS**PPolyproline II helixtrans-102.5120.2172.6-62176.8000106.7
41N30.1Very low31.3Very low153 Ų153158.7 Ų158.782%0.81884%0.835SS**PPolyproline II helixtrans-78.8142178.1-71.7-20.7000110.6
42Y27Very low31.1Very low233 Ų233159.8 Ų159.891%0.91484%0.837SS**PPolyproline II helixtrans-97.5121.1170.2-129.6-91000109
43S29.5Very low30.8Very low111 Ų111152 Ų15278%0.77683%0.826SS**PPolyproline II helixtrans-90.6121.917752.70000110.8
44A28.9Very low30.6Very low105 Ų105148.1 Ų148.187%0.86882%0.824SS**PPolyproline II helixtrans-96.4130.417600000111.3
45T30.9Very low30.5Very low144 Ų144149.8 Ų149.888%0.88382%0.824SS**PPolyproline II helixtrans-99.5137.6170430000110.5
46R30.1Very low31.2Very low249 Ų249148.7 Ų148.794%0.9482%0.815SS**PPolyproline II helixtrans-96.6138.4171.5-77.5-179.3171.3-178.7-2.6110.1
47S28.1Very low31.2Very low124 Ų124144.3 Ų144.387%0.86781%0.805SS**  trans-148.7147.8149.354.10000107.9
48A30.7Very low30.9Very low96 Ų96142.4 Ų142.479%0.79381%0.807SS**  trans-147.7133.7-172.100000112.1
49T29.1Very low30.8Very low146 Ų146143.2 Ų143.290%0.89681%0.814SS**  trans-153.2144.9160.228.90000110.5
50R30.1Very low30.6Very low230 Ų230142 Ų14287%0.86882%0.817SS**  trans-110.8171.9163.5-86.3-174.283.2-1674.9106.5
51P40.3Very low30.3Very low117 Ų117138.5 Ų138.576%0.7681%0.813SS**  cis-144.5-170.930.642.4-20.7000117.7
52A28.3Very low30.1Very low89 Ų89136.1 Ų136.174%0.73682%0.815SS**  trans3.3157.1157.600000120.9
53A27.8Very low30.1Very low85 Ų85129.7 Ų129.770%0.70281%0.809SS**  cis-166.3-17929.700000114
54L29.3Very low30Very low172 Ų172129.3 Ų129.390%0.90181%0.813SS**  trans73.1131152.7-67.8165.9000122
55L29Very low30Very low154 Ų154129.2 Ų129.281%0.80681%0.812SS**  trans-84168.9154.3-86.9168.7000108.7
56P46.7Very low29.9Very low104 Ų104127.8 Ų127.868%0.67581%0.808SS**  -162.7-179.752.645.9-22.6000121.9
57H31.3Very low29.9Very low163 Ų163121.8 Ų121.876%0.75580%0.804SS**  trans54.6111.3146-67.8-48.2000125.1
58C25.2Very low29.8Very low113 Ų113121 Ų12176%0.76480%0.798SS**  64.5139.8113.7-590000124.8
59A28Very low29.6Very low94 Ų94123.7 Ų123.778%0.77780%0.799SS**  trans76.1154.8142.400000119
60V27.9Very low29.6Very low137 Ų137124.9 Ų124.983%0.8379%0.794SS**  cis-162.4166.4-15.2124.50000110
61A27.5Very low29.4Very low89 Ų89119.3 Ų119.374%0.73678%0.782SS**  trans70.6143.7168.300000117.7
62A27.3Very low28.8Very low104 Ų104124 Ų12486%0.8679%0.785SS**  cis97.597.68.100000118.3
63A27.3Very low28.8Very low97 Ų97125.4 Ų125.480%0.80278%0.784SS**  trans-156.4134.2146.100000106.6
64A27.4Very low28.8Very low104 Ų104125.6 Ų125.686%0.8678%0.78SS**  cis86.398.534.500000114.1
65A27.6Very low28.6Very low103 Ų103124.9 Ų124.985%0.85178%0.777SS**  trans-153.9149.6160.400000108.8
66S29Very low28.6Very low114 Ų114126.2 Ų126.280%0.79778%0.779SS**  trans-128.8-171.8-161.4-53.50000113.1
67S29.7Very low28.5Very low122 Ų122126.8 Ų126.885%0.85378%0.782SS**  trans90146.8169.8-300000115.1
68S25.7Very low28.3Very low107 Ų107122.7 Ų122.775%0.74878%0.784SS**  cis-147.2169.7-1.9-159.60000111.9
69L26.5Very low28.4Very low153 Ų153123.3 Ų123.380%0.80179%0.789SS**  trans-79.5161.5171.6-54.290.8000111.6
70Q29.5Very low28.4Very low172 Ų172127.1 Ų127.180%0.80480%0.795SS**  -177.3136.5108.2-96.8172.526.500115.2
71N26.6Very low28.5Very low113 Ų113129.4 Ų129.460%0.60479%0.789SS**  trans48118.6140.3-69.8-31.1000121.8
72R28.1Very low28.6Very low216 Ų216134.6 Ų134.682%0.81579%0.789SS**  8814995.2-72.3179.6-174.1-159.9-3.1113.4
73T27.5Very low28.7Very low117 Ų117134.9 Ų134.972%0.71879%0.785SS**  cis-148.5154.3-0.1-5.30000112.1
74S28.2Very low28.8Very low90 Ų90139.7 Ų139.763%0.62979%0.788SS**  trans1.9144.5152.958.10000122.3
75D25.2Very low29Very low157 Ų157143.7 Ų143.784%0.8479%0.791SS**  -152.6162.5102.1-95.5-16.6000113.7
76H28.9Very low28.9Very low182 Ų182143.5 Ų143.584%0.84379%0.79SS**  trans-161.7179.1-162.1-118.54.1000108.5
77P44.6Very low28.7Very low115 Ų115143.1 Ų143.175%0.74779%0.794SS**  cis-128.2-163.4-21.438.9-21.3000111.3
78G26.3Very low28.5Very low77 Ų77142 Ų14279%0.79479%0.791SS**  trans-176.158.2175.200000116.6
79C27.8Very low28.5Very low126 Ų126145 Ų14585%0.85180%0.798SS**  trans-88.9148.3179.1-64.40000113.1
80L28.8Very low28.5Very low174 Ų174143.1 Ų143.191%0.91179%0.793SS**  trans-155.6176.3140-112.1171.7000112
81R28.4Very low28.3Very low185 Ų185143.5 Ų143.570%0.69880%0.797SS**  trans-149.1138.5-142.3-140.7-164.2-177.3-174.83.7113.4
82R31.1Very low28.3Very low199 Ų199144.2 Ų144.275%0.75181%0.811SS**  trans66.7166.8162.6-62.1171.5172.8-176.3-7114.5
83S27.8Very low28.2Very low110 Ų110137.4 Ų137.477%0.76981%0.808SS**  cis-139.1160.114.8-62.20000113.5
84F29.4Very low28.1Very low197 Ų197137 Ų13786%0.86482%0.817SS**  trans-76154.5159.6-84.5-104000110.9
85M31.5Very low28.1Very low188 Ų188141.1 Ų141.193%0.92683%0.826SS**  trans-136.9144.9149.6-84.3-62.6178.100109.2
86A26.1Very low28.2Very low99 Ų99141.7 Ų141.782%0.81882%0.824SS**  trans-140.4141.2173.400000108.6
87A25.6Very low28.1Very low107 Ų107139.7 Ų139.788%0.88482%0.819SS**  trans-142.4137.317200000108.2
88A25.6Very low27.6Very low97 Ų97140 Ų14080%0.80282%0.821SS**  trans-111.2158.3177.100000109.9
89L24.5Very low27.7Very low171 Ų171146 Ų14690%0.89583%0.826SS**  trans-150.8168.4151.6-108.2178000110
90T26Very low27.9Very low113 Ų113150.6 Ų150.669%0.69383%0.827SS**  trans-130.6145.3-149.847.40000114.7
91M26.4Very low28.1Very low180 Ų180148 Ų14889%0.88782%0.82SS**  trans53.1111.4146-60.3-63.2-66.300119.9
92S26.8Very low28.3Very low128 Ų128147.7 Ų147.790%0.89583%0.831SS**  -154.3149.2125.8-168.90000108.8
93G25.4Very low28.2Very low74 Ų74147.1 Ų147.176%0.76384%0.837SS**  trans-117.9149.8-167.600000114.6
94A26.1Very low28.3Very low108 Ų108151.6 Ų151.689%0.89384%0.843SS**  trans-140.9149.9157.300000108.2
95Q27.5Very low28.2Very low176 Ų176146.7 Ų146.782%0.82284%0.839SS**  trans-99.5137.8-172.6169.2-178.1-33.400110.1
96E27.6Very low28Very low169 Ų169142.3 Ų142.379%0.7983%0.832SS**  trans-173.1166.9153-88.5-36.7105.400109.4
97D26.4Very low28.2Very low141 Ų141145.4 Ų145.475%0.75483%0.834SS**  trans-74.8153.4-161.1-86.8-43.4000118.3F99D97-F99 PolarHBondContact O-N 2.77Å
98P33.5Very low28.5Very low121 Ų121146 Ų14679%0.78683%0.83SS**  trans-85.4100.9-174.533.6-35.7000114.8
99F29.2Very low28.9Very low202 Ų202146.7 Ų146.789%0.88684%0.835SS**PPolyproline II helixtrans-80.5152.8161.2-98.5-100.1000112.7D97D97-F99 PolarHBondContact O-N 2.77Å
100Y32.3Very low29.2Very low224 Ų224143 Ų14388%0.87883%0.829SS**PPolyproline II helixtrans-61.6132.1-175.7-88.3-103000113.8
101P32.8Very low29.2Very low118 Ų118147.7 Ų147.777%0.76684%0.84SS**PPolyproline II helixtrans-79.5123.4170.730.7-32.9000112.2Q103P101-Q103 PolarHBondContact O-N 3.35Å
102L32Very low29.3Very low179 Ų179144.1 Ų144.194%0.93783%0.833SS**  trans-71.4103167.2-88.9163.6000110.3
103Q28.9Very low29.9Very low187 Ų187144.9 Ų144.987%0.87483%0.826SS**  trans-81.5124.1178.7-163.2161.316.500111.8P101 A105P101-Q103 PolarHBondContact O-N 3.35Å; Q103-A105 PolarHBondContact O-N 2.97Å
104K29.8Very low30.6Very low204 Ų204149.5 Ų149.589%0.88783%0.828SS**  trans-57.7123.5-180-67175.3176.9177.10111.4A106K104-A106 PolarHBondContact O-N 2.86Å
105A28Very low30.9Very low94 Ų94151.4 Ų151.478%0.77782%0.823SS**  trans-83.4102169.500000110.4Q103Q103-A105 PolarHBondContact O-N 2.97Å
106A28.4Very low31.7Very low96 Ų96148.2 Ų148.279%0.79382%0.82SS**PPolyproline II helixtrans-80.1125164.700000109.2K104K104-A106 PolarHBondContact O-N 2.86Å
107L29.9Very low32.3Very low164 Ų164144.4 Ų144.486%0.85982%0.817SS**PPolyproline II helixtrans-90.2126.8178.1-68.4172.5000110.6
108P30.4Very low33Very low121 Ų121144.4 Ų144.479%0.78682%0.817SS**PPolyproline II helixtrans-74.7133.8168.430.4-32.6000110.4A110P108-A110 PolarHBondContact O-N 3.19Å
109A35.4Very low33.1Very low110 Ų110147.1 Ų147.191%0.90982%0.816SS**SBendtrans-73.1113.6-176.500000112.4
110A29.8Very low33.4Very low94 Ų94141.1 Ų141.178%0.77781%0.812SS**  trans-170.561.8161.900000112P108P108-A110 PolarHBondContact O-N 3.19Å
111F27.2Very low33.5Very low212 Ų212137.3 Ų137.393%0.9381%0.806SS**  trans-102.8108.4165.1-96.9-87.9000109.3
112S27.6Very low33.2Very low104 Ų104139.6 Ų139.673%0.72781%0.812SS**  trans-81.3137.5164.4-163.50000108.9E114S112-E114 PolarHBondContact O-N 2.94Å
113L39.9Very low33.2Very low145 Ų145136.2 Ų136.276%0.75980%0.802SS**  trans-99.951.6-164.1-143.8165.8000112.1
114E40.1Very low33.3Very low171 Ų171137 Ų13780%0.79980%0.803SS**  trans-13261.5-176.4-65.9-169144.900112.6S112S112-E114 PolarHBondContact O-N 2.94Å
115D32.3Very low33.5Very low148 Ų148135.2 Ų135.279%0.79180%0.801SS**  trans-16227.7158.4-126.3-11.7000113.4A117D115-A117 PolarHBondContact O-N 2.81Å
116S44.6Very low33.6Very low108 Ų108135.8 Ų135.876%0.75580%0.799SS**THydrogen-bonded Turntrans-76.346.4-172.1-59.30000114.4
117A38.9Very low33.9Very low89 Ų89140.5 Ų140.574%0.73681%0.805SS**THydrogen-bonded Turntrans-132.18.2-174.200000114.9D115D115-A117 PolarHBondContact O-N 2.81Å
118L42Very low34.3Very low142 Ų142137.1 Ų137.174%0.74380%0.801SS**SBendtrans-105.3-1.2-172.6-132.279.2000116.6
119F36.2Very low34.3Very low177 Ų177139.5 Ų139.578%0.77681%0.807SS**SBendtrans-132.50.6-172-71.4-71.5000116.9L121F119-L121 PolarHBondContact O-N 2.82Å
120G35.1Very low34.7Very low77 Ų77144.1 Ų144.179%0.79481%0.806SS**  trans59.548.2166.100000115.7
121L34.2Very low34.8Very low144 Ų144144.3 Ų144.375%0.75481%0.808SS**  trans-107.497.9176.9-64.9174.8000110.3F119 C123F119-L121 PolarHBondContact O-N 2.82Å; L121-C123 PolarHBondContact O-N 3.08Å
122D27.6Very low35.2Very low166 Ų166137.5 Ų137.589%0.88880%0.798SS**  trans-78.181.4174.2-82.5-47.7000111.3K124D122-K124 PolarHBondContact O-N 3.28Å; D122-K124 VanDerWaalsContact O-N 3.13Å
123C31.3Very low36Very low108 Ų108141.7 Ų141.773%0.7381%0.806SS**  trans-74.796.7174.6-65.70000111.4L121L121-C123 PolarHBondContact O-N 3.08Å
124K30.4Very low35.7Very low204 Ų204141 Ų14189%0.88780%0.803SS**PPolyproline II helixtrans-77125.6166-75.3-175.9177178.90110.8D122D122-K124 PolarHBondContact O-N 3.28Å; D122-K124 VanDerWaalsContact O-N 3.13Å
125I34.6Very low35.5Very low165 Ų165141 Ų14185%0.84681%0.809SS**PPolyproline II helixtrans-88.4122.5167.4-60.3166.7000107.6
126S30.2Very low35.5Very low107 Ų107142 Ų14275%0.74880%0.802SS**PPolyproline II helixtrans-89.5141.3166.153.30000109.9
127E33.8Very low35Very low195 Ų195143.4 Ų143.491%0.91181%0.806SS**PPolyproline II helixtrans-66.2157.2177.9-62.2-169.7130.500112.3
128A39.5Very low34.8Very low93 Ų93148.2 Ų148.277%0.76981%0.814SS**PPolyproline II helixtrans-96.8120.3-174.200000112.1
129D30.5Very low34.5Very low170 Ų170147.1 Ų147.191%0.90981%0.813SS**PPolyproline II helixtrans-69141.6166.7-89.9-46.7000111.4
130K43.8Very low34.2Very low207 Ų207146 Ų14690%0.981%0.807SS**  trans-89.3113-166.8-63.1171.4-175.6170.40112.4
131A30.6Very low34.1Very low99 Ų99147.4 Ų147.482%0.81880%0.804SS**  trans-152.7121160.900000113.4
132G36Very low33.9Very low69 Ų69147.8 Ų147.871%0.71180%0.802SS**SBendtrans61.790.1147.900000120.1N134G132-N134 PolarHBondContact O-N 3.01Å
133Q44.1Very low34Very low191 Ų191148.3 Ų148.389%0.89380%0.801SS**  trans37.280.7144.9-64.2176.2-76.400117.9
134N33.6Very low33.9Very low132 Ų132150.7 Ų150.771%0.70681%0.807SS**  trans-163.2124.8151.5-94.5-59.5000108.7G132 Y136G132-N134 PolarHBondContact O-N 3.01Å; N134-Y136 HydrophobicContact CB-CD2 4.1Å; N134-Y136 PolarHBondContact O-N 2.77Å
135D36.1Very low33.9Very low171 Ų171150.9 Ų150.991%0.91480%0.802SS**  trans-81.162.3-175.8-66.1-53.1000112.6
136Y32Very low34Very low167 Ų167153.8 Ų153.866%0.65580%0.804SS**  trans-134118.2175.7-57.5-70000111.8N134 Q138N134-Y136 HydrophobicContact CB-CD2 4.1Å; N134-Y136 PolarHBondContact O-N 2.77Å; Y136-Q138 PolarHBondContact O-N 2.81Å; Y136-Q138 VanDerWaalsContact O-N 3.16Å
137T34.7Very low33.9Very low138 Ų138156.9 Ų156.985%0.84781%0.811SS**  trans-78.493.6169.9380000110.8V139T137-V139 PolarHBondContact O-N 3.34Å; T137-V139 VanDerWaalsContact O-N 3.11Å
138Q34.9Very low33.8Very low190 Ų190153.1 Ų153.189%0.88881%0.806SS**  trans-67107.3170.8-81.3-168.2-12.800111.1Y136Y136-Q138 PolarHBondContact O-N 2.81Å; Y136-Q138 VanDerWaalsContact O-N 3.16Å
139V34.8Very low33.5Very low119 Ų119154.3 Ų154.372%0.72181%0.806SS**  trans-92.9102.6170.3-176.10000109.2T137 C141T137-V139 PolarHBondContact O-N 3.34Å; T137-V139 VanDerWaalsContact O-N 3.11Å; V139-C141 PolarHBondContact O-N 3.42Å
140K30.5Very low33.5Very low153 Ų153151.8 Ų151.867%0.66580%0.799SS**  trans-8489.3178.2-168.7-157-178.8-155.10111E142K140-E142 HydrophobicContact CD-CG 4.4Å; K140-E142 VanDerWaalsContact CE-CD 3.43Å; K140-E142 VanDerWaalsContact CE-OE1 3.28Å; K140-E142 WeakPolarHBondContact CE-OE1 3.46Å; K140-E142 IonicContact NZ-OE1 3.21Å; K140-E142 PolarHBondContact NZ-OE1 3.32Å; K140-E142 IonicContact NZ-OE2 3.48Å; K140-E142 PolarHBondContact NZ-OE2 3.03Å; K140-E142 PolarHBondContact O-N 3.5Å
141C32.4Very low32.9Very low107 Ų107146.6 Ų146.672%0.72380%0.795SS**  trans-80.998.3171.1-660000111.2V139V139-C141 PolarHBondContact O-N 3.42Å
142E31.1Very low33Very low152 Ų152151.2 Ų151.271%0.7180%0.797SS**  trans-80.2140.8162.2-74.6177.8141.100110.1K140K140-E142 HydrophobicContact CD-CG 4.4Å; K140-E142 VanDerWaalsContact CE-CD 3.43Å; K140-E142 VanDerWaalsContact CE-OE1 3.28Å; K140-E142 WeakPolarHBondContact CE-OE1 3.46Å; K140-E142 IonicContact NZ-OE1 3.21Å; K140-E142 PolarHBondContact NZ-OE1 3.32Å; K140-E142 IonicContact NZ-OE2 3.48Å; K140-E142 PolarHBondContact NZ-OE2 3.03Å; K140-E142 PolarHBondContact O-N 3.5Å
143M30.1Very low32.9Very low178 Ų178153 Ų15388%0.87780%0.796SS**  trans-126.9103.6-173.5-177.215657.200110.6
144D28.8Very low32.3Very low158 Ų158149.9 Ų149.985%0.84579%0.792SS**  trans-64.1131.7-179.7-89.8-45.2000112.4Y146D144-Y146 PolarHBondContact O-N 3.28Å
145R30.3Very low32.2Very low208 Ų208152.9 Ų152.979%0.78580%0.802SS**  trans-76.6113.1-176.9-82.2179.8163.3-177.5-3.4112.1
146Y35.7Very low31.8Very low225 Ų225151.3 Ų151.388%0.88280%0.799SS**  trans-13450.6159.7-87.1-72.9000114.2D144D144-Y146 PolarHBondContact O-N 3.28Å
147L29.6Very low31.7Very low173 Ų173151.4 Ų151.491%0.90681%0.811SS**  trans-139.296.4161.1-74.9-179.9000111.1
148S31.6Very low31.4Very low115 Ų115148 Ų14880%0.80480%0.803SS**PPolyproline II helixtrans-76.8139.9164.6-56.70000110.1
149P33.4Very low31.1Very low118 Ų118148.1 Ų148.177%0.76680%0.803SS**PPolyproline II helixtrans-67.3144.4172.329.1-34.2000110.6A151P149-A151 PolarHBondContact O-N 2.89Å
150P29.9Very low31Very low117 Ų117150.9 Ų150.976%0.7681%0.809SS**PPolyproline II helixtrans-70.8121.3175.129.1-33.3000110.2
151A30.7Very low30.9Very low99 Ų99152.8 Ų152.882%0.81882%0.817SS**PPolyproline II helixtrans-66.9133.4175.800000111.5P149P149-A151 PolarHBondContact O-N 2.89Å
152F32.5Very low30.9Very low196 Ų196152.6 Ų152.686%0.8682%0.817SS**PPolyproline II helixtrans-79.2137.5169.8-72.2-91.9000110
153P34.3Very low30.8Very low107 Ų107154.6 Ų154.670%0.69583%0.826SS**PPolyproline II helixtrans-73.9147.7173.731.5-34.3000110.9
154P32Very low30.9Very low125 Ų125156 Ų15681%0.81282%0.821SS**PPolyproline II helixtrans-65.8145.2177.228.3-35000111.4
155Q30.7Very low31Very low195 Ų195154.6 Ų154.691%0.91181%0.814SS**PPolyproline II helixtrans-92134.4166.5-63.9-172.24.300109.1
156T27.6Very low31.2Very low137 Ų137152.9 Ų152.984%0.8482%0.819SS**PPolyproline II helixtrans-96.2129.9171.551.40000109.4
157D30.1Very low31.1Very low170 Ų170148.9 Ų148.991%0.90982%0.817SS**PPolyproline II helixtrans-60.2151.6-176.3-99.8-62.4000115.1
158G28.5Very low31.5Very low67 Ų67146.4 Ų146.469%0.69182%0.815SS**  trans-171.281.3-177.800000114.5
159Q28.1Very low31.4Very low191 Ų191146 Ų14689%0.89382%0.819SS**  trans68.872.2165.7-58.5-170.8-64.900118.7
160Q32.5Very low31.4Very low178 Ų178145.1 Ų145.183%0.83282%0.821SS**  30.4140.3125-65.8-173.1-18.700122.5
161K30.2Very low31.6Very low192 Ų192148.1 Ų148.184%0.83583%0.825SS**  trans101.9127.5157.8-61.2179.6-179.4177.80116.1
162S32Very low32Very low103 Ų103151.8 Ų151.872%0.7283%0.825SS**  cis-166.4117.9-16.946.10000110.8
163H29.1Very low31.9Very low195 Ų195150.8 Ų150.890%0.90382%0.821SS**  trans-154.4160.1144-139.4-91.7000111.3
164R31.6Very low31.8Very low207 Ų207155.6 Ų155.678%0.78183%0.831SS**  trans-110160.1-171.4-123.7-175.1176.3160.6-1.6111.9
165D31.5Very low31.8Very low128 Ų128155.8 Ų155.868%0.68484%0.835SS**  trans62.379.9150.4-47.2-28.1000120.3
166I33.6Very low31.8Very low173 Ų173149.4 Ų149.489%0.88782%0.822SS**  trans-145.364134.4-43.3179000110.9
167T34.5Very low32.3Very low140 Ų140150.9 Ų150.986%0.85983%0.825SS**  trans-142.368.3167.349.60000110.4
168S36.6Very low32.7Very low122 Ų122151.6 Ų151.685%0.85382%0.822SS**  trans-154.856.6176.3-172.70000111.5
169A31Very low33Very low107 Ų107153.5 Ų153.588%0.88483%0.832SS**SBendtrans-153.111176.800000114.2
170A32.3Very low33.7Very low98 Ų98148.4 Ų148.481%0.8183%0.83SS**SBendtrans-131.8-1.5-173.900000114.3
171E34.4Very low33.5Very low181 Ų181144 Ų14485%0.84682%0.824SS**SBendtrans-125.452.5-177.1-64.5-172.4146.900111
172Q38.9Very low33.6Very low175 Ų175140.6 Ų140.682%0.81882%0.822SS**SBendtrans-131.19.9171.5-78.8-165.5-23.200114.3
173F30.9Very low33.6Very low176 Ų176145.1 Ų145.177%0.77282%0.824SS**SBendtrans-130.4139.5164.9-69.4-86.1000108.5
174F31.6Very low33.7Very low208 Ų208141.7 Ų141.791%0.91282%0.817SS**  trans73.745.7-177.3-45.1-67.7000117.6
175S32.3Very low33.6Very low128 Ų128138.8 Ų138.890%0.89582%0.817SS**  trans-82105.2145.9-61.90000108.8
176G29.6Very low33.4Very low62 Ų62139.3 Ų139.364%0.63982%0.82SS**  trans176.8122.317800000113.9H178G176-H178 PolarHBondContact O-N 3.14Å; G176-H178 VanDerWaalsContact O-N 3.08Å
177D39.2Very low33.2Very low167 Ų167137.9 Ų137.989%0.89381%0.811SS**  trans-75.992.3-174.9-70.3-66.9000113.2
178H37.6Very low32.9Very low186 Ų186137.2 Ų137.286%0.86180%0.802SS**  trans-122.686.9170.1-71.9-12.3000111.4G176 G180G176-H178 PolarHBondContact O-N 3.14Å; G176-H178 VanDerWaalsContact O-N 3.08Å; H178-G180 PolarHBondContact O-N 3.48Å
179A35.1Very low32.6Very low107 Ų107138.1 Ų138.188%0.88480%0.797SS**  trans-71.6119.817100000111.1
180G42.3Very low32.5Very low84 Ų84141.7 Ų141.787%0.86679%0.788SS**SBendtrans74.363.615600000117.8H178H178-G180 PolarHBondContact O-N 3.48Å
181A28.8Very low32.5Very low86 Ų86144.3 Ų144.371%0.71179%0.788SS**  trans-127.5134.4161.100000111.3
182P31.9Very low32.4Very low120 Ų120141.3 Ų141.378%0.77978%0.784SS**PPolyproline II helixtrans-79.9123.6173.931.4-31.9000110.9
183Y33.5Very low32.2Very low197 Ų197141 Ų14177%0.77379%0.788SS**PPolyproline II helixtrans-80118.7171.241.3-90.9000110.5
184T30.9Very low32.2Very low123 Ų123138.3 Ų138.376%0.75579%0.786SS**PPolyproline II helixtrans-87.1120.8174.641.20000110.6N186T184-N186 PolarHBondContact O-N 2.83Å
185L28.2Very low32.2Very low147 Ų147132.9 Ų132.977%0.7778%0.779SS**  trans-97.181.3-177.9-135.8173.5000109.9M187L185-M187 HydrophobicContact CD2-CG 4.27Å; L185-M187 PolarHBondContact O-N 3.2Å
186N28.5Very low32.2Very low139 Ų139137.5 Ų137.574%0.74378%0.779SS**  trans-67.7120.1177.8-81.1-10.5000111T184T184-N186 PolarHBondContact O-N 2.83Å
187M28.1Very low32.2Very low143 Ų143142.5 Ų142.570%0.70479%0.79SS**  trans-123.3104.1174.5-79.5-66.6-62.700109.5L185 L189L185-M187 HydrophobicContact CD2-CG 4.27Å; L185-M187 PolarHBondContact O-N 3.2Å; M187-L189 PolarHBondContact O-N 3.11Å
188N30.1Very low31.8Very low125 Ų125146.3 Ų146.367%0.66879%0.792SS**  trans-77.8110.8176.4-66.3-2.1000109.8Y190N188-Y190 HydrophobicContact CB-CE2 4.16Å
189L28.8Very low31.3Very low142 Ų142146.1 Ų146.174%0.74379%0.793SS**  trans-87.9126.1166.4-81.182.5000109.6M187M187-L189 PolarHBondContact O-N 3.11Å
190Y30Very low30.8Very low182 Ų182144.5 Ų144.571%0.71479%0.787SS**  trans-101.3125.6166.3-71.2-92000108.9N188N188-Y190 HydrophobicContact CB-CE2 4.16Å
191L32.6Very low30.1Very low153 Ų153146.1 Ų146.180%0.80179%0.785SS**  trans-107.4136.4166.7-6898000109
192P30.7Very low29.8Very low117 Ų117146.7 Ų146.776%0.7678%0.783SS**  trans-81.1147.517033.5-33.1000111
193D34.7Very low29.6Very low170 Ų170148.8 Ų148.891%0.90978%0.782SS**  trans-60.4134.5177.2-74.7-60.7000113
194V32.4Very low29.3Very low119 Ų119147.5 Ų147.572%0.72178%0.784SS**  trans-129.1103.2163.5-176.40000107.9Y196V194-Y196 PolarHBondContact O-N 3.32Å
195A31.5Very low29.1Very low94 Ų94148.1 Ų148.178%0.77779%0.787SS**  trans-65.4121.6-179.300000111.2L197A195-L197 PolarHBondContact O-N 3.44Å
196Y31.9Very low28.9Very low224 Ų224152 Ų15288%0.87879%0.791SS**  trans-72.5111175.5-90.3-96.9000111.3V194 R198V194-Y196 PolarHBondContact O-N 3.32Å; Y196-R198 PolarHBondContact O-N 3.45Å
197L28.9Very low29.4Very low168 Ų168150.4 Ų150.488%0.8879%0.789SS**  trans-67.1114.3167.4-80.3167.8000110.2A195A195-L197 PolarHBondContact O-N 3.44Å
198R30.9Very low30.2Very low247 Ų247148.5 Ų148.593%0.93279%0.787SS**  trans-98.6108.4-176.3-156.3-177.1-160.7-175.56.9110.1Y196Y196-R198 PolarHBondContact O-N 3.45Å
199M26.6Very low30.1Very low181 Ų181151.5 Ų151.589%0.89280%0.797SS**  trans-10796.5-173.6-84-69.9-69.800113.3
200G26.5Very low30Very low73 Ų73148.8 Ų148.875%0.75380%0.795SS**  trans64.6167.4168.900000116.1
201S26.9Very low30.1Very low118 Ų118148.4 Ų148.483%0.82580%0.8SS**  cis-156.5161.8-27.7460000105.5
202C23.2Very low29.9Very low99 Ų99148.6 Ų148.667%0.66980%0.801SS**  cis-152.6-179.132.6-141.40000112.4
203E25.9Very low30.1Very low163 Ų163154.8 Ų154.876%0.76281%0.809SS**  trans20137.9153.5-71165.49500120.9
204Q28.1Very low29.9Very low171 Ų171151.7 Ų151.780%0.79981%0.807SS**  -154.8150.252.3-80.3-176.8-1800115.2
205V26.4Very low29.8Very low136 Ų136149.9 Ų149.982%0.82481%0.813SS**  trans58.9123.7137.2-179.70000122
206R23.5Very low29.8Very low228 Ų228153 Ų15386%0.8682%0.815SS**  trans-63.5-179.4165.1-86.9-172.7-168162.53.3114.8
207P39.7Very low29.7Very low106 Ų106147 Ų14769%0.68881%0.813SS**  cis-137.5-132.2-3640.4-19.2000108.8
208P44.2Very low29.8Very low102 Ų102147 Ų14766%0.66281%0.808SS**  cis-120.4-167.5-46.133-13.7000113.3
209Q28.2Very low29.8Very low188 Ų188143.1 Ų143.188%0.87980%0.804SS**  trans80.9155.5165.1-57.6-175.42.300118.5
210A27.5Very low30Very low85 Ų85143.4 Ų143.470%0.70280%0.8SS**  cis178.7170.1-47.700000109.7
211Q31.7Very low30.1Very low175 Ų175145 Ų14582%0.81880%0.796SS**  trans76.595.9162-53.7-172.10.400120.4
212N29.5Very low30.2Very low156 Ų156148 Ų14883%0.83480%0.797SS**  33.3113.1114.9-57.6-10.8000121.3
213R33.5Very low30.5Very low247 Ų247148.1 Ų148.193%0.93281%0.805SS**  -164.4119.5125.3-110.4169.3167.7152.8-3107.6
214A31.4Very low30.5Very low105 Ų105144.8 Ų144.887%0.86881%0.805SS**  cis79.6111.34700000113.6
215G29.8Very low30.5Very low81 Ų81142.2 Ų142.284%0.83581%0.806SS**  trans-162109.8173.400000108.6
216L31.6Very low30.6Very low159 Ų159141 Ų14183%0.83280%0.804SS**  trans-99.5139-167.5-92.3159.7000112.6Q218L216-Q218 HydrophobicContact CD2-CG 4.49Å
217A29.5Very low30.7Very low100 Ų100136.1 Ų136.183%0.82680%0.803SS**  trans-150.2107.6144.300000109
218Q31.4Very low30.2Very low166 Ų166141.1 Ų141.178%0.77681%0.814SS**  trans-87.3160.5158.4-67.3179.8-19.100107.4L216L216-Q218 HydrophobicContact CD2-CG 4.49Å
219I30.9Very low29.4Very low167 Ų167139.7 Ų139.786%0.85682%0.818SS**  -162.5135.189.7-88.9157.8000108.7
220K31.4Very low30.6Very low186 Ų186136.4 Ų136.481%0.80981%0.813SS**  trans-81.2154.6159.5-77.8-176.8171.8-176.30107.5
221T28.7Very low30.6Very low106 Ų106140.5 Ų140.565%0.6582%0.817SS**  -168.516266.737.50000115.1
222E27.3Very low30.5Very low182 Ų182140.1 Ų140.185%0.8582%0.82SS**  trans70.2166.5144.2-76.4149.6-120.400120.1
223A30.8Very low30.6Very low102 Ų102141.5 Ų141.584%0.84382%0.822SS**  trans-152.2143.9-166.100000110.5
224A26.1Very low31Very low93 Ų93134.8 Ų134.877%0.76981%0.81SS**  trans-162.9142.415400000111.6
225S28.3Very low30.9Very low116 Ų116139 Ų13981%0.81181%0.811SS**  trans21129.514859.90000121.2
226S26.7Very low31Very low112 Ų112140.4 Ų140.478%0.78381%0.807SS**  -150.9147.1118.161.80000112
227C27.4Very low32Very low125 Ų125138.2 Ų138.285%0.84580%0.802SS**  trans-137.7138.7166.1-68.20000107.3
228F28.7Very low32.1Very low210 Ų210141.3 Ų141.392%0.92181%0.805SS**  trans-137.6141.8164.9-95.5-89.5000108.5
229G27.1Very low32Very low72 Ų72136.7 Ų136.774%0.74280%0.802SS**  trans-94.6-134.7-171.700000113.5
230P52.3Low32.1Very low119 Ų119135 Ų13577%0.77380%0.8SS**  cis-138.1-174.119.942.3-23.9000116.5
231H28.4Very low31.9Very low171 Ų171133.6 Ų133.679%0.79280%0.801SS**  trans66.1106.1151.6-102.1-92.3000120.9
232L29Very low32.1Very low168 Ų168134 Ų13488%0.8880%0.803SS**  -172.3168.497.7-97.6165.4000111.7
233Q32Very low32.2Very low185 Ų185130.3 Ų130.386%0.86480%0.797SS**  trans-103.2162.9-170.3-96.3-176.5-46.800114.5
234P43.2Very low32.2Very low105 Ų105137.2 Ų137.268%0.68280%0.802SS**  trans-98.9174.7-17340.2-36.9000114.3
235H29Very low32.5Very low193 Ų193140.5 Ų140.589%0.89481%0.805SS**  trans-127.2135.8159.4-87.5-88.3000110.9
236C31.8Very low33.7Very low111 Ų111140.3 Ų140.375%0.7580%0.801SS**  trans-104.2176.5165-60.10000109.7
237P52Low33.8Very low113 Ų113140.8 Ų140.873%0.73480%0.795SS**  -144.1151.897.737-22.2000116.9
238D31.6Very low33.9Very low165 Ų165142.6 Ų142.688%0.88279%0.789SS**  trans52.9138.2140.3-52.9-22.4000124.4
239G30.3Very low33.9Very low70 Ų70138.3 Ų138.372%0.72278%0.78SS**  trans156.883.5161.900000116.5
240T31.4Very low34Very low132 Ų132139.7 Ų139.781%0.8178%0.778SS**  trans31.1116.4155.354.80000119.7
241L28.7Very low32.9Very low156 Ų156139.8 Ų139.882%0.81778%0.777SS**  50.3137.873.2-62.1176.7000114.2
242T31.2Very low32.8Very low113 Ų113140.4 Ų140.469%0.69378%0.777SS**  cis-160.6157.227.4-24.10000112.8
243S30.4Very low32.7Very low106 Ų106137.6 Ų137.674%0.74177%0.767SS**  trans55.9160.9145.758.60000122.2
244R30Very low32.8Very low246 Ų246137 Ų13793%0.92876%0.764SS**  cis-179.6152.4-42.6-114.9-177179.7-173.7-0.2106.4
245L34Very low32.3Very low162 Ų162137.5 Ų137.585%0.84877%0.771SS**  trans-74.8171.4167.7-62.6167.6000110.8
246P53Low32.2Very low112 Ų112132.4 Ų132.473%0.72777%0.77SS**  -149.9-166.192.148.6-31.8000112.2
247D29.2Very low31.9Very low123 Ų123130.4 Ų130.466%0.65877%0.769SS**  cis-159.6178.1-5.1-135.1-30.3000114.6
248F28.8Very low30.7Very low162 Ų162134.1 Ų134.171%0.71178%0.776SS**  trans44.8116147.3-75.9-56.7000125.2
249T29.1Very low30.5Very low120 Ų120131.3 Ų131.374%0.73677%0.765SS**  43.3150.2124.453.10000122.6
250S28.7Very low30.3Very low101 Ų101136.1 Ų136.171%0.70677%0.766SS**  cis-171155.220.920.70000115.1
251V28.7Very low30Very low122 Ų122136.3 Ų136.374%0.73976%0.761SS**  trans74.8125.8138.21670000122.6
252F25.9Very low29.9Very low183 Ų183136.9 Ų136.980%0.80376%0.757SS**  trans22.7154144.2-60.3-112000121.7
253T27.7Very low29.6Very low109 Ų109138.4 Ų138.467%0.66976%0.756SS**  cis-161.3153.821.3-16.80000114.6
254Q33.5Very low29.5Very low172 Ų172141.8 Ų141.880%0.80476%0.76SS**  trans29.4126.6146.5-71.2177.1-19.500125.7
255S33Very low29.5Very low117 Ų117137.9 Ų137.982%0.81875%0.754SS**  69138.5128.271.20000124.5
256G27Very low29.8Very low85 Ų85136.5 Ų136.588%0.87676%0.755SS**  trans91.4150.3167.400000114.8
257G26.8Very low28.6Very low70 Ų70136.1 Ų136.172%0.72276%0.755SS**  cis154.5114.7-11.800000113.4
258E26.6Very low28.6Very low190 Ų190139.3 Ų139.389%0.88877%0.766SS**  trans64.1165.4164.5-69.9-154.7144.400118.5
259V27.4Very low28.5Very low106 Ų106140 Ų14064%0.64277%0.769SS**  -141.9177.8-52.11710000106.4
260F25.1Very low28.5Very low171 Ų171141.8 Ų141.875%0.7577%0.769SS**  trans106.793.7152.9-78.4-90.8000121.9
261I25.9Very low28.7Very low137 Ų137144.3 Ų144.370%0.70377%0.77SS**  77.9153.3110-81.6-162.6000123.4
262K25.3Very low28.8Very low167 Ų167147.6 Ų147.673%0.72678%0.777SS**  trans87125165.7-88-176.1-177.4-1550118.1
263Q26.7Very low28.9Very low146 Ų146142.5 Ų142.568%0.68278%0.776SS**  74.7147.283.7-78.7-170.1-56.700112.3
264E27.3Very low28.9Very low176 Ų176144.7 Ų144.782%0.82278%0.782SS**  cis-137.6178.221-70.3-174.5128.800114.5
265M30Very low28.6Very low164 Ų164143.5 Ų143.581%0.80878%0.776SS**  trans-98.6168.7153.4-68.4-106-78.100108.8
266P40.8Very low28.6Very low134 Ų134145.9 Ų145.987%0.8777%0.774SS**  -134.6145.5128.836.3-27.7000114.4
267S28.1Very low28.6Very low103 Ų103149.7 Ų149.772%0.7277%0.774SS**  trans-119.1133.5166.357.80000109.5
268Q28.9Very low28.8Very low190 Ų190150 Ų15089%0.88878%0.778SS**  trans-160.7162.7156.6-78.6-149.81.500108.4
269F26.8Very low29.1Very low178 Ų178147.2 Ų147.278%0.78178%0.779SS**  cis-164-177.8-41.1-158.7-104.8000105.7
270E28.2Very low29.1Very low156 Ų156145.8 Ų145.873%0.72979%0.785SS**  trans82.2143.3177.5-54.3-158.7101.500118
271Q33.3Very low29.6Very low154 Ų154142.8 Ų142.872%0.7279%0.786SS**  cis-151.7175.6-34.6-125.9-177.99200110.2
272Q30.9Very low29.8Very low192 Ų192143.7 Ų143.790%0.89779%0.791SS**  trans-74147-168.4-60.5162.5-2.100113.3
273G27.1Very low30Very low76 Ų76143.3 Ų143.378%0.78479%0.79SS**  trans-16760.1-174.500000117
274I28Very low30.3Very low154 Ų154143.7 Ų143.779%0.7979%0.792SS**  trans-6.1151.4163.2-13.5175.6000121.1
275H28.6Very low30.6Very low148 Ų148142.9 Ų142.969%0.68579%0.792SS**  trans104131.3146-87.2-78000122.4
276H32.2Very low30.6Very low166 Ų166142.5 Ų142.577%0.76979%0.793SS**  trans69.3108.2153-69.7-59.3000122.8
277D27.5Very low30.2Very low165 Ų165143.5 Ų143.588%0.88279%0.791SS**  trans-59.2146.7144.4-70.1-71.4000112.1
278G30.6Very low30.3Very low77 Ų77143.6 Ų143.679%0.79480%0.798SS**  trans-170.866179.200000114.3G280G278-G280 PolarHBondContact O-N 3.31Å; G278-G280 VanDerWaalsContact O-N 3.07Å
279S31.9Very low30.3Very low132 Ų132137.7 Ų137.792%0.92379%0.788SS**  trans-81.679.9-177.843.40000113.8
280G29.1Very low30.5Very low75 Ų75136.8 Ų136.877%0.77379%0.79SS**  trans-86.3144.7163.200000112.2G278G278-G280 PolarHBondContact O-N 3.31Å; G278-G280 VanDerWaalsContact O-N 3.07Å
281S35.5Very low30.5Very low109 Ų109135.9 Ų135.976%0.76279%0.791SS**  trans-92143.4-177.961.40000113.8
282L29.3Very low30.5Very low155 Ų155136.4 Ų136.481%0.81279%0.793SS**  -165145.5129.6-131.270.6000115.7
283F29.2Very low30.6Very low159 Ų159136 Ų13670%0.69779%0.79SS**  trans29.3114.7145.5-89.8-122.1000123.7
284Q33.2Very low30.9Very low154 Ų154139.2 Ų139.272%0.7279%0.785SS**  62165.2109.2-68.6-173.9-1.200123.2
285L32.6Very low31.3Very low159 Ų159139.5 Ų139.583%0.83279%0.786SS**  trans87.3141.5-177.2-59.2169.6000113.9
286L31.7Very low31.6Very low156 Ų156138.9 Ų138.982%0.81779%0.788SS**  cis-142.3179.618.2-124.3148.7000113.2
287N30.9Very low31.5Very low155 Ų155134.5 Ų134.583%0.82979%0.788SS**  trans-100.5141.9-174.2-69.8-37.7000114.6
288A31Very low31.8Very low106 Ų106135.6 Ų135.688%0.87679%0.79SS**  trans-179.3150.2143.200000108
289G27.8Very low32Very low66 Ų66141.6 Ų141.668%0.6880%0.797SS**  cis124.8110.81.200000111.2
290L31.2Very low32.1Very low158 Ų158142 Ų14283%0.82779%0.794SS**  trans169.4122.6154.1-92.6159.9000112.6
291D29.7Very low32.5Very low138 Ų138148 Ų14874%0.73880%0.802SS**  trans62122.8137.9-59-1.7000126.8
292H33.5Very low32.5Very low165 Ų165149.9 Ų149.976%0.76480%0.799SS**  trans21.9131.1136.5-74.6-6.2000122.8
293H33.1Very low32.9Very low182 Ų182152.3 Ų152.384%0.84381%0.806SS**  -152.8148.391.3-114.3-80000113
294H32.6Very low33.2Very low144 Ų144151.8 Ų151.867%0.66781%0.806SS**  trans-139.9138.7177.1-158.567.4000108.9D296H294-D296 IonicContact CD2-OD2 3.44Å; H294-D296 PolarHBondContact CD2-OD2 3.43Å; H294-D296 IonicContact NE2-OD1 2.68Å; H294-D296 IonicContact NE2-OD2 3.66Å; H294-D296 PolarHBondContact NE2-OD2 3.4Å
295I35.3Very low33.3Very low160 Ų160153.5 Ų153.582%0.82182%0.816SS**  trans-141.6120.9165.3-65.1-173.3000107.6
296D36.1Very low33.5Very low136 Ų136153.9 Ų153.973%0.72781%0.814SS**  trans-88.2172.7176-87.6-57.3000112.6H294H294-D296 IonicContact CD2-OD2 3.44Å; H294-D296 PolarHBondContact CD2-OD2 3.43Å; H294-D296 IonicContact NE2-OD1 2.68Å; H294-D296 IonicContact NE2-OD2 3.66Å; H294-D296 PolarHBondContact NE2-OD2 3.4Å
297G29.1Very low33.7Very low74 Ų74155.7 Ų155.776%0.76382%0.818SS**  trans179.562.8173.900000115.5
298M34.2Very low33.6Very low187 Ų187155 Ų15592%0.92181%0.814SS**  trans-134.6122.9160.8-69.4-165.4-170.500110.2
299E35.2Very low33.5Very low203 Ų203154.6 Ų154.695%0.94981%0.805SS**PPolyproline II helixtrans-75.4136.8178.5-63.6174.811300111.4
300T33.4Very low33.5Very low140 Ų140156.9 Ų156.986%0.85981%0.81SS**PPolyproline II helixtrans-103.9131167.147.60000109.2
301Q38.4Very low33.5Very low203 Ų203154.8 Ų154.895%0.94980%0.804SS**PPolyproline II helixtrans-102127.4168-154.3172.637.600110
302Q35.6Very low33.4Very low148 Ų148157 Ų15769%0.69281%0.809SS**PPolyproline II helixtrans-96.2134.2-169.8175.8-178.6-3.200110.8
303Q37.3Very low33.1Very low205 Ų205152.9 Ų152.996%0.95880%0.804SS**  trans-134.8135.8154.5-94.4-175.9200109.7
304Q35.2Very low34Very low149 Ų149149 Ų14970%0.69679%0.794SS**  trans-139.3112.1-164.2-1751744.400108.1
305M36.3Very low33.9Very low189 Ų189150.2 Ų150.293%0.93180%0.798SS**  trans-104.8143.7173.5-79.6-73.6-80.100109.6
306Q36.6Very low33.7Very low168 Ų168149.7 Ų149.779%0.78579%0.792SS**  trans-93147.6-164.8-57.9165.80.900111.2
307H34.3Very low33.4Very low194 Ų194150 Ų15090%0.89879%0.794SS**  -166.5173.5119.5-103.5-59.9000111.5
308N29.7Very low33.3Very low139 Ų139154 Ų15474%0.74380%0.797SS**  trans-122.5132.3-151-1608.2000113.1
309S29.7Very low33.9Very low98 Ų98150.4 Ų150.469%0.68579%0.788SS**  trans28.2111.9145.8-53.40000121.7
310S27.7Very low33.8Very low115 Ų115146.4 Ų146.480%0.80478%0.776SS**  87.4164.9113.3-158.30000121.7
311V30Very low33.5Very low114 Ų114146.5 Ų146.569%0.69177%0.772SS**  trans101.8121.1155.5-168.90000119.9
312H27.2Very low33.1Very low184 Ų184145 Ų14585%0.85277%0.765SS**  trans64132.7159.2-83-65.6000125
313A27.8Very low32.7Very low78 Ų78142.7 Ų142.765%0.64577%0.771SS**  trans-116.8-167.6150.200000107.2
314P52.7Low32.2Very low100 Ų100138.4 Ų138.465%0.64976%0.763SS**  cis-143.6-161.73.529.1-1.1000115.7
315F29.2Very low31.9Very low171 Ų171135.9 Ų135.975%0.7576%0.762SS**  trans113.1131.8143.7-78.7-56.4000123.3
316H32.8Very low31.8Very low149 Ų149134.1 Ų134.169%0.6975%0.752SS**  trans60.1145.9154-73.3-73.7000119.8
317N29.3Very low31.5Very low142 Ų142132.8 Ų132.876%0.75975%0.745SS**  cis-145.6172.214.1-120.1-26.4000114.7
318L26.4Very low31.4Very low159 Ų159129.9 Ų129.983%0.83273%0.732SS**  trans-102.3-173.9-179.5-72.2165.6000111.5
319P47.8Very low31.4Very low111 Ų111131.3 Ų131.372%0.72173%0.734SS**  cis-116.2-155.5-729.5-5.6000110.8
320V31.7Very low31.3Very low118 Ų118129.7 Ų129.772%0.71573%0.733SS**  cis-146-174.69.6-125.60000107.3
321N28.1Very low31.5Very low143 Ų143131.5 Ų131.577%0.76574%0.739SS**  cis-147.9-172.413.9-151.5-14.5000111.7
322H29.2Very low31.6Very low172 Ų172136.1 Ų136.180%0.79675%0.75SS**  trans-101.2143.4-167.9-74.2-100.7000117.3
323A27Very low31.7Very low99 Ų99132.3 Ų132.382%0.81875%0.751SS**  -158.8129.2124.400000111.9
324S27.1Very low31.7Very low114 Ų114134.7 Ų134.780%0.79776%0.762SS**  trans-11.7133.3170.7-56.40000120.2
325S29.7Very low30.5Very low97 Ų97140.7 Ų140.768%0.67877%0.774SS**  74.5128.963.1-158.50000112.7
326Q34.2Very low30.5Very low152 Ų152143.2 Ų143.271%0.7178%0.778SS**  cis-158.715812.4-135.8166.5-11.800112.6
327Q30.4Very low30.3Very low140 Ų140146 Ų14665%0.65478%0.783SS**  trans34.6147.6138.5-78.7177.3-94.400122.4
328E31.9Very low30.3Very low133 Ų133145.2 Ų145.262%0.62178%0.783SS**  cis-157.2171.716.8-122.9-173167.700115.7
329Q30.2Very low30.4Very low169 Ų169146.9 Ų146.979%0.7978%0.779SS**  trans11.3146.2155.9-51.9176.94200121.6
330G27.9Very low29.5Very low63 Ų63145.8 Ų145.865%0.64978%0.78SS**  cis163.5-179.3-200000114.6
331T30.9Very low29.4Very low154 Ų154149 Ų14995%0.94579%0.787SS**  trans77.4162.8171.576.50000120
332K32.9Very low29.9Very low211 Ų211148.1 Ų148.192%0.91779%0.789SS**  trans-132.2147.2-170.2-53.9166.7-178.5170.50110.7
333A28.1Very low30Very low104 Ų104147.8 Ų147.886%0.8679%0.792SS**  trans-162137.4148.900000112.5
334S28.5Very low30.2Very low127 Ų127147.2 Ų147.289%0.88879%0.788SS**  trans-86147.2168.8-570000110.6
335Y26.3Very low30.4Very low226 Ų226151.2 Ų151.289%0.88679%0.794SS**  trans-119.7136.3167.3-152.3-90.3000112.9
336R29.3Very low30.6Very low225 Ų225152.8 Ų152.885%0.84980%0.799SS**  trans-103.2108.5-168.3-168.9-176.2-164.5175.64.6109.3V338R336-V338 PolarHBondContact O-N 3.45Å
337R29.3Very low30.6Very low208 Ų208154.7 Ų154.779%0.78581%0.808SS**  trans-88.4109.2177.3-106.5-177.1-176.2153.95.4112
338V29.6Very low30.7Very low125 Ų125152.9 Ų152.976%0.75881%0.811SS**  trans-85.6135.1163.7178.30000108.3R336R336-V338 PolarHBondContact O-N 3.45Å
339Y29.3Very low30.8Very low193 Ų193154.8 Ų154.876%0.75782%0.819SS**  trans-104.9114.5168.2-80-84.8000109.4
340A27.5Very low30.8Very low89 Ų89155.9 Ų155.974%0.73682%0.818SS**PPolyproline II helixtrans-92.3152.4171.700000110.9
341H29.9Very low31.2Very low186 Ų186158.2 Ų158.286%0.86181%0.814SS**PPolyproline II helixtrans-74.4134.8174.4-76.6-88.1000111.6
342P38.1Very low31.4Very low124 Ų124157.2 Ų157.281%0.80580%0.799SS**PPolyproline II helixtrans-85.1120156.232.3-28.3000109.6
343N31.6Very low31.5Very low164 Ų164154.6 Ų154.688%0.87779%0.79SS**  trans-139.893.9162.7-172.131.9000107.1
344A31.5Very low31.7Very low87 Ų87159.1 Ų159.172%0.71979%0.793SS**  trans-120.1126.9-171.400000110.2
345Q32.2Very low32.2Very low198 Ų198159.5 Ų159.593%0.92579%0.79SS**  trans-69.8142.8165-65.4160.3-70.800108.6
346V33.4Very low33.2Very low131 Ų131153.4 Ų153.479%0.79478%0.778SS**  trans-117.5127.3168.5179.20000107.8
347H34.3Very low33.2Very low191 Ų191153.4 Ų153.488%0.88478%0.78SS**  trans-139.2114.1178.2-155.8-154.7000107.3
348S32.5Very low33.7Very low103 Ų103151.1 Ų151.172%0.7278%0.783SS**  trans-157.2119.9175.555.20000111
349H32.6Very low34.4Very low172 Ų172150.6 Ų150.680%0.79678%0.781SS**  trans-77.6149.9158.2-97.2-118.4000109.3
350Y31.4Very low35Very low193 Ų193147.3 Ų147.376%0.75778%0.784SS**  -172.8-177.990.4-150.5-108.8000111.6
351L37Very low35.4Very low111 Ų111148.3 Ų148.358%0.58179%0.786SS**  trans-69174.7-166.9-58.9-177.8000113.9
352Q33.6Very low36.1Very low133 Ų133145.2 Ų145.262%0.62178%0.782SS**  cis-163.1150.133.3-154.8132.6-26.900117
353Q35.9Very low36.2Very low157 Ų157145.1 Ų145.173%0.73478%0.781SS**  trans50106.8152.8-75.916611.500121.1
354Q32.8Very low36Very low198 Ų198142.9 Ų142.993%0.92578%0.779SS**  -155.2143.8127.2-109.417135.700110.6
355V37.6Very low36Very low135 Ų135144.3 Ų144.382%0.81878%0.783SS**  trans-155.4153.6-176.7-133.90000106
356P47.1Very low36Very low99 Ų99143.9 Ų143.964%0.64378%0.781SS**  cis-128.6177.56.443.5-29.4000115
357Y31.1Very low36.3Very low224 Ų224143.7 Ų143.788%0.87878%0.782SS**  -171.2138.1116.7-112.9-78000110.9
358L39.4Very low36Very low161 Ų161138.5 Ų138.584%0.84378%0.781SS**  trans-132.5125.6175.7-101.7158.8000108.5
359P43.3Very low35.7Very low113 Ų113139.2 Ų139.273%0.73479%0.786SS**PPolyproline II helixtrans-77.6153.9165.832.3-32.5000110.9
360P43Very low36.2Very low124 Ų124136.2 Ų136.281%0.80578%0.782SS**PPolyproline II helixtrans-91.8156.4-161.535.3-37.3000115.4
361S34.8Very low36.3Very low111 Ų111133.8 Ų133.878%0.77678%0.782SS**PPolyproline II helixtrans-74144.6161-49.60000111.1
362P45Very low36Very low120 Ų120138.1 Ų138.178%0.77979%0.791SS**PPolyproline II helixtrans-72.3151.9169.431.2-34.3000111.6
363P41Very low35.7Very low123 Ų123139.4 Ų139.480%0.79980%0.796SS**PPolyproline II helixtrans-83149.6-173.633.1-35.9000113.9
364S27.5Very low35.5Very low117 Ų117140.7 Ų140.782%0.81880%0.8SS**PPolyproline II helixtrans-89.9130.8165.553.40000110.9
365S31.1Very low35.5Very low117 Ų117139 Ų13982%0.81879%0.792SS**  trans-153.8109.8171.8-61.50000111.6
366E32.7Very low35.3Very low189 Ų189139.3 Ų139.388%0.88379%0.788SS**  trans-95.4173.1156.6-74.1-156.2143.300109.1
367P39.7Very low34.5Very low126 Ų126141.6 Ų141.682%0.81879%0.794SS**  cis-125.7169.31.240-25.9000114.8
368G26.4Very low34.5Very low82 Ų82138.9 Ų138.985%0.84579%0.789SS**  trans-175.5121.5169.500000114.4
369S26.2Very low33.9Very low119 Ų119137.8 Ų137.883%0.83279%0.789SS**  trans-162.6152.6176.9-165.30000107.9
370P43.9Very low33.2Very low109 Ų109141.1 Ų141.171%0.70880%0.8SS**  cis-132-172.812.637.5-18000116.1
371D32.6Very low32.6Very low142 Ų142140.7 Ų140.776%0.75980%0.8SS**  trans106.2150135.2-127.6-35.8000121.5
372R30.8Very low32.9Very low202 Ų202140.4 Ų140.476%0.76280%0.796SS**  trans75.883.8164.2-63.6-166.5172.7-167.4-3.9122.8
373Q28.6Very low32.4Very low159 Ų159140.5 Ų140.574%0.74380%0.796SS**  72.3143.5108.4-76.4178.3-35.100122.6
374K31.4Very low32.2Very low185 Ų185140.8 Ų140.880%0.80480%0.798SS**  trans72.9142.1165.9-66.8179.7179.5-175.80117.6
375E33.1Very low32.4Very low162 Ų162141 Ų14176%0.75780%0.799SS**  cis-168.8174.7-28.7-131.4-166.8125.100109.1
376L31.8Very low32.3Very low142 Ų142146.1 Ų146.174%0.74380%0.802SS**  trans9291.8167.2-55.6174.9000120.2
377L30.9Very low32Very low146 Ų146141.4 Ų141.476%0.76480%0.795SS**  52.2112.5124.1-73.7163.5000121.9
378H30.6Very low31.6Very low167 Ų167139.3 Ų139.377%0.77379%0.789SS**  trans0.5130.5143.5-54.6116.9000120
379T26.9Very low31.8Very low139 Ų139142.3 Ų142.385%0.85379%0.791SS**  -172.595.2123.316.30000111.9
380L29.5Very low32Very low182 Ų182144 Ų14495%0.95379%0.789SS**  trans-140125.6160.7-78.5-179.4000110
381S30.1Very low31.3Very low115 Ų115143 Ų14380%0.80479%0.79SS**PPolyproline II helixtrans-98.2131.6179-174.70000110.3
382P41.2Very low31.2Very low106 Ų106141.7 Ų141.769%0.68879%0.792SS**PPolyproline II helixtrans-73.8149.9168.731.7-33.4000111
383P34.3Very low31.3Very low121 Ų121141.2 Ų141.279%0.78680%0.795SS**PPolyproline II helixtrans-69150.1-178.528.8-35.2000112.5
384P37.7Very low31.4Very low129 Ų129142 Ų14284%0.83880%0.804SS**PPolyproline II helixtrans-74.5142.9-170.929.8-35.9000113.6
385S31.7Very low31.3Very low121 Ų121138.2 Ų138.285%0.84681%0.807SS**  trans-83.1177.716360.90000111.4
386Y27.1Very low31.2Very low226 Ų226134 Ų13489%0.88681%0.807SS**  trans-104.2152.2-164.3-171.2-97.1000112.6
387A28.2Very low31.1Very low89 Ų89131.7 Ų131.774%0.73681%0.808SS**  trans71.9150.9-173.200000115
388A29.9Very low31.3Very low82 Ų82131.1 Ų131.168%0.67881%0.811SS**  cis-137.3166.88.800000113.3
389T30.2Very low32.1Very low145 Ų145129.2 Ų129.289%0.8981%0.813SS**  trans-141.3127.6163.8-590000108
390I32Very low32.2Very low154 Ų154126.1 Ų126.179%0.7981%0.809SS**  trans-129.8144.7-176.5-76.4-179.5000110
391A29.2Very low32.3Very low90 Ų90126 Ų12674%0.74481%0.809SS**  trans66.5116.8164.100000120.1
392S30.5Very low32.1Very low113 Ų113124.1 Ų124.179%0.7981%0.807SS**  trans-160.7138.1152.1-84.70000105.8
393K32.3Very low32.3Very low192 Ų192125.6 Ų125.684%0.83582%0.816SS**  cis-151.4169.8-1.1-99169.5179.6179.90108
394L30.5Very low32Very low177 Ų177124.6 Ų124.693%0.92782%0.818SS**  trans-126159.9162.8-84.5172.4000110.7
395A30.5Very low31.5Very low105 Ų105122.5 Ų122.587%0.86881%0.812SS**  trans65.1146.1-171.100000115.6
396G30Very low31.6Very low74 Ų74125 Ų12576%0.76381%0.811SS**  cis-174.8173.5-2.600000113.9
397A30.6Very low31.9Very low92 Ų92121.2 Ų121.276%0.7681%0.811SS**  trans-38.6161176.100000118.9
398T34.7Very low32.1Very low135 Ų135121.9 Ų121.983%0.82881%0.806SS**  cis-150.1-129.5-7.827.90000111.7
399P46.2Very low32.5Very low126 Ų126124.4 Ų124.482%0.81881%0.813SS**  -123.3165.9-117.239.2-21.3000117
400G29.6Very low32.8Very low74 Ų74125.5 Ų125.576%0.76381%0.808SS**  trans-160.9109.6172.300000114.8
401L31.4Very low32.9Very low181 Ų181126 Ų12695%0.94881%0.813SS**  trans16.7135.6156.5-58.7168.9000121.1
402G27.1Very low33.1Very low74 Ų74127.4 Ų127.476%0.76382%0.817SS**  trans-82-152.2173.700000115
403P43.9Very low33.4Very low137 Ų137124.8 Ų124.889%0.8981%0.808SS**  cis-125.6-170.536.641.9-28.6000115.6
404A29.2Very low33.8Very low100 Ų100121.6 Ų121.683%0.82680%0.804SS**  trans-89.7157-166.900000115.9
405A27.1Very low34.5Very low86 Ų86118.7 Ų118.771%0.71179%0.794SS**  trans-155.8129.1151.200000113.6
406Q33.4Very low35.1Very low174 Ų174124.1 Ų124.181%0.81379%0.792SS**  trans58.693.7142.4-611743100120T408Q406-T408 PolarHBondContact O-N 2.72Å
407T32.9Very low35.4Very low146 Ų146130.7 Ų130.790%0.89680%0.795SS**  trans-48.5119.3153.1-25.80000110.9
408T33.4Very low36.1Very low102 Ų102132.7 Ų132.763%0.62679%0.793SS**  trans-125.2110172.6-590000109.8Q406 Q410Q406-T408 PolarHBondContact O-N 2.72Å; T408-Q410 HydrophobicContact CG2-CG 4.23Å; T408-Q410 PolarHBondContact O-N 2.95Å
409T38.5Very low36.9Very low136 Ų136136.8 Ų136.883%0.83479%0.793SS**  trans-72.883.9178.833.40000111.5N411T409-N411 PolarHBondContact O-N 2.97Å
410Q35.2Very low37.1Very low168 Ų168142.2 Ų142.279%0.78580%0.798SS**  trans-76.4116.6171.6-65.6-160.7-0.700110.6T408 S412T408-Q410 HydrophobicContact CG2-CG 4.23Å; T408-Q410 PolarHBondContact O-N 2.95Å; Q410-S412 PolarHBondContact O-N 3.33Å; Q410-S412 VanDerWaalsContact O-N 3.1Å
411N34.6Very low37.9Very low165 Ų165145.5 Ų145.588%0.88280%0.797SS**  trans-61.8109.8174-90.4-56.3000110.4T409 G413T409-N411 PolarHBondContact O-N 2.97Å; N411-G413 PolarHBondContact O-N 3.41Å
412S33.7Very low38.6Very low118 Ų118141 Ų14183%0.82578%0.775SS**  trans-69.965.1167.9-66.70000111.3Q410 T414Q410-S412 PolarHBondContact O-N 3.33Å; Q410-S412 VanDerWaalsContact O-N 3.1Å; S412-T414 PolarHBondContact O-N 3.07Å
413G37.3Very low39.9Very low58 Ų58142.5 Ų142.560%0.59877%0.771SS**  trans-57.2119.6174.400000109.7N411 V415N411-G413 PolarHBondContact O-N 3.41Å; G413-V415 PolarHBondContact O-N 3.04Å
414T40.2Very low40.3Very low125 Ų125142.3 Ų142.377%0.76776%0.762SS**  trans-68.996.2-174.744.40000110.7S412 R416S412-T414 PolarHBondContact O-N 3.07Å; T414-R416 VanDerWaalsContact C-N 3.34Å; T414-R416 PolarHBondContact O-N 3.31Å
415V44.7Very low41.5Very low117 Ų117141.8 Ų141.871%0.70975%0.745SS**  trans-61.396.7173.8179.70000108.5G413 Y417G413-V415 PolarHBondContact O-N 3.04Å; V415-Y417 VanDerWaalsContact C-N 3.27Å; V415-Y417 HydrophobicContact CG1-CD2 4.12Å; V415-Y417 HydrophobicContact CG1-CE2 4.23Å; V415-Y417 PolarHBondContact O-N 3.01Å
416R43.9Very low42.7Very low218 Ų218146.2 Ų146.282%0.82375%0.751SS**  trans-65.687.2174.7-70.1-179.8178.9164.9-0.6108.8T414 N418T414-R416 VanDerWaalsContact C-N 3.34Å; T414-R416 PolarHBondContact O-N 3.31Å; R416-N418 PolarHBondContact O-N 3.36Å
417Y35.2Very low43.8Very low213 Ų213147.2 Ų147.284%0.83575%0.753SS**  trans-55.6107.2177.3-105.2-89.6000110.1V415 R419V415-Y417 VanDerWaalsContact C-N 3.27Å; V415-Y417 HydrophobicContact CG1-CD2 4.12Å; V415-Y417 HydrophobicContact CG1-CE2 4.23Å; V415-Y417 PolarHBondContact O-N 3.01Å; Y417-R419 VanDerWaalsContact C-N 3.29Å; Y417-R419 PolarHBondContact O-N 3.04Å
418N45.9Very low45.2Very low134 Ų134148.4 Ų148.472%0.71774%0.741SS**  trans-71.184-178.1-85.9-49.9000110.2R416 R420 N421R416-N418 PolarHBondContact O-N 3.36Å; N418-R420 PolarHBondContact O-N 2.93Å; N418-N421 PolarHBondContact O-N 2.85Å
419R51.4Low47.1Very low220 Ų220152.9 Ų152.983%0.8375%0.746SS**G310 helixtrans-49.8-12-177.7-170.6-179.1-73.3-173.4-2.8115.3Y417Y417-R419 VanDerWaalsContact C-N 3.29Å; Y417-R419 PolarHBondContact O-N 3.04Å
420R50.8Low49.3Very low241 Ų241150.9 Ų150.991%0.90973%0.729SS**G310 helixtrans-76.6-23.5176.7-64.7-179.7-178.7156.82.3113.7N418N418-R420 PolarHBondContact O-N 2.93Å
421N46.5Very low51.7Low142 Ų142145 Ų14576%0.75970%0.702SS**G310 helixtrans-120.236.9-172.9-65.421.3000113.1N418 P423N418-N421 PolarHBondContact O-N 2.85Å; N421-P423 WeakPolarHBondContact O-CD 3.27Å
422N44.7Very low54.2Low88 Ų88142.2 Ų142.247%0.47168%0.683SS.*  trans-93.3112.6166.1-174.92.3000109.6D424 L425N422-D424 PolarHBondContact O-N 3.49Å; N422-D424 WeakPolarHBondContact OD1-CB 3.36Å; N422-D424 PolarHBondContact OD1-N 3.03Å; N422-L425 PolarHBondContact O-N 3.33Å
423P55.2Low56.9Low104 Ų104137 Ų13768%0.67565%0.647SS**G310 helixtrans-65.3-23.117827.5-34.9000113.2N421 L425 E426N421-P423 WeakPolarHBondContact O-CD 3.27Å; P423-L425 PolarHBondContact O-N 3.3Å; P423-E426 VanDerWaalsContact O-CB 3.3Å; P423-E426 WeakPolarHBondContact O-CB 3.49Å; P423-E426 PolarHBondContact O-N 3.29Å
424D51.8Low59.2Low134 Ų134141 Ų14172%0.71765%0.654SS**G310 helixtrans-67.3-4.7-179.5-147.85.6000113.4N422 E426N422-D424 PolarHBondContact O-N 3.49Å; N422-D424 WeakPolarHBondContact OD1-CB 3.36Å; N422-D424 PolarHBondContact OD1-N 3.03Å; D424-E426 PolarHBondContact O-N 3.41Å
425L55.3Low61.3Low88 Ų88140.2 Ų140.246%0.46164%0.638SS.*G310 helixtrans-74-3.6166.7-71.8171.4000113.7N422 P423 K427 R428N422-L425 PolarHBondContact O-N 3.33Å; P423-L425 PolarHBondContact O-N 3.3Å; L425-K427 PolarHBondContact O-N 3.47Å; L425-R428 WeakPolarHBondContact O-CG 3.34Å; L425-R428 PolarHBondContact O-N 3.39Å
426E52.1Low63.2Low179 Ų179139.7 Ų139.784%0.83664%0.637SS**G310 helixtrans-65-22.6179.2-171.3151.1-153.200112.8P423 D424 R428P423-E426 VanDerWaalsContact O-CB 3.3Å; P423-E426 WeakPolarHBondContact O-CB 3.49Å; P423-E426 PolarHBondContact O-N 3.29Å; D424-E426 PolarHBondContact O-N 3.41Å; E426-R428 PolarHBondContact O-N 2.82Å
427K56.1Low65.1Low196 Ų196133.2 Ų133.285%0.85264%0.639SS**G310 helixtrans-82.637.5173.8-140.4164.1-166.31670114.3L425 R429L425-K427 PolarHBondContact O-N 3.47Å; K427-R429 VanDerWaalsContact C-N 3.25Å; K427-R429 PolarHBondContact O-N 2.88Å
428R61.9Low67.5Low171 Ų171124.2 Ų124.265%0.64561%0.606SS**  trans-63.986.1162.1-79.5-174.5-169-159.75.3109.6L425 E426 I430L425-R428 WeakPolarHBondContact O-CG 3.34Å; L425-R428 PolarHBondContact O-N 3.39Å; E426-R428 PolarHBondContact O-N 2.82Å; R428-I430 PolarHBondContact O-N 2.82Å
429R73.4Confident69.6Low195 Ų195127.2 Ų127.274%0.73661%0.613SS**  trans-52109.5175.7-169.9-178.4-62.4-165.42.7109.3K427 H431K427-R429 VanDerWaalsContact C-N 3.25Å; K427-R429 PolarHBondContact O-N 2.88Å; R429-H431 PolarHBondContact O-CD2 3.35Å; R429-H431 PolarHBondContact O-N 3.2Å
430I85.3Confident71.4Confident94 Ų94122 Ų12248%0.48260%0.596SS.*  trans-75.6123.4174.7-57.2-179.6000106.8R428 V441R428-I430 PolarHBondContact O-N 2.82Å; I430-V441 HydrophobicContact CG2-CB 3.87Å; I430-V441 HydrophobicContact CG2-CG2 4.32Å
431H85.9Confident73.3Confident45 Ų45114.5 Ų114.521%0.20858%0.577CS.*EExtended strand (participates in β ladder)trans-92.499.5178.7-66.2-84.3000108.3R429 V441 Y442 K444 S445 L448R429-H431 PolarHBondContact O-CD2 3.35Å; R429-H431 PolarHBondContact O-N 3.2Å; H431-V441 CarbonylContact O-C 3.39Å; H431-V441 WeakPolarHBondContact O-CA 3.41Å; H431-Y442 WeakPolarHBondContact CB-O 3.24Å; H431-Y442 PolarHBondContact N-O 3.36Å; H431-Y442 PolarHBondContact O-N 3.07Å; H431-K444 VanDerWaalsContact CD2-C 3.46Å; H431-S445 PolarHBondContact CD2-N 3.37Å; H431-S445 VanDerWaalsContact CD2-N 3.3Å; H431-S445 PolarHBondContact NE2-N 2.65Å; H431-L448 HydrophobicContact CB-CB 3.94Å; H431-L448 HydrophobicContact CB-CD2 3.88Å; H431-L448 HydrophobicContact CB-CG 4.47Å
432H86.7Confident75.4Confident106 Ų106110.1 Ų110.149%0.49155%0.551SS.*EExtended strand (participates in β ladder)trans-72.8158.6172.6-57-62000110.5V441 L448H432-V441 WeakPolarHBondContact ND1-CG1 3.31Å; H432-L448 VanDerWaalsContact O-CD1 3.31Å; H432-L448 WeakPolarHBondContact O-CD1 3.3Å; H432-L448 VanDerWaalsContact O-CD2 3.27Å; H432-L448 WeakPolarHBondContact O-CD2 3.23Å
433C89.6Confident77.5Confident10 Ų10110.5 Ų110.57%0.06856%0.556CS.*  trans-98.5114170.6-1740000109.4Y435 C438 K440 L448 H451C433-Y435 PolarHBondContact O-N 2.68Å; C433-C438 HydrophobicContact CB-CB 4.28Å; C433-K440 WeakPolarHBondContact CB-O 3.48Å; C433-K440 PolarHBondContact N-O 2.89Å; C433-L448 HydrophobicContact CB-CD1 3.94Å; C433-H451 PolarHBondContact SG-NE2 2.79Å; C433-H451 VanDerWaalsContact SG-NE2 3.42Å
434D86.8Confident78.9Confident140 Ų140111 Ų11175%0.74955%0.548SS*.  trans-81.46.3-173.8-45.4-55.5000113.2
435Y84.8Confident80.5Confident109 Ų109108.1 Ų108.143%0.42754%0.538SS..SBendtrans-75.1132.1179.2-172.4-91.9000111.2C433 G437 C438 H455C433-Y435 PolarHBondContact O-N 2.68Å; Y435-G437 PolarHBondContact O-N 3.26Å; Y435-C438 VanDerWaalsContact O-CB 3.32Å; Y435-C438 WeakPolarHBondContact O-CB 3.34Å; Y435-C438 PolarHBondContact O-N 2.82Å; Y435-H455 HydrophobicContact CD1-CB 4.06Å; Y435-H455 AromaticContact CD1-CE1 3.52Å; Y435-H455 AromaticContact CD1-CG 3.56Å; Y435-H455 AromaticContact CD1-ND1 3.19Å; Y435-H455 WeakPolarHBondContact CD1-ND1 3.35Å; Y435-H455 HydrophobicContact CD2-CB 3.55Å; Y435-H455 AromaticContact CD2-CG 3.92Å; Y435-H455 HydrophobicContact CE1-CB 4.24Å; Y435-H455 AromaticContact CE1-ND1 3.43Å; Y435-H455 WeakPolarHBondContact CE1-ND1 3.43Å; Y435-H455 HydrophobicContact CE2-CB 3.75Å; Y435-H455 HydrophobicContact CG-CB 3.7Å; Y435-H455 AromaticContact CG-CD2 3.86Å; Y435-H455 AromaticContact CG-CG 3.49Å; Y435-H455 VanDerWaalsContact CG-CG 3.49Å; Y435-H455 AromaticContact CG-ND1 3.66Å
436P84.6Confident81.9Confident106 Ų106107.4 Ų107.469%0.68854%0.541SS*.THydrogen-bonded Turntrans-56.2132.3-176.121.8-33.9000112.4C438P436-C438 PolarHBondContact O-N 2.83Å
437G83.4Confident83.6Confident83 Ų83103.3 Ų103.386%0.85652%0.521SS*.THydrogen-bonded Turntrans79.6-11.5-17600000115.3Y435Y435-G437 PolarHBondContact O-N 3.26Å
438C86.3Confident85.1Confident23 Ų2395 Ų9516%0.15549%0.486CS..  trans-82.6139.2173.7-160.60000111.8C433 Y435 P436 H451 H455C433-C438 HydrophobicContact CB-CB 4.28Å; Y435-C438 VanDerWaalsContact O-CB 3.32Å; Y435-C438 WeakPolarHBondContact O-CB 3.34Å; Y435-C438 PolarHBondContact O-N 2.82Å; P436-C438 PolarHBondContact O-N 2.83Å; C438-H451 PolarHBondContact SG-NE2 2.96Å; C438-H455 WeakPolarHBondContact CB-NE2 3.28Å; C438-H455 PolarHBondContact SG-NE2 3.47Å
439K89Confident86.1Confident197 Ų19793.8 Ų93.886%0.85749%0.485SS*.  trans-125.822.2176.1-60.2-173.3-179.3-177.90112.4
440K89.9Confident86.5Confident111 Ų11185.7 Ų85.748%0.48346%0.46SS..  trans-84.7144-178.7-63.5-172.8-169.3170.30111.1C433 Y442C433-K440 WeakPolarHBondContact CB-O 3.48Å; C433-K440 PolarHBondContact N-O 2.89Å; K440-Y442 HydrophobicContact CB-CE2 3.67Å; K440-Y442 WeakPolarHBondContact CD-OH 3.42Å
441V90.5Very high86.5Confident84 Ų8481.7 Ų81.751%0.50944%0.439SS..EExtended strand (participates in β ladder)trans-136.1145.2-174.6-50.90000110.5I430 H431 H432I430-V441 HydrophobicContact CG2-CB 3.87Å; I430-V441 HydrophobicContact CG2-CG2 4.32Å; H431-V441 CarbonylContact O-C 3.39Å; H431-V441 WeakPolarHBondContact O-CA 3.41Å; H432-V441 WeakPolarHBondContact ND1-CG1 3.31Å
442Y89.6Confident86.3Confident50 Ų5082.5 Ų82.520%0.19645%0.445CS..EExtended strand (participates in β ladder)trans-135.9139.8-168.5-63.5-86.5000111.9H431 K440 K444 H447 L448 H451H431-Y442 WeakPolarHBondContact CB-O 3.24Å; H431-Y442 PolarHBondContact N-O 3.36Å; H431-Y442 PolarHBondContact O-N 3.07Å; K440-Y442 HydrophobicContact CB-CE2 3.67Å; K440-Y442 WeakPolarHBondContact CD-OH 3.42Å; Y442-K444 VanDerWaalsContact C-N 3.26Å; Y442-K444 PolarHBondContact O-N 3.34Å; Y442-H447 HydrophobicContact CD1-CB 3.54Å; Y442-H447 HydrophobicContact CE1-CB 4.32Å; Y442-H447 HydrophobicContact CG-CB 4.12Å; Y442-L448 HydrophobicContact CD2-CB 4.27Å; Y442-L448 HydrophobicContact CD2-CD1 4.18Å; Y442-L448 HydrophobicContact CG-CB 4.47Å; Y442-H451 HydrophobicContact CE1-CB 4.33Å; Y442-H451 HydrophobicContact CE2-CB 3.93Å; Y442-H451 AromaticContact CE2-CD2 3.26Å; Y442-H451 WeakPolarHBondContact CE2-CD2 3.39Å; Y442-H451 AromaticContact CE2-CG 3.79Å; Y442-H451 AromaticContact CZ-CD2 3.6Å; Y442-H451 AromaticContact CZ-CG 3.67Å; Y442-H451 PolarHBondContact OH-CD2 3.24Å; Y442-H451 VanDerWaalsContact OH-CD2 3.31Å
443T88.6Confident85.9Confident96 Ų9679.9 Ų79.959%0.58943%0.43SS*.SBendtrans-86.16.5176.553.60000113.6
444K86.1Confident85.4Confident114 Ų11483.8 Ų83.850%0.49645%0.454SS..SBendtrans-147135178.9-64.1-172.2-178.5-177.70110.8H431 Y442 S446 H447 L448H431-K444 VanDerWaalsContact CD2-C 3.46Å; Y442-K444 VanDerWaalsContact C-N 3.26Å; Y442-K444 PolarHBondContact O-N 3.34Å; K444-S446 VanDerWaalsContact C-N 3.28Å; K444-S446 PolarHBondContact O-N 3.38Å; K444-H447 HydrophobicContact CB-CB 4.39Å; K444-H447 PolarHBondContact O-N 2.83Å; K444-H447 VanDerWaalsContact O-N 3.11Å; K444-L448 PolarHBondContact O-N 2.84Å
445S85.3Confident84.9Confident74 Ų7479.1 Ų79.152%0.51743%0.427SS..Hα-helixtrans-55.9-39.8174.353.70000113H431 H447 L448 K449H431-S445 PolarHBondContact CD2-N 3.37Å; H431-S445 VanDerWaalsContact CD2-N 3.3Å; H431-S445 PolarHBondContact NE2-N 2.65Å; S445-H447 VanDerWaalsContact C-N 3.29Å; S445-H447 PolarHBondContact O-N 3.22Å; S445-L448 PolarHBondContact O-N 2.8Å; S445-K449 PolarHBondContact O-N 3.43Å
446S84.8Confident84.2Confident73 Ų7377.2 Ų77.251%0.5143%0.428SS..Hα-helixtrans-63.4-32.8177.857.60000113.2K444 A450K444-S446 VanDerWaalsContact C-N 3.28Å; K444-S446 PolarHBondContact O-N 3.38Å; S446-A450 WeakPolarHBondContact O-CB 3.49Å; S446-A450 PolarHBondContact O-N 3.11Å
447H87.4Confident82.7Confident92 Ų9277.1 Ų77.143%0.42644%0.436SS..Hα-helixtrans-75.1-36.6175.9-65.6-166000111.3Y442 K444 S445 H451Y442-H447 HydrophobicContact CD1-CB 3.54Å; Y442-H447 HydrophobicContact CE1-CB 4.32Å; Y442-H447 HydrophobicContact CG-CB 4.12Å; K444-H447 HydrophobicContact CB-CB 4.39Å; K444-H447 PolarHBondContact O-N 2.83Å; K444-H447 VanDerWaalsContact O-N 3.11Å; S445-H447 VanDerWaalsContact C-N 3.29Å; S445-H447 PolarHBondContact O-N 3.22Å; H447-H451 WeakPolarHBondContact O-CB 3.41Å; H447-H451 PolarHBondContact O-N 3.36Å
448L87.1Confident81.6Confident21 Ų2176.1 Ų76.111%0.1143%0.425CS..Hα-helixtrans-62.7-49.9170.5174.964.1000111H431 H432 C433 Y442 K444 S445 A450 H451 L452H431-L448 HydrophobicContact CB-CB 3.94Å; H431-L448 HydrophobicContact CB-CD2 3.88Å; H431-L448 HydrophobicContact CB-CG 4.47Å; H432-L448 VanDerWaalsContact O-CD1 3.31Å; H432-L448 WeakPolarHBondContact O-CD1 3.3Å; H432-L448 VanDerWaalsContact O-CD2 3.27Å; H432-L448 WeakPolarHBondContact O-CD2 3.23Å; C433-L448 HydrophobicContact CB-CD1 3.94Å; Y442-L448 HydrophobicContact CD2-CB 4.27Å; Y442-L448 HydrophobicContact CD2-CD1 4.18Å; Y442-L448 HydrophobicContact CG-CB 4.47Å; K444-L448 PolarHBondContact O-N 2.84Å; S445-L448 PolarHBondContact O-N 2.8Å; L448-A450 VanDerWaalsContact C-N 3.27Å; L448-A450 PolarHBondContact O-N 3.43Å; L448-H451 CarbonylContact O-C 3.58Å; L448-H451 WeakPolarHBondContact O-CA 3.24Å; L448-H451 WeakPolarHBondContact O-CB 3.48Å; L448-H451 PolarHBondContact O-N 3.16Å; L448-L452 HydrophobicContact CD1-CD1 4.27Å; L448-L452 HydrophobicContact CD1-CD2 4.34Å; L448-L452 HydrophobicContact CD1-CG 4.03Å; L448-L452 HydrophobicContact CG-CD1 4.03Å; L448-L452 HydrophobicContact CG-CG 4.26Å; L448-L452 WeakPolarHBondContact O-CG 3.49Å; L448-L452 PolarHBondContact O-N 3.3Å
449K83.4Confident80.7Confident147 Ų14779.3 Ų79.364%0.63944%0.438SS*.Hα-helixtrans-60-37.3179.4-168.8169.5-174.8173.50112.1S445S445-K449 PolarHBondContact O-N 3.43Å
450A81.8Confident80.2Confident24 Ų2474.6 Ų74.620%0.19842%0.417CS..Hα-helixtrans-69.8-29172.900000113.5S446 L448 R475S446-A450 WeakPolarHBondContact O-CB 3.49Å; S446-A450 PolarHBondContact O-N 3.11Å; L448-A450 VanDerWaalsContact C-N 3.27Å; L448-A450 PolarHBondContact O-N 3.43Å; A450-R475 HydrophobicContact CB-CG 4.21Å
451H84.4Confident79.6Confident10 Ų1072.6 Ų72.65%0.04642%0.416CS..Hα-helixtrans-77.8-36.6174.3170.536.2000113.1C433 C438 Y442 H447 L448 R453 T454 H455C433-H451 PolarHBondContact SG-NE2 2.79Å; C433-H451 VanDerWaalsContact SG-NE2 3.42Å; C438-H451 PolarHBondContact SG-NE2 2.96Å; Y442-H451 HydrophobicContact CE1-CB 4.33Å; Y442-H451 HydrophobicContact CE2-CB 3.93Å; Y442-H451 AromaticContact CE2-CD2 3.26Å; Y442-H451 WeakPolarHBondContact CE2-CD2 3.39Å; Y442-H451 AromaticContact CE2-CG 3.79Å; Y442-H451 AromaticContact CZ-CD2 3.6Å; Y442-H451 AromaticContact CZ-CG 3.67Å; Y442-H451 PolarHBondContact OH-CD2 3.24Å; Y442-H451 VanDerWaalsContact OH-CD2 3.31Å; H447-H451 WeakPolarHBondContact O-CB 3.41Å; H447-H451 PolarHBondContact O-N 3.36Å; L448-H451 CarbonylContact O-C 3.58Å; L448-H451 WeakPolarHBondContact O-CA 3.24Å; L448-H451 WeakPolarHBondContact O-CB 3.48Å; L448-H451 PolarHBondContact O-N 3.16Å; H451-R453 PolarHBondContact O-N 3.37Å; H451-R453 VanDerWaalsContact O-N 3.11Å; H451-T454 PolarHBondContact CE1-OG1 2.81Å; H451-T454 PolarHBondContact ND1-OG1 3.33Å; H451-T454 WeakPolarHBondContact O-CB 3.33Å; H451-T454 PolarHBondContact O-N 3.27Å; H451-T454 PolarHBondContact O-OG1 3.39Å; H451-H455 AromaticContact CE1-CD2 3.53Å; H451-H455 AromaticContact CE1-NE2 3.07Å; H451-H455 PolarHBondContact CE1-NE2 3.46Å; H451-H455 AromaticContact NE2-CD2 3.79Å; H451-H455 AromaticContact NE2-NE2 3.3Å; H451-H455 PolarHBondContact NE2-NE2 3.29Å
452L82.8Confident79.2Confident62 Ų6272.3 Ų72.333%0.32541%0.406SS..Hα-helixtrans-58-29178.7-71.1168.3000112L448 T454 H455 T456L448-L452 HydrophobicContact CD1-CD1 4.27Å; L448-L452 HydrophobicContact CD1-CD2 4.34Å; L448-L452 HydrophobicContact CD1-CG 4.03Å; L448-L452 HydrophobicContact CG-CD1 4.03Å; L448-L452 HydrophobicContact CG-CG 4.26Å; L448-L452 WeakPolarHBondContact O-CG 3.49Å; L448-L452 PolarHBondContact O-N 3.3Å; L452-T454 PolarHBondContact O-N 3.43Å; L452-T454 VanDerWaalsContact O-N 3.13Å; L452-H455 WeakPolarHBondContact O-CA 3.27Å; L452-H455 WeakPolarHBondContact O-CB 3.45Å; L452-H455 PolarHBondContact O-N 2.93Å; L452-T456 PolarHBondContact O-N 3.23Å; L452-T456 PolarHBondContact O-OG1 3.37Å
453R79Confident79.1Confident52 Ų5278.1 Ų78.120%0.19643%0.427CS..THydrogen-bonded Turntrans-62.6-10.4169.2-61.4-177.8176.1149.12115.7H451 E459 A474H451-R453 PolarHBondContact O-N 3.37Å; H451-R453 VanDerWaalsContact O-N 3.11Å; R453-E459 HydrophobicContact CB-CB 4.18Å; R453-E459 HydrophobicContact CG-CB 3.97Å; R453-E459 IonicContact NE-OE2 2.65Å; R453-A474 HydrophobicContact CB-CB 4.24Å; R453-A474 WeakPolarHBondContact CD-O 3.19Å; R453-A474 PolarHBondContact NH1-O 2.82Å
454T77.3Confident79.3Confident91 Ų9174 Ų7456%0.55840%0.402SS*.THydrogen-bonded Turntrans-90.7-4.6169.575.30000112.6H451 L452H451-T454 PolarHBondContact CE1-OG1 2.81Å; H451-T454 PolarHBondContact ND1-OG1 3.33Å; H451-T454 WeakPolarHBondContact O-CB 3.33Å; H451-T454 PolarHBondContact O-N 3.27Å; H451-T454 PolarHBondContact O-OG1 3.39Å; L452-T454 PolarHBondContact O-N 3.43Å; L452-T454 VanDerWaalsContact O-N 3.13Å
455H77.4Confident79.3Confident42 Ų4273.1 Ų73.119%0.19441%0.407CS..THydrogen-bonded Turntrans-112-42.2176.1-68.8-56.9000111.5Y435 C438 H451 L452 A457Y435-H455 HydrophobicContact CD1-CB 4.06Å; Y435-H455 AromaticContact CD1-CE1 3.52Å; Y435-H455 AromaticContact CD1-CG 3.56Å; Y435-H455 AromaticContact CD1-ND1 3.19Å; Y435-H455 WeakPolarHBondContact CD1-ND1 3.35Å; Y435-H455 HydrophobicContact CD2-CB 3.55Å; Y435-H455 AromaticContact CD2-CG 3.92Å; Y435-H455 HydrophobicContact CE1-CB 4.24Å; Y435-H455 AromaticContact CE1-ND1 3.43Å; Y435-H455 WeakPolarHBondContact CE1-ND1 3.43Å; Y435-H455 HydrophobicContact CE2-CB 3.75Å; Y435-H455 HydrophobicContact CG-CB 3.7Å; Y435-H455 AromaticContact CG-CD2 3.86Å; Y435-H455 AromaticContact CG-CG 3.49Å; Y435-H455 VanDerWaalsContact CG-CG 3.49Å; Y435-H455 AromaticContact CG-ND1 3.66Å; C438-H455 WeakPolarHBondContact CB-NE2 3.28Å; C438-H455 PolarHBondContact SG-NE2 3.47Å; H451-H455 AromaticContact CE1-CD2 3.53Å; H451-H455 AromaticContact CE1-NE2 3.07Å; H451-H455 PolarHBondContact CE1-NE2 3.46Å; H451-H455 AromaticContact NE2-CD2 3.79Å; H451-H455 AromaticContact NE2-NE2 3.3Å; H451-H455 PolarHBondContact NE2-NE2 3.29Å; L452-H455 WeakPolarHBondContact O-CA 3.27Å; L452-H455 WeakPolarHBondContact O-CB 3.45Å; L452-H455 PolarHBondContact O-N 2.93Å; H455-A457 PolarHBondContact O-N 3.21Å
456T69.4Low79.4Confident70 Ų7074.7 Ų74.743%0.42940%0.402SS..SBendtrans-70.594.3166.6-40.60000109.1L452 G458 E459L452-T456 PolarHBondContact O-N 3.23Å; L452-T456 PolarHBondContact O-OG1 3.37Å; T456-G458 PolarHBondContact O-N 3.33Å; T456-G458 VanDerWaalsContact O-N 3.09Å; T456-E459 HydrophobicContact CG2-CG 4.07Å; T456-E459 WeakPolarHBondContact CG2-OE1 3.38Å; T456-E459 PolarHBondContact O-N 3.5Å
457A53.6Low79.3Confident104 Ų10479.4 Ų79.486%0.8642%0.421SS*.THydrogen-bonded Turntrans-58.7114-174.600000111.4H455H455-A457 PolarHBondContact O-N 3.21Å
458G60.4Low79.2Confident61 Ų6179.8 Ų79.863%0.62943%0.434SS*.THydrogen-bonded Turntrans105.8-6.1173.900000116.4T456 K460T456-G458 PolarHBondContact O-N 3.33Å; T456-G458 VanDerWaalsContact O-N 3.09Å; G458-K460 VanDerWaalsContact C-N 3.25Å; G458-K460 PolarHBondContact O-N 3.48Å
459E67.7Low79.3Confident91 Ų9179.4 Ų79.443%0.42543%0.433SS..  trans-68.377.8177.9-94-162.2-12900113.2R453 T456 P461R453-E459 HydrophobicContact CB-CB 4.18Å; R453-E459 HydrophobicContact CG-CB 3.97Å; R453-E459 IonicContact NE-OE2 2.65Å; T456-E459 HydrophobicContact CG2-CG 4.07Å; T456-E459 WeakPolarHBondContact CG2-OE1 3.38Å; T456-E459 PolarHBondContact O-N 3.5Å; E459-P461 VanDerWaalsContact C-CD 3.47Å; E459-P461 VanDerWaalsContact O-CD 3.3Å; E459-P461 WeakPolarHBondContact O-CD 3.32Å
460K77.8Confident79.4Confident98 Ų9879.8 Ų79.843%0.42644%0.442SS..  trans-117.677.4176.6-67.3171.8153.4-146.80109.7G458 Y462 R472 F473G458-K460 VanDerWaalsContact C-N 3.25Å; G458-K460 PolarHBondContact O-N 3.48Å; K460-Y462 VanDerWaalsContact C-N 3.28Å; K460-Y462 PolarHBondContact O-N 2.87Å; K460-R472 HydrophobicContact CB-CB 3.63Å; K460-R472 HydrophobicContact CD-CB 4.07Å; K460-R472 VanDerWaalsContact CD-O 3.28Å; K460-R472 WeakPolarHBondContact CD-O 3.47Å; K460-R472 VanDerWaalsContact CE-O 3.3Å; K460-R472 WeakPolarHBondContact CE-O 3.44Å; K460-R472 HydrophobicContact CG-CB 4.47Å; K460-R472 PolarHBondContact NZ-O 3.43Å; K460-R472 PolarHBondContact O-NE 3.06Å; K460-R472 PolarHBondContact O-NH2 3.31Å; K460-F473 CarbonylContact C-O 3.54Å; K460-F473 VanDerWaalsContact CA-O 3.24Å; K460-F473 WeakPolarHBondContact CA-O 3.41Å
461P77.5Confident79.6Confident69 Ų6986.2 Ų86.245%0.44846%0.461SS..  trans-69.3-25.5-177.327.3-34.1000112.8E459 R463E459-P461 VanDerWaalsContact C-CD 3.47Å; E459-P461 VanDerWaalsContact O-CD 3.3Å; E459-P461 WeakPolarHBondContact O-CD 3.32Å; P461-R463 PolarHBondContact O-N 2.85Å
462Y82.6Confident79.8Confident78 Ų7892 Ų9231%0.30648%0.483SS..EExtended strand (participates in β ladder)trans-88.689.9-176.9-55.1-71.7000110.6K460 R472 F473 A474K460-Y462 VanDerWaalsContact C-N 3.28Å; K460-Y462 PolarHBondContact O-N 2.87Å; Y462-R472 CarbonylContact O-C 3.58Å; Y462-R472 WeakPolarHBondContact O-CA 3.28Å; Y462-F473 PolarHBondContact N-O 3.46Å; Y462-F473 PolarHBondContact O-N 2.93Å; Y462-A474 WeakPolarHBondContact CE2-O 3.43Å
463R87.6Confident79.9Confident171 Ų17190.3 Ų90.365%0.64547%0.473SS*.EExtended strand (participates in β ladder)trans-77.6148.4169.568175.6176.4-172.1-1.4111.4P461 R472 L479P461-R463 PolarHBondContact O-N 2.85Å; R463-R472 HydrophobicContact CB-CG 3.99Å; R463-L479 WeakPolarHBondContact O-CD1 3.27Å; R463-L479 VanDerWaalsContact O-CD2 3.31Å; R463-L479 WeakPolarHBondContact O-CD2 3.31Å
464C91.9Very high80.1Confident9 Ų988.7 Ų88.76%0.06147%0.47CS..  trans-71.3155.6157.7-161.30000110C469 W471 L479 H486C464-C469 WeakPolarHBondContact CB-O 3.21Å; C464-W471 PolarHBondContact N-O 2.79Å; C464-L479 HydrophobicContact CB-CD1 4.06Å; C464-H486 PolarHBondContact SG-NE2 3.34Å
465T87.3Confident80.4Confident97 Ų9788.4 Ų88.460%0.59546%0.459SS*.  trans-124.130.917870.90000110.4Y483T465-Y483 WeakPolarHBondContact CB-OH 3.32Å; T465-Y483 WeakPolarHBondContact CG2-OH 3.2Å; T465-Y483 PolarHBondContact N-OH 3.36Å; T465-Y483 PolarHBondContact OG1-OH 3.25Å
466W86.8Confident80.8Confident107 Ų10789.5 Ų89.541%0.40547%0.471SS..SBendtrans-96.4130.9173.9-165.5-84.6000107.5S468 C469 H486 T487W466-S468 PolarHBondContact O-N 2.94Å; W466-C469 HydrophobicContact CB-CB 4.14Å; W466-C469 PolarHBondContact O-N 3.3Å; W466-H486 HydrophobicContact CD2-CB 3.55Å; W466-H486 AromaticContact CD2-CD2 3.97Å; W466-H486 AromaticContact CD2-CG 3.71Å; W466-H486 HydrophobicContact CE3-CB 3.55Å; W466-H486 HydrophobicContact CG-CB 4.17Å; W466-H486 AromaticContact CG-CD2 3.73Å; W466-H486 AromaticContact CG-CG 3.77Å; W466-H486 HydrophobicContact CH2-CB 3.93Å; W466-H486 HydrophobicContact CZ2-CB 3.94Å; W466-H486 HydrophobicContact CZ3-CB 3.74Å; W466-T487 HydrophobicContact CZ3-CG2 4.13Å
467D83.2Confident81.6Confident171 Ų17189.7 Ų89.791%0.91447%0.47SS*.THydrogen-bonded Turntrans-62.4-16.4-159.6-53.1-49.4000115.1
468S84.3Confident83.2Confident100 Ų10086.7 Ų86.770%0.69944%0.438SS*.THydrogen-bonded Turntrans-112.721.9176.457.90000113.9W466W466-S468 PolarHBondContact O-N 2.94Å
469C89.5Confident84.6Confident13 Ų1384.9 Ų84.99%0.08841%0.414CS..  trans-143.990.6-171.5-153.40000116.5C464 W466 W471 H482 H486C464-C469 WeakPolarHBondContact CB-O 3.21Å; W466-C469 HydrophobicContact CB-CB 4.14Å; W466-C469 PolarHBondContact O-N 3.3Å; C469-W471 PolarHBondContact O-N 2.8Å; C469-W471 VanDerWaalsContact SG-CD1 3.57Å; C469-H482 PolarHBondContact SG-CE1 3.06Å; C469-H482 PolarHBondContact SG-NE2 3.22Å; C469-H482 VanDerWaalsContact SG-NE2 3.42Å; C469-H486 WeakPolarHBondContact CB-CE1 3.43Å; C469-H486 WeakPolarHBondContact CB-NE2 3.49Å; C469-H486 PolarHBondContact SG-CE1 2.98Å; C469-H486 PolarHBondContact SG-NE2 3.04Å
470D85.4Confident85.6Confident155 Ų15584.1 Ų84.183%0.82942%0.416SS*.  trans-73.420.8173.8-57.1-74.5000115.4R472D470-R472 PolarHBondContact O-N 3.4Å
471W86.8Confident86.1Confident160 Ų16084.6 Ų84.661%0.60642%0.415SS*.  trans-71.5118.5-176.9-86.664.8000111.8C464 C469 F473 H482C464-W471 PolarHBondContact N-O 2.79Å; C469-W471 PolarHBondContact O-N 2.8Å; C469-W471 VanDerWaalsContact SG-CD1 3.57Å; W471-F473 HydrophobicContact CB-CE2 3.79Å; W471-F473 HydrophobicContact CB-CZ 3.86Å; W471-F473 HydrophobicContact CD2-CZ 4.43Å; W471-F473 AromaticContact CE3-CE1 3.99Å; W471-F473 HydrophobicContact CE3-CE1 3.99Å; W471-F473 AromaticContact CE3-CZ 3.75Å; W471-F473 HydrophobicContact CE3-CZ 3.75Å; W471-F473 WeakPolarHBondContact O-CE2 3.15Å; W471-H482 AromaticContact CG-CE1 3.91Å
472R88Confident86.7Confident132 Ų13282 Ų8250%0.49840%0.396SS..EExtended strand (participates in β ladder)trans-109.8140178.1-56.2178.563.7160.10.9112.1K460 Y462 R463 D470K460-R472 HydrophobicContact CB-CB 3.63Å; K460-R472 HydrophobicContact CD-CB 4.07Å; K460-R472 VanDerWaalsContact CD-O 3.28Å; K460-R472 WeakPolarHBondContact CD-O 3.47Å; K460-R472 VanDerWaalsContact CE-O 3.3Å; K460-R472 WeakPolarHBondContact CE-O 3.44Å; K460-R472 HydrophobicContact CG-CB 4.47Å; K460-R472 PolarHBondContact NZ-O 3.43Å; K460-R472 PolarHBondContact O-NE 3.06Å; K460-R472 PolarHBondContact O-NH2 3.31Å; Y462-R472 CarbonylContact O-C 3.58Å; Y462-R472 WeakPolarHBondContact O-CA 3.28Å; R463-R472 HydrophobicContact CB-CG 3.99Å; D470-R472 PolarHBondContact O-N 3.4Å
473F85.1Confident87Confident26 Ų2681 Ų8111%0.11439%0.393CS..EExtended strand (participates in β ladder)trans-125155.1-172.6-58.8-85000112.8K460 Y462 W471 E478 L479 H482K460-F473 CarbonylContact C-O 3.54Å; K460-F473 VanDerWaalsContact CA-O 3.24Å; K460-F473 WeakPolarHBondContact CA-O 3.41Å; Y462-F473 PolarHBondContact N-O 3.46Å; Y462-F473 PolarHBondContact O-N 2.93Å; W471-F473 HydrophobicContact CB-CE2 3.79Å; W471-F473 HydrophobicContact CB-CZ 3.86Å; W471-F473 HydrophobicContact CD2-CZ 4.43Å; W471-F473 AromaticContact CE3-CE1 3.99Å; W471-F473 HydrophobicContact CE3-CE1 3.99Å; W471-F473 AromaticContact CE3-CZ 3.75Å; W471-F473 HydrophobicContact CE3-CZ 3.75Å; W471-F473 WeakPolarHBondContact O-CE2 3.15Å; F473-E478 HydrophobicContact CB-CB 4.04Å; F473-E478 HydrophobicContact CD1-CB 3.81Å; F473-E478 HydrophobicContact CG-CB 4.13Å; F473-L479 HydrophobicContact CB-CB 4.46Å; F473-L479 HydrophobicContact CD2-CB 4.03Å; F473-L479 HydrophobicContact CD2-CD1 3.83Å; F473-L479 HydrophobicContact CE2-CD1 4.07Å; F473-L479 HydrophobicContact CG-CB 4.44Å; F473-H482 HydrophobicContact CE1-CB 4.17Å; F473-H482 HydrophobicContact CE2-CB 3.72Å; F473-H482 AromaticContact CE2-CD2 3.64Å; F473-H482 AromaticContact CE2-CG 3.54Å; F473-H482 HydrophobicContact CZ-CB 3.46Å; F473-H482 VanDerWaalsContact CZ-CB 3.46Å; F473-H482 AromaticContact CZ-CD2 3.91Å; F473-H482 AromaticContact CZ-CG 3.35Å; F473-H482 AromaticContact CZ-ND1 3.5Å; F473-H482 WeakPolarHBondContact CZ-ND1 3.43Å
474A83.4Confident87.1Confident18 Ų1876.4 Ų76.415%0.14938%0.375CS..SBendtrans-87.9-17.3-18000000113.1R453 Y462R453-A474 HydrophobicContact CB-CB 4.24Å; R453-A474 WeakPolarHBondContact CD-O 3.19Å; R453-A474 PolarHBondContact NH1-O 2.82Å; Y462-A474 WeakPolarHBondContact CE2-O 3.43Å
475R81.8Confident86.8Confident84 Ų8483.8 Ų83.832%0.31741%0.406SS..SBendtrans-135.5150.5179.6-49.7-172.5-59109.714111.7A450 D477 E478 L479A450-R475 HydrophobicContact CB-CG 4.21Å; R475-D477 WeakPolarHBondContact CB-OD1 3.4Å; R475-D477 IonicContact CZ-OD1 3.26Å; R475-D477 IonicContact CZ-OD2 2.79Å; R475-D477 IonicContact NE-OD1 2.84Å; R475-D477 IonicContact NH1-OD1 3.47Å; R475-D477 PolarHBondContact NH1-OD1 2.99Å; R475-D477 IonicContact NH1-OD2 2.8Å; R475-D477 PolarHBondContact NH1-OD2 3.12Å; R475-D477 IonicContact NH2-OD1 2.82Å; R475-D477 PolarHBondContact NH2-OD1 3.48Å; R475-D477 IonicContact NH2-OD2 3.15Å; R475-D477 PolarHBondContact NH2-OD2 3.14Å; R475-E478 HydrophobicContact CB-CG 4.14Å; R475-E478 IonicContact CZ-OE1 3.4Å; R475-E478 PolarHBondContact N-OE2 3.48Å; R475-E478 IonicContact NE-OE1 3.69Å; R475-E478 PolarHBondContact NE-OE1 2.98Å; R475-E478 VanDerWaalsContact NH2-CG 3.31Å; R475-E478 IonicContact NH2-OE1 3.86Å; R475-E478 PolarHBondContact NH2-OE1 2.89Å; R475-E478 WeakPolarHBondContact O-CB 3.38Å; R475-E478 PolarHBondContact O-N 3.41Å; R475-L479 PolarHBondContact O-N 2.89Å
476S86.1Confident86.9Confident65 Ų6582 Ų8246%0.45539%0.391SS..Hα-helixtrans-69.8-36.8-175.847.40000113.4E478 L479 T480S476-E478 PolarHBondContact O-N 3.31Å; S476-L479 WeakPolarHBondContact O-CB 3.49Å; S476-L479 PolarHBondContact O-N 3.34Å; S476-L479 VanDerWaalsContact O-N 3.14Å; S476-T480 PolarHBondContact O-N 3.1Å; S476-T480 PolarHBondContact O-OG1 3.26Å; S476-T480 VanDerWaalsContact O-OG1 3.12Å
477D85.9Confident86.8Confident75 Ų7580.8 Ų80.840%0.40140%0.396SS..Hα-helixtrans-64.1-27.9175.664.1-53.4000112.7R475 R481R475-D477 WeakPolarHBondContact CB-OD1 3.4Å; R475-D477 IonicContact CZ-OD1 3.26Å; R475-D477 IonicContact CZ-OD2 2.79Å; R475-D477 IonicContact NE-OD1 2.84Å; R475-D477 IonicContact NH1-OD1 3.47Å; R475-D477 PolarHBondContact NH1-OD1 2.99Å; R475-D477 IonicContact NH1-OD2 2.8Å; R475-D477 PolarHBondContact NH1-OD2 3.12Å; R475-D477 IonicContact NH2-OD1 2.82Å; R475-D477 PolarHBondContact NH2-OD1 3.48Å; R475-D477 IonicContact NH2-OD2 3.15Å; R475-D477 PolarHBondContact NH2-OD2 3.14Å; D477-R481 WeakPolarHBondContact O-CB 3.26Å; D477-R481 PolarHBondContact O-N 2.86Å
478E87.6Confident87Confident41 Ų4174.5 Ų74.519%0.19237%0.371CS..Hα-helixtrans-70.8-41.4173.7-62.5170.7173.100111.2F473 R475 S476 R481 H482F473-E478 HydrophobicContact CB-CB 4.04Å; F473-E478 HydrophobicContact CD1-CB 3.81Å; F473-E478 HydrophobicContact CG-CB 4.13Å; R475-E478 HydrophobicContact CB-CG 4.14Å; R475-E478 IonicContact CZ-OE1 3.4Å; R475-E478 PolarHBondContact N-OE2 3.48Å; R475-E478 IonicContact NE-OE1 3.69Å; R475-E478 PolarHBondContact NE-OE1 2.98Å; R475-E478 VanDerWaalsContact NH2-CG 3.31Å; R475-E478 IonicContact NH2-OE1 3.86Å; R475-E478 PolarHBondContact NH2-OE1 2.89Å; R475-E478 WeakPolarHBondContact O-CB 3.38Å; R475-E478 PolarHBondContact O-N 3.41Å; S476-E478 PolarHBondContact O-N 3.31Å; E478-R481 PolarHBondContact O-N 3.35Å; E478-H482 WeakPolarHBondContact O-CB 3.39Å; E478-H482 PolarHBondContact O-N 2.99Å
479L90.8Very high87.2Confident22 Ų2271.7 Ų71.712%0.11535%0.354CS..Hα-helixtrans-64.4-48.9173.4176.662.5000111.1R463 C464 F473 R475 S476 R481 H482 Y483R463-L479 WeakPolarHBondContact O-CD1 3.27Å; R463-L479 VanDerWaalsContact O-CD2 3.31Å; R463-L479 WeakPolarHBondContact O-CD2 3.31Å; C464-L479 HydrophobicContact CB-CD1 4.06Å; F473-L479 HydrophobicContact CB-CB 4.46Å; F473-L479 HydrophobicContact CD2-CB 4.03Å; F473-L479 HydrophobicContact CD2-CD1 3.83Å; F473-L479 HydrophobicContact CE2-CD1 4.07Å; F473-L479 HydrophobicContact CG-CB 4.44Å; R475-L479 PolarHBondContact O-N 2.89Å; S476-L479 WeakPolarHBondContact O-CB 3.49Å; S476-L479 PolarHBondContact O-N 3.34Å; S476-L479 VanDerWaalsContact O-N 3.14Å; L479-R481 VanDerWaalsContact C-N 3.3Å; L479-R481 PolarHBondContact O-N 3.15Å; L479-H482 CarbonylContact O-C 3.51Å; L479-H482 WeakPolarHBondContact O-CA 3.44Å; L479-H482 WeakPolarHBondContact O-CB 3.47Å; L479-H482 PolarHBondContact O-N 2.96Å; L479-Y483 HydrophobicContact CD1-CD2 3.8Å; L479-Y483 HydrophobicContact CD1-CE2 3.47Å; L479-Y483 VanDerWaalsContact CD1-CE2 3.47Å; L479-Y483 HydrophobicContact CD2-CE2 3.99Å; L479-Y483 HydrophobicContact CG-CD2 3.84Å; L479-Y483 HydrophobicContact CG-CE2 3.59Å; L479-Y483 WeakPolarHBondContact O-CD2 3.48Å; L479-Y483 PolarHBondContact O-N 3.33Å
480T88.8Confident87.1Confident76 Ų7677.3 Ų77.347%0.46638%0.377SS..Hα-helixtrans-59.1-40.9176.3-51.60000111.9S476 H482 Y483 R484S476-T480 PolarHBondContact O-N 3.1Å; S476-T480 PolarHBondContact O-OG1 3.26Å; S476-T480 VanDerWaalsContact O-OG1 3.12Å; T480-H482 VanDerWaalsContact C-N 3.29Å; T480-H482 PolarHBondContact O-N 3.35Å; T480-Y483 PolarHBondContact O-N 3.11Å; T480-R484 PolarHBondContact O-N 3.45Å
481R87.5Confident87.2Confident107 Ų10773.7 Ų73.740%0.40436%0.362SS..Hα-helixtrans-66.4-30.1174.3-178.8-179.164-179.2-2.3112.6D477 E478 L479 R503D477-R481 WeakPolarHBondContact O-CB 3.26Å; D477-R481 PolarHBondContact O-N 2.86Å; E478-R481 PolarHBondContact O-N 3.35Å; L479-R481 VanDerWaalsContact C-N 3.3Å; L479-R481 PolarHBondContact O-N 3.15Å; R481-R503 HydrophobicContact CG-CG 4.17Å
482H90.7Very high87.3Confident14 Ų1469.1 Ų69.17%0.06535%0.346CS..Hα-helixtrans-74-43.9174.816985.1000112.1C469 W471 F473 E478 L479 T480 R484 K485 H486C469-H482 PolarHBondContact SG-CE1 3.06Å; C469-H482 PolarHBondContact SG-NE2 3.22Å; C469-H482 VanDerWaalsContact SG-NE2 3.42Å; W471-H482 AromaticContact CG-CE1 3.91Å; F473-H482 HydrophobicContact CE1-CB 4.17Å; F473-H482 HydrophobicContact CE2-CB 3.72Å; F473-H482 AromaticContact CE2-CD2 3.64Å; F473-H482 AromaticContact CE2-CG 3.54Å; F473-H482 HydrophobicContact CZ-CB 3.46Å; F473-H482 VanDerWaalsContact CZ-CB 3.46Å; F473-H482 AromaticContact CZ-CD2 3.91Å; F473-H482 AromaticContact CZ-CG 3.35Å; F473-H482 AromaticContact CZ-ND1 3.5Å; F473-H482 WeakPolarHBondContact CZ-ND1 3.43Å; E478-H482 WeakPolarHBondContact O-CB 3.39Å; E478-H482 PolarHBondContact O-N 2.99Å; L479-H482 CarbonylContact O-C 3.51Å; L479-H482 WeakPolarHBondContact O-CA 3.44Å; L479-H482 WeakPolarHBondContact O-CB 3.47Å; L479-H482 PolarHBondContact O-N 2.96Å; T480-H482 VanDerWaalsContact C-N 3.29Å; T480-H482 PolarHBondContact O-N 3.35Å; H482-R484 PolarHBondContact O-N 3.25Å; H482-R484 VanDerWaalsContact O-N 3.15Å; H482-K485 VanDerWaalsContact O-CB 3.23Å; H482-K485 WeakPolarHBondContact O-CB 3.36Å; H482-K485 WeakPolarHBondContact O-CG 3.38Å; H482-K485 PolarHBondContact O-N 3.07Å; H482-H486 AromaticContact CD2-NE2 3.28Å; H482-H486 PolarHBondContact CD2-NE2 3.34Å; H482-H486 VanDerWaalsContact CD2-NE2 3.28Å; H482-H486 AromaticContact CE1-NE2 3.17Å; H482-H486 PolarHBondContact CE1-NE2 3.13Å; H482-H486 AromaticContact NE2-CD2 3.89Å; H482-H486 AromaticContact NE2-NE2 2.38Å; H482-H486 PolarHBondContact NE2-NE2 2.98Å
483Y88.9Confident87.5Confident59 Ų5968.4 Ų68.423%0.23135%0.349CS..Hα-helixtrans-55.1-33.6175.5-87.3-77.8000113.3T465 L479 T480 K485 H486 T487T465-Y483 WeakPolarHBondContact CB-OH 3.32Å; T465-Y483 WeakPolarHBondContact CG2-OH 3.2Å; T465-Y483 PolarHBondContact N-OH 3.36Å; T465-Y483 PolarHBondContact OG1-OH 3.25Å; L479-Y483 HydrophobicContact CD1-CD2 3.8Å; L479-Y483 HydrophobicContact CD1-CE2 3.47Å; L479-Y483 VanDerWaalsContact CD1-CE2 3.47Å; L479-Y483 HydrophobicContact CD2-CE2 3.99Å; L479-Y483 HydrophobicContact CG-CD2 3.84Å; L479-Y483 HydrophobicContact CG-CE2 3.59Å; L479-Y483 WeakPolarHBondContact O-CD2 3.48Å; L479-Y483 PolarHBondContact O-N 3.33Å; T480-Y483 PolarHBondContact O-N 3.11Å; Y483-K485 PolarHBondContact O-N 3.42Å; Y483-K485 VanDerWaalsContact O-N 3.1Å; Y483-H486 PolarHBondContact O-N 2.95Å; Y483-T487 PolarHBondContact O-N 3.32Å; Y483-T487 PolarHBondContact O-OG1 2.88Å
484R89.7Confident87.9Confident74 Ų7467.2 Ų67.228%0.27934%0.344SS..Hα-helixtrans-63.3-10.8174.1-65.5-175.7-174.6159.43.7114.5T480 H482 G488 A489 S502T480-R484 PolarHBondContact O-N 3.45Å; H482-R484 PolarHBondContact O-N 3.25Å; H482-R484 VanDerWaalsContact O-N 3.15Å; R484-G488 CarbonylContact O-C 3.23Å; R484-G488 WeakPolarHBondContact O-CA 3.45Å; R484-G488 PolarHBondContact O-N 3.25Å; R484-A489 HydrophobicContact CG-CB 4.3Å; R484-A489 PolarHBondContact O-N 3.3Å; R484-S502 WeakPolarHBondContact CD-O 3.05Å; R484-S502 PolarHBondContact NH1-O 3.37Å
485K86.3Confident88.2Confident163 Ų16372.7 Ų72.771%0.70938%0.375SS*.Hα-helixtrans-76.4-43167.3-63.8-172.2171.7-165.80111.4H482 Y483H482-K485 VanDerWaalsContact O-CB 3.23Å; H482-K485 WeakPolarHBondContact O-CB 3.36Å; H482-K485 WeakPolarHBondContact O-CG 3.38Å; H482-K485 PolarHBondContact O-N 3.07Å; Y483-K485 PolarHBondContact O-N 3.42Å; Y483-K485 VanDerWaalsContact O-N 3.1Å
486H87.5Confident88.6Confident60 Ų6073 Ų7328%0.27839%0.386SS..Hα-helixtrans-72.8-47.8-179.1-59.9-44.5000111.8C464 W466 C469 H482 Y483 G488C464-H486 PolarHBondContact SG-NE2 3.34Å; W466-H486 HydrophobicContact CD2-CB 3.55Å; W466-H486 AromaticContact CD2-CD2 3.97Å; W466-H486 AromaticContact CD2-CG 3.71Å; W466-H486 HydrophobicContact CE3-CB 3.55Å; W466-H486 HydrophobicContact CG-CB 4.17Å; W466-H486 AromaticContact CG-CD2 3.73Å; W466-H486 AromaticContact CG-CG 3.77Å; W466-H486 HydrophobicContact CH2-CB 3.93Å; W466-H486 HydrophobicContact CZ2-CB 3.94Å; W466-H486 HydrophobicContact CZ3-CB 3.74Å; C469-H486 WeakPolarHBondContact CB-CE1 3.43Å; C469-H486 WeakPolarHBondContact CB-NE2 3.49Å; C469-H486 PolarHBondContact SG-CE1 2.98Å; C469-H486 PolarHBondContact SG-NE2 3.04Å; H482-H486 AromaticContact CD2-NE2 3.28Å; H482-H486 PolarHBondContact CD2-NE2 3.34Å; H482-H486 VanDerWaalsContact CD2-NE2 3.28Å; H482-H486 AromaticContact CE1-NE2 3.17Å; H482-H486 PolarHBondContact CE1-NE2 3.13Å; H482-H486 AromaticContact NE2-CD2 3.89Å; H482-H486 AromaticContact NE2-NE2 2.38Å; H482-H486 PolarHBondContact NE2-NE2 2.98Å; Y483-H486 PolarHBondContact O-N 2.95Å; H486-G488 PolarHBondContact O-N 2.79Å
487T86.5Confident88.8Confident82 Ų8272 Ų7250%0.50338%0.379SS..SBendtrans-80.9-1.1179.262.40000114W466 Y483 A489W466-T487 HydrophobicContact CZ3-CG2 4.13Å; Y483-T487 PolarHBondContact O-N 3.32Å; Y483-T487 PolarHBondContact O-OG1 2.88Å; T487-A489 PolarHBondContact O-N 3.13Å; T487-A489 WeakPolarHBondContact OG1-CB 3.23Å
488G87.3Confident89Confident39 Ų3972.5 Ų72.540%0.40239%0.388SS..  trans60.44-17400000115.7R484 H486 K490R484-G488 CarbonylContact O-C 3.23Å; R484-G488 WeakPolarHBondContact O-CA 3.45Å; R484-G488 PolarHBondContact O-N 3.25Å; H486-G488 PolarHBondContact O-N 2.79Å; G488-K490 WeakPolarHBondContact O-CG 3.45Å; G488-K490 PolarHBondContact O-N 3.11Å
489A87.3Confident89.1Confident40 Ų4078.3 Ų78.333%0.33141%0.408SS..  trans-65.2123.3-162.800000113.7R484 T487 P491 S502R484-A489 HydrophobicContact CG-CB 4.3Å; R484-A489 PolarHBondContact O-N 3.3Å; T487-A489 PolarHBondContact O-N 3.13Å; T487-A489 WeakPolarHBondContact OG1-CB 3.23Å; A489-P491 VanDerWaalsContact O-CD 3.32Å; A489-P491 WeakPolarHBondContact O-CD 3.37Å; A489-S502 WeakPolarHBondContact O-CB 3.45Å
490K87.9Confident89.1Confident131 Ų13179.4 Ų79.457%0.5742%0.418SS*.  trans-121.272.1-174.5-71.5153.4-179.6172.30111.9G488 F492 S500 F501G488-K490 WeakPolarHBondContact O-CG 3.45Å; G488-K490 PolarHBondContact O-N 3.11Å; K490-F492 PolarHBondContact O-N 3.49Å; K490-S500 WeakPolarHBondContact CD-O 3.45Å; K490-S500 WeakPolarHBondContact O-CB 3.39Å; K490-F501 CarbonylContact C-O 3.57Å; K490-F501 VanDerWaalsContact C-O 3.23Å; K490-F501 VanDerWaalsContact CA-O 3.27Å; K490-F501 WeakPolarHBondContact CA-O 3.24Å
491P86.6Confident89.2Confident79 Ų7978 Ų7851%0.51341%0.405SS..  trans-74.1-2.6-17430.9-36.8000115A489A489-P491 VanDerWaalsContact O-CD 3.32Å; A489-P491 WeakPolarHBondContact O-CD 3.37Å
492F89.3Confident89.2Confident64 Ų6474.8 Ų74.828%0.28140%0.4SS..EExtended strand (participates in β ladder)trans-110.490.2-178.8-58.1-74.2000110.7K490 F501 S504 L507K490-F492 PolarHBondContact O-N 3.49Å; F492-F501 HydrophobicContact CB-CB 4.36Å; F492-F501 WeakPolarHBondContact CB-O 3.32Å; F492-F501 PolarHBondContact N-O 2.82Å; F492-F501 VanDerWaalsContact N-O 3.07Å; F492-F501 PolarHBondContact O-N 3.17Å; F492-S504 VanDerWaalsContact CD2-N 3.33Å; F492-L507 HydrophobicContact CB-CB 4.21Å; F492-L507 HydrophobicContact CB-CD2 3.93Å
493Q91.7Very high89.1Confident117 Ų11777.5 Ų77.555%0.54741%0.409SS..EExtended strand (participates in β ladder)trans-82.7142.3177.4-165.4165.62700112.3S498 S500Q493-S498 WeakPolarHBondContact CG-O 3.47Å; Q493-S498 PolarHBondContact NE2-O 2.96Å; Q493-S500 WeakPolarHBondContact CG-OG 3.49Å
494C93.9Very high89.2Confident2 Ų278 Ų781%0.01442%0.421CS..  trans-80.1125.5168.61790000110.3V496 S498 R499 F501 L507 H510 M511 H514C494-V496 VanDerWaalsContact C-N 3.28Å; C494-V496 PolarHBondContact O-N 2.82Å; C494-V496 PolarHBondContact SG-N 3.43Å; C494-V496 VanDerWaalsContact SG-N 3.43Å; C494-S498 VanDerWaalsContact O-CA 3.23Å; C494-S498 WeakPolarHBondContact O-CA 3.5Å; C494-S498 PolarHBondContact O-N 2.85Å; C494-S498 VanDerWaalsContact O-N 3.07Å; C494-R499 HydrophobicContact CB-CB 4.48Å; C494-R499 WeakPolarHBondContact CB-O 3.44Å; C494-R499 PolarHBondContact N-O 2.7Å; C494-F501 HydrophobicContact CB-CE2 4.37Å; C494-L507 HydrophobicContact CB-CD1 3.8Å; C494-H510 PolarHBondContact SG-NE2 3.27Å; C494-M511 HydrophobicContact CB-SD 4.49Å; C494-H514 PolarHBondContact SG-NE2 3.25Å
495T90.3Very high89.3Confident132 Ų13277.6 Ų77.681%0.8143%0.425SS*.THydrogen-bonded Turntrans-69.7-20.8177.649.70000114
496V89.9Confident89.6Confident91 Ų9173.1 Ų73.155%0.55241%0.406SS*.THydrogen-bonded Turntrans-91.8-39.7-173.9179.10000112.8C494 M511 H514C494-V496 VanDerWaalsContact C-N 3.28Å; C494-V496 PolarHBondContact O-N 2.82Å; C494-V496 PolarHBondContact SG-N 3.43Å; C494-V496 VanDerWaalsContact SG-N 3.43Å; V496-M511 HydrophobicContact CG2-CE 3.96Å; V496-H514 HydrophobicContact CB-CB 4.49Å; V496-H514 HydrophobicContact CG1-CB 4.15Å; V496-H514 HydrophobicContact CG2-CB 4.45Å
497C91.5Very high89.9Confident43 Ų4371.8 Ų71.829%0.29140%0.401SS..THydrogen-bonded Turntrans-134.629-177.681.30000113.6R499 H510 H514C497-R499 PolarHBondContact O-N 3.28Å; C497-H510 VanDerWaalsContact SG-CE1 3.59Å; C497-H510 PolarHBondContact SG-NE2 2.38Å; C497-H514 PolarHBondContact SG-CE1 2.73Å; C497-H514 PolarHBondContact SG-NE2 3.3Å; C497-H514 VanDerWaalsContact SG-NE2 3.44Å
498S89.1Confident90.1Very high86 Ų8670.7 Ų70.760%0.60140%0.4SS*.  trans51.22.5174620000118.2Q493 C494 S500Q493-S498 WeakPolarHBondContact CG-O 3.47Å; Q493-S498 PolarHBondContact NE2-O 2.96Å; C494-S498 VanDerWaalsContact O-CA 3.23Å; C494-S498 WeakPolarHBondContact O-CA 3.5Å; C494-S498 PolarHBondContact O-N 2.85Å; C494-S498 VanDerWaalsContact O-N 3.07Å; S498-S500 PolarHBondContact O-N 3Å
499R89.6Confident90.4Very high163 Ų16374 Ų7462%0.61541%0.408SS*.  trans-66.1127.3179-86.3-175.8143113.8-1111.9C494 C497 F501C494-R499 HydrophobicContact CB-CB 4.48Å; C494-R499 WeakPolarHBondContact CB-O 3.44Å; C494-R499 PolarHBondContact N-O 2.7Å; C497-R499 PolarHBondContact O-N 3.28Å; R499-F501 HydrophobicContact CB-CE2 3.84Å; R499-F501 HydrophobicContact CB-CZ 4.08Å; R499-F501 WeakPolarHBondContact O-CD2 3.41Å; R499-F501 VanDerWaalsContact O-CE2 3.24Å; R499-F501 WeakPolarHBondContact O-CE2 3.49Å
500S91.6Very high90.7Very high46 Ų4672.7 Ų72.732%0.32240%0.395SS..EExtended strand (participates in β ladder)trans-102.8137-179.7-51.50000113.4K490 Q493 S498K490-S500 WeakPolarHBondContact CD-O 3.45Å; K490-S500 WeakPolarHBondContact O-CB 3.39Å; Q493-S500 WeakPolarHBondContact CG-OG 3.49Å; S498-S500 PolarHBondContact O-N 3Å
501F89.8Confident90.8Very high45 Ų4568.7 Ų68.720%0.19738%0.379CS..EExtended strand (participates in β ladder)trans-119.8147.4-175.6-60-92.3000111.6K490 F492 C494 R499 R503 H506 L507 H510K490-F501 CarbonylContact C-O 3.57Å; K490-F501 VanDerWaalsContact C-O 3.23Å; K490-F501 VanDerWaalsContact CA-O 3.27Å; K490-F501 WeakPolarHBondContact CA-O 3.24Å; F492-F501 HydrophobicContact CB-CB 4.36Å; F492-F501 WeakPolarHBondContact CB-O 3.32Å; F492-F501 PolarHBondContact N-O 2.82Å; F492-F501 VanDerWaalsContact N-O 3.07Å; F492-F501 PolarHBondContact O-N 3.17Å; C494-F501 HydrophobicContact CB-CE2 4.37Å; R499-F501 HydrophobicContact CB-CE2 3.84Å; R499-F501 HydrophobicContact CB-CZ 4.08Å; R499-F501 WeakPolarHBondContact O-CD2 3.41Å; R499-F501 VanDerWaalsContact O-CE2 3.24Å; R499-F501 WeakPolarHBondContact O-CE2 3.49Å; F501-R503 VanDerWaalsContact C-N 3.28Å; F501-R503 PolarHBondContact O-N 3.16Å; F501-H506 HydrophobicContact CB-CB 4.4Å; F501-H506 HydrophobicContact CD1-CB 3.93Å; F501-H506 HydrophobicContact CG-CB 4.44Å; F501-L507 HydrophobicContact CB-CB 4.48Å; F501-L507 HydrophobicContact CD2-CB 4.11Å; F501-L507 HydrophobicContact CD2-CD1 4.02Å; F501-L507 HydrophobicContact CE2-CD1 4.17Å; F501-L507 HydrophobicContact CG-CB 4.42Å; F501-H510 HydrophobicContact CE1-CB 4.13Å; F501-H510 HydrophobicContact CE2-CB 4.08Å; F501-H510 AromaticContact CE2-CD2 3.24Å; F501-H510 WeakPolarHBondContact CE2-CD2 3.3Å; F501-H510 AromaticContact CE2-CG 3.79Å; F501-H510 AromaticContact CE2-NE2 3.98Å; F501-H510 HydrophobicContact CZ-CB 3.61Å; F501-H510 AromaticContact CZ-CD2 3.31Å; F501-H510 WeakPolarHBondContact CZ-CD2 3.3Å; F501-H510 AromaticContact CZ-CG 3.38Å; F501-H510 AromaticContact CZ-NE2 3.96Å
502S88.7Confident91.1Very high41 Ų4170.8 Ų70.829%0.28738%0.38SS..SBendtrans-78.1-10.6176.6570000114.1R484 A489R484-S502 WeakPolarHBondContact CD-O 3.05Å; R484-S502 PolarHBondContact NH1-O 3.37Å; A489-S502 WeakPolarHBondContact O-CB 3.45Å
503R88.8Confident91.1Very high71 Ų7176.1 Ų76.127%0.26840%0.398SS..SBendtrans-142.4143.3-177.7-61.9160.353.5168.71112R481 F501 D505 H506 L507R481-R503 HydrophobicContact CG-CG 4.17Å; F501-R503 VanDerWaalsContact C-N 3.28Å; F501-R503 PolarHBondContact O-N 3.16Å; R503-D505 WeakPolarHBondContact CB-OD1 3.31Å; R503-D505 IonicContact CZ-OD1 2.82Å; R503-D505 IonicContact CZ-OD2 2.81Å; R503-D505 IonicContact NE-OD1 3.37Å; R503-D505 PolarHBondContact NE-OD1 2.88Å; R503-D505 IonicContact NE-OD2 2.79Å; R503-D505 VanDerWaalsContact NH2-CG 3.35Å; R503-D505 IonicContact NH2-OD1 3.87Å; R503-D505 PolarHBondContact NH2-OD1 3.4Å; R503-D505 IonicContact NH2-OD2 3.16Å; R503-D505 PolarHBondContact NH2-OD2 2.89Å; R503-H506 WeakPolarHBondContact CD-NE2 3.22Å; R503-H506 VanDerWaalsContact CZ-NE2 3.3Å; R503-H506 PolarHBondContact NE-NE2 2.9Å; R503-H506 PolarHBondContact NH1-NE2 3.48Å; R503-H506 PolarHBondContact O-N 3.09Å; R503-L507 PolarHBondContact O-N 3.35Å
504S91.3Very high91Very high69 Ų6973.7 Ų73.748%0.48339%0.387SS..Hα-helixtrans-69.1-30.4179.548.50000113.7F492 H506 L507 A508F492-S504 VanDerWaalsContact CD2-N 3.33Å; S504-H506 VanDerWaalsContact C-N 3.33Å; S504-L507 PolarHBondContact O-N 2.99Å; S504-A508 WeakPolarHBondContact O-CB 3.49Å; S504-A508 PolarHBondContact O-N 2.88Å
505D91.4Very high90.4Very high65 Ų6580.5 Ų80.535%0.34842%0.418SS..Hα-helixtrans-69.4-31.6176.568.8-60.3000112.3R503 A508 L509R503-D505 WeakPolarHBondContact CB-OD1 3.31Å; R503-D505 IonicContact CZ-OD1 2.82Å; R503-D505 IonicContact CZ-OD2 2.81Å; R503-D505 IonicContact NE-OD1 3.37Å; R503-D505 PolarHBondContact NE-OD1 2.88Å; R503-D505 IonicContact NE-OD2 2.79Å; R503-D505 VanDerWaalsContact NH2-CG 3.35Å; R503-D505 IonicContact NH2-OD1 3.87Å; R503-D505 PolarHBondContact NH2-OD1 3.4Å; R503-D505 IonicContact NH2-OD2 3.16Å; R503-D505 PolarHBondContact NH2-OD2 2.89Å; D505-A508 PolarHBondContact O-N 3.23Å; D505-L509 WeakPolarHBondContact O-CG 3.42Å; D505-L509 PolarHBondContact O-N 2.89Å
506H92.3Very high88.8Confident70 Ų7083.7 Ų83.732%0.32443%0.431SS..Hα-helixtrans-71.3-39172.1-64.4-17.7000112F501 R503 S504 H510F501-H506 HydrophobicContact CB-CB 4.4Å; F501-H506 HydrophobicContact CD1-CB 3.93Å; F501-H506 HydrophobicContact CG-CB 4.44Å; R503-H506 WeakPolarHBondContact CD-NE2 3.22Å; R503-H506 VanDerWaalsContact CZ-NE2 3.3Å; R503-H506 PolarHBondContact NE-NE2 2.9Å; R503-H506 PolarHBondContact NH1-NE2 3.48Å; R503-H506 PolarHBondContact O-N 3.09Å; S504-H506 VanDerWaalsContact C-N 3.33Å; H506-H510 VanDerWaalsContact O-CB 3.28Å; H506-H510 WeakPolarHBondContact O-CB 3.19Å; H506-H510 PolarHBondContact O-N 3.42Å
507L93Very high88.7Confident31 Ų3183.4 Ų83.416%0.16243%0.425CS..Hα-helixtrans-61.3-47.3169.7175.359.7000111F492 C494 F501 R503 S504 L509 H510 M511F492-L507 HydrophobicContact CB-CB 4.21Å; F492-L507 HydrophobicContact CB-CD2 3.93Å; C494-L507 HydrophobicContact CB-CD1 3.8Å; F501-L507 HydrophobicContact CB-CB 4.48Å; F501-L507 HydrophobicContact CD2-CB 4.11Å; F501-L507 HydrophobicContact CD2-CD1 4.02Å; F501-L507 HydrophobicContact CE2-CD1 4.17Å; F501-L507 HydrophobicContact CG-CB 4.42Å; R503-L507 PolarHBondContact O-N 3.35Å; S504-L507 PolarHBondContact O-N 2.99Å; L507-L509 VanDerWaalsContact C-N 3.33Å; L507-L509 PolarHBondContact O-N 2.91Å; L507-H510 CarbonylContact O-C 3.58Å; L507-H510 WeakPolarHBondContact O-CA 3.43Å; L507-H510 WeakPolarHBondContact O-CB 3.44Å; L507-H510 PolarHBondContact O-N 3.01Å; L507-M511 HydrophobicContact CD1-CG 4Å; L507-M511 HydrophobicContact CD1-SD 3.97Å; L507-M511 HydrophobicContact CG-CG 4.31Å; L507-M511 WeakPolarHBondContact O-CG 3.28Å; L507-M511 PolarHBondContact O-N 3.02Å
508A92.1Very high88.6Confident59 Ų5985.5 Ų85.549%0.48843%0.432SS..Hα-helixtrans-62.3-36.3-179.600000113.3S504 D505S504-A508 WeakPolarHBondContact O-CB 3.49Å; S504-A508 PolarHBondContact O-N 2.88Å; D505-A508 PolarHBondContact O-N 3.23Å
509L92.6Very high88.5Confident110 Ų11085.4 Ų85.458%0.57642%0.422SS*.Hα-helixtrans-70.8-36171.1-72.3173000112.4D505 L507 K512D505-L509 WeakPolarHBondContact O-CG 3.42Å; D505-L509 PolarHBondContact O-N 2.89Å; L507-L509 VanDerWaalsContact C-N 3.33Å; L507-L509 PolarHBondContact O-N 2.91Å; L509-K512 PolarHBondContact O-N 3.24Å
510H92.9Very high88.5Confident11 Ų1180.9 Ų80.95%0.05141%0.411CS..Hα-helixtrans-67.5-40.1176.1170.851.4000112.8C494 C497 F501 H506 L507 K512 R513 H514C494-H510 PolarHBondContact SG-NE2 3.27Å; C497-H510 VanDerWaalsContact SG-CE1 3.59Å; C497-H510 PolarHBondContact SG-NE2 2.38Å; F501-H510 HydrophobicContact CE1-CB 4.13Å; F501-H510 HydrophobicContact CE2-CB 4.08Å; F501-H510 AromaticContact CE2-CD2 3.24Å; F501-H510 WeakPolarHBondContact CE2-CD2 3.3Å; F501-H510 AromaticContact CE2-CG 3.79Å; F501-H510 AromaticContact CE2-NE2 3.98Å; F501-H510 HydrophobicContact CZ-CB 3.61Å; F501-H510 AromaticContact CZ-CD2 3.31Å; F501-H510 WeakPolarHBondContact CZ-CD2 3.3Å; F501-H510 AromaticContact CZ-CG 3.38Å; F501-H510 AromaticContact CZ-NE2 3.96Å; H506-H510 VanDerWaalsContact O-CB 3.28Å; H506-H510 WeakPolarHBondContact O-CB 3.19Å; H506-H510 PolarHBondContact O-N 3.42Å; L507-H510 CarbonylContact O-C 3.58Å; L507-H510 WeakPolarHBondContact O-CA 3.43Å; L507-H510 WeakPolarHBondContact O-CB 3.44Å; L507-H510 PolarHBondContact O-N 3.01Å; H510-K512 PolarHBondContact O-N 2.95Å; H510-K512 VanDerWaalsContact O-N 3.14Å; H510-R513 VanDerWaalsContact O-CB 3.27Å; H510-R513 WeakPolarHBondContact O-CB 3.45Å; H510-R513 PolarHBondContact O-N 2.92Å; H510-H514 AromaticContact CD2-NE2 3.96Å; H510-H514 AromaticContact CE1-CE1 3.69Å; H510-H514 AromaticContact CE1-NE2 3.2Å; H510-H514 PolarHBondContact CE1-NE2 3.26Å; H510-H514 AromaticContact NE2-CE1 3.96Å; H510-H514 AromaticContact NE2-NE2 3.11Å; H510-H514 PolarHBondContact NE2-NE2 3.07Å; H510-H514 VanDerWaalsContact NE2-NE2 3.11Å
511M91.1Very high88.3Confident48 Ų4883.1 Ų83.124%0.23642%0.417CS..Hα-helixtrans-58.2-27.9178.1-69.7-54.4-63.800112.8C494 V496 L507 R513 H514 Q515C494-M511 HydrophobicContact CB-SD 4.49Å; V496-M511 HydrophobicContact CG2-CE 3.96Å; L507-M511 HydrophobicContact CD1-CG 4Å; L507-M511 HydrophobicContact CD1-SD 3.97Å; L507-M511 HydrophobicContact CG-CG 4.31Å; L507-M511 WeakPolarHBondContact O-CG 3.28Å; L507-M511 PolarHBondContact O-N 3.02Å; M511-R513 PolarHBondContact O-N 3.29Å; M511-H514 PolarHBondContact O-N 3.3Å; M511-Q515 WeakPolarHBondContact O-CG 3.44Å
512K92.8Very high88.2Confident122 Ų12285.6 Ų85.653%0.5343%0.431SS..G310 helixtrans-64-22.3173.3-62.4-174.2177.5-171.40113.7L509 H510 H514 Q515L509-K512 PolarHBondContact O-N 3.24Å; H510-K512 PolarHBondContact O-N 2.95Å; H510-K512 VanDerWaalsContact O-N 3.14Å; K512-H514 PolarHBondContact O-N 2.96Å; K512-Q515 PolarHBondContact O-N 2.87Å
513R89.5Confident88.2Confident177 Ų17788.8 Ų88.867%0.66844%0.442SS*.G310 helixtrans-74.3-17.1173.4-168.3176-63.9142.43.3112.7H510 M511H510-R513 VanDerWaalsContact O-CB 3.27Å; H510-R513 WeakPolarHBondContact O-CB 3.45Å; H510-R513 PolarHBondContact O-N 2.92Å; M511-R513 PolarHBondContact O-N 3.29Å
514H88.8Confident88.1Confident65 Ų6590.2 Ų90.230%0.30146%0.455SS..G310 helixtrans-99.312173.4-52-53.5000112.1C494 V496 C497 H510 M511 K512C494-H514 PolarHBondContact SG-NE2 3.25Å; V496-H514 HydrophobicContact CB-CB 4.49Å; V496-H514 HydrophobicContact CG1-CB 4.15Å; V496-H514 HydrophobicContact CG2-CB 4.45Å; C497-H514 PolarHBondContact SG-CE1 2.73Å; C497-H514 PolarHBondContact SG-NE2 3.3Å; C497-H514 VanDerWaalsContact SG-NE2 3.44Å; H510-H514 AromaticContact CD2-NE2 3.96Å; H510-H514 AromaticContact CE1-CE1 3.69Å; H510-H514 AromaticContact CE1-NE2 3.2Å; H510-H514 PolarHBondContact CE1-NE2 3.26Å; H510-H514 AromaticContact NE2-CE1 3.96Å; H510-H514 AromaticContact NE2-NE2 3.11Å; H510-H514 PolarHBondContact NE2-NE2 3.07Å; H510-H514 VanDerWaalsContact NE2-NE2 3.11Å; M511-H514 PolarHBondContact O-N 3.3Å; K512-H514 PolarHBondContact O-N 2.96Å
515Q81.1Confident87.8Confident145 Ų14591.9 Ų91.968%0.67845%0.453SS*.  trans-115.45.5177.6-67.4171.5-9.800111.7M511 K512M511-Q515 WeakPolarHBondContact O-CG 3.44Å; K512-Q515 PolarHBondContact O-N 2.87Å
516N56.7Low87.5Confident200 Ų20094.4 Ų94.4100%1.0746%0.462SS*.  trans-131.70-177.1-9379.2000107.9

Retrieved 516 of 516 residues in 194.1 ms (Link to these results)