RANB3_HUMAN Loading...

Isoform 2 of Ran-binding protein 3 AlphaSync

Canonical isoform description: Acts as a cofactor for XPO1/CRM1-mediated nuclear export, perhaps as export complex scaffolding protein. Bound to XPO1/CRM1, stabilizes the XPO1/CRM1-cargo interaction. In the absence of Ran-bound GTP prevents binding of XPO1/CRM1 to the nuclear pore complex. Binds to CHC1/RCC1 and increases the guanine nucleotide exchange activity of CHC1/RCC1. Recruits XPO1/CRM1 to CHC1/RCC1 in a Ran-dependent manner. Negative regulator of TGF-beta signaling through interaction with the R-SMAD proteins, SMAD2 and SMAD3, and mediating their nuclear export.

AlphaFold DB , UniProt , Accession Q9H6Z4-2 (canonical: Q9H6Z4), Species HUMAN (Homo sapiens, Human), Gene RANBP3, Length 562 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.8Very low51.2Low243 Ų243154.8 Ų154.8100%1.19787%0.867SS**  0120.40-171.6165.5-174.400105.4
2A43.6Very low51.8Low91 Ų91155.6 Ų155.675%0.75287%0.865SS**  trans14113.3-177.500000117.4
3D40.5Very low51.8Low155 Ų155149.8 Ų149.883%0.82985%0.849SS**  cis63.7153.639.5-149-6.9000113.8
4L53.8Low52.2Low159 Ų159147 Ų14783%0.83284%0.84SS**  trans79.6106.4-170.1-53.8172.3000117
5A60.8Low52.9Low106 Ų106144.5 Ų144.588%0.87683%0.832SS**  179.887.9128.100000110.9
6N47.9Very low53.5Low167 Ų167143.6 Ų143.689%0.89383%0.829SS**  trans-114.2100171.2-170.235.7000108.4
7E58.8Low54.4Low188 Ų188145.5 Ų145.588%0.87983%0.825SS**PPolyproline II helixtrans-81.2120.8179.4-87.4-153.9106.400111.9
8E50.3Low54.9Low185 Ų185143.9 Ų143.986%0.86482%0.819SS**PPolyproline II helixtrans-75.9125.9174.1-170.2179.7114.900110.7
9K63.7Low55.2Low196 Ų196146.2 Ų146.285%0.85282%0.819SS**PPolyproline II helixtrans-85.8122.8-176.6-166.4175.9-175.4178.70110.3A11K9-A11 PolarHBondContact O-N 3.16Å
10P50.7Low55.7Low110 Ų110147.7 Ų147.771%0.71482%0.819SS**PPolyproline II helixtrans-66134.3-170.625.2-34.8000112.8I12P10-I12 PolarHBondContact O-N 3.33Å
11A46.5Very low55.6Low103 Ų103149.7 Ų149.785%0.85182%0.819SS**  trans-71.1114.8178.500000111.4K9 A13K9-A11 PolarHBondContact O-N 3.16Å; A11-A13 PolarHBondContact O-N 3.47Å
12I58.7Low56.5Low164 Ų164145.1 Ų145.184%0.84180%0.8SS**  trans-76113.6174.2-71.1161.6000109.2P10P10-I12 PolarHBondContact O-N 3.33Å
13A51.3Low56.5Low80 Ų80150 Ų15066%0.66180%0.804SS**PPolyproline II helixtrans-68.5146.2173.800000111.6A11A11-A13 PolarHBondContact O-N 3.47Å
14P57.2Low56.7Low111 Ų111146 Ų14672%0.72180%0.799SS**PPolyproline II helixtrans-67.3149177.328.6-35.1000111.9V16P14-V16 PolarHBondContact O-N 2.87Å
15P63.1Low56.5Low110 Ų110148.2 Ų148.271%0.71481%0.805SS**PPolyproline II helixtrans-68.8120.5-174.727.1-34.6000112.3F17P15-F17 PolarHBondContact O-N 2.91Å
16V62.9Low55.8Low129 Ų129152 Ų15278%0.78280%0.802SS**  trans-80.2108.1174179.50000109.7P14 V18P14-V16 PolarHBondContact O-N 2.87Å; V16-V18 HydrophobicContact CG1-CG2 4.4Å; V16-V18 PolarHBondContact O-N 2.85Å
17F67.9Low55.5Low176 Ų176149.1 Ų149.177%0.77280%0.795SS**  trans-74.4103.9172.2-89.2-95.1000111P15 F19P15-F17 PolarHBondContact O-N 2.91Å; F17-F19 PolarHBondContact O-N 3.22Å
18V63.6Low54.9Low117 Ų117146 Ų14671%0.70979%0.791SS**  trans-81.8102.3173.3-175.30000109.3V16 Q20V16-V18 HydrophobicContact CG1-CG2 4.4Å; V16-V18 PolarHBondContact O-N 2.85Å; V18-Q20 PolarHBondContact O-N 3.39Å
19F60Low54.5Low187 Ų187141.6 Ų141.682%0.8279%0.786SS**  trans-70.7101.6171.7-91.2-91.4000110.6F17 K21F17-F19 PolarHBondContact O-N 3.22Å; F19-K21 PolarHBondContact O-N 3.39Å
20Q65.3Low53.7Low177 Ų177141.7 Ų141.783%0.82779%0.79SS**  trans-66.489.3173.4-163.290.149.700109.7V18 D22V18-Q20 PolarHBondContact O-N 3.39Å; Q20-D22 PolarHBondContact O-N 3.1Å
21K53.8Low53.3Low189 Ų189144.2 Ų144.282%0.82279%0.792SS**  trans-74.389.9179.8-176.1166.3-175.6160.30111F19F19-K21 PolarHBondContact O-N 3.39Å
22D66Low53.4Low148 Ų148147.8 Ų147.879%0.79179%0.788SS**  trans-63.8155175.6-144.1-47.9000112.1Q20Q20-D22 PolarHBondContact O-N 3.1Å
23K44Very low52.6Low193 Ų193146.5 Ų146.584%0.83978%0.783SS**  trans-136.151-158.8-124.9-176.9-175.4-176.80114.8
24G45.4Very low52.2Low70 Ų70150.8 Ų150.872%0.72279%0.794SS**  100.7165.8127.700000119.5
25Q49.3Very low51.7Low206 Ų206151.3 Ų151.396%0.96380%0.8SS**  trans-142.7170.8146-104.4-169.76.300109.2
26K45.2Very low50.6Low187 Ų187153.8 Ų153.881%0.81381%0.808SS**  trans-140.9116-153.7-170.5-169.3-177.2-171.90113.4
27S42.6Very low49.9Very low106 Ų106153.1 Ų153.174%0.74181%0.809SS**  trans68.1169.6153.277.70000116.2
28P46.6Very low48.5Very low123 Ų123148.3 Ų148.380%0.79981%0.808SS**  cis-128.6172.88.841.9-25.4000117.9
29A40.7Very low47.7Very low91 Ų91152.1 Ų152.175%0.75282%0.818SS**  trans-54157.7-176.400000117.1
30E46.4Very low46.9Very low199 Ų199151.9 Ų151.993%0.9382%0.82SS**  trans-126.5159.3141.1-142.6178.9134.200110
31Q42.4Very low46.4Very low163 Ų163149.2 Ų149.276%0.76282%0.818SS**  trans-119.4141.1-168.7-52.7164.4-90.600110.7
32K48.2Very low46.1Very low177 Ų177151.6 Ų151.677%0.7782%0.822SS**  171.2149.5110-96.1167.5-178.5169.40115.8
33N42.5Very low44.7Very low138 Ų138147.6 Ų147.674%0.73882%0.816SS**  trans56.695.6142.4-59.53000119.4
34L43.3Very low44.6Very low170 Ų170148.1 Ų148.189%0.8982%0.821SS**  trans-45.6147.6137-63.6149.8000111.4
35S46.2Very low44.5Very low122 Ų122149 Ų14985%0.85382%0.821SS**  trans-148.1118.5148.5-73.40000107.7
36D40.1Very low44.1Very low162 Ų162148.6 Ų148.687%0.86682%0.819SS**  trans-108.9130.9179.6176.828.1000108
37S48.5Very low44.1Very low115 Ų115143.9 Ų143.980%0.80482%0.815SS**  trans-160.5101.8179.258.40000109
38G37.6Very low44.4Very low74 Ų74143.4 Ų143.476%0.76381%0.81SS**  trans-87.6152172.900000112.5
39E46.7Very low44.3Very low197 Ų197144.5 Ų144.592%0.92180%0.804SS**  trans-132.5127.8164.4-90.5-17888.100109.3
40E44.2Very low44.6Very low183 Ų183148.6 Ų148.686%0.85581%0.807SS**  trans-86.4145.6156.5-76.2-152.8129.400109.7
41P55.7Low44.3Very low121 Ų121142.1 Ų142.179%0.78679%0.794SS**  trans-111.2124150.332.5-22.8000110.8
42R46.1Very low44.6Very low239 Ų239141.7 Ų141.790%0.90280%0.803SS**  trans-58148.3166.9-71.4175.6168.1-174.5-6.2110.9
43G37.6Very low44.2Very low64 Ų64137.3 Ų137.366%0.6681%0.807SS**  trans-82.3-170.2164.100000113
44E41.9Very low44.2Very low203 Ų203139.4 Ų139.495%0.94981%0.812SS**  trans72.8132-179.7-50.1-171.1140.200113.9
45A43.7Very low44.6Very low89 Ų89135.3 Ų135.374%0.73680%0.796SS**  cis-150.6172.52.900000113.2
46E39.5Very low44.4Very low197 Ų197137.4 Ų137.492%0.92179%0.792SS**  trans65.8144.1162.6-65.6-168.498.700121.4
47A45Very low44.7Very low88 Ų88134.6 Ų134.673%0.72779%0.786SS**  trans-152.5-175173.200000105.5
48P48.9Very low44.7Very low97 Ų97134.2 Ų134.263%0.6379%0.789SS**  cis-126.7-165.5-941.1-25.1000111.9
49H45Very low44.9Very low146 Ų146133.8 Ų133.868%0.67679%0.785SS**  159.4128.5124.7-88.6-72.2000112.7
50H46.4Very low44.9Very low177 Ų177132.7 Ų132.782%0.81978%0.78SS**  trans39.8139.6157.1-47.2-65.2000121.3
51G41.5Very low44.9Very low62 Ų62132.3 Ų132.364%0.63978%0.778SS**  cis161.7156.7-3.300000112.7
52T48.6Very low44.1Very low155 Ų155131.2 Ų131.295%0.95178%0.779SS**  trans48.6111.4160.852.70000120.4
53G39.2Very low44.2Very low84 Ų84128.5 Ų128.587%0.86678%0.781SS**  trans-175.3125.1163.200000114.3
54H42.4Very low44.2Very low182 Ų182133.6 Ų133.684%0.84379%0.788SS**  trans-164.3147.5-175.7170.1-84.4000108.3
55P51.5Low45.3Very low85 Ų85129.3 Ų129.355%0.55278%0.778SS**  cis-125.9-162.2-13.436.6-16.6000112.7
56E41.6Very low45.7Very low165 Ų165130.4 Ų130.477%0.77178%0.777SS**  140.5129.7110.1-136.317612800118
57S48.1Very low45.6Very low104 Ų104125.5 Ų125.573%0.72777%0.77SS**  trans70.4135.7145.8-93.70000126
58A47.4Very low46.6Very low106 Ų106127.5 Ų127.588%0.87678%0.776SS**  trans81.5147.3142.800000122.4
59G41.3Very low46.3Very low66 Ų66127.9 Ų127.968%0.6879%0.787SS**  trans91.994.7179.900000113.1
60E46.9Very low46.1Very low173 Ų173124.8 Ų124.881%0.80880%0.795SS**  76.7150.853.4-61.5-157.584.500115.8
61H45.7Very low45.9Very low176 Ų176121.5 Ų121.582%0.81580%0.798SS**  trans68.596.9-172.1-43.3-66.9000113.9
62A38.2Very low45.9Very low98 Ų98124.4 Ų124.481%0.8181%0.809SS**  cis68.9104.946.200000114.7
63L47.7Very low45.7Very low182 Ų182121.6 Ų121.695%0.95380%0.801SS**  trans-162.3133.9151.9-104.1177000109.6
64E38.2Very low46.1Very low170 Ų170123.1 Ų123.179%0.79480%0.799SS**  trans-111137.3-179.4178.6-167.4130.300110.5
65P64.5Low46.3Very low114 Ų114120.7 Ų120.774%0.7480%0.797SS**  trans-105.2148.9161.435.2-27.1000112.5
66P51.5Low47.1Very low111 Ų111122.1 Ų122.172%0.72181%0.806SS**PPolyproline II helixtrans-96.4165.4-152.437.4-39.1000116.2
67A37.9Very low48.1Very low94 Ų94119.7 Ų119.778%0.77781%0.805SS**PPolyproline II helixtrans-78.5137.6169.500000112.8
68P65.7Low48.8Very low131 Ų131120.2 Ų120.285%0.85181%0.806SS**PPolyproline II helixtrans-84.1145.6166.434-32.6000111.2
69A43.5Very low49.8Very low105 Ų105121.5 Ų121.587%0.86881%0.805SS**  trans-114.4145.6-178.400000112.9
70G40.4Very low50.5Low81 Ų81122.7 Ų122.784%0.83581%0.808SS**  trans89.3103.1147.600000118.6
71A42.7Very low50.7Low107 Ų107120.5 Ų120.588%0.88481%0.809SS**  trans-145.5140.114300000108.4
72S40.4Very low50.8Low123 Ų123121.2 Ų121.286%0.8681%0.813SS**  trans-119178.4-176-660000111.5
73A44.9Very low51.3Low96 Ų96121.1 Ų121.179%0.79381%0.812SS**  trans81.3138.5179.700000115.2
74S47.7Very low50.9Low116 Ų116120.7 Ų120.781%0.81181%0.805SS**  cis-153.2146.7-9-1050000111.8
75T47.1Very low51.4Low132 Ų132119.8 Ų119.881%0.8181%0.805SS**PPolyproline II helixtrans-101.7132.3174.9-46.60000110
76P67.9Low50.5Low115 Ų115119 Ų11975%0.74780%0.8SS**PPolyproline II helixtrans-74.3137.5172.430.5-33.4000111.3
77P63.3Low50.1Low113 Ų113119.4 Ų119.473%0.73480%0.803SS**PPolyproline II helixtrans-85.6157.9176.934.9-35.2000112.4
78P62.7Low50.4Low116 Ų116124.4 Ų124.475%0.75381%0.807SS**PPolyproline II helixtrans-73.7149.4166.532.4-34.3000111.3
79P68.8Low49.2Very low133 Ų133123.4 Ų123.486%0.86480%0.801SS**PPolyproline II helixtrans-69.9151.4170.230.4-34.1000111.5
80A55.5Low49Very low90 Ų90128.9 Ų128.974%0.74480%0.799SS**PPolyproline II helixtrans-102.9158.6-17000000113.7
81P51.4Low49.1Very low128 Ų128131.4 Ų131.483%0.83179%0.789SS**PPolyproline II helixtrans-89.6123.916633.7-30000112
82E46.8Very low49.1Very low191 Ų191133 Ų13389%0.89378%0.782SS**  trans-108.5154.6156.2-66.6-170.789.500108.2
83A48.7Very low49.2Very low96 Ų96132 Ų13279%0.79378%0.78SS**  cis-137.717414.200000113.4
84Q40.5Very low49Very low173 Ų173130.8 Ų130.881%0.80878%0.778SS**  trans-89158179.3-58.1157.132.100110.6
85L46.9Very low48.8Very low151 Ų151137.3 Ų137.379%0.79179%0.785SS**  161.7173.891.3-79.3175.6000107.8
86P45.4Very low48.6Very low97 Ų97136.5 Ų136.563%0.6378%0.784SS**  -128.8171.3-52.138.6-23.4000112.4
87P43.5Very low47.6Very low120 Ų120136.1 Ų136.178%0.77979%0.791SS**  trans-95.3158.5-177.636.8-35.3000115
88F43.9Very low46.7Very low198 Ų198134.8 Ų134.887%0.86880%0.798SS**  trans-134.3151.7165-81.2-80.1000112.5
89P41.3Very low45.8Very low110 Ų110132.5 Ų132.571%0.71480%0.796SS**  trans-129.7159.3-162.940.8-25.1000117.4
90R40.4Very low44.9Very low221 Ų221132 Ų13283%0.83480%0.795SS**  trans65.3160.1156.8-88-178.3136.5134.9-4.1116.5
91E40.5Very low44.8Very low133 Ų133132.5 Ų132.562%0.62179%0.793SS**  cis-153.8166.111.9-136.3-177.3175.100115
92L42.9Very low45.5Very low142 Ų142132.4 Ų132.474%0.74379%0.793SS**  trans67130.5148-76.8167.5000124.6
93A42.4Very low46.4Very low100 Ų100132.8 Ų132.883%0.82679%0.794SS**  trans67.3148.314500000121.2
94G42.1Very low46.3Very low72 Ų72131.8 Ų131.874%0.74279%0.794SS**  cis14777.9-12.500000117.2
95R42.9Very low47.2Very low252 Ų252127.7 Ų127.795%0.95180%0.798SS**  trans178.9143.1163.2-101.9157.6168-150.6-5.9107.8
96S43.2Very low47.6Very low115 Ų115129.7 Ų129.780%0.80480%0.803SS**  cis115.9117.23.5-167.60000113.4
97A47.4Very low48.3Very low108 Ų108132.2 Ų132.289%0.89381%0.811SS**  trans63.8149.6-177.600000116.9
98G42.7Very low49.1Very low85 Ų85131 Ų13188%0.87681%0.805SS**  cis170.3153.9-800000113.2
99G44.8Very low49.6Very low68 Ų68129.5 Ų129.570%0.70181%0.806SS**  trans136.1128.9-177.500000110.7
100S49Very low50.3Low121 Ų121135.2 Ų135.285%0.84681%0.814SS**  75124.861.2-68.90000112.5
101S54.2Low51.3Low102 Ų102133.6 Ų133.671%0.71382%0.816SS**  cis-154.1162-2.2-72.80000109.9
102P65.3Low51.8Low126 Ų126134.6 Ų134.682%0.81883%0.825SS**PPolyproline II helixtrans-80.4138.9166.133.2-32.2000111.1
103E66.6Low52.4Low198 Ų198131.2 Ų131.293%0.92583%0.825SS**PPolyproline II helixtrans-85.1153.5167.3-65.2-159.2112.100111.4
104G47.4Very low52.9Low76 Ų76133.9 Ų133.978%0.78483%0.825SS**PPolyproline II helixtrans-90.6129.4178.500000111.9
105G59.4Low53.5Low86 Ų86140 Ų14089%0.88783%0.827SS**  trans-99.5102.3163.200000109.6
106E53.6Low54.3Low194 Ų194133.3 Ų133.391%0.90782%0.818SS**  trans-90.4120.2171.2-54.8178.3141.500108.1
107D60.3Low55.7Low150 Ų150132.2 Ų132.280%0.80281%0.808SS**  trans-147.6122.8169.1-160.74.5000113.7
108S60.8Low56.3Low94 Ų94132.4 Ų132.466%0.65780%0.8SS**  trans40.4111.3156.9-58.90000120.6
109D53.7Low57.3Low166 Ų166135 Ų13589%0.88880%0.799SS**  trans-50.8146.3149.9-67.4-71.9000112
110R57.8Low58Low231 Ų231141.6 Ų141.687%0.87281%0.808SS**  trans-145.6152.6160.2-123.4-178.1-179.199.21.7111.9
111E60.1Low58.2Low187 Ų187147.3 Ų147.387%0.87481%0.811SS**  trans-81171.4-149.7-65.3166.7100.700116.9
112D52.2Low58.1Low153 Ų153151.6 Ų151.682%0.81882%0.82SS**  trans-36.9140.3176.5-88-77.3000117.4
113G55.5Low57.3Low71 Ų71156.1 Ų156.173%0.73282%0.82SS**  trans-149.326.9179.600000115.5Y115G113-Y115 PolarHBondContact O-N 3.36Å
114N51.2Low56.4Low157 Ų157152.7 Ų152.784%0.8481%0.813SS**  trans-7278.3-176.9-83.4-56.5000113.5
115Y54.5Low56.4Low200 Ų200154.1 Ų154.178%0.78481%0.811SS**  trans-87.7110.9174.9-172-102.2000112.4G113G113-Y115 PolarHBondContact O-N 3.36Å
116C60.7Low55.8Low111 Ų111154.8 Ų154.875%0.7580%0.802SS**  trans-112126.2172.2-165.30000109.8
117P71.6Confident55.6Low92 Ų92152.6 Ų152.660%0.59780%0.796SS**PPolyproline II helixtrans-71.4134.3-171.627.4-34.7000112.6V119P117-V119 PolarHBondContact O-N 3.37Å
118P61.3Low55.1Low113 Ų113151.6 Ų151.673%0.73480%0.795SS**PPolyproline II helixtrans-76.8124.4-176.129.6-34.5000112.6
119V63.8Low54.4Low139 Ų139154.9 Ų154.984%0.84280%0.8SS**PPolyproline II helixtrans-78.1126.4168.8-172.80000109.2P117 R121P117-V119 PolarHBondContact O-N 3.37Å; V119-R121 PolarHBondContact O-N 3.08Å
120K58.6Low54Low207 Ų207155.9 Ų155.990%0.980%0.797SS**PPolyproline II helixtrans-60.9126.9174.7-72.6-174.5176.9-177.50110.2
121R54.2Low53.8Low240 Ų240150.1 Ų150.191%0.90679%0.79SS**  trans-118.2100.3-175.9-173.1-179.9-166.4158.14.8110.5V119V119-R121 PolarHBondContact O-N 3.08Å
122E52.6Low53.1Low192 Ų192147 Ų14790%0.89779%0.785SS**  trans-83.2174.4166.1-60.4-149.5113.500111.3
123R47.9Very low53Low221 Ų221145.7 Ų145.783%0.83479%0.789SS**  trans-132.7144.7-138.5-168-164.3167.2146.4-4.6113.4
124T48.2Very low52.3Low127 Ų127151.5 Ų151.578%0.77980%0.797SS**  trans72.2156175.781.10000114.4
125S45.8Very low52Low105 Ų105149.2 Ų149.273%0.73479%0.793SS**  cis-137.8-175.87.364.80000113.1
126S47Very low51.4Low100 Ų100148.7 Ų148.770%0.69980%0.797SS**  trans-37.4155.2175.545.50000116.2
127L50.3Low50.7Low149 Ų149150.3 Ų150.378%0.7879%0.794SS**  -172.4156.662.1-174.259.5000114
128T50.5Low49.4Very low128 Ų128155 Ų15579%0.78580%0.8SS**  trans60.8111.6163.837.70000121.4
129Q45Very low48.7Very low163 Ų163155.6 Ų155.676%0.76281%0.807SS**  trans-69.4148.1163159.5-170.75.700113.7
130F45Very low48.3Very low188 Ų188155 Ų15583%0.82581%0.809SS**  trans-178.4158.9132.5-88.5-56.2000111.1
131P54.9Low47.9Very low109 Ų109148.8 Ų148.871%0.70880%0.803SS**  trans-97167.3-156.637.9-39.7000117.1
132P43.8Very low48Very low121 Ų121147.5 Ų147.579%0.78680%0.804SS**  trans-86.3171.6-176.435.8-37.7000115.1
133S51.9Low48.4Very low127 Ų127149.9 Ų149.989%0.88881%0.805SS**  trans-144.6156.7169.8-70.70000110.9
134Q40.4Very low49.3Very low193 Ų193147.1 Ų147.190%0.90281%0.806SS**  trans-97.6143.2-173.3-54.8175.113.300112.3
135S44Very low50.3Low108 Ų108150.3 Ų150.376%0.75581%0.809SS**  trans-167.596.7146.960.90000112.7
136E42.2Very low51.2Low189 Ų189150.6 Ų150.688%0.88381%0.808SS**  trans37.3135.2130.5-52.5-177.2127.300123.3
137E45.4Very low52.4Low145 Ų145151.9 Ų151.968%0.67882%0.815SS**  104.5154.2129.8-119.2-167.7-177.100123.7
138R44.1Very low53.3Low192 Ų192150.5 Ų150.573%0.72581%0.812SS**  trans75.664.6166.3-52-57.5166.7177.7-11120.9
139S47.1Very low53.8Low125 Ų125152.7 Ų152.787%0.87482%0.818SS**  9.8126.4126.2-47.20000121
140S56Low54.7Low127 Ų127152 Ų15289%0.88882%0.819SS**  trans-146.3116.5142.368.20000110
141G49Very low55.5Low75 Ų75152 Ų15277%0.77382%0.82SS**  trans-128.1139-17000000114.7
142F56.9Low55.3Low214 Ų214149.7 Ų149.794%0.93982%0.817SS**  trans-120.2103162.7-84.8-88.2000109.3
143R62.1Low55.3Low241 Ų241153.1 Ų153.191%0.90982%0.823SS**  trans-127.892.2172.3-170.3173.4-173.5163.72.5109.3K145R143-K145 PolarHBondContact O-N 3.21Å
144L65.4Low54.9Low163 Ų163151.8 Ų151.885%0.85382%0.819SS**PPolyproline II helixtrans-63.6127.2172.1-62.4176.7000108.9
145K68.7Low55.9Low194 Ų194148.7 Ų148.784%0.84382%0.816SS**PPolyproline II helixtrans-75.9135.6166.9-76-179.5173.5179.30108.5R143R143-K145 PolarHBondContact O-N 3.21Å
146P66.3Low56Low111 Ų111149.3 Ų149.372%0.72182%0.82SS**PPolyproline II helixtrans-64.8139.2168.428.9-33.5000109.4T148P146-T148 PolarHBondContact O-N 2.55Å
147P71.4Confident56.3Low128 Ų128145.2 Ų145.283%0.83182%0.819SS**PPolyproline II helixtrans-71121.2173.928.7-32.6000109.9L149P147-L149 PolarHBondContact O-N 3.02Å
148T69.3Low56.3Low119 Ų119141.9 Ų141.973%0.7382%0.823SS**PPolyproline II helixtrans-70.5118.1170.545.50000109.8P146 I150P146-T148 PolarHBondContact O-N 2.55Å; T148-I150 PolarHBondContact O-N 3.13Å; T148-I150 VanDerWaalsContact O-N 3.08Å
149L61.5Low56.5Low174 Ų174141 Ų14191%0.91183%0.832SS**  trans-71.398.2174.3-171.798.4000109.7P147P147-L149 PolarHBondContact O-N 3.02Å
150I64.3Low56.6Low150 Ų150140.7 Ų140.777%0.76983%0.827SS**  trans-85128.6174.2-55.6178.6000108.7T148T148-I150 PolarHBondContact O-N 3.13Å; T148-I150 VanDerWaalsContact O-N 3.08Å
151H60.5Low56Low186 Ų186140 Ų14086%0.86182%0.822SS**  trans-84.5129.9-177.2-177.3103.1000111.3
152G50.1Low55.9Low62 Ų62145.6 Ų145.664%0.63983%0.828SS**  trans127.4143.6160.400000117.7
153Q45.5Very low55.2Low193 Ų193144.6 Ų144.690%0.90282%0.824SS**  trans58.698.4155.1-13992.34.900119
154A43Very low54.3Low98 Ų98138.6 Ų138.681%0.8182%0.815SS**  trans-90.8127.5160.700000111
155P61.3Low53.4Low128 Ų128139.6 Ų139.683%0.83181%0.813SS**  trans-81.6151.7167.733.1-32.6000111.2
156S46.6Very low52.1Low122 Ų122139.7 Ų139.785%0.85382%0.816SS**  trans-117.5170-178.9-168.80000112.3
157A48.5Very low51.4Low103 Ų103140.9 Ų140.985%0.85181%0.812SS**  trans71.2144.7-179.500000117.2
158G45.7Very low50.3Low75 Ų75143.4 Ų143.477%0.77381%0.813SS**  trans143.843.9173.400000117.3P160G158-P160 WeakPolarHBondContact O-CD 2.99Å
159L46.6Very low49.3Very low172 Ų172149.1 Ų149.190%0.90182%0.821SS**  trans-89.9127.2175-161.188000111.8
160P49.1Very low48.8Very low119 Ų119146.1 Ų146.177%0.77382%0.815SS**  trans-128.8148.4146.335.3-24.4000112.5G158G158-P160 WeakPolarHBondContact O-CD 2.99Å
161S43.8Very low48.3Very low113 Ų113144.4 Ų144.479%0.7981%0.811SS**  trans-95.3124.9-175.4178.40000112.8
162Q47.5Very low48Very low192 Ų192143.2 Ų143.290%0.89781%0.81SS**  trans-145.2140.7153.6-82.1-162.5-7.500112.6
163K42.1Very low48.8Very low194 Ų194150.4 Ų150.484%0.84382%0.818SS**  trans-79.8175.4164.2-87.7-179178.6-179.80110.2
164P43.9Very low49.6Very low114 Ų114147 Ų14774%0.7481%0.813SS**  cis-135.5163.5-26.234.3-17.8000114
165K45.4Very low50.4Low185 Ų185147 Ų14780%0.80481%0.812SS**  trans-168.7125.7131.2-116.5177.9-179.5-1770111.9
166E41.2Very low50.2Low195 Ų195147.3 Ų147.391%0.91181%0.812SS**  trans-102.4106.3174.3-173178160.100109.2
167Q51.8Low50.5Low136 Ų136149.8 Ų149.864%0.63682%0.815SS**  trans-137.4111.6170.4-78.2-173.6-87.200111
168Q47.7Very low50.5Low182 Ų182152.8 Ų152.885%0.8581%0.811SS**  trans50.478.9144.7-61.7174.5-44.400117.1
169R48.9Very low50.8Low239 Ų239152.9 Ų152.990%0.90280%0.804SS**  trans-107.1124.5142.9-71.4-174.271.5172.80.8108.9V171R169-V171 PolarHBondContact O-N 2.73Å
170S50.9Low51.1Low110 Ų110150.7 Ų150.777%0.76980%0.8SS**  trans-69.6113.3-172.551.70000112.1L172S170-L172 PolarHBondContact O-N 3.34Å
171V54.5Low51.3Low115 Ų115152.5 Ų152.570%0.69780%0.799SS**  trans-77.1108.9165.4179.60000108.4R169 R173R169-V171 PolarHBondContact O-N 2.73Å; V171-R173 HydrophobicContact CG1-CG 4.45Å; V171-R173 PolarHBondContact O-N 3.07Å
172L54.6Low51.6Low161 Ų161152.9 Ų152.984%0.84380%0.799SS**  trans-69.899.1172.3-69.4171.7000109.4S170S170-L172 PolarHBondContact O-N 3.34Å
173R66.1Low51.7Low213 Ų213153.2 Ų153.280%0.80480%0.797SS**PPolyproline II helixtrans-81.7142167.2-70.9-172.7172.395.3-3.5109.7V171V171-R173 HydrophobicContact CG1-CG 4.45Å; V171-R173 PolarHBondContact O-N 3.07Å
174P63.4Low51.6Low121 Ų121148.6 Ų148.679%0.78680%0.795SS**PPolyproline II helixtrans-56.5144169.2-23.834.3000111.5V176P174-V176 PolarHBondContact O-N 3.06Å
175A58Low51.7Low97 Ų97150.7 Ų150.780%0.80280%0.799SS**PPolyproline II helixtrans-71.2126.7174.400000110.3L177A175-L177 PolarHBondContact O-N 3.33Å
176V58.6Low51.5Low136 Ų136146.7 Ų146.782%0.82480%0.795SS**PPolyproline II helixtrans-70.7117.7167.2174.40000107.9P174 Q178P174-V176 PolarHBondContact O-N 3.06Å; V176-Q178 VanDerWaalsContact C-N 3.32Å; V176-Q178 PolarHBondContact O-N 3.44Å
177L51.5Low51.4Low174 Ų174146.1 Ų146.191%0.91179%0.792SS**  trans-70.187.6173.1-92.2157.5000109.8A175 A179A175-L177 PolarHBondContact O-N 3.33Å; L177-A179 PolarHBondContact O-N 3.07Å
178Q49.2Very low50.7Low165 Ų165146 Ų14677%0.77180%0.801SS**PPolyproline II helixtrans-69.1121.3171.8-174.1174.4400109.7V176V176-Q178 VanDerWaalsContact C-N 3.32Å; V176-Q178 PolarHBondContact O-N 3.44Å
179A52Low50.3Low77 Ų77143 Ų14364%0.63680%0.795SS**PPolyproline II helixtrans-64.2143.1178.100000111.5L177 Q181L177-A179 PolarHBondContact O-N 3.07Å; A179-Q181 PolarHBondContact O-N 3.07Å
180P53.9Low50.1Low126 Ų126137.5 Ų137.582%0.81879%0.789SS**PPolyproline II helixtrans-61133.1175.9-22.833.9000112.2
181Q52.6Low49.7Very low158 Ų158137 Ų13774%0.73879%0.786SS**PPolyproline II helixtrans-66.1132.1173.8-74.8-77.6-46.700110.9A179 K183A179-Q181 PolarHBondContact O-N 3.07Å; Q181-K183 PolarHBondContact O-N 2.74Å; Q181-K183 VanDerWaalsContact O-N 3.15Å
182P50.2Low49.1Very low121 Ų121137.8 Ų137.879%0.78680%0.797SS**  trans-72.8106.6178.429.2-33.5000110.8A184P182-A184 PolarHBondContact O-N 3.34Å
183K50.2Low48.5Very low199 Ų199134 Ų13487%0.86580%0.797SS**  trans-80.996.1171.3-73.6-175.7176.3-179.70110.4Q181Q181-K183 PolarHBondContact O-N 2.74Å; Q181-K183 VanDerWaalsContact O-N 3.15Å
184A39.2Very low47.6Very low97 Ų97130 Ų13080%0.80280%0.796SS**  trans-74.5125.5163.900000109.9P182P182-A184 PolarHBondContact O-N 3.34Å
185L45Very low46.7Very low157 Ų157132 Ų13282%0.82280%0.8SS**  trans-157102.3168.2-117.6162.8000111.8
186S41.3Very low46Very low102 Ų102130.5 Ų130.571%0.71379%0.794SS**  trans39.691.7148.6-52.20000120.2
187Q40.2Very low45.4Very low183 Ų183131 Ų13186%0.85580%0.797SS**  19.4113.4123.8-173.6-175.291.300118
188T37.8Very low45Very low133 Ų133127.9 Ų127.982%0.81679%0.79SS**  trans-152.9137.6144.9-71.70000107.9
189V38.5Very low44.6Very low120 Ų120128.2 Ų128.273%0.72780%0.796SS**  trans-120.2136.8-177.7-179.80000108.8
190P44.6Very low44.3Very low122 Ų122130.6 Ų130.679%0.79281%0.805SS**  -132.5155.1124.119.8-0.9000113.4
191S41.5Very low44.1Very low101 Ų101129 Ų12971%0.70680%0.802SS**  trans-77.7177.5-173.5-44.90000115.1
192S43.2Very low43.6Very low130 Ų130129.3 Ų129.391%0.90981%0.809SS**  trans91.5139.7153.9-510000117.9
193G42Very low43Very low82 Ų82129.8 Ų129.885%0.84581%0.814SS**  trans138.178.7167.100000115.3
194T47.4Very low42.5Very low130 Ų130127.2 Ų127.280%0.79882%0.815SS**  trans-87.5140.4159.61710000109.7
195N44.2Very low42.3Very low162 Ų162126.7 Ų126.787%0.86682%0.819SS**  trans177.5150.8150.8-86.5-28.2000107.3
196G42.6Very low42Very low65 Ų65124.2 Ų124.267%0.6782%0.821SS**  cis127.984.710.200000108.7
197V46.3Very low42Very low148 Ų148126 Ų12690%0.89783%0.828SS**  trans-81.3140.9-178.384.20000110.3
198S43.3Very low42.2Very low107 Ų107122.8 Ų122.875%0.74882%0.822SS**  trans-145144.8-179.8-67.90000110.1
199L40.7Very low42.2Very low172 Ų172121.1 Ų121.190%0.90182%0.822SS**  trans-76.5139.6179.2-64.3119.3000110.6
200P45.4Very low42.4Very low128 Ų128120.3 Ų120.383%0.83183%0.828SS**  trans-85.7132.3168.133.3-30.8000110.8
201A49.2Very low42.1Very low91 Ų91120 Ų12075%0.75283%0.829SS**  trans-147.6127165.400000110.1
202D42.6Very low42.6Very low165 Ų165120.4 Ų120.488%0.88283%0.829SS**  trans47128.6164.6-57.8-39.8000121.6
203C36.9Very low42.6Very low131 Ų131121.2 Ų121.289%0.88582%0.823SS**  trans-104.8153.9176.9-530000111.3
204T41.5Very low42.4Very low146 Ų146123.7 Ų123.790%0.89682%0.822SS**  trans-133.5120.6168.329.40000112.7
205G34.7Very low42.1Very low85 Ų85121.3 Ų121.388%0.87682%0.815SS**  trans72.494148.900000120.5
206A38.1Very low41.8Very low106 Ų106117.2 Ų117.288%0.87680%0.804SS**  trans-160.4143.3136.200000111.9
207V41.9Very low41.5Very low140 Ų140124 Ų12485%0.84881%0.81SS**  trans-144.6149.1-174.1154.70000104.9
208P43.7Very low41.1Very low115 Ų115127 Ų12775%0.74781%0.805SS**  cis-144.6-179.529.736-13000119.4
209A38.6Very low40.7Very low98 Ų98127.2 Ų127.281%0.8181%0.806SS**  trans83.2158137.800000123.4
210A42.3Very low40.7Very low102 Ų102125.1 Ų125.184%0.84380%0.803SS**  trans85.5107.2170.700000118.9
211S38.1Very low40.2Very low116 Ų116124.1 Ų124.181%0.81180%0.799SS**  trans-92.1177.7166.1-34.90000110.3
212P52.8Low39.7Very low109 Ų109129.1 Ų129.171%0.70881%0.807SS**  -147.2172.455.540.5-19.6000118.1
213D41.8Very low39.6Very low147 Ų147125.8 Ų125.879%0.78680%0.802SS**  trans38.6141.3142.7-56.9-22.8000122.2
214T39Very low39.6Very low135 Ų135123.4 Ų123.483%0.82879%0.792SS**  cis-1541788.52.70000108.6
215A39.9Very low39.5Very low80 Ų80123.8 Ų123.866%0.66179%0.788SS**  cis-149161.75.400000108.6
216A38.9Very low39.7Very low76 Ų76127.4 Ų127.463%0.62878%0.782SS**  67.6127.765.100000114.5
217W36.7Very low39.8Very low208 Ų208128.2 Ų128.279%0.78877%0.768SS**  cis-137.5127.217.2-71.971.9000111.7
218R36.2Very low39.6Very low211 Ų211129.7 Ų129.780%0.79676%0.763SS**  78123.194.4-64.2-154.7-160.3-160.24.3118.3
219S36.3Very low39Very low110 Ų110132 Ų13277%0.76976%0.764SS**  trans-84.5-175.8154.3-45.50000111.3
220P41.1Very low39Very low128 Ų128131.6 Ų131.683%0.83175%0.753SS**  -149.2-179.192.740.6-23.3000116
221S34.4Very low38.9Very low108 Ų108133.6 Ų133.676%0.75575%0.745SS**  trans-119.9171172.9-48.50000110.6
222E37.6Very low39Very low195 Ų195135.5 Ų135.591%0.91174%0.739SS**  trans156.6166.3135.7-85.6-170.4127.500114.3
223A41.4Very low38.2Very low96 Ų96135.9 Ų135.979%0.79374%0.735SS**  trans69.9136.4-178.100000117.1
224A37.2Very low38.1Very low81 Ų81136.9 Ų136.967%0.66974%0.735SS**  cis89.1137.829.400000114.1
225D38.4Very low38.5Very low153 Ų153136.5 Ų136.582%0.81874%0.738SS**  cis-163.9178-6.7-88-22.4000106.7
226E39Very low38.4Very low161 Ų161138 Ų13875%0.75274%0.743SS**  cis-165.1178.51.9-130.3-70.67500110.5
227E40Very low38.5Very low124 Ų124142.8 Ų142.858%0.57976%0.758SS**  trans83.7124.9150.9-76.7-151.2141.900124.4
228K37.8Very low38.5Very low170 Ų170137.7 Ų137.774%0.73976%0.76SS**  trans94.5130.1130.7-81.5174.3-177.8138.90126
229E31.6Very low38.8Very low165 Ų165132.3 Ų132.377%0.77176%0.755SS**  trans-64.6-175163.4-125.5-142.5108.700113.3Q231E229-Q231 PolarHBondContact OE1-N 2.87Å; E229-Q231 VanDerWaalsContact OE1-N 3.16Å
230P38.6Very low39.2Very low89 Ų89135.4 Ų135.458%0.57876%0.757SS**  cis-148.4177.225.945.2-24.7000121.3
231Q40.5Very low39.3Very low144 Ų144138.3 Ų138.367%0.67376%0.76SS**  trans69.4158.1151.1-79.4172.540.300118.8E229E229-Q231 PolarHBondContact OE1-N 2.87Å; E229-Q231 VanDerWaalsContact OE1-N 3.16Å
232K39.7Very low39.6Very low156 Ų156142.5 Ų142.568%0.67877%0.768SS**  cis-161.5148.310.2-135.7167.8-179168.40112.6
233N36.2Very low39.7Very low117 Ų117137.3 Ų137.363%0.62676%0.758SS**  trans48.9158.1143-6924.4000121.4
234E40.1Very low39.4Very low168 Ų168138.2 Ų138.279%0.78576%0.757SS**  cis-164.2136.6-8.9-115.3166.5127.400109.2
235S47.5Very low39.3Very low127 Ų127142.3 Ų142.389%0.88876%0.762SS**  trans-179.8131.2145.858.50000111.2
236S36.4Very low39.1Very low111 Ų111144.7 Ų144.778%0.77677%0.766SS**  trans-124.2144-178.9570000112.4
237N41.4Very low39.1Very low176 Ų176146.1 Ų146.194%0.94177%0.769SS**  trans-153.4152.3149.9-96.5-34.1000108.8
238A36.5Very low39.1Very low101 Ų101147 Ų14784%0.83578%0.778SS**  trans-142.8146.1-169.700000112.2
239S43.7Very low39.2Very low98 Ų98145 Ų14569%0.68578%0.782SS**  trans-164.4125.1163.654.50000109.7
240E44.4Very low39.7Very low175 Ų175141.8 Ų141.882%0.81878%0.784SS**  trans27.5112.9151-65.3114.4-129.100119.3
241E41.9Very low39.9Very low190 Ų190143.8 Ų143.889%0.88879%0.794SS**  75.59475.6-74.5-163.4170.300115.5
242E41.9Very low40.2Very low196 Ų196146.1 Ų146.192%0.91681%0.806SS**  trans-163.3160.1143.1-109.9-83.673.400108.4
243A39.5Very low41.2Very low85 Ų85147.1 Ų147.170%0.70281%0.812SS**  trans-123.4177-155.200000117.3
244C34.1Very low42.3Very low115 Ų115145.8 Ų145.878%0.77782%0.818SS**  trans84.7105.7160.9-102.10000121.6
245E35.5Very low44.1Very low168 Ų168145.4 Ų145.479%0.78581%0.814SS**  trans65116.2133.1-64.1-162.2137.600122.7
246K34.3Very low45.6Very low203 Ų203142.9 Ų142.988%0.88379%0.793SS**  trans-59.3153.6151.3-61.5170.1177.5174.20111
247K39.6Very low47.1Very low190 Ų190146.4 Ų146.483%0.82680%0.795SS**  trans-143.8132.6157.1-142.1156.1-165.6147.90111.8
248D38.8Very low48.8Very low144 Ų144140.3 Ų140.377%0.7777%0.773SS**PPolyproline II helixtrans-67.6155.8-175-68.5-83.9000113.8A250D248-A250 PolarHBondContact O-N 2.95Å
249P40.3Very low50.8Low126 Ų126140.6 Ų140.682%0.81876%0.757SS**PPolyproline II helixtrans-62.8119.1178.325.9-34.9000111.2
250A41.9Very low52.1Low98 Ų98140.1 Ų140.181%0.8175%0.747SS**PPolyproline II helixtrans-63.7136-17400000113.2D248D248-A250 PolarHBondContact O-N 2.95Å
251T44.2Very low53.4Low131 Ų131136 Ų13680%0.80473%0.73SS**PPolyproline II helixtrans-50.9134.3176.9-47.20000112.2Q253T251-Q253 PolarHBondContact O-N 3.17Å
252Q47.3Very low54.9Low194 Ų194137.8 Ų137.891%0.90773%0.729SS**  trans-61.999.8175.9-68.1180-9.700111.1A254Q252-A254 PolarHBondContact O-N 2.74Å
253Q59.2Low56.2Low176 Ų176134.3 Ų134.382%0.82272%0.717SS**  trans-69.2125.9169.4-66.8-172.54.500109.4T251T251-Q253 PolarHBondContact O-N 3.17Å
254A59.6Low57.6Low90 Ų90135.9 Ų135.974%0.74470%0.704SS**  trans-62.5136.7-179.700000111.3Q252 V256Q252-A254 PolarHBondContact O-N 2.74Å; A254-V256 PolarHBondContact O-N 3.19Å
255F78.1Confident59.1Low160 Ų160134.9 Ų134.970%0.70270%0.695SS**  trans-68.7105.5179.5-178.2-85.1000110.7F257F255-F257 HydrophobicContact CE1-CB 4.24Å; F255-F257 HydrophobicContact CE1-CD2 4.36Å
256V78.9Confident60.2Low74 Ų74135.9 Ų135.945%0.44870%0.697SS.*  trans-95124.9166.7-176.90000108.9A254 Q259 R264A254-V256 PolarHBondContact O-N 3.19Å; V256-Q259 HydrophobicContact CB-CB 3.97Å; V256-Q259 HydrophobicContact CG1-CB 3.99Å; V256-R264 PolarHBondContact O-NH2 3.49Å
257F68.9Low60.9Low184 Ų184132.4 Ų132.481%0.80769%0.687SS**THydrogen-bonded Turntrans-68.4131.9176-176-97.3000110.3F255 Q259F255-F257 HydrophobicContact CE1-CB 4.24Å; F255-F257 HydrophobicContact CE1-CD2 4.36Å; F257-Q259 VanDerWaalsContact C-N 3.31Å; F257-Q259 PolarHBondContact O-N 2.97Å
258G75.4Confident61.1Low48 Ų48130.8 Ų130.850%0.49569%0.685SS.*THydrogen-bonded Turntrans82.5-14.8-179.500000116.5
259Q79.3Confident61.3Low107 Ų107130.4 Ų130.450%0.568%0.684SS.*THydrogen-bonded Turntrans-74.4149.2176.8-167.3158.632.200111.6V256 F257 L261 R264V256-Q259 HydrophobicContact CB-CB 3.97Å; V256-Q259 HydrophobicContact CG1-CB 3.99Å; F257-Q259 VanDerWaalsContact C-N 3.31Å; F257-Q259 PolarHBondContact O-N 2.97Å; Q259-L261 PolarHBondContact O-N 2.92Å; Q259-L261 VanDerWaalsContact O-N 3.14Å; Q259-R264 PolarHBondContact O-NE 3.04Å; Q259-R264 PolarHBondContact O-NH2 2.97Å
260N70.2Confident61.5Low88 Ų88132.8 Ų132.847%0.47168%0.684SS.*THydrogen-bonded Turntrans53.633.9176.8-62.37000113.6R262 D263 R264N260-R262 VanDerWaalsContact C-N 3.28Å; N260-R262 PolarHBondContact O-N 2.78Å; N260-D263 WeakPolarHBondContact CA-OD2 3.21Å; N260-D263 HydrophobicContact CB-CB 4.41Å; N260-D263 WeakPolarHBondContact CB-OD2 3.23Å; N260-D263 PolarHBondContact O-N 3.38Å; N260-R264 WeakPolarHBondContact O-CG 3.46Å; N260-R264 PolarHBondContact O-N 3.07Å; N260-R264 VanDerWaalsContact O-N 3.13Å
261L72.7Confident61.3Low88 Ų88133.4 Ų133.446%0.46168%0.682SS.*Hα-helixtrans-63.9-34.8-174.9-158.173.5000111.9Q259 D263 R264 V265Q259-L261 PolarHBondContact O-N 2.92Å; Q259-L261 VanDerWaalsContact O-N 3.14Å; L261-D263 VanDerWaalsContact C-N 3.33Å; L261-D263 PolarHBondContact O-N 3.18Å; L261-R264 PolarHBondContact O-N 3.06Å; L261-V265 WeakPolarHBondContact O-CG2 3.44Å; L261-V265 PolarHBondContact O-N 3.48Å
262R72.8Confident61.5Low228 Ų228133.8 Ų133.886%0.8668%0.684SS**Hα-helixtrans-61.5-41.3175.4-63.7178.3-178.1176.2-2.8111.7N260 R264 V265N260-R262 VanDerWaalsContact C-N 3.28Å; N260-R262 PolarHBondContact O-N 2.78Å; R262-R264 VanDerWaalsContact C-N 3.32Å; R262-V265 PolarHBondContact O-N 3.17Å
263D70.8Confident61.2Low123 Ų123131.2 Ų131.266%0.65868%0.677SS**Hα-helixtrans-77.3-22.4-176.7-35.6-62.7000111.8N260 L261N260-D263 WeakPolarHBondContact CA-OD2 3.21Å; N260-D263 HydrophobicContact CB-CB 4.41Å; N260-D263 WeakPolarHBondContact CB-OD2 3.23Å; N260-D263 PolarHBondContact O-N 3.38Å; L261-D263 VanDerWaalsContact C-N 3.33Å; L261-D263 PolarHBondContact O-N 3.18Å
264R67.9Low60.1Low118 Ų118132 Ų13245%0.44568%0.68SS.*Hα-helixtrans-87.2-24.1174.3-64.6-171.3-128.3-160.86.3113.6V256 Q259 N260 L261 R262 K266V256-R264 PolarHBondContact O-NH2 3.49Å; Q259-R264 PolarHBondContact O-NE 3.04Å; Q259-R264 PolarHBondContact O-NH2 2.97Å; N260-R264 WeakPolarHBondContact O-CG 3.46Å; N260-R264 PolarHBondContact O-N 3.07Å; N260-R264 VanDerWaalsContact O-N 3.13Å; L261-R264 PolarHBondContact O-N 3.06Å; R262-R264 VanDerWaalsContact C-N 3.32Å; R264-K266 PolarHBondContact O-N 3.04Å
265V65.5Low59.2Low95 Ų95132.1 Ų132.158%0.57668%0.681SS**  trans-83.272.9173178.50000108.8L261 R262 L267L261-V265 WeakPolarHBondContact O-CG2 3.44Å; L261-V265 PolarHBondContact O-N 3.48Å; R262-V265 PolarHBondContact O-N 3.17Å; V265-L267 PolarHBondContact O-N 2.79Å; V265-L267 VanDerWaalsContact O-N 3.16Å
266K59.2Low57.3Low189 Ų189132 Ų13282%0.82269%0.688SS**  trans-73.6103.7171.1-167177.1-175.3-175.70108.5R264 I268R264-K266 PolarHBondContact O-N 3.04Å; K266-I268 PolarHBondContact O-N 3.18Å
267L48.9Very low55.9Low129 Ų129135.2 Ų135.268%0.67570%0.7SS**  trans-59.7130.7176.8-133.180000109.8V265 N269V265-L267 PolarHBondContact O-N 2.79Å; V265-L267 VanDerWaalsContact O-N 3.16Å; L267-N269 VanDerWaalsContact C-N 3.33Å; L267-N269 HydrophobicContact CD2-CB 4.46Å; L267-N269 PolarHBondContact O-N 3.39Å
268I43.9Very low54.3Low156 Ų156134.6 Ų134.680%0.870%0.699SS**  trans-88.782.7168.6-56.2166.6000106.5K266K266-I268 PolarHBondContact O-N 3.18Å
269N42.2Very low52.4Low137 Ų137140.2 Ų140.273%0.73372%0.718SS**  trans-116.3106.8165.9-114.370.1000106L267L267-N269 VanDerWaalsContact C-N 3.33Å; L267-N269 HydrophobicContact CD2-CB 4.46Å; L267-N269 PolarHBondContact O-N 3.39Å
270E45Very low50.2Low176 Ų176139.7 Ų139.782%0.82273%0.732SS**  trans-73.4137.5-177.6-66.2177.1120.300110.3
271S37.7Very low48.4Very low111 Ų111139 Ų13978%0.77675%0.746SS**  trans-80.5124.5173.849.90000109.9
272V47.9Very low46.6Very low139 Ų139143.9 Ų143.984%0.84277%0.766SS**  trans-126130164.2-178.30000107.1
273D40.3Very low45Very low140 Ų140138.8 Ų138.875%0.74976%0.762SS**  trans-79.9158.5-172.5-67.3-78.2000114
274E37.9Very low43.2Very low191 Ų191138.3 Ų138.389%0.89377%0.769SS**  trans29.5151.6154.8-59.3-163.1131.700123.7
275A39.7Very low41.6Very low94 Ų94137 Ų13778%0.77778%0.783SS**  trans94.195.5155.900000120.1
276D39Very low40.2Very low158 Ų158140 Ų14085%0.84580%0.795SS**  90.8148.6124.9-117.5-31.9000123.4
277M48.2Very low39.2Very low141 Ų141137.1 Ų137.170%0.69579%0.794SS**  trans45.1105.6166.8-60.3-151.374.100122.3
278E36.6Very low38.7Very low170 Ų170137.1 Ų137.179%0.79480%0.802SS**  29.2111119.3-55.3-176.6150.500119.9
279N34.5Very low38.6Very low167 Ų167135.1 Ų135.189%0.89380%0.797SS**  -172.9167.7105.4-148.1-24000111.4
280A33.8Very low38.7Very low96 Ų96133.5 Ų133.579%0.79380%0.802SS**  trans-87.4144.7-175.500000114.6
281G31.1Very low39Very low73 Ų73128.2 Ų128.275%0.75378%0.783SS**  trans-173.9126.8169.500000113.1
282H36.2Very low40.1Very low191 Ų191128.2 Ų128.288%0.88477%0.774SS**PPolyproline II helixtrans-73.4142.4174.8-80.4-101.2000112.2
283P38.2Very low41.1Very low120 Ų120131.2 Ų131.278%0.77977%0.771SS**PPolyproline II helixtrans-95.9124.2143.832.8-26.1000110.2
284S33.7Very low42.2Very low114 Ų114131.3 Ų131.380%0.79777%0.765SS**PPolyproline II helixtrans-75.8161.5168.3-660000111.1
285A34.3Very low43.8Very low89 Ų89127.4 Ų127.474%0.73675%0.75SS**PPolyproline II helixtrans-63.2145.2174.400000112.6
286D35.9Very low45.2Very low158 Ų158127.9 Ų127.985%0.84574%0.736SS**  -175.8106.1122.2-96-22.3000111.8
287T38.9Very low46.6Very low129 Ų129128 Ų12879%0.79173%0.726SS**  trans-164.9127155.9-5.30000110T289T287-T289 PolarHBondContact O-N 3.18Å
288P38.3Very low47.8Very low129 Ų129125.5 Ų125.584%0.83871%0.714SS**  trans-75.6102.4-176.929.4-33.7000110.6A290P288-A290 PolarHBondContact O-N 3.44Å
289T42.3Very low49.4Very low115 Ų115120.6 Ų120.671%0.70670%0.699SS**  trans-61.6123.9174.2-58.50000109.3T287 T291T287-T289 PolarHBondContact O-N 3.18Å; T289-T291 WeakPolarHBondContact CG2-OG1 3.35Å; T289-T291 PolarHBondContact O-N 3.48Å; T289-T291 PolarHBondContact O-OG1 3.13Å
290A43.9Very low50.6Low102 Ų102116 Ų11684%0.84368%0.68SS**  trans-73.569.5170.600000109.5P288 N292P288-A290 PolarHBondContact O-N 3.44Å; A290-N292 PolarHBondContact O-N 3.43Å
291T50.7Low51.8Low66 Ų66115.2 Ų115.241%0.40567%0.669SS.*  trans-64.8111-166.8-56.10000111T289 Y293 Q296T289-T291 WeakPolarHBondContact CG2-OG1 3.35Å; T289-T291 PolarHBondContact O-N 3.48Å; T289-T291 PolarHBondContact O-OG1 3.13Å; T291-Y293 PolarHBondContact O-N 3Å; T291-Y293 VanDerWaalsContact O-N 3.12Å; T291-Q296 HydrophobicContact CG2-CB 3.88Å; T291-Q296 HydrophobicContact CG2-CG 4.47Å
292N61.2Low53.1Low111 Ų111118.5 Ų118.559%0.59467%0.668SS**  trans-63.7112.5171-134-58.7000107.9A290 F294 L295 Q296A290-N292 PolarHBondContact O-N 3.43Å; N292-F294 PolarHBondContact O-N 3.49Å; N292-L295 HydrophobicContact CB-CD1 4.01Å; N292-L295 HydrophobicContact CB-CG 4.25Å; N292-L295 WeakPolarHBondContact O-CB 3.45Å; N292-L295 PolarHBondContact O-N 3.04Å; N292-Q296 PolarHBondContact O-N 3.42Å
293Y67.6Low54Low201 Ų201117.1 Ų117.179%0.78866%0.662SS**Hα-helixtrans-48.3-32.7-174.4-87.8-93.1000113.7T291 Q296 Y297T291-Y293 PolarHBondContact O-N 3Å; T291-Y293 VanDerWaalsContact O-N 3.12Å; Y293-Q296 PolarHBondContact O-N 3.04Å; Y293-Y297 PolarHBondContact O-N 3.23Å
294F64.7Low54.4Low142 Ų142118.3 Ų118.362%0.62366%0.662SS**Hα-helixtrans-63.8-36.9177.3-166.8-99.5000113.7N292 I298N292-F294 PolarHBondContact O-N 3.49Å; F294-I298 HydrophobicContact CD1-CD1 3.93Å; F294-I298 HydrophobicContact CE1-CD1 3.64Å; F294-I298 HydrophobicContact CZ-CD1 4.33Å; F294-I298 WeakPolarHBondContact O-CG1 3.36Å; F294-I298 PolarHBondContact O-N 2.9Å
295L72Confident54.7Low109 Ų109117.3 Ų117.357%0.57166%0.655SS**Hα-helixtrans-71-42.7176.4-67.5172000111N292 Y297 I298 S299N292-L295 HydrophobicContact CB-CD1 4.01Å; N292-L295 HydrophobicContact CB-CG 4.25Å; N292-L295 WeakPolarHBondContact O-CB 3.45Å; N292-L295 PolarHBondContact O-N 3.04Å; L295-Y297 VanDerWaalsContact C-N 3.32Å; L295-Y297 PolarHBondContact O-N 3.3Å; L295-I298 PolarHBondContact O-N 3.4Å; L295-I298 VanDerWaalsContact O-N 3.12Å; L295-S299 PolarHBondContact O-N 2.83Å; L295-S299 PolarHBondContact O-OG 3.42Å
296Q67.8Low55.1Low104 Ų104119.1 Ų119.149%0.48666%0.657SS.*Hα-helixtrans-59-43.9-179.8-168.9169.24.100111.7T291 N292 Y293 I298 S299 S300T291-Q296 HydrophobicContact CG2-CB 3.88Å; T291-Q296 HydrophobicContact CG2-CG 4.47Å; N292-Q296 PolarHBondContact O-N 3.42Å; Y293-Q296 PolarHBondContact O-N 3.04Å; Q296-I298 VanDerWaalsContact C-N 3.32Å; Q296-I298 PolarHBondContact O-N 3.03Å; Q296-S299 PolarHBondContact O-N 2.95Å; Q296-S300 PolarHBondContact O-N 2.92Å; Q296-S300 PolarHBondContact O-OG 3.42Å; Q296-S300 VanDerWaalsContact O-OG 3.05Å
297Y69.7Low55.4Low160 Ų160119.2 Ų119.263%0.62766%0.657SS**Hα-helixtrans-62.7-35.4177-173.3-102.6000113.4Y293 L295 S301Y293-Y297 PolarHBondContact O-N 3.23Å; L295-Y297 VanDerWaalsContact C-N 3.32Å; L295-Y297 PolarHBondContact O-N 3.3Å; Y297-S301 PolarHBondContact O-N 3.32Å
298I72.1Confident55.5Low89 Ų89118.5 Ų118.546%0.45666%0.658SS.*Hα-helixtrans-68.2-45.2176.4-68.2170.5000110.5F294 L295 Q296 S301F294-I298 HydrophobicContact CD1-CD1 3.93Å; F294-I298 HydrophobicContact CE1-CD1 3.64Å; F294-I298 HydrophobicContact CZ-CD1 4.33Å; F294-I298 WeakPolarHBondContact O-CG1 3.36Å; F294-I298 PolarHBondContact O-N 2.9Å; L295-I298 PolarHBondContact O-N 3.4Å; L295-I298 VanDerWaalsContact O-N 3.12Å; Q296-I298 VanDerWaalsContact C-N 3.32Å; Q296-I298 PolarHBondContact O-N 3.03Å; I298-S301 PolarHBondContact O-N 2.98Å
299S70Confident55.2Low67 Ų67117.7 Ų117.747%0.46966%0.662SS.*Hα-helixtrans-62.1-46.4176.2-58.50000112.1L295 Q296 S301 L302L295-S299 PolarHBondContact O-N 2.83Å; L295-S299 PolarHBondContact O-OG 3.42Å; Q296-S299 PolarHBondContact O-N 2.95Å; S299-S301 PolarHBondContact O-N 3.45Å; S299-S301 VanDerWaalsContact O-N 3.11Å; S299-L302 WeakPolarHBondContact O-CB 3.49Å; S299-L302 PolarHBondContact O-N 2.91Å
300S59.3Low55.1Low71 Ų71119.6 Ų119.650%0.49767%0.668SS.*Hα-helixtrans-59.9-23.4178.1-61.20000114Q296Q296-S300 PolarHBondContact O-N 2.92Å; Q296-S300 PolarHBondContact O-OG 3.42Å; Q296-S300 VanDerWaalsContact O-OG 3.05Å
301S59.5Low54.7Low80 Ų80119.2 Ų119.256%0.55966%0.664SS**THydrogen-bonded Turntrans-79.9-16175.3-173.60000113.8Y297 I298 S299Y297-S301 PolarHBondContact O-N 3.32Å; I298-S301 PolarHBondContact O-N 2.98Å; S299-S301 PolarHBondContact O-N 3.45Å; S299-S301 VanDerWaalsContact O-N 3.11Å
302L59.3Low54.5Low141 Ų141120.5 Ų120.574%0.73868%0.676SS**THydrogen-bonded Turntrans-89.4-35.8-173.3-170.460.5000112.3S299 N304S299-L302 WeakPolarHBondContact O-CB 3.49Å; S299-L302 PolarHBondContact O-N 2.91Å; L302-N304 VanDerWaalsContact C-N 3.29Å; L302-N304 PolarHBondContact O-N 3.05Å
303E54.2Low53.6Low162 Ų162120.7 Ų120.776%0.75769%0.687SS**THydrogen-bonded Turntrans-76-13.7-171.9-62.4176.7156.700113.7
304N47.4Very low53.2Low146 Ų146118.2 Ų118.278%0.78169%0.687SS**THydrogen-bonded Turntrans-105.316.2-170-143.4106.5000114.6L302L302-N304 VanDerWaalsContact C-N 3.29Å; L302-N304 PolarHBondContact O-N 3.05Å
305S40.7Very low53.3Low92 Ų92120.1 Ų120.164%0.64370%0.695SS**  trans-106.611.3-169.4-62.70000115.7N307S305-N307 PolarHBondContact O-N 3.28Å
306T41.9Very low53.3Low128 Ų128121.2 Ų121.279%0.78570%0.695SS**SBendtrans-96.435.2-175.747.20000114.4
307N42.6Very low53.9Low159 Ų159119.8 Ų119.885%0.8569%0.694SS**SBendtrans-155151.6169.3-97.7-54.1000112.5S305S305-N307 PolarHBondContact O-N 3.28Å
308S39.4Very low54.2Low115 Ų115120.5 Ų120.580%0.80470%0.7SS**  trans62.298.4176.8-156.10000116.3
309A33.9Very low54.5Low111 Ų111118.1 Ų118.192%0.91770%0.698SS**  trans-87.4105.2166.300000110.1
310D40.2Very low55Low156 Ų156120 Ų12083%0.83470%0.699SS**  trans-147.6161.5164.9-144.2-25.5000111.9S312D310-S312 PolarHBondContact O-N 3.45Å
311A34.9Very low55.9Low93 Ų93120.2 Ų120.277%0.76970%0.695SS**SBendtrans-94.797.1-151.700000115.8
312S46.4Very low56.7Low93 Ų93121.4 Ų121.465%0.6569%0.693SS**  trans-166.7111.414348.90000113D310 N314D310-S312 PolarHBondContact O-N 3.45Å; S312-N314 VanDerWaalsContact C-N 3.34Å; S312-N314 PolarHBondContact O-N 2.9Å
313S42.3Very low57.6Low116 Ų116118.5 Ų118.581%0.81168%0.684SS**  trans-82.372.1-178.266.20000112.7K315S313-K315 VanDerWaalsContact C-N 3.32Å; S313-K315 PolarHBondContact O-N 3.24Å
314N58.4Low58.4Low148 Ų148116.5 Ų116.579%0.79168%0.675SS**  trans-68.983.9176.2-76.1-22.7000111.6S312 F316S312-N314 VanDerWaalsContact C-N 3.34Å; S312-N314 PolarHBondContact O-N 2.9Å; N314-F316 PolarHBondContact O-N 3.5Å
315K66.7Low59.6Low183 Ų183114.9 Ų114.980%0.79666%0.658SS**  trans-55.4125.8171.4-87.3177.9174171.50110S313 V317S313-K315 VanDerWaalsContact C-N 3.32Å; S313-K315 PolarHBondContact O-N 3.24Å; K315-V317 PolarHBondContact O-N 2.95Å; K315-V317 VanDerWaalsContact O-N 3.13Å
316F73.1Confident60.8Low132 Ų132116.1 Ų116.158%0.57966%0.661SS**  trans-58.2116.9169.5-179.7-77.9000109.9N314 F318N314-F316 PolarHBondContact O-N 3.5Å; F316-F318 HydrophobicContact CE1-CB 4.27Å
317V80.1Confident62Low74 Ų74116.7 Ų116.745%0.44866%0.659SS.*  trans-106.6128167.8-179.10000108.5K315 G319 Q320 R325K315-V317 PolarHBondContact O-N 2.95Å; K315-V317 VanDerWaalsContact O-N 3.13Å; V317-G319 PolarHBondContact O-N 3.37Å; V317-Q320 HydrophobicContact CB-CB 3.99Å; V317-Q320 HydrophobicContact CG1-CB 4.37Å; V317-Q320 PolarHBondContact O-N 3Å; V317-R325 PolarHBondContact O-NH2 3.09Å
318F75.1Confident62.3Low174 Ų174113 Ų11376%0.76365%0.646SS**THydrogen-bonded Turntrans-68.8124.4171.9-176.7-96.2000109.1F316F316-F318 HydrophobicContact CE1-CB 4.27Å
319G78.3Confident63Low40 Ų40112.8 Ų112.841%0.41264%0.641SS.*THydrogen-bonded Turntrans102.1-25.7-174.300000115.5V317V317-G319 PolarHBondContact O-N 3.37Å
320Q82Confident63.9Low105 Ų105113.8 Ų113.849%0.49164%0.638SS.*THydrogen-bonded Turntrans-70.7148.6178.8-167.9166.621.600111.6V317 M322 R325V317-Q320 HydrophobicContact CB-CB 3.99Å; V317-Q320 HydrophobicContact CG1-CB 4.37Å; V317-Q320 PolarHBondContact O-N 3Å; Q320-M322 PolarHBondContact O-N 2.83Å; Q320-R325 VanDerWaalsContact O-CZ 3.29Å; Q320-R325 PolarHBondContact O-NE 2.81Å; Q320-R325 PolarHBondContact O-NH2 3.16Å
321N76.7Confident64Low77 Ų77115.6 Ų115.641%0.41264%0.639SS.*THydrogen-bonded Turntrans43.538.3175.4-62.125.4000115.1S323 E324 R325N321-S323 VanDerWaalsContact C-N 3.27Å; N321-S323 PolarHBondContact O-N 3.49Å; N321-E324 HydrophobicContact CB-CB 4.43Å; N321-E324 WeakPolarHBondContact CB-OE2 3.38Å; N321-E324 PolarHBondContact ND2-OE2 2.93Å; N321-E324 PolarHBondContact O-N 3.04Å; N321-R325 WeakPolarHBondContact O-CG 3.47Å; N321-R325 PolarHBondContact O-N 3.31Å; N321-R325 VanDerWaalsContact O-N 3.07Å
322M77.2Confident64.3Low104 Ų104119.1 Ų119.151%0.51264%0.644SS.*Hα-helixtrans-60.9-35.7-179.9-83.4176.8153.300112.5Q320 R325 V326Q320-M322 PolarHBondContact O-N 2.83Å; M322-R325 PolarHBondContact O-N 3.14Å; M322-V326 VanDerWaalsContact O-CB 3.26Å; M322-V326 WeakPolarHBondContact O-CB 3.09Å; M322-V326 VanDerWaalsContact O-CG2 3.22Å; M322-V326 WeakPolarHBondContact O-CG2 3.33Å; M322-V326 PolarHBondContact O-N 3.28Å
323S77.1Confident63.9Low81 Ų81121.7 Ų121.757%0.56665%0.651SS**Hα-helixtrans-56.8-50.5174.8430000112.6N321 L327N321-S323 VanDerWaalsContact C-N 3.27Å; N321-S323 PolarHBondContact O-N 3.49Å; S323-L327 VanDerWaalsContact O-CB 3.31Å; S323-L327 WeakPolarHBondContact O-CB 3.28Å; S323-L327 VanDerWaalsContact O-CG 3.26Å; S323-L327 WeakPolarHBondContact O-CG 3.39Å; S323-L327 PolarHBondContact O-N 2.96Å
324E71.4Confident63.9Low119 Ų119124.3 Ų124.356%0.55665%0.65SS**Hα-helixtrans-66.9-45.6179.8-62.3172.1174.500111.3N321 V326 S328N321-E324 HydrophobicContact CB-CB 4.43Å; N321-E324 WeakPolarHBondContact CB-OE2 3.38Å; N321-E324 PolarHBondContact ND2-OE2 2.93Å; N321-E324 PolarHBondContact O-N 3.04Å; E324-V326 PolarHBondContact O-N 3.39Å; E324-S328 WeakPolarHBondContact O-CB 3.45Å; E324-S328 PolarHBondContact O-N 3.13Å
325R72.6Confident63.2Low113 Ų113123 Ų12343%0.42665%0.647SS.*Hα-helixtrans-73.7-21.3-174.7-65.2-165.7-73.7-177.62.1114.5V317 Q320 N321 M322V317-R325 PolarHBondContact O-NH2 3.09Å; Q320-R325 VanDerWaalsContact O-CZ 3.29Å; Q320-R325 PolarHBondContact O-NE 2.81Å; Q320-R325 PolarHBondContact O-NH2 3.16Å; N321-R325 WeakPolarHBondContact O-CG 3.47Å; N321-R325 PolarHBondContact O-N 3.31Å; N321-R325 VanDerWaalsContact O-N 3.07Å; M322-R325 PolarHBondContact O-N 3.14Å
326V67.1Low62.1Low118 Ų118119 Ų11972%0.71564%0.642SS**Hα-helixtrans-96.4-28178.4175.40000112.4M322 E324M322-V326 VanDerWaalsContact O-CB 3.26Å; M322-V326 WeakPolarHBondContact O-CB 3.09Å; M322-V326 VanDerWaalsContact O-CG2 3.22Å; M322-V326 WeakPolarHBondContact O-CG2 3.33Å; M322-V326 PolarHBondContact O-N 3.28Å; E324-V326 PolarHBondContact O-N 3.39Å
327L65.9Low60.5Low139 Ų139117.8 Ų117.873%0.72865%0.65SS**Hα-helixtrans-95.4-8.5-176.1-59.9176.4000114.6S323S323-L327 VanDerWaalsContact O-CB 3.31Å; S323-L327 WeakPolarHBondContact O-CB 3.28Å; S323-L327 VanDerWaalsContact O-CG 3.26Å; S323-L327 WeakPolarHBondContact O-CG 3.39Å; S323-L327 PolarHBondContact O-N 2.96Å
328S49.1Very low58.6Low82 Ų82122 Ų12257%0.57367%0.67SS**  trans-123104.5179.7-630000112.4E324E324-S328 WeakPolarHBondContact O-CB 3.45Å; E324-S328 PolarHBondContact O-N 3.13Å
329P54.8Low57.1Low110 Ų110118.2 Ų118.271%0.71467%0.671SS**  trans-60.2137166.7-21.533.5000110.6K331P329-K331 PolarHBondContact O-N 3.08Å; P329-K331 VanDerWaalsContact O-N 3.11Å
330P52.5Low55.4Low132 Ų132123 Ų12386%0.85769%0.687SS**  trans-62.6115.2177.8-22.233.4000111.3L332P330-L332 PolarHBondContact O-N 2.9Å
331K42.1Very low53.7Low194 Ų194127.1 Ų127.184%0.84370%0.698SS**  trans-75.4101.9168.4-71.6-172.1176.9-178.50109P329 N333P329-K331 PolarHBondContact O-N 3.08Å; P329-K331 VanDerWaalsContact O-N 3.11Å; K331-N333 PolarHBondContact O-N 2.89Å
332L42.3Very low52.1Low167 Ų167129.3 Ų129.387%0.87471%0.706SS**  trans-57.6126160.8-110.4170.2000108.2P330P330-L332 PolarHBondContact O-N 2.9Å
333N36.5Very low50.5Low148 Ų148130.9 Ų130.979%0.79172%0.716SS**  trans-134.272.1-169.5-165.586.3000110.5K331K331-N333 PolarHBondContact O-N 2.89Å
334E43.6Very low48.7Very low170 Ų170131.3 Ų131.379%0.79473%0.725SS**  trans-85.6122173.1-71.5-153116.100112
335V43.7Very low47.1Very low121 Ų121130 Ų13073%0.73374%0.735SS**  57.5117.3129.5178.50000119.3
336S42.5Very low45.6Very low99 Ų99129.4 Ų129.469%0.69275%0.753SS**  trans108.4105.9155.3-55.90000119.2
337S40.5Very low44.6Very low107 Ų107132.4 Ų132.475%0.74876%0.76SS**  79.3115124.8-51.50000121.2
338D39.5Very low43.3Very low162 Ų162131.8 Ų131.887%0.86677%0.767SS**  trans-2.9131.4149.9-56.5-87.2000120.2
339A44.2Very low42.8Very low95 Ų95131 Ų13179%0.78577%0.772SS**  -174.5135.4101.900000115.1
340N42.5Very low42.1Very low140 Ų140131.3 Ų131.375%0.74978%0.777SS**  trans66.9109.5140.3-150.859.5000122
341R45.2Very low41.5Very low192 Ų192133.5 Ų133.573%0.72578%0.775SS**  33.9146.8116.9-64.2-178.287.6161.82.9119.8
342E43.4Very low41.3Very low123 Ų123129.7 Ų129.758%0.57577%0.773SS**  cis-177170.62.8162.2176108.300110.1
343N43.2Very low41.1Very low136 Ų136126.6 Ų126.673%0.72777%0.765SS**  trans72.8126.8179.3-58.3-48.5000115.3
344A39.4Very low41.3Very low91 Ų91124.5 Ų124.575%0.75276%0.763SS**  cis77.8146.236.400000114.4
345A38.7Very low41.1Very low92 Ų92124.7 Ų124.776%0.7676%0.764SS**  cis-176.3146.4-25.700000107.8
346A41.8Very low40.8Very low99 Ų99126.8 Ų126.882%0.81877%0.765SS**  trans63.8164.7174.900000115
347E44.4Very low41.1Very low182 Ų182126.4 Ų126.485%0.8577%0.768SS**  cis-134.2176.72.2-74.9-169.6129.500111.3
348S39.4Very low40.7Very low125 Ų125127.4 Ų127.487%0.87477%0.77SS**  trans34.4139.3143.1-151.20000121.3
349G38.6Very low41.3Very low66 Ų66125.3 Ų125.368%0.6877%0.765SS**  cis178.4-156.61100000111.8
350S39.9Very low41.7Very low116 Ų116129.1 Ų129.181%0.81177%0.767SS**  trans-60.1165.9-177.9-42.10000113.6
351E40.3Very low42.5Very low178 Ų178132.4 Ų132.483%0.83277%0.774SS**  cis-167159.52954.8-159.161.700115.3
352S37.7Very low43.3Very low115 Ų115129.6 Ų129.680%0.80477%0.769SS**  trans67.9141.3145-147.90000124.5
353S39Very low45.1Very low101 Ų101126.9 Ų126.971%0.70676%0.764SS**  trans83.497.5148.7-137.50000122.1
354S39.8Very low47Very low105 Ų105128 Ų12873%0.73477%0.769SS**  48.7113.8129.5640000121.2
355Q39.4Very low49.2Very low174 Ų174127.1 Ų127.181%0.81376%0.762SS**  -174.4156.3103.7-167.7166.8-57.600111.6
356E37.5Very low51.4Low164 Ų164128.6 Ų128.677%0.76675%0.753SS**  trans86145154.6-133.9149.2123.400121.8
357A48.5Very low53.3Low91 Ų91126.1 Ų126.175%0.75273%0.729SS**  trans53.8104.8165.500000120.3P359A357-P359 WeakPolarHBondContact O-CD 3.48Å
358T32.9Very low55.3Low129 Ų129120 Ų12079%0.79171%0.71SS**  trans-81130168.446.10000113.7
359P52.3Low57.5Low117 Ų117116.7 Ų116.776%0.7669%0.691SS**  trans-102.9103.9149.733-23.8000109.2A357A357-P359 WeakPolarHBondContact O-CD 3.48Å
360E51.1Low59.7Low176 Ų176116 Ų11682%0.82268%0.678SS**  trans-66.4139.3172.3-64.7-166.1152.400110.1E362E360-E362 PolarHBondContact O-N 3.27Å
361K60.6Low61.8Low209 Ų209118.6 Ų118.691%0.90967%0.671SS**  trans-82.884.8-174.8-70.4175.4-179.6171.30110S363K361-S363 PolarHBondContact O-N 3.3Å
362E62.4Low63.6Low132 Ų132114.7 Ų114.762%0.61766%0.66SS**  trans-46.1133.1161.5-71.3-171.4-179.500109.6E360 S367E360-E362 PolarHBondContact O-N 3.27Å; E362-S367 PolarHBondContact OE2-OG 3.29Å
363S81.1Confident65.8Low66 Ų66116.8 Ų116.846%0.46265%0.654SS.*  trans-67.9145.5178.1179.20000110.3K361 A365 E366 S367K361-S363 PolarHBondContact O-N 3.3Å; S363-A365 PolarHBondContact O-N 3.49Å; S363-A365 VanDerWaalsContact O-N 3.09Å; S363-A365 PolarHBondContact OG-N 2.95Å; S363-E366 WeakPolarHBondContact O-CA 3.39Å; S363-E366 WeakPolarHBondContact O-CB 3.22Å; S363-E366 PolarHBondContact O-N 2.74Å; S363-S367 PolarHBondContact O-N 3.31Å; S363-S367 PolarHBondContact O-OG 2.88Å
364L82.6Confident67.5Low161 Ų161115.1 Ų115.184%0.84365%0.647SS**Hα-helixtrans-54-31.6171.5-75.6172.8000112.3E366 A368L364-E366 VanDerWaalsContact C-N 3.35Å; L364-A368 WeakPolarHBondContact O-CB 3.48Å; L364-A368 PolarHBondContact O-N 3.25Å; L364-A368 VanDerWaalsContact O-N 3.08Å
365A85.5Confident69.1Low71 Ų71113.3 Ų113.359%0.58763%0.632SS**Hα-helixtrans-69-33174.100000112.7S363 A369S363-A365 PolarHBondContact O-N 3.49Å; S363-A365 VanDerWaalsContact O-N 3.09Å; S363-A365 PolarHBondContact OG-N 2.95Å; A365-A369 VanDerWaalsContact O-CB 3.29Å; A365-A369 WeakPolarHBondContact O-CB 3.19Å; A365-A369 PolarHBondContact O-N 3.37Å
366E85.6Confident70.4Confident123 Ų123107.7 Ų107.758%0.57562%0.615SS**Hα-helixtrans-80.1-46.2-178.8-174.3149.5-140.300111.5S363 L364 A368 A369 A370S363-E366 WeakPolarHBondContact O-CA 3.39Å; S363-E366 WeakPolarHBondContact O-CB 3.22Å; S363-E366 PolarHBondContact O-N 2.74Å; L364-E366 VanDerWaalsContact C-N 3.35Å; E366-A368 VanDerWaalsContact C-N 3.27Å; E366-A368 PolarHBondContact O-N 2.86Å; E366-A369 CarbonylContact O-C 3.51Å; E366-A369 PolarHBondContact O-N 3.45Å; E366-A369 VanDerWaalsContact O-N 3.15Å; E366-A370 WeakPolarHBondContact O-CB 3.16Å; E366-A370 PolarHBondContact O-N 2.85Å
367S81.3Confident71.5Confident47 Ų47110.2 Ų110.233%0.32962%0.617SS.*Hα-helixtrans-63.9-33.5172.6-46.90000111.6E362 S363 Y371E362-S367 PolarHBondContact OE2-OG 3.29Å; S363-S367 PolarHBondContact O-N 3.31Å; S363-S367 PolarHBondContact O-OG 2.88Å; S367-Y371 WeakPolarHBondContact O-CB 3.43Å; S367-Y371 PolarHBondContact O-N 2.91Å
368A85Confident72.3Confident54 Ų54115.3 Ų115.345%0.44662%0.622SS.*Hα-helixtrans-65.8-45.8170.400000112.2L364 E366 A370 Y371 T372L364-A368 WeakPolarHBondContact O-CB 3.48Å; L364-A368 PolarHBondContact O-N 3.25Å; L364-A368 VanDerWaalsContact O-N 3.08Å; E366-A368 VanDerWaalsContact C-N 3.27Å; E366-A368 PolarHBondContact O-N 2.86Å; A368-A370 VanDerWaalsContact C-N 3.32Å; A368-A370 PolarHBondContact O-N 3.32Å; A368-Y371 PolarHBondContact O-N 3.13Å; A368-T372 PolarHBondContact O-N 2.88Å; A368-T372 PolarHBondContact O-OG1 3.05Å
369A86.8Confident73.6Confident56 Ų56113.6 Ų113.646%0.46362%0.615SS.*Hα-helixtrans-62.1-38.617500000112.1A365 E366 T372 K373A365-A369 VanDerWaalsContact O-CB 3.29Å; A365-A369 WeakPolarHBondContact O-CB 3.19Å; A365-A369 PolarHBondContact O-N 3.37Å; E366-A369 CarbonylContact O-C 3.51Å; E366-A369 PolarHBondContact O-N 3.45Å; E366-A369 VanDerWaalsContact O-N 3.15Å; A369-T372 PolarHBondContact O-N 2.59Å; A369-K373 WeakPolarHBondContact O-CB 3.49Å; A369-K373 PolarHBondContact O-N 2.8Å
370A84.5Confident74.5Confident51 Ų51115.7 Ų115.742%0.42162%0.619SS.*Hα-helixtrans-63.6-45.5174.800000111.4E366 A368 K373 A374E366-A370 WeakPolarHBondContact O-CB 3.16Å; E366-A370 PolarHBondContact O-N 2.85Å; A368-A370 VanDerWaalsContact C-N 3.32Å; A368-A370 PolarHBondContact O-N 3.32Å; A370-K373 PolarHBondContact O-N 2.78Å; A370-A374 VanDerWaalsContact O-CB 3.26Å; A370-A374 WeakPolarHBondContact O-CB 3.47Å; A370-A374 PolarHBondContact O-N 3.5Å
371Y83.6Confident75.7Confident170 Ų170114.4 Ų114.467%0.66762%0.617SS**Hα-helixtrans-61.8-43.7174.9-172.5-90.8000112.2S367 A368 A374 T375S367-Y371 WeakPolarHBondContact O-CB 3.43Å; S367-Y371 PolarHBondContact O-N 2.91Å; A368-Y371 PolarHBondContact O-N 3.13Å; Y371-A374 PolarHBondContact O-N 2.56Å; Y371-T375 WeakPolarHBondContact O-CB 3.32Å; Y371-T375 PolarHBondContact O-N 3.35Å; Y371-T375 PolarHBondContact O-OG1 3.12Å
372T79.4Confident76.7Confident96 Ų96113.1 Ų113.159%0.58961%0.614SS**Hα-helixtrans-59.9-48.5173.7-56.20000111.3A368 A369 A374 T375 A376A368-T372 PolarHBondContact O-N 2.88Å; A368-T372 PolarHBondContact O-OG1 3.05Å; A369-T372 PolarHBondContact O-N 2.59Å; T372-A374 PolarHBondContact O-N 2.85Å; T372-T375 PolarHBondContact O-N 3.31Å; T372-A376 WeakPolarHBondContact O-CB 3.47Å; T372-A376 PolarHBondContact O-N 2.96Å
373K82.1Confident77.7Confident159 Ų159115.4 Ų115.469%0.69162%0.622SS**Hα-helixtrans-65-37.5-179.7-173.9178.4-177.8-178.80112.7A369 A370A369-K373 WeakPolarHBondContact O-CB 3.49Å; A369-K373 PolarHBondContact O-N 2.8Å; A370-K373 PolarHBondContact O-N 2.78Å
374A76.3Confident77.9Confident66 Ų66117.9 Ų117.955%0.54563%0.634SS.*Hα-helixtrans-69.2-44.5175.800000111.9A370 Y371 T372A370-A374 VanDerWaalsContact O-CB 3.26Å; A370-A374 WeakPolarHBondContact O-CB 3.47Å; A370-A374 PolarHBondContact O-N 3.5Å; Y371-A374 PolarHBondContact O-N 2.56Å; T372-A374 PolarHBondContact O-N 2.85Å
375T73Confident78Confident68 Ų68117.7 Ų117.742%0.41763%0.628SS.*Hα-helixtrans-73.7-34.9-178.4-53.20000111.9Y371 T372 R377 K378Y371-T375 WeakPolarHBondContact O-CB 3.32Å; Y371-T375 PolarHBondContact O-N 3.35Å; Y371-T375 PolarHBondContact O-OG1 3.12Å; T372-T375 PolarHBondContact O-N 3.31Å; T375-R377 PolarHBondContact O-N 2.94Å; T375-R377 VanDerWaalsContact O-N 3.16Å; T375-K378 PolarHBondContact O-N 3.35Å
376A65.9Low77.9Confident55 Ų55120.5 Ų120.546%0.45564%0.638SS.*Hα-helixtrans-55.7-32176.900000113.5T372 K378 C379T372-A376 WeakPolarHBondContact O-CB 3.47Å; T372-A376 PolarHBondContact O-N 2.96Å; A376-K378 PolarHBondContact O-N 2.95Å; A376-C379 CarbonylContact O-C 3.52Å; A376-C379 PolarHBondContact O-N 2.86Å
377R61.4Low77.7Confident218 Ų218120.9 Ų120.982%0.82364%0.643SS**THydrogen-bonded Turntrans-62.8-19.4176-75-175.1170.3177.1-3.1114.1T375T375-R377 PolarHBondContact O-N 2.94Å; T375-R377 VanDerWaalsContact O-N 3.16Å
378K65.3Low77.7Confident197 Ų197121.6 Ų121.686%0.85765%0.645SS**THydrogen-bonded Turntrans-89.4-4.1172.9-65.5-175.4178.6179.40113.5T375 A376T375-K378 PolarHBondContact O-N 3.35Å; A376-K378 PolarHBondContact O-N 2.95Å
379C60.6Low77.6Confident93 Ų93121.6 Ų121.663%0.62865%0.651SS**  trans-125.434.5-177.7-155.20000112.1A376 L381A376-C379 CarbonylContact O-C 3.52Å; A376-C379 PolarHBondContact O-N 2.86Å; C379-L381 PolarHBondContact O-N 2.84Å; C379-L381 VanDerWaalsContact O-N 3.14Å
380L70.9Confident77.5Confident162 Ų162119.5 Ų119.585%0.84863%0.631SS**  trans-80.887.8170.2-173.268.8000109.2
381L75.5Confident77.3Confident149 Ų149122.9 Ų122.978%0.7864%0.638SS**  trans-75.1142170.1-63.3177.3000110.3C379C379-L381 PolarHBondContact O-N 2.84Å; C379-L381 VanDerWaalsContact O-N 3.14Å
382E81.1Confident77.4Confident182 Ų182119.3 Ų119.385%0.8564%0.644SS**  trans-65.8136.2176.2-174.1170.2-166.600110.6V384E382-V384 VanDerWaalsContact C-N 3.34Å; E382-V384 PolarHBondContact O-N 3.17Å
383K83.3Confident78.1Confident179 Ų179116.4 Ų116.478%0.77862%0.624SS**  trans-76.786.1179-174.3-155.3169.2-158.80109.8E385K383-E385 PolarHBondContact O-N 2.6Å
384V86.1Confident78.7Confident118 Ų118112.8 Ų112.872%0.71562%0.619SS**  trans-58.4132.5170.8-177.20000110E382E382-V384 VanDerWaalsContact C-N 3.34Å; E382-V384 PolarHBondContact O-N 3.17Å
385E84.3Confident79.6Confident157 Ų157113 Ų11373%0.73461%0.611SS**  trans-79.5128.9175.6-58.3-164.1138.400110.5K383 I387K383-E385 PolarHBondContact O-N 2.6Å; E385-I387 PolarHBondContact O-N 2.8Å
386V83.2Confident80.7Confident130 Ų130112.7 Ų112.779%0.78861%0.609SS**  trans-91.983.6-172.9-175.70000109.8T388V386-T388 PolarHBondContact O-N 2.87Å
387I82.1Confident82.2Confident132 Ų132111.5 Ų111.568%0.67759%0.594SS**  trans-66127.2171.2-63.4172000108.9E385E385-I387 PolarHBondContact O-N 2.8Å
388T82.4Confident83.9Confident61 Ų61105.5 Ų105.537%0.37458%0.576SS.*  trans-93.9-17.3-172.659.40000114.1V386 E390 E391V386-T388 PolarHBondContact O-N 2.87Å; T388-E390 PolarHBondContact O-N 3.29Å; T388-E390 PolarHBondContact OG1-N 2.91Å; T388-E391 WeakPolarHBondContact CB-OE1 3.38Å; T388-E391 PolarHBondContact N-OE1 3.04Å; T388-E391 PolarHBondContact OG1-OE1 2.89Å
389G83Confident85.5Confident55 Ų5596.5 Ų96.557%0.56754%0.537SS*.SBendtrans71.515.6-169.200000113.7R437G389-R437 PolarHBondContact O-NH2 3.37Å
390E83.1Confident87.3Confident11 Ų1196.5 Ų96.55%0.05153%0.528CS..  trans-110.2-9175.3-61170.6-139.200112.1T388 A392 E393 R422 R441T388-E390 PolarHBondContact O-N 3.29Å; T388-E390 PolarHBondContact OG1-N 2.91Å; E390-A392 PolarHBondContact O-N 2.91Å; E390-E393 PolarHBondContact O-N 2.9Å; E390-R422 WeakPolarHBondContact OE2-CD 3.39Å; E390-R422 IonicContact OE2-CZ 2.83Å; E390-R422 IonicContact OE2-NE 3.29Å; E390-R422 IonicContact OE2-NH1 3.22Å; E390-R422 PolarHBondContact OE2-NH1 3.17Å; E390-R441 IonicContact OE1-CZ 3.22Å; E390-R441 IonicContact OE1-NE 2.81Å; E390-R441 PolarHBondContact OE1-NE 2.75Å; E390-R441 IonicContact OE1-NH2 2.72Å; E390-R441 PolarHBondContact OE1-NH2 2.7Å
391E81.9Confident88.6Confident122 Ų12289.1 Ų89.157%0.5749%0.489SS*.THydrogen-bonded Turntrans-71.2-19.3-169.4-74.3130.1-115.400116T388 E393T388-E391 WeakPolarHBondContact CB-OE1 3.38Å; T388-E391 PolarHBondContact N-OE1 3.04Å; T388-E391 PolarHBondContact OG1-OE1 2.89Å; E391-E393 VanDerWaalsContact C-N 3.28Å
392A85.6Confident89.7Confident95 Ų9584.3 Ų84.379%0.78546%0.462SS*.THydrogen-bonded Turntrans-86.24.2175.500000113.3E390E390-A392 PolarHBondContact O-N 2.91Å
393E93Very high90.5Very high36 Ų3675.6 Ų75.617%0.16842%0.421CS..SBendtrans-116.5147.6-174.4-54.4-178.4138.300112.4E390 E391 N424 M426 R437E390-E393 PolarHBondContact O-N 2.9Å; E391-E393 VanDerWaalsContact C-N 3.28Å; E393-N424 HydrophobicContact CB-CB 3.99Å; E393-N424 WeakPolarHBondContact OE2-CB 3.3Å; E393-N424 PolarHBondContact OE2-ND2 3.23Å; E393-M426 HydrophobicContact CG-CB 4.24Å; E393-R437 IonicContact OE1-CZ 2.71Å; E393-R437 VanDerWaalsContact OE1-CZ 3.28Å; E393-R437 IonicContact OE1-NE 2.85Å; E393-R437 PolarHBondContact OE1-NE 2.95Å; E393-R437 IonicContact OE1-NH2 3.98Å; E393-R437 PolarHBondContact OE1-NH2 3.37Å; E393-R437 IonicContact OE2-CZ 3.22Å; E393-R437 VanDerWaalsContact OE2-CZ 3.22Å; E393-R437 IonicContact OE2-NE 2.85Å; E393-R437 PolarHBondContact OE2-NE 2.89Å; E393-R437 IonicContact OE2-NH2 2.73Å; E393-R437 PolarHBondContact OE2-NH2 3.2Å
394S94.2Very high91.3Very high83 Ų8369 Ų6958%0.5839%0.393SS*.EExtended strand (participates in β ladder)trans-82.3117.9172.6-167.20000110.2V396 N424 D425S394-V396 PolarHBondContact O-N 2.7Å; S394-N424 CarbonylContact O-C 3.59Å; S394-N424 WeakPolarHBondContact O-CA 3.39Å; S394-D425 PolarHBondContact N-O 2.87Å; S394-D425 PolarHBondContact O-N 2.95Å
395N95.6Very high91.8Very high70 Ų7064.3 Ų64.337%0.37436%0.364SS..EExtended strand (participates in β ladder)trans-75.5112.7171.1-178.3-112.2000110.4L397 R422 L423 N424N395-L397 PolarHBondContact ND2-O 2.98Å; N395-R422 WeakPolarHBondContact ND2-CB 3.25Å; N395-L423 PolarHBondContact ND2-O 2.65Å; N395-N424 PolarHBondContact ND2-OD1 2.86Å
396V96.4Very high92.5Very high62 Ų6260 Ų6038%0.37634%0.343SS..EExtended strand (participates in β ladder)trans-79.3-43.5-178.7-1760000111S394 L423 D425S394-V396 PolarHBondContact O-N 2.7Å; V396-L423 HydrophobicContact CB-CD2 4.43Å; V396-L423 HydrophobicContact CB-CG 4.22Å; V396-L423 WeakPolarHBondContact CB-O 3.45Å; V396-L423 HydrophobicContact CG1-CD2 4.42Å; V396-L423 HydrophobicContact CG2-CG 4.38Å; V396-L423 PolarHBondContact N-O 2.91Å; V396-D425 HydrophobicContact CG2-CB 3.99Å; V396-D425 WeakPolarHBondContact CG2-OD2 3.32Å
397L96.8Very high93.1Very high29 Ų2956 Ų5615%0.15232%0.318CS..EExtended strand (participates in β ladder)trans-152.1142.4-172.2-179.9148000109.3N395 M399 R422 L423 Q494 L495N395-L397 PolarHBondContact ND2-O 2.98Å; L397-M399 HydrophobicContact CD2-CB 4.15Å; L397-M399 HydrophobicContact CD2-CG 3.75Å; L397-M399 HydrophobicContact CD2-SD 3.66Å; L397-R422 WeakPolarHBondContact O-CA 3.45Å; L397-L423 HydrophobicContact CB-CB 4.38Å; L397-L423 PolarHBondContact N-O 3.46Å; L397-L423 PolarHBondContact O-N 2.8Å; L397-Q494 HydrophobicContact CD1-CB 3.65Å; L397-L495 HydrophobicContact CD2-CD1 4.32Å
398Q97.7Very high93.8Very high93 Ų9358 Ų5844%0.43532%0.321SS..EExtended strand (participates in β ladder)trans-139.5127.2176.6-173.4179.4-109.400109.3L420 L421 R422Q398-L420 HydrophobicContact CG-CD1 3.68Å; Q398-L420 HydrophobicContact CG-CD2 3.95Å; Q398-L420 HydrophobicContact CG-CG 3.65Å; Q398-L421 WeakPolarHBondContact CA-O 3.42Å; Q398-R422 HydrophobicContact CB-CG 4.48Å; Q398-R422 HydrophobicContact CG-CG 4.05Å
399M98.4Very high94.4Very high8 Ų861.5 Ų61.54%0.03934%0.343CS..EExtended strand (participates in β ladder)trans-145.5150.3-173.458.8-176.2-84.900112.4L397 C401 L421 I485 A487 D491 L495L397-M399 HydrophobicContact CD2-CB 4.15Å; L397-M399 HydrophobicContact CD2-CG 3.75Å; L397-M399 HydrophobicContact CD2-SD 3.66Å; M399-C401 HydrophobicContact CE-CB 4.03Å; M399-L421 HydrophobicContact CG-CB 4.18Å; M399-L421 HydrophobicContact CG-CD2 4.35Å; M399-L421 PolarHBondContact N-O 2.88Å; M399-L421 PolarHBondContact O-N 2.93Å; M399-L421 HydrophobicContact SD-CD2 4.31Å; M399-I485 HydrophobicContact CE-CG2 4.49Å; M399-A487 HydrophobicContact CE-CB 3.23Å; M399-D491 HydrophobicContact CB-CB 4.08Å; M399-D491 HydrophobicContact CE-CB 3.6Å; M399-D491 HydrophobicContact SD-CB 3.98Å; M399-L495 HydrophobicContact CE-CD2 4.03Å; M399-L495 HydrophobicContact SD-CB 3.72Å; M399-L495 HydrophobicContact SD-CD1 4.39Å; M399-L495 HydrophobicContact SD-CD2 3.68Å; M399-L495 HydrophobicContact SD-CG 4.13Å
400Q98.3Very high95.1Very high93 Ų9362 Ų6244%0.43534%0.337SS..EExtended strand (participates in β ladder)trans-86.1124.2172.2-72.6-7682.400109.6G419 L420Q400-G419 PolarHBondContact OE1-O 2.98Å; Q400-L420 HydrophobicContact CG-CD1 4.17Å; Q400-L420 VanDerWaalsContact OE1-CA 3.31Å; Q400-L420 VanDerWaalsContact OE1-CD1 3.24Å
401C98.7Very high95.8Very high6 Ų667.4 Ų67.44%0.04136%0.363CS..EExtended strand (participates in β ladder)trans-146.3173.4-179.7680000112.8M399 R418 G419 L421 M440 I485 S486 A487M399-C401 HydrophobicContact CE-CB 4.03Å; C401-R418 WeakPolarHBondContact O-CA 3.44Å; C401-G419 PolarHBondContact N-O 2.94Å; C401-G419 PolarHBondContact O-N 2.67Å; C401-L421 WeakPolarHBondContact SG-CB 3.41Å; C401-M440 VanDerWaalsContact O-CE 3.32Å; C401-M440 WeakPolarHBondContact O-CE 3.34Å; C401-M440 WeakPolarHBondContact SG-CE 3.31Å; C401-I485 HydrophobicContact CB-CG2 4.03Å; C401-S486 CarbonylContact C-O 3.58Å; C401-S486 WeakPolarHBondContact CA-O 3.45Å; C401-S486 VanDerWaalsContact CB-O 3.26Å; C401-S486 WeakPolarHBondContact CB-O 3.42Å; C401-A487 HydrophobicContact CB-CB 3.94Å
402K98.7Very high96.5Very high48 Ų4863.8 Ų63.821%0.20935%0.351CS..EExtended strand (participates in β ladder)trans-115.8128.4170.6-179.7169171.4143.20108.9F404 E415 S486K402-F404 HydrophobicContact CB-CE2 4.39Å; K402-F404 HydrophobicContact CD-CE1 4.39Å; K402-F404 HydrophobicContact CD-CE2 4.02Å; K402-F404 HydrophobicContact CD-CZ 3.72Å; K402-F404 VanDerWaalsContact CE-CE1 3.48Å; K402-F404 HydrophobicContact CG-CD2 4.36Å; K402-F404 HydrophobicContact CG-CE2 3.77Å; K402-F404 HydrophobicContact CG-CZ 3.97Å; K402-E415 WeakPolarHBondContact CE-OE1 3.46Å; K402-E415 WeakPolarHBondContact CE-OE2 3.31Å; K402-E415 IonicContact NZ-OE1 3.17Å; K402-E415 PolarHBondContact NZ-OE1 3.46Å; K402-E415 IonicContact NZ-OE2 3.38Å; K402-E415 PolarHBondContact NZ-OE2 3.31Å; K402-S486 PolarHBondContact N-O 3.43Å; K402-S486 PolarHBondContact O-N 3.4Å
403L98.7Very high97.2Very high0 Ų063.7 Ų63.70%033%0.331CS..EExtended strand (participates in β ladder)trans-103.1133.1179.7-176.468.4000109.8R416 G417 M440 I449 L450 F483 I485L403-R416 HydrophobicContact CB-CB 4.31Å; L403-R416 HydrophobicContact CD2-CB 4.07Å; L403-R416 HydrophobicContact CD2-CG 3.97Å; L403-R416 HydrophobicContact CG-CB 4.02Å; L403-R416 HydrophobicContact CG-CG 4.46Å; L403-R416 PolarHBondContact O-N 3.27Å; L403-G417 PolarHBondContact N-O 2.92Å; L403-G417 PolarHBondContact O-N 2.95Å; L403-M440 HydrophobicContact CB-CE 4.17Å; L403-M440 HydrophobicContact CB-SD 3.64Å; L403-M440 HydrophobicContact CD2-SD 4.05Å; L403-M440 HydrophobicContact CG-SD 4.36Å; L403-I449 HydrophobicContact CB-CD1 4.49Å; L403-I449 HydrophobicContact CD2-CD1 4.26Å; L403-I449 HydrophobicContact CD2-CG1 4.45Å; L403-L450 HydrophobicContact CD1-CD2 4.48Å; L403-L450 HydrophobicContact CD2-CB 3.89Å; L403-L450 HydrophobicContact CD2-CD2 4.46Å; L403-F483 HydrophobicContact CD1-CB 4.04Å; L403-F483 HydrophobicContact CD1-CD1 3.9Å; L403-F483 HydrophobicContact CD1-CG 4.37Å; L403-F483 HydrophobicContact CD2-CD1 4.24Å; L403-F483 HydrophobicContact CD2-CE1 4.49Å; L403-F483 HydrophobicContact CG-CD1 4.12Å; L403-I485 HydrophobicContact CD1-CG1 3.91Å
404F98.6Very high97.4Very high40 Ų4065.1 Ų65.118%0.17534%0.342CS..EExtended strand (participates in β ladder)trans-120.9153.8168.8-50.9-106.5000109.5K402 W413 V414 E415 F483 L484K402-F404 HydrophobicContact CB-CE2 4.39Å; K402-F404 HydrophobicContact CD-CE1 4.39Å; K402-F404 HydrophobicContact CD-CE2 4.02Å; K402-F404 HydrophobicContact CD-CZ 3.72Å; K402-F404 VanDerWaalsContact CE-CE1 3.48Å; K402-F404 HydrophobicContact CG-CD2 4.36Å; K402-F404 HydrophobicContact CG-CE2 3.77Å; K402-F404 HydrophobicContact CG-CZ 3.97Å; F404-W413 HydrophobicContact CB-CB 4.17Å; F404-W413 HydrophobicContact CB-CE3 4.07Å; F404-W413 HydrophobicContact CD1-CB 4.16Å; F404-W413 HydrophobicContact CG-CB 4.41Å; F404-V414 CarbonylContact C-O 3.56Å; F404-V414 WeakPolarHBondContact CA-O 3.36Å; F404-V414 WeakPolarHBondContact CB-O 3.23Å; F404-E415 HydrophobicContact CD1-CB 4.29Å; F404-E415 HydrophobicContact CE1-CB 4.5Å; F404-F483 CarbonylContact O-C 3.55Å; F404-F483 VanDerWaalsContact O-CA 3.24Å; F404-F483 WeakPolarHBondContact O-CA 3.45Å; F404-F483 WeakPolarHBondContact O-CB 3.44Å; F404-F483 WeakPolarHBondContact O-CD1 3.11Å; F404-L484 HydrophobicContact CB-CB 4.24Å; F404-L484 HydrophobicContact CD2-CB 4.36Å; F404-L484 HydrophobicContact CD2-CD2 4.35Å; F404-L484 PolarHBondContact N-O 3.46Å; F404-L484 PolarHBondContact O-N 3.44Å
405V98.1Very high97.6Very high20 Ų2066 Ų6612%0.12134%0.336CS..EExtended strand (participates in β ladder)trans-114.6143167.365.90000108.6D407 V414 K481 F483V405-D407 PolarHBondContact O-N 2.85Å; V405-V414 HydrophobicContact CG1-CB 4.24Å; V405-V414 PolarHBondContact N-O 3.26Å; V405-V414 PolarHBondContact O-N 3.19Å; V405-K481 HydrophobicContact CG2-CB 3.97Å; V405-K481 HydrophobicContact CG2-CD 3.81Å; V405-F483 HydrophobicContact CB-CD1 3.95Å; V405-F483 HydrophobicContact CB-CE1 3.93Å; V405-F483 HydrophobicContact CG2-CD1 4.12Å; V405-F483 HydrophobicContact CG2-CE1 3.9Å; V405-F483 HydrophobicContact CG2-CZ 4.17Å
406F98.2Very high97.6Very high65 Ų6564.2 Ų64.229%0.28532%0.324SS..EExtended strand (participates in β ladder)trans-79.9114.3172.4-172.1-102.5000109.2Q411 W413 V482F406-Q411 WeakPolarHBondContact CE2-O 3.39Å; F406-Q411 HydrophobicContact CZ-CB 4.28Å; F406-W413 HydrophobicContact CB-CE3 3.95Å; F406-W413 HydrophobicContact CB-CH2 4.07Å; F406-W413 HydrophobicContact CB-CZ3 3.65Å; F406-W413 HydrophobicContact CD2-CD2 4.2Å; F406-W413 HydrophobicContact CD2-CE3 4.39Å; F406-W413 HydrophobicContact CD2-CH2 4.5Å; F406-W413 HydrophobicContact CD2-CZ2 4.3Å; F406-V482 HydrophobicContact CB-CB 4.18Å; F406-V482 PolarHBondContact N-O 3.2Å
407D96.4Very high97.7Very high48 Ų4861.8 Ų61.826%0.25731%0.312SS..EExtended strand (participates in β ladder)trans-84.2118.6170.116836.7000109.7V405 T409 S410 Q411 S412 V414V405-D407 PolarHBondContact O-N 2.85Å; D407-T409 PolarHBondContact O-N 3.04Å; D407-T409 VanDerWaalsContact OD1-CB 3.25Å; D407-T409 WeakPolarHBondContact OD1-CB 3.28Å; D407-T409 PolarHBondContact OD1-N 2.84Å; D407-T409 PolarHBondContact OD1-OG1 2.57Å; D407-T409 WeakPolarHBondContact OD2-CB 3.35Å; D407-S410 VanDerWaalsContact OD2-CB 3.23Å; D407-S410 WeakPolarHBondContact OD2-CB 3.5Å; D407-S410 PolarHBondContact OD2-N 2.97Å; D407-S410 PolarHBondContact OD2-OG 2.89Å; D407-Q411 VanDerWaalsContact O-CA 3.28Å; D407-Q411 WeakPolarHBondContact O-CA 3.46Å; D407-Q411 PolarHBondContact O-N 2.93Å; D407-S412 PolarHBondContact N-O 3.46Å; D407-S412 PolarHBondContact O-N 2.84Å; D407-V414 HydrophobicContact CB-CG2 3.77Å
408K95.4Very high97.8Very high174 Ų17467.7 Ų67.776%0.75733%0.332SS*.THydrogen-bonded Turntrans-65.3-23.5176.8-172.9-179.6175.9-173.70112.4Q411K408-Q411 PolarHBondContact O-NE2 2.85Å
409T96.7Very high97.8Very high133 Ų13363.2 Ų63.282%0.81631%0.312SS*.THydrogen-bonded Turntrans-75.4-53.9-176.5-34.60000111.2D407D407-T409 PolarHBondContact O-N 3.04Å; D407-T409 VanDerWaalsContact OD1-CB 3.25Å; D407-T409 WeakPolarHBondContact OD1-CB 3.28Å; D407-T409 PolarHBondContact OD1-N 2.84Å; D407-T409 PolarHBondContact OD1-OG1 2.57Å; D407-T409 WeakPolarHBondContact OD2-CB 3.35Å
410S96.9Very high97.8Very high66 Ų6665.6 Ų65.646%0.46232%0.324SS..THydrogen-bonded Turntrans-85-5176.561.10000114.3D407 S412D407-S410 VanDerWaalsContact OD2-CB 3.23Å; D407-S410 WeakPolarHBondContact OD2-CB 3.5Å; D407-S410 PolarHBondContact OD2-N 2.97Å; D407-S410 PolarHBondContact OD2-OG 2.89Å; S410-S412 PolarHBondContact O-N 2.91Å; S410-S412 PolarHBondContact OG-OG 2.86Å
411Q97.3Very high97.8Very high124 Ų12461.2 Ų61.258%0.57930%0.304SS*.THydrogen-bonded Turntrans53.134.7-172.3-66.2-70.5-57.400112.8F406 D407 K408F406-Q411 WeakPolarHBondContact CE2-O 3.39Å; F406-Q411 HydrophobicContact CZ-CB 4.28Å; D407-Q411 VanDerWaalsContact O-CA 3.28Å; D407-Q411 WeakPolarHBondContact O-CA 3.46Å; D407-Q411 PolarHBondContact O-N 2.93Å; K408-Q411 PolarHBondContact O-NE2 2.85Å
412S97.9Very high97.7Very high47 Ų4764.6 Ų64.633%0.32932%0.316SS..EExtended strand (participates in β ladder)trans-132.3164.1-168.385.20000113.9D407 S410D407-S412 PolarHBondContact N-O 3.46Å; D407-S412 PolarHBondContact O-N 2.84Å; S410-S412 PolarHBondContact O-N 2.91Å; S410-S412 PolarHBondContact OG-OG 2.86Å
413W98.4Very high97.7Very high93 Ų9362.3 Ų62.335%0.35231%0.306SS..EExtended strand (participates in β ladder)trans-91.199.9177.1-68.4107.8000111.1F404 F406 R469 V482 L484F404-W413 HydrophobicContact CB-CB 4.17Å; F404-W413 HydrophobicContact CB-CE3 4.07Å; F404-W413 HydrophobicContact CD1-CB 4.16Å; F404-W413 HydrophobicContact CG-CB 4.41Å; F406-W413 HydrophobicContact CB-CE3 3.95Å; F406-W413 HydrophobicContact CB-CH2 4.07Å; F406-W413 HydrophobicContact CB-CZ3 3.65Å; F406-W413 HydrophobicContact CD2-CD2 4.2Å; F406-W413 HydrophobicContact CD2-CE3 4.39Å; F406-W413 HydrophobicContact CD2-CH2 4.5Å; F406-W413 HydrophobicContact CD2-CZ2 4.3Å; W413-R469 HydrophobicContact CH2-CG 4.21Å; W413-V482 HydrophobicContact CH2-CG1 3.94Å; W413-V482 HydrophobicContact CZ3-CG1 4.42Å; W413-L484 HydrophobicContact CD2-CB 4.22Å; W413-L484 HydrophobicContact CD2-CD2 4.31Å; W413-L484 HydrophobicContact CE3-CB 3.74Å; W413-L484 HydrophobicContact CH2-CB 3.9Å; W413-L484 HydrophobicContact CZ2-CB 4.36Å; W413-L484 HydrophobicContact CZ2-CD1 4.49Å; W413-L484 HydrophobicContact CZ3-CB 3.57Å
414V97.9Very high97.7Very high66 Ų6662.5 Ų62.540%0.431%0.307SS..EExtended strand (participates in β ladder)trans-82.7130.4177.6-177.90000109.7F404 V405 D407 R416F404-V414 CarbonylContact C-O 3.56Å; F404-V414 WeakPolarHBondContact CA-O 3.36Å; F404-V414 WeakPolarHBondContact CB-O 3.23Å; V405-V414 HydrophobicContact CG1-CB 4.24Å; V405-V414 PolarHBondContact N-O 3.26Å; V405-V414 PolarHBondContact O-N 3.19Å; D407-V414 HydrophobicContact CB-CG2 3.77Å; V414-R416 PolarHBondContact O-N 2.86Å
415E97.9Very high97.6Very high100 Ų10061.4 Ų61.447%0.46730%0.303SS..EExtended strand (participates in β ladder)trans-66.9119.6175.5172.4165.3-150.300111.2K402 F404K402-E415 WeakPolarHBondContact CE-OE1 3.46Å; K402-E415 WeakPolarHBondContact CE-OE2 3.31Å; K402-E415 IonicContact NZ-OE1 3.17Å; K402-E415 PolarHBondContact NZ-OE1 3.46Å; K402-E415 IonicContact NZ-OE2 3.38Å; K402-E415 PolarHBondContact NZ-OE2 3.31Å; F404-E415 HydrophobicContact CD1-CB 4.29Å; F404-E415 HydrophobicContact CE1-CB 4.5Å
416R96.6Very high97.2Very high33 Ų3363.8 Ų63.813%0.12531%0.313CS..EExtended strand (participates in β ladder)trans-87.5-31.8174.2-16573.5175.112713.4111.4L403 V414 I449 D474 T475 E476L403-R416 HydrophobicContact CB-CB 4.31Å; L403-R416 HydrophobicContact CD2-CB 4.07Å; L403-R416 HydrophobicContact CD2-CG 3.97Å; L403-R416 HydrophobicContact CG-CB 4.02Å; L403-R416 HydrophobicContact CG-CG 4.46Å; L403-R416 PolarHBondContact O-N 3.27Å; V414-R416 PolarHBondContact O-N 2.86Å; R416-I449 HydrophobicContact CG-CB 4.15Å; R416-D474 IonicContact NH2-OD1 3.72Å; R416-T475 PolarHBondContact NH2-OG1 2.83Å; R416-E476 VanDerWaalsContact CZ-CD 3.48Å; R416-E476 IonicContact CZ-OE1 2.67Å; R416-E476 VanDerWaalsContact CZ-OE1 3.22Å; R416-E476 IonicContact CZ-OE2 3.7Å; R416-E476 VanDerWaalsContact CZ-OE2 3.29Å; R416-E476 IonicContact NH1-OE1 3.31Å; R416-E476 PolarHBondContact NH1-OE1 2.99Å; R416-E476 IonicContact NH1-OE2 2.85Å; R416-E476 PolarHBondContact NH1-OE2 3.38Å; R416-E476 IonicContact NH2-OE1 3.38Å; R416-E476 PolarHBondContact NH2-OE1 2.81Å; R416-E476 IonicContact NH2-OE2 3.54Å; R416-E476 PolarHBondContact NH2-OE2 2.8Å
417G97.9Very high96.6Very high12 Ų1264.2 Ų64.212%0.12433%0.329CS..EExtended strand (participates in β ladder)trans154.4175.9168.200000114.5L403L403-G417 PolarHBondContact N-O 2.92Å; L403-G417 PolarHBondContact O-N 2.95Å
418R98.6Very high95.8Very high152 Ų15263.5 Ų63.557%0.57433%0.327SS*.EExtended strand (participates in β ladder)trans-113.5142.3172.6175.7-179.2-73.2171.2-3.1110.4C401 T442 Q443C401-R418 WeakPolarHBondContact O-CA 3.44Å; R418-T442 WeakPolarHBondContact O-CA 3.23Å; R418-Q443 PolarHBondContact O-N 3.26Å
419G98.4Very high94.8Very high0 Ų061.6 Ų61.60%033%0.331CS..EExtended strand (participates in β ladder)trans165.7-152.6175.700000113.3Q400 C401 R441Q400-G419 PolarHBondContact OE1-O 2.98Å; C401-G419 PolarHBondContact N-O 2.94Å; C401-G419 PolarHBondContact O-N 2.67Å; G419-R441 WeakPolarHBondContact CA-O 3.17Å
420L97.8Very high93.7Very high58 Ų5862 Ų6230%0.30433%0.328SS..EExtended strand (participates in β ladder)trans-98.3114.1-168.5-16167.4000108.9Q398 Q400 M440 R441Q398-L420 HydrophobicContact CG-CD1 3.68Å; Q398-L420 HydrophobicContact CG-CD2 3.95Å; Q398-L420 HydrophobicContact CG-CG 3.65Å; Q400-L420 HydrophobicContact CG-CD1 4.17Å; Q400-L420 VanDerWaalsContact OE1-CA 3.31Å; Q400-L420 VanDerWaalsContact OE1-CD1 3.24Å; L420-M440 WeakPolarHBondContact O-CA 3.02Å; L420-R441 PolarHBondContact N-O 3.29Å; L420-R441 VanDerWaalsContact N-O 3.07Å; L420-R441 PolarHBondContact O-N 3.43Å
421L98.5Very high92.7Very high1 Ų163.5 Ų63.51%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-95.7132.8173.5175.871.3000109.3Q398 M399 C401 L438 M440 L450 I485 L495Q398-L421 WeakPolarHBondContact CA-O 3.42Å; M399-L421 HydrophobicContact CG-CB 4.18Å; M399-L421 HydrophobicContact CG-CD2 4.35Å; M399-L421 PolarHBondContact N-O 2.88Å; M399-L421 PolarHBondContact O-N 2.93Å; M399-L421 HydrophobicContact SD-CD2 4.31Å; C401-L421 WeakPolarHBondContact SG-CB 3.41Å; L421-L438 HydrophobicContact CD1-CB 4.31Å; L421-L438 HydrophobicContact CD1-CD2 4.15Å; L421-L438 HydrophobicContact CG-CD2 4.44Å; L421-M440 HydrophobicContact CB-CB 4.48Å; L421-M440 HydrophobicContact CB-CG 4.13Å; L421-M440 HydrophobicContact CB-SD 4.39Å; L421-M440 HydrophobicContact CD1-CB 3.83Å; L421-M440 HydrophobicContact CD1-CG 4.33Å; L421-L450 HydrophobicContact CD1-CD2 4.27Å; L421-I485 HydrophobicContact CD2-CD1 3.97Å; L421-I485 HydrophobicContact CD2-CG2 3.88Å; L421-L495 HydrophobicContact CD2-CD1 4.4Å; L421-L495 HydrophobicContact CD2-CD2 3.63Å
422R97.8Very high91.7Very high76 Ų7660.7 Ų60.729%0.28734%0.335SS..EExtended strand (participates in β ladder)trans-116.1138.3175.9-71.8178.6172.1172.5-6.1110E390 N395 L397 Q398 L438 V439E390-R422 WeakPolarHBondContact OE2-CD 3.39Å; E390-R422 IonicContact OE2-CZ 2.83Å; E390-R422 IonicContact OE2-NE 3.29Å; E390-R422 IonicContact OE2-NH1 3.22Å; E390-R422 PolarHBondContact OE2-NH1 3.17Å; N395-R422 WeakPolarHBondContact ND2-CB 3.25Å; L397-R422 WeakPolarHBondContact O-CA 3.45Å; Q398-R422 HydrophobicContact CB-CG 4.48Å; Q398-R422 HydrophobicContact CG-CG 4.05Å; R422-L438 WeakPolarHBondContact O-CA 3.3Å; R422-V439 HydrophobicContact CB-CB 4.49Å; R422-V439 PolarHBondContact N-O 3.34Å; R422-V439 PolarHBondContact O-N 3.07Å
423L98.3Very high91Very high0 Ų060.4 Ų60.40%033%0.331CS..EExtended strand (participates in β ladder)trans-103.8116.3158.417559.6000107.3N395 V396 L397 L438 L454 A498 L499N395-L423 PolarHBondContact ND2-O 2.65Å; V396-L423 HydrophobicContact CB-CD2 4.43Å; V396-L423 HydrophobicContact CB-CG 4.22Å; V396-L423 WeakPolarHBondContact CB-O 3.45Å; V396-L423 HydrophobicContact CG1-CD2 4.42Å; V396-L423 HydrophobicContact CG2-CG 4.38Å; V396-L423 PolarHBondContact N-O 2.91Å; L397-L423 HydrophobicContact CB-CB 4.38Å; L397-L423 PolarHBondContact N-O 3.46Å; L397-L423 PolarHBondContact O-N 2.8Å; L423-L438 HydrophobicContact CB-CD2 4Å; L423-L438 HydrophobicContact CD1-CD2 4.02Å; L423-L454 HydrophobicContact CD1-CD1 4.3Å; L423-A498 HydrophobicContact CD2-CB 3.62Å; L423-L499 HydrophobicContact CD1-CD2 4Å; L423-L499 HydrophobicContact CD2-CD2 4.35Å
424N97.3Very high90.6Very high4 Ų460.4 Ų60.42%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-111.6142.7178.6-71.54.8000109.9E393 S394 N395 S436 R437E393-N424 HydrophobicContact CB-CB 3.99Å; E393-N424 WeakPolarHBondContact OE2-CB 3.3Å; E393-N424 PolarHBondContact OE2-ND2 3.23Å; S394-N424 CarbonylContact O-C 3.59Å; S394-N424 WeakPolarHBondContact O-CA 3.39Å; N395-N424 PolarHBondContact ND2-OD1 2.86Å; N424-S436 CarbonylContact O-C 3.58Å; N424-S436 VanDerWaalsContact O-CA 3.26Å; N424-S436 WeakPolarHBondContact O-CA 3.34Å; N424-R437 HydrophobicContact CB-CG 4.33Å; N424-R437 PolarHBondContact N-O 3.04Å; N424-R437 PolarHBondContact O-N 3.5Å
425D96.4Very high90.4Very high17 Ų1760.8 Ų60.89%0.09134%0.335CS..EExtended strand (participates in β ladder)trans-114.9132.4170.3-72.1-16.9000110.4S394 V396 L434 S436 R502S394-D425 PolarHBondContact N-O 2.87Å; S394-D425 PolarHBondContact O-N 2.95Å; V396-D425 HydrophobicContact CG2-CB 3.99Å; V396-D425 WeakPolarHBondContact CG2-OD2 3.32Å; D425-L434 HydrophobicContact CB-CD1 3.86Å; D425-L434 HydrophobicContact CB-CG 4.26Å; D425-S436 VanDerWaalsContact OD1-CB 3.24Å; D425-S436 WeakPolarHBondContact OD1-CB 3.48Å; D425-S436 PolarHBondContact OD1-OG 3.28Å; D425-R502 IonicContact OD1-CZ 2.7Å; D425-R502 IonicContact OD1-NE 2.7Å; D425-R502 PolarHBondContact OD1-NE 2.84Å; D425-R502 IonicContact OD1-NH2 3.04Å; D425-R502 IonicContact OD2-CZ 3.84Å; D425-R502 IonicContact OD2-NE 2.65Å; D425-R502 PolarHBondContact OD2-NE 3.07Å; D425-R502 IonicContact OD2-NH2 3.29Å; D425-R502 PolarHBondContact OD2-NH2 3.34Å
426M91.1Very high90.3Very high71 Ų7156.2 Ų56.235%0.3531%0.314SS..EExtended strand (participates in β ladder)trans-108.6124.6168.1-173178.769.400108.1E393 Q435E393-M426 HydrophobicContact CG-CB 4.24Å; M426-Q435 HydrophobicContact CE-CB 4.33Å; M426-Q435 HydrophobicContact CE-CG 4.44Å; M426-Q435 PolarHBondContact N-O 3.48Å; M426-Q435 PolarHBondContact O-N 2.83Å
427A85.6Confident90.3Very high74 Ų7456.7 Ų56.761%0.61232%0.316SS*.EExtended strand (participates in β ladder)trans-82.8127.8169.100000109T429A427-T429 PolarHBondContact O-N 2.84Å
428S80Confident90.3Very high32 Ų3256.1 Ų56.122%0.22431%0.31CS..  trans-68.1126.3167.7-175.30000109.3D430 G432 T433S428-D430 PolarHBondContact O-N 2.96Å; S428-G432 VanDerWaalsContact O-CA 3.32Å; S428-G432 WeakPolarHBondContact O-CA 3.24Å; S428-G432 PolarHBondContact O-N 2.89Å; S428-T433 VanDerWaalsContact CB-O 3.32Å; S428-T433 WeakPolarHBondContact CB-O 3.32Å; S428-T433 PolarHBondContact N-O 2.82Å
429T73.6Confident90.3Very high134 Ų13449.1 Ų49.182%0.82228%0.284SS*.THydrogen-bonded Turntrans-61.1-35.3175.2-47.40000111.8A427A427-T429 PolarHBondContact O-N 2.84Å
430D73.5Confident90.2Very high141 Ų14149.1 Ų49.175%0.75428%0.284SS*.THydrogen-bonded Turntrans-92-57.3-164.9-38.1-77.5000112.4S428 G432S428-D430 PolarHBondContact O-N 2.96Å; D430-G432 VanDerWaalsContact C-N 3.33Å; D430-G432 PolarHBondContact O-N 3.22Å
431D75.2Confident90.2Very high99 Ų9949.8 Ų49.853%0.52928%0.283SS..THydrogen-bonded Turntrans-76.8-15177.1-73.85.5000113.9T433 R509D431-T433 HydrophobicContact CB-CG2 3.63Å; D431-T433 VanDerWaalsContact CB-OG1 3.26Å; D431-T433 WeakPolarHBondContact CB-OG1 3.26Å; D431-T433 PolarHBondContact O-N 2.89Å; D431-T433 PolarHBondContact OD2-OG1 3.22Å; D431-R509 IonicContact OD2-CZ 3.4Å; D431-R509 IonicContact OD2-NH1 4Å; D431-R509 PolarHBondContact OD2-NH1 2.97Å; D431-R509 IonicContact OD2-NH2 3.7Å; D431-R509 PolarHBondContact OD2-NH2 3.49Å
432G77Confident90.1Very high65 Ų6550.4 Ų50.467%0.6729%0.286SS*.  trans65.28.1-163.100000114.5S428 D430S428-G432 VanDerWaalsContact O-CA 3.32Å; S428-G432 WeakPolarHBondContact O-CA 3.24Å; S428-G432 PolarHBondContact O-N 2.89Å; D430-G432 VanDerWaalsContact C-N 3.33Å; D430-G432 PolarHBondContact O-N 3.22Å
433T83.6Confident90Very high40 Ų4052.9 Ų52.925%0.24530%0.301CS..  trans-84143.4-171.4570000113.1S428 D431 R509S428-T433 VanDerWaalsContact CB-O 3.32Å; S428-T433 WeakPolarHBondContact CB-O 3.32Å; S428-T433 PolarHBondContact N-O 2.82Å; D431-T433 HydrophobicContact CB-CG2 3.63Å; D431-T433 VanDerWaalsContact CB-OG1 3.26Å; D431-T433 WeakPolarHBondContact CB-OG1 3.26Å; D431-T433 PolarHBondContact O-N 2.89Å; D431-T433 PolarHBondContact OD2-OG1 3.22Å; T433-R509 VanDerWaalsContact CB-NH1 3.28Å; T433-R509 VanDerWaalsContact CG2-NH1 3.28Å; T433-R509 PolarHBondContact OG1-NH1 2.77Å
434L88.9Confident89.9Confident93 Ų9356.3 Ų56.349%0.48734%0.337SS..EExtended strand (participates in β ladder)trans-89.6120.2-176-162.670.7000110.8D425D425-L434 HydrophobicContact CB-CD1 3.86Å; D425-L434 HydrophobicContact CB-CG 4.26Å
435Q93.5Very high89.8Confident75 Ų7560.7 Ų60.735%0.3537%0.368SS..EExtended strand (participates in β ladder)trans-115.6115.2178.6-177.5161.9103.500110.9M426 K453M426-Q435 HydrophobicContact CE-CB 4.33Å; M426-Q435 HydrophobicContact CE-CG 4.44Å; M426-Q435 PolarHBondContact N-O 3.48Å; M426-Q435 PolarHBondContact O-N 2.83Å; Q435-K453 HydrophobicContact CG-CD 4.27Å
436S96.6Very high89.7Confident4 Ų465.3 Ų65.33%0.02839%0.392CS..EExtended strand (participates in β ladder)trans-106.2148.7-173.9-49.40000113N424 D425 K453 L454 R502N424-S436 CarbonylContact O-C 3.58Å; N424-S436 VanDerWaalsContact O-CA 3.26Å; N424-S436 WeakPolarHBondContact O-CA 3.34Å; D425-S436 VanDerWaalsContact OD1-CB 3.24Å; D425-S436 WeakPolarHBondContact OD1-CB 3.48Å; D425-S436 PolarHBondContact OD1-OG 3.28Å; S436-K453 WeakPolarHBondContact O-CA 3.39Å; S436-L454 PolarHBondContact O-N 3.24Å; S436-R502 WeakPolarHBondContact OG-CD 3.45Å; S436-R502 PolarHBondContact OG-NE 2.81Å
437R96.8Very high89.9Confident43 Ų4368 Ų6816%0.16240%0.398CS..EExtended strand (participates in β ladder)trans-137.9151.6169.463.4169.4177.2177.8-5.7113.6G389 E393 N424 V439 T452 K453G389-R437 PolarHBondContact O-NH2 3.37Å; E393-R437 IonicContact OE1-CZ 2.71Å; E393-R437 VanDerWaalsContact OE1-CZ 3.28Å; E393-R437 IonicContact OE1-NE 2.85Å; E393-R437 PolarHBondContact OE1-NE 2.95Å; E393-R437 IonicContact OE1-NH2 3.98Å; E393-R437 PolarHBondContact OE1-NH2 3.37Å; E393-R437 IonicContact OE2-CZ 3.22Å; E393-R437 VanDerWaalsContact OE2-CZ 3.22Å; E393-R437 IonicContact OE2-NE 2.85Å; E393-R437 PolarHBondContact OE2-NE 2.89Å; E393-R437 IonicContact OE2-NH2 2.73Å; E393-R437 PolarHBondContact OE2-NH2 3.2Å; N424-R437 HydrophobicContact CB-CG 4.33Å; N424-R437 PolarHBondContact N-O 3.04Å; N424-R437 PolarHBondContact O-N 3.5Å; R437-V439 HydrophobicContact CG-CG2 4.01Å; R437-T452 CarbonylContact C-O 3.58Å; R437-T452 WeakPolarHBondContact CA-O 3.3Å; R437-T452 VanDerWaalsContact CB-O 3.24Å; R437-T452 WeakPolarHBondContact CB-O 3.3Å; R437-K453 HydrophobicContact CB-CG 4.42Å
438L98.2Very high90.3Very high0 Ų067.3 Ų67.30%038%0.384CS..EExtended strand (participates in β ladder)trans-97.2127.4166.9-72.7174.1000109.9L421 R422 L423 L450 N451 T452 L454 I470 I485 L495 L499L421-L438 HydrophobicContact CD1-CB 4.31Å; L421-L438 HydrophobicContact CD1-CD2 4.15Å; L421-L438 HydrophobicContact CG-CD2 4.44Å; R422-L438 WeakPolarHBondContact O-CA 3.3Å; L423-L438 HydrophobicContact CB-CD2 4Å; L423-L438 HydrophobicContact CD1-CD2 4.02Å; L438-L450 HydrophobicContact CB-CD2 4.21Å; L438-N451 WeakPolarHBondContact O-CA 3.22Å; L438-T452 HydrophobicContact CB-CG2 3.96Å; L438-T452 PolarHBondContact N-O 3.42Å; L438-T452 PolarHBondContact O-N 2.85Å; L438-L454 HydrophobicContact CD1-CD2 4.36Å; L438-L454 HydrophobicContact CG-CD2 4.23Å; L438-I470 HydrophobicContact CD1-CD1 3.92Å; L438-I485 HydrophobicContact CD1-CD1 4.45Å; L438-L495 HydrophobicContact CD2-CD1 4.05Å; L438-L499 HydrophobicContact CD1-CD1 4.02Å; L438-L499 HydrophobicContact CD1-CD2 3.99Å; L438-L499 HydrophobicContact CD2-CD2 4.05Å; L438-L499 HydrophobicContact CG-CD2 4.05Å
439V97.3Very high91.1Very high4 Ų465.8 Ų65.82%0.02437%0.373CS..EExtended strand (participates in β ladder)trans-126.3127.8179.1-178.50000108.6R422 R437 L448 L450R422-V439 HydrophobicContact CB-CB 4.49Å; R422-V439 PolarHBondContact N-O 3.34Å; R422-V439 PolarHBondContact O-N 3.07Å; R437-V439 HydrophobicContact CG-CG2 4.01Å; V439-L448 HydrophobicContact CG1-CD1 3.8Å; V439-L450 WeakPolarHBondContact CA-O 3.44Å
440M97.9Very high92.3Very high0 Ų059.4 Ų59.40%033%0.334CS..EExtended strand (participates in β ladder)trans-131.4130.1177.1-165.6179.1174.500112C401 L403 L420 L421 I449 L450C401-M440 VanDerWaalsContact O-CE 3.32Å; C401-M440 WeakPolarHBondContact O-CE 3.34Å; C401-M440 WeakPolarHBondContact SG-CE 3.31Å; L403-M440 HydrophobicContact CB-CE 4.17Å; L403-M440 HydrophobicContact CB-SD 3.64Å; L403-M440 HydrophobicContact CD2-SD 4.05Å; L403-M440 HydrophobicContact CG-SD 4.36Å; L420-M440 WeakPolarHBondContact O-CA 3.02Å; L421-M440 HydrophobicContact CB-CB 4.48Å; L421-M440 HydrophobicContact CB-CG 4.13Å; L421-M440 HydrophobicContact CB-SD 4.39Å; L421-M440 HydrophobicContact CD1-CB 3.83Å; L421-M440 HydrophobicContact CD1-CG 4.33Å; M440-I449 HydrophobicContact CB-CG1 4.19Å; M440-I449 HydrophobicContact CE-CD1 4.06Å; M440-I449 HydrophobicContact CG-CD1 4.13Å; M440-I449 HydrophobicContact CG-CG1 4.11Å; M440-I449 WeakPolarHBondContact O-CG1 3.24Å; M440-I449 PolarHBondContact O-N 2.72Å; M440-I449 HydrophobicContact SD-CD1 3.92Å; M440-I449 HydrophobicContact SD-CG1 4.4Å; M440-L450 HydrophobicContact CB-CB 3.84Å; M440-L450 PolarHBondContact N-O 2.9Å; M440-L450 PolarHBondContact O-N 2.73Å
441R96.1Very high93.4Very high72 Ų7255.6 Ų55.627%0.27231%0.314SS..EExtended strand (participates in β ladder)trans-118.9140.3175.5-64.8177-174.3-95.35.7110.3E390 G419 L420 R447 L448E390-R441 IonicContact OE1-CZ 3.22Å; E390-R441 IonicContact OE1-NE 2.81Å; E390-R441 PolarHBondContact OE1-NE 2.75Å; E390-R441 IonicContact OE1-NH2 2.72Å; E390-R441 PolarHBondContact OE1-NH2 2.7Å; G419-R441 WeakPolarHBondContact CA-O 3.17Å; L420-R441 PolarHBondContact N-O 3.29Å; L420-R441 VanDerWaalsContact N-O 3.07Å; L420-R441 PolarHBondContact O-N 3.43Å; R441-R447 WeakPolarHBondContact CA-O 3.43Å; R441-L448 HydrophobicContact CG-CD1 4.11Å
442T97.7Very high94.4Very high14 Ų1451 Ų519%0.08629%0.289CS..EExtended strand (participates in β ladder)trans-65145.1177.345.10000112.3R418 S445 L446 R447 I449R418-T442 WeakPolarHBondContact O-CA 3.23Å; T442-S445 PolarHBondContact OG1-OG 3.47Å; T442-L446 VanDerWaalsContact O-CA 3.31Å; T442-L446 WeakPolarHBondContact O-CA 3.49Å; T442-L446 PolarHBondContact O-N 3.06Å; T442-L446 VanDerWaalsContact O-N 3.12Å; T442-R447 PolarHBondContact N-O 3.27Å; T442-R447 WeakPolarHBondContact OG1-CB 3.48Å; T442-R447 PolarHBondContact OG1-N 3.18Å; T442-R447 PolarHBondContact OG1-O 3.44Å; T442-I449 HydrophobicContact CG2-CD1 3.76Å; T442-I449 HydrophobicContact CG2-CG1 4.15Å; T442-I449 HydrophobicContact CG2-CG2 3.73Å
443Q96.5Very high95.4Very high128 Ų12853.5 Ų53.560%0.59828%0.282SS*.THydrogen-bonded Turntrans-67.1139.5173.7-171.1171.7-000110.5R418 S445R418-Q443 PolarHBondContact O-N 3.26Å; Q443-S445 PolarHBondContact O-N 3.48Å
444G95.3Very high96Very high73 Ų7352.2 Ų52.275%0.75327%0.273SS*.THydrogen-bonded Turntrans84.9-76-177.600000112.5L446G444-L446 VanDerWaalsContact C-N 3.35Å; G444-L446 PolarHBondContact O-N 2.71Å
445S95.3Very high96.4Very high95 Ų9551.1 Ų51.166%0.66426%0.263SS*.THydrogen-bonded Turntrans-81-7.5-173.158.90000115.3T442 Q443 R447T442-S445 PolarHBondContact OG1-OG 3.47Å; Q443-S445 PolarHBondContact O-N 3.48Å; S445-R447 PolarHBondContact O-N 3.12Å
446L94Very high96.5Very high114 Ų11447.7 Ų47.760%0.59725%0.247SC*.  trans55.912.7178.3-55.7178.9000115.4T442 G444 L448T442-L446 VanDerWaalsContact O-CA 3.31Å; T442-L446 WeakPolarHBondContact O-CA 3.49Å; T442-L446 PolarHBondContact O-N 3.06Å; T442-L446 VanDerWaalsContact O-N 3.12Å; G444-L446 VanDerWaalsContact C-N 3.35Å; G444-L446 PolarHBondContact O-N 2.71Å; L446-L448 PolarHBondContact O-N 2.85Å
447R94.9Very high96.5Very high128 Ų12853.2 Ų53.248%0.48327%0.273SS..  trans-57.1125.2175.4-176.1-179.673.4130.60.1109.2R441 T442 S445R441-R447 WeakPolarHBondContact CA-O 3.43Å; T442-R447 PolarHBondContact N-O 3.27Å; T442-R447 WeakPolarHBondContact OG1-CB 3.48Å; T442-R447 PolarHBondContact OG1-N 3.18Å; T442-R447 PolarHBondContact OG1-O 3.44Å; S445-R447 PolarHBondContact O-N 3.12Å
448L95.3Very high96.5Very high59 Ų5951.2 Ų51.231%0.30927%0.265SS..EExtended strand (participates in β ladder)trans-64129.4173.5-171.167.9000109.4V439 R441 L446 L450 N451V439-L448 HydrophobicContact CG1-CD1 3.8Å; R441-L448 HydrophobicContact CG-CD1 4.11Å; L446-L448 PolarHBondContact O-N 2.85Å; L448-L450 WeakPolarHBondContact CD1-O 3.06Å; L448-N451 HydrophobicContact CD1-CB 4.29Å; L448-N451 HydrophobicContact CD2-CB 4.03Å; L448-N451 HydrophobicContact CG-CB 4.36Å
449I96.8Very high96.5Very high0 Ų056.6 Ų56.60%029%0.291CS..EExtended strand (participates in β ladder)trans-131.7-6.7-178.153.3163.2000114L403 R416 M440 T442L403-I449 HydrophobicContact CB-CD1 4.49Å; L403-I449 HydrophobicContact CD2-CD1 4.26Å; L403-I449 HydrophobicContact CD2-CG1 4.45Å; R416-I449 HydrophobicContact CG-CB 4.15Å; M440-I449 HydrophobicContact CB-CG1 4.19Å; M440-I449 HydrophobicContact CE-CD1 4.06Å; M440-I449 HydrophobicContact CG-CD1 4.13Å; M440-I449 HydrophobicContact CG-CG1 4.11Å; M440-I449 WeakPolarHBondContact O-CG1 3.24Å; M440-I449 PolarHBondContact O-N 2.72Å; M440-I449 HydrophobicContact SD-CD1 3.92Å; M440-I449 HydrophobicContact SD-CG1 4.4Å; T442-I449 HydrophobicContact CG2-CD1 3.76Å; T442-I449 HydrophobicContact CG2-CG1 4.15Å; T442-I449 HydrophobicContact CG2-CG2 3.73Å
450L97.7Very high96.6Very high0 Ų057.4 Ų57.40%029%0.294CS..EExtended strand (participates in β ladder)trans-151.3135167.1-174.665.7000108.6L403 L421 L438 V439 M440 L448 T452 A472 F483L403-L450 HydrophobicContact CD1-CD2 4.48Å; L403-L450 HydrophobicContact CD2-CB 3.89Å; L403-L450 HydrophobicContact CD2-CD2 4.46Å; L421-L450 HydrophobicContact CD1-CD2 4.27Å; L438-L450 HydrophobicContact CB-CD2 4.21Å; V439-L450 WeakPolarHBondContact CA-O 3.44Å; M440-L450 HydrophobicContact CB-CB 3.84Å; M440-L450 PolarHBondContact N-O 2.9Å; M440-L450 PolarHBondContact O-N 2.73Å; L448-L450 WeakPolarHBondContact CD1-O 3.06Å; L450-T452 HydrophobicContact CD1-CG2 4.08Å; L450-T452 HydrophobicContact CD2-CG2 4.46Å; L450-T452 HydrophobicContact CG-CG2 4.21Å; L450-A472 HydrophobicContact CD1-CB 4.04Å; L450-F483 HydrophobicContact CD1-CE1 4.44Å; L450-F483 HydrophobicContact CD1-CZ 4.33Å
451N96.5Very high96.6Very high62 Ų6260 Ų6033%0.33231%0.308SS..EExtended strand (participates in β ladder)trans-152.392.7170.3-177.812.9000107.8L438 L448 T475L438-N451 WeakPolarHBondContact O-CA 3.22Å; L448-N451 HydrophobicContact CD1-CB 4.29Å; L448-N451 HydrophobicContact CD2-CB 4.03Å; L448-N451 HydrophobicContact CG-CB 4.36Å; N451-T475 HydrophobicContact CB-CG2 4.03Å
452T97.1Very high96.6Very high3 Ų360.8 Ų60.82%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-130.8131-174.8-173.40000110.1R437 L438 L450 M458 A472 M473R437-T452 CarbonylContact C-O 3.58Å; R437-T452 WeakPolarHBondContact CA-O 3.3Å; R437-T452 VanDerWaalsContact CB-O 3.24Å; R437-T452 WeakPolarHBondContact CB-O 3.3Å; L438-T452 HydrophobicContact CB-CG2 3.96Å; L438-T452 PolarHBondContact N-O 3.42Å; L438-T452 PolarHBondContact O-N 2.85Å; L450-T452 HydrophobicContact CD1-CG2 4.08Å; L450-T452 HydrophobicContact CD2-CG2 4.46Å; L450-T452 HydrophobicContact CG-CG2 4.21Å; T452-M458 HydrophobicContact CG2-CE 4.47Å; T452-A472 HydrophobicContact CG2-CB 3.75Å; T452-M473 PolarHBondContact OG1-N 3.34Å
453K96.5Very high96.7Very high117 Ų11762.4 Ų62.451%0.50933%0.328SS..EExtended strand (participates in β ladder)trans-65.1158.1161.6-72.2-173.1-175.8-178.20109.6Q435 S436 R437Q435-K453 HydrophobicContact CG-CD 4.27Å; S436-K453 WeakPolarHBondContact O-CA 3.39Å; R437-K453 HydrophobicContact CB-CG 4.42Å
454L97.4Very high96.7Very high13 Ų1358.9 Ų58.97%0.06832%0.318CS..  trans-85.7149.3163.9-48.8-173.3000109.4L423 S436 L438 M458 L499 R502 L506L423-L454 HydrophobicContact CD1-CD1 4.3Å; S436-L454 PolarHBondContact O-N 3.24Å; L438-L454 HydrophobicContact CD1-CD2 4.36Å; L438-L454 HydrophobicContact CG-CD2 4.23Å; L454-M458 HydrophobicContact CB-SD 4.18Å; L454-M458 HydrophobicContact CD2-CE 3.87Å; L454-M458 HydrophobicContact CD2-SD 3.6Å; L454-M458 VanDerWaalsContact CD2-SD 3.6Å; L454-M458 HydrophobicContact CG-SD 4.46Å; L454-L499 HydrophobicContact CD1-CD2 3.59Å; L454-L499 HydrophobicContact CD2-CD2 3.68Å; L454-L499 HydrophobicContact CG-CD2 4.3Å; L454-R502 HydrophobicContact CD1-CB 3.7Å; L454-R502 HydrophobicContact CD1-CG 4.44Å; L454-L506 HydrophobicContact CB-CD1 3.94Å
455W96.2Very high96.9Very high69 Ų6961.1 Ų61.126%0.26131%0.309SS..  trans-139161.1175.168.3100.1000110.9Q457 M458 T471 M473 V480W455-Q457 PolarHBondContact O-N 3.24Å; W455-M458 HydrophobicContact CD2-CB 3.73Å; W455-M458 HydrophobicContact CD2-CG 4.1Å; W455-M458 HydrophobicContact CE3-CB 4.12Å; W455-M458 HydrophobicContact CE3-CG 4.02Å; W455-M458 HydrophobicContact CE3-SD 4.15Å; W455-M458 HydrophobicContact CG-CB 4.07Å; W455-M458 HydrophobicContact CH2-CG 4.02Å; W455-M458 HydrophobicContact CZ2-CB 4.19Å; W455-M458 HydrophobicContact CZ2-CG 4.07Å; W455-M458 HydrophobicContact CZ3-CE 4.08Å; W455-M458 HydrophobicContact CZ3-CG 3.99Å; W455-M458 HydrophobicContact CZ3-SD 4.2Å; W455-M458 WeakPolarHBondContact O-CB 3.42Å; W455-M458 PolarHBondContact O-N 3.22Å; W455-M458 VanDerWaalsContact O-N 3.14Å; W455-T471 VanDerWaalsContact CH2-O 3.3Å; W455-T471 WeakPolarHBondContact CH2-O 3.34Å; W455-M473 HydrophobicContact CZ3-CG 4.42Å; W455-V480 HydrophobicContact CZ2-CG1 4.44Å
456A96.4Very high97Very high4 Ų461.8 Ų61.83%0.03330%0.299CS..THydrogen-bonded Turntrans-58.8-46.6-17300000113M458 L506 R507 V510A456-M458 PolarHBondContact O-N 3.27Å; A456-L506 HydrophobicContact CB-CB 4.09Å; A456-R507 HydrophobicContact CB-CG 3.93Å; A456-R507 VanDerWaalsContact O-CG 3.28Å; A456-R507 WeakPolarHBondContact O-CG 3.4Å; A456-R507 PolarHBondContact O-NE 3.22Å; A456-V510 HydrophobicContact CB-CB 4.26Å; A456-V510 HydrophobicContact CB-CG2 3.91Å
457Q96.5Very high97.3Very high119 Ų11957 Ų5756%0.55628%0.276SS*.THydrogen-bonded Turntrans-81.16.7-179.1-61.177.57.500113.7W455 Q459W455-Q457 PolarHBondContact O-N 3.24Å; Q457-Q459 PolarHBondContact O-N 3.04Å; Q457-Q459 PolarHBondContact O-NE2 3.03Å
458M97.6Very high97.4Very high1 Ų150.9 Ų50.91%0.00525%0.253CS..  trans-59.6127.5178.4-167.9-177.8-16700110T452 L454 W455 A456 I470 T471 I503 R507T452-M458 HydrophobicContact CG2-CE 4.47Å; L454-M458 HydrophobicContact CB-SD 4.18Å; L454-M458 HydrophobicContact CD2-CE 3.87Å; L454-M458 HydrophobicContact CD2-SD 3.6Å; L454-M458 VanDerWaalsContact CD2-SD 3.6Å; L454-M458 HydrophobicContact CG-SD 4.46Å; W455-M458 HydrophobicContact CD2-CB 3.73Å; W455-M458 HydrophobicContact CD2-CG 4.1Å; W455-M458 HydrophobicContact CE3-CB 4.12Å; W455-M458 HydrophobicContact CE3-CG 4.02Å; W455-M458 HydrophobicContact CE3-SD 4.15Å; W455-M458 HydrophobicContact CG-CB 4.07Å; W455-M458 HydrophobicContact CH2-CG 4.02Å; W455-M458 HydrophobicContact CZ2-CB 4.19Å; W455-M458 HydrophobicContact CZ2-CG 4.07Å; W455-M458 HydrophobicContact CZ3-CE 4.08Å; W455-M458 HydrophobicContact CZ3-CG 3.99Å; W455-M458 HydrophobicContact CZ3-SD 4.2Å; W455-M458 WeakPolarHBondContact O-CB 3.42Å; W455-M458 PolarHBondContact O-N 3.22Å; W455-M458 VanDerWaalsContact O-N 3.14Å; A456-M458 PolarHBondContact O-N 3.27Å; M458-I470 HydrophobicContact CE-CB 4.46Å; M458-I470 HydrophobicContact CE-CD1 4.22Å; M458-T471 WeakPolarHBondContact CE-O 3.05Å; M458-T471 WeakPolarHBondContact CG-O 3.4Å; M458-I503 HydrophobicContact CB-CD1 4.12Å; M458-I503 HydrophobicContact CB-CG1 4.36Å; M458-I503 HydrophobicContact CG-CD1 4.23Å; M458-I503 HydrophobicContact SD-CD1 3.83Å; M458-I503 HydrophobicContact SD-CG1 4.36Å; M458-R507 PolarHBondContact O-NH2 2.98Å
459Q98Very high97.6Very high114 Ų11452.9 Ų52.953%0.53326%0.256SS..  trans-84.3132.3176-58.5-56.6-5600109.4Q457 I470 T471Q457-Q459 PolarHBondContact O-N 3.04Å; Q457-Q459 PolarHBondContact O-NE2 3.03Å; Q459-I470 VanDerWaalsContact O-CA 3.31Å; Q459-I470 WeakPolarHBondContact O-CA 3.32Å; Q459-T471 HydrophobicContact CB-CG2 3.88Å; Q459-T471 HydrophobicContact CG-CG2 4.19Å; Q459-T471 PolarHBondContact N-OG1 3.35Å; Q459-T471 PolarHBondContact O-N 3.29Å; Q459-T471 PolarHBondContact O-OG1 3.48Å
460I98.3Very high97.7Very high21 Ų2153 Ų5311%0.10826%0.256CS..EExtended strand (participates in β ladder)trans-145122.9178.3177.8166.8000109.5I468 R469 I470 Y496 L499 I503I460-I468 HydrophobicContact CD1-CG2 4.02Å; I460-I468 HydrophobicContact CG1-CG2 3.7Å; I460-R469 WeakPolarHBondContact CA-O 3.26Å; I460-I470 HydrophobicContact CB-CG2 4.14Å; I460-I470 HydrophobicContact CD1-CG2 4.2Å; I460-I470 HydrophobicContact CG1-CG2 3.91Å; I460-Y496 HydrophobicContact CD1-CD2 4.01Å; I460-Y496 HydrophobicContact CD1-CE2 4.29Å; I460-Y496 HydrophobicContact CG1-CD2 3.95Å; I460-Y496 HydrophobicContact CG1-CE2 3.84Å; I460-L499 HydrophobicContact CD1-CB 3.4Å; I460-L499 VanDerWaalsContact CD1-CB 3.4Å; I460-L499 HydrophobicContact CD1-CD1 3.64Å; I460-L499 HydrophobicContact CD1-CG 4.17Å; I460-I503 HydrophobicContact CB-CD1 4.24Å; I460-I503 HydrophobicContact CG2-CD1 3.66Å
461D97.5Very high97.7Very high53 Ų5354.1 Ų54.128%0.28326%0.263SS..EExtended strand (participates in β ladder)trans-137.3145.6176.574.6-98.2000111.9A463 I468 R469D461-A463 VanDerWaalsContact C-N 3.3Å; D461-A463 PolarHBondContact O-N 3.3Å; D461-A463 PolarHBondContact OD2-N 3.46Å; D461-I468 WeakPolarHBondContact O-CA 3.01Å; D461-I468 WeakPolarHBondContact O-CG2 3.28Å; D461-R469 PolarHBondContact N-O 2.92Å; D461-R469 PolarHBondContact O-N 2.82Å; D461-R469 WeakPolarHBondContact OD1-CB 3.48Å; D461-R469 IonicContact OD1-CZ 3.39Å; D461-R469 IonicContact OD1-NE 3.34Å; D461-R469 PolarHBondContact OD1-NE 3.2Å; D461-R469 IonicContact OD1-NH2 2.74Å; D461-R469 PolarHBondContact OD1-NH2 3.36Å; D461-R469 VanDerWaalsContact OD1-NH2 3.17Å; D461-R469 IonicContact OD2-CZ 2.8Å; D461-R469 IonicContact OD2-NE 3.28Å; D461-R469 PolarHBondContact OD2-NE 3.04Å; D461-R469 IonicContact OD2-NH2 3.96Å; D461-R469 PolarHBondContact OD2-NH2 3.33Å
462K97.9Very high97.8Very high90 Ų9051.1 Ų51.139%0.39125%0.248SC..EExtended strand (participates in β ladder)trans-86.574.9-179.8-169.9174.9177.4-1780109.9S464 Y496K462-S464 WeakPolarHBondContact CE-O 3.17Å; K462-S464 VanDerWaalsContact CG-O 3.23Å; K462-S464 WeakPolarHBondContact CG-O 3.24Å; K462-S464 PolarHBondContact O-N 3.32Å; K462-Y496 HydrophobicContact CB-CD2 3.96Å; K462-Y496 HydrophobicContact CB-CE2 3.93Å; K462-Y496 HydrophobicContact CB-CG 4.4Å
463A98Very high97.8Very high47 Ų4754.9 Ų54.939%0.38827%0.266SS..EExtended strand (participates in β ladder)trans-53.6-26-17700000114.7D461 S467 R469 L484D461-A463 VanDerWaalsContact C-N 3.3Å; D461-A463 PolarHBondContact O-N 3.3Å; D461-A463 PolarHBondContact OD2-N 3.46Å; A463-S467 PolarHBondContact N-O 3.19Å; A463-R469 HydrophobicContact CB-CB 4.07Å; A463-L484 HydrophobicContact CB-CD1 4.02Å
464S98.2Very high97.7Very high54 Ų5449.6 Ų49.638%0.37824%0.243SC..EExtended strand (participates in β ladder)trans-155.7178.4163.376.70000111.9K462 K466 S467K462-S464 WeakPolarHBondContact CE-O 3.17Å; K462-S464 VanDerWaalsContact CG-O 3.23Å; K462-S464 WeakPolarHBondContact CG-O 3.24Å; K462-S464 PolarHBondContact O-N 3.32Å; S464-K466 PolarHBondContact O-N 3.25Å; S464-K466 VanDerWaalsContact O-N 3.07Å; S464-K466 PolarHBondContact OG-N 3.49Å; S464-K466 VanDerWaalsContact OG-N 3.13Å; S464-S467 WeakPolarHBondContact CB-OG 3.44Å; S464-S467 PolarHBondContact N-O 2.65Å; S464-S467 PolarHBondContact N-OG 2.72Å; S464-S467 PolarHBondContact O-N 3.47Å; S464-S467 VanDerWaalsContact O-O 3.05Å; S464-S467 PolarHBondContact OG-N 2.94Å; S464-S467 PolarHBondContact OG-OG 2.71Å
465E98.3Very high97.4Very high121 Ų12151.5 Ų51.557%0.56526%0.256SS*.THydrogen-bonded Turntrans-51.8-31170.3-160.4-154.9142.900112.9S489 T492E465-S489 VanDerWaalsContact CD-OG 3.28Å; E465-S489 WeakPolarHBondContact OE1-CB 3.32Å; E465-S489 PolarHBondContact OE1-OG 3.36Å; E465-T492 WeakPolarHBondContact O-CB 3.47Å; E465-T492 WeakPolarHBondContact O-CG2 3.5Å
466K98.6Very high97Very high108 Ų10853.3 Ų53.347%0.4727%0.267SS..THydrogen-bonded Turntrans-119.311.3-172.2-67175.1-173.8170.50113.7S464 S486 A487 S489 T492S464-K466 PolarHBondContact O-N 3.25Å; S464-K466 VanDerWaalsContact O-N 3.07Å; S464-K466 PolarHBondContact OG-N 3.49Å; S464-K466 VanDerWaalsContact OG-N 3.13Å; K466-S486 WeakPolarHBondContact O-CA 3.43Å; K466-A487 WeakPolarHBondContact CB-O 3.32Å; K466-A487 PolarHBondContact O-N 3.37Å; K466-S489 WeakPolarHBondContact CE-OG 3.38Å; K466-S489 WeakPolarHBondContact CG-OG 3.43Å; K466-T492 VanDerWaalsContact C-OG1 3.29Å; K466-T492 WeakPolarHBondContact CA-OG1 3.31Å; K466-T492 PolarHBondContact O-OG1 2.97Å
467S98.6Very high96.7Very high14 Ų1458.5 Ų58.510%0.09829%0.294CS..EExtended strand (participates in β ladder)trans-146.9143.2175.459.50000114.2A463 S464 I485A463-S467 PolarHBondContact N-O 3.19Å; S464-S467 WeakPolarHBondContact CB-OG 3.44Å; S464-S467 PolarHBondContact N-O 2.65Å; S464-S467 PolarHBondContact N-OG 2.72Å; S464-S467 PolarHBondContact O-N 3.47Å; S464-S467 VanDerWaalsContact O-O 3.05Å; S464-S467 PolarHBondContact OG-N 2.94Å; S464-S467 PolarHBondContact OG-OG 2.71Å; S467-I485 CarbonylContact C-O 3.51Å; S467-I485 WeakPolarHBondContact CA-O 3.2Å
468I98.8Very high96.2Very high0 Ų060.2 Ų60.20%030%0.302CS..EExtended strand (participates in β ladder)trans-114.5133.6170.5-44.8-178.2000107.6I460 D461 I470 L484 I485 T492 L495 Y496I460-I468 HydrophobicContact CD1-CG2 4.02Å; I460-I468 HydrophobicContact CG1-CG2 3.7Å; D461-I468 WeakPolarHBondContact O-CA 3.01Å; D461-I468 WeakPolarHBondContact O-CG2 3.28Å; I468-I470 HydrophobicContact CG2-CG2 3.92Å; I468-L484 WeakPolarHBondContact O-CA 3.46Å; I468-I485 PolarHBondContact N-O 3.14Å; I468-I485 PolarHBondContact O-N 3.13Å; I468-T492 HydrophobicContact CD1-CG2 4.45Å; I468-T492 HydrophobicContact CG1-CG2 3.74Å; I468-L495 HydrophobicContact CD1-CB 3.92Å; I468-L495 HydrophobicContact CD1-CD2 3.7Å; I468-L495 HydrophobicContact CD1-CG 3.71Å; I468-Y496 HydrophobicContact CD1-CD2 4.46Å; I468-Y496 HydrophobicContact CG2-CD2 4.1Å
469R98.8Very high96.1Very high100 Ų10061.6 Ų61.638%0.37732%0.317SS..EExtended strand (participates in β ladder)trans-99.4135.4167175.9172.955.5-153.6-11.9108.7W413 I460 D461 A463 V482 F483 L484W413-R469 HydrophobicContact CH2-CG 4.21Å; I460-R469 WeakPolarHBondContact CA-O 3.26Å; D461-R469 PolarHBondContact N-O 2.92Å; D461-R469 PolarHBondContact O-N 2.82Å; D461-R469 WeakPolarHBondContact OD1-CB 3.48Å; D461-R469 IonicContact OD1-CZ 3.39Å; D461-R469 IonicContact OD1-NE 3.34Å; D461-R469 PolarHBondContact OD1-NE 3.2Å; D461-R469 IonicContact OD1-NH2 2.74Å; D461-R469 PolarHBondContact OD1-NH2 3.36Å; D461-R469 VanDerWaalsContact OD1-NH2 3.17Å; D461-R469 IonicContact OD2-CZ 2.8Å; D461-R469 IonicContact OD2-NE 3.28Å; D461-R469 PolarHBondContact OD2-NE 3.04Å; D461-R469 IonicContact OD2-NH2 3.96Å; D461-R469 PolarHBondContact OD2-NH2 3.33Å; A463-R469 HydrophobicContact CB-CB 4.07Å; R469-V482 HydrophobicContact CG-CG1 3.64Å; R469-F483 WeakPolarHBondContact CA-O 3.26Å; R469-L484 HydrophobicContact CB-CD1 3.98Å
470I98.7Very high96Very high2 Ų260.4 Ų60.41%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-136.8151.2179.361.7172.7000111.3L438 M458 Q459 I460 I468 A472 V482 F483 I485L438-I470 HydrophobicContact CD1-CD1 3.92Å; M458-I470 HydrophobicContact CE-CB 4.46Å; M458-I470 HydrophobicContact CE-CD1 4.22Å; Q459-I470 VanDerWaalsContact O-CA 3.31Å; Q459-I470 WeakPolarHBondContact O-CA 3.32Å; I460-I470 HydrophobicContact CB-CG2 4.14Å; I460-I470 HydrophobicContact CD1-CG2 4.2Å; I460-I470 HydrophobicContact CG1-CG2 3.91Å; I468-I470 HydrophobicContact CG2-CG2 3.92Å; I470-A472 HydrophobicContact CD1-CB 4.23Å; I470-V482 WeakPolarHBondContact O-CA 3.24Å; I470-F483 HydrophobicContact CG1-CB 4.09Å; I470-F483 PolarHBondContact N-O 3.15Å; I470-F483 PolarHBondContact O-N 3.2Å; I470-I485 HydrophobicContact CD1-CD1 3.74Å; I470-I485 HydrophobicContact CG1-CD1 4.41Å
471T98.5Very high96Very high24 Ų2462 Ų6215%0.14732%0.323CS..EExtended strand (participates in β ladder)trans-83.5132.3155.551.30000109.1W455 M458 Q459 V480 K481 V482W455-T471 VanDerWaalsContact CH2-O 3.3Å; W455-T471 WeakPolarHBondContact CH2-O 3.34Å; M458-T471 WeakPolarHBondContact CE-O 3.05Å; M458-T471 WeakPolarHBondContact CG-O 3.4Å; Q459-T471 HydrophobicContact CB-CG2 3.88Å; Q459-T471 HydrophobicContact CG-CG2 4.19Å; Q459-T471 PolarHBondContact N-OG1 3.35Å; Q459-T471 PolarHBondContact O-N 3.29Å; Q459-T471 PolarHBondContact O-OG1 3.48Å; T471-V480 HydrophobicContact CG2-CG1 4.24Å; T471-K481 WeakPolarHBondContact CA-O 3.34Å; T471-V482 HydrophobicContact CG2-CG2 4.47Å
472A98.1Very high96Very high0 Ų062 Ų620%033%0.325CS..EExtended strand (participates in β ladder)trans-141.5157.617500000111.2L450 T452 I470 V480 K481 F483L450-A472 HydrophobicContact CD1-CB 4.04Å; T452-A472 HydrophobicContact CG2-CB 3.75Å; I470-A472 HydrophobicContact CD1-CB 4.23Å; A472-V480 WeakPolarHBondContact O-CA 3.34Å; A472-K481 PolarHBondContact N-O 3.41Å; A472-K481 PolarHBondContact O-N 3.16Å; A472-F483 HydrophobicContact CB-CD2 3.66Å; A472-F483 HydrophobicContact CB-CE2 3.77Å
473M96.5Very high96Very high81 Ų8157.7 Ų57.740%0.39931%0.306SS..EExtended strand (participates in β ladder)trans-71.9127.7167.6-61.4-63.6-76.100108.9T452 W455 Q478 V480T452-M473 PolarHBondContact OG1-N 3.34Å; W455-M473 HydrophobicContact CZ3-CG 4.42Å; M473-Q478 WeakPolarHBondContact CE-O 3.4Å; M473-V480 HydrophobicContact SD-CG2 3.54Å; M473-V480 VanDerWaalsContact SD-CG2 3.54Å
474D95Very high96.1Very high6 Ų656.6 Ų56.63%0.03229%0.294CS..  trans-83.2147.1176-170.824.8000112R416 Q478 G479 K481 F483R416-D474 IonicContact NH2-OD1 3.72Å; D474-Q478 WeakPolarHBondContact O-CA 3.5Å; D474-Q478 PolarHBondContact O-N 3.02Å; D474-G479 PolarHBondContact N-O 3.46Å; D474-K481 HydrophobicContact CB-CD 3.83Å; D474-K481 HydrophobicContact CB-CG 4.11Å; D474-K481 WeakPolarHBondContact OD2-CD 3.35Å; D474-K481 VanDerWaalsContact OD2-CE 3.28Å; D474-K481 WeakPolarHBondContact OD2-CE 3.42Å; D474-K481 IonicContact OD2-NZ 2.6Å; D474-K481 PolarHBondContact OD2-NZ 2.92Å; D474-F483 HydrophobicContact CB-CE2 4.47Å; D474-F483 HydrophobicContact CB-CZ 3.97Å
475T90.3Very high96.1Very high54 Ų5454.1 Ų54.133%0.33128%0.276SS..THydrogen-bonded Turntrans-82-14.8-175.661.80000113.8R416 N451R416-T475 PolarHBondContact NH2-OG1 2.83Å; N451-T475 HydrophobicContact CB-CG2 4.03Å
476E88.7Confident96.1Very high107 Ų10750.3 Ų50.350%0.526%0.263SS..THydrogen-bonded Turntrans-93.8-61.1177.6-78.5162.5-16600110.6R416R416-E476 VanDerWaalsContact CZ-CD 3.48Å; R416-E476 IonicContact CZ-OE1 2.67Å; R416-E476 VanDerWaalsContact CZ-OE1 3.22Å; R416-E476 IonicContact CZ-OE2 3.7Å; R416-E476 VanDerWaalsContact CZ-OE2 3.29Å; R416-E476 IonicContact NH1-OE1 3.31Å; R416-E476 PolarHBondContact NH1-OE1 2.99Å; R416-E476 IonicContact NH1-OE2 2.85Å; R416-E476 PolarHBondContact NH1-OE2 3.38Å; R416-E476 IonicContact NH2-OE1 3.38Å; R416-E476 PolarHBondContact NH2-OE1 2.81Å; R416-E476 IonicContact NH2-OE2 3.54Å; R416-E476 PolarHBondContact NH2-OE2 2.8Å
477D88.9Confident96.1Very high113 Ų11346.1 Ų46.160%0.60425%0.248SC*.THydrogen-bonded Turntrans-86.4-9.8-173-60.5-9.8000114.5G479 K481D477-G479 PolarHBondContact O-N 3.05Å; D477-K481 IonicContact OD1-NZ 2.8Å; D477-K481 WeakPolarHBondContact OD2-CE 3.41Å; D477-K481 IonicContact OD2-NZ 2.74Å; D477-K481 PolarHBondContact OD2-NZ 3.4Å
478Q87.7Confident96.1Very high155 Ų15548 Ų4872%0.72426%0.262SS*.  trans56.28.8-169.2-56.8-176.552.800115.3M473 D474M473-Q478 WeakPolarHBondContact CE-O 3.4Å; D474-Q478 WeakPolarHBondContact O-CA 3.5Å; D474-Q478 PolarHBondContact O-N 3.02Å
479G94.2Very high96.1Very high30 Ų3049.7 Ų49.731%0.30927%0.273SS..SBendtrans-86.8159.6173.500000113.3D474 D477 K481D474-G479 PolarHBondContact N-O 3.46Å; D477-G479 PolarHBondContact O-N 3.05Å; G479-K481 PolarHBondContact O-N 3.24Å
480V96.7Very high96.1Very high88 Ų8852.4 Ų52.453%0.53329%0.288SS..EExtended strand (participates in β ladder)trans-72.1118.3168.9-178.90000109.1W455 T471 A472 M473W455-V480 HydrophobicContact CZ2-CG1 4.44Å; T471-V480 HydrophobicContact CG2-CG1 4.24Å; A472-V480 WeakPolarHBondContact O-CA 3.34Å; M473-V480 HydrophobicContact SD-CG2 3.54Å; M473-V480 VanDerWaalsContact SD-CG2 3.54Å
481K97.4Very high96.1Very high54 Ų5454.6 Ų54.624%0.23530%0.299CS..EExtended strand (participates in β ladder)trans-115.9161171.7-64.5-174.5-175169.60110.8V405 T471 A472 D474 D477 G479 F483V405-K481 HydrophobicContact CG2-CB 3.97Å; V405-K481 HydrophobicContact CG2-CD 3.81Å; T471-K481 WeakPolarHBondContact CA-O 3.34Å; A472-K481 PolarHBondContact N-O 3.41Å; A472-K481 PolarHBondContact O-N 3.16Å; D474-K481 HydrophobicContact CB-CD 3.83Å; D474-K481 HydrophobicContact CB-CG 4.11Å; D474-K481 WeakPolarHBondContact OD2-CD 3.35Å; D474-K481 VanDerWaalsContact OD2-CE 3.28Å; D474-K481 WeakPolarHBondContact OD2-CE 3.42Å; D474-K481 IonicContact OD2-NZ 2.6Å; D474-K481 PolarHBondContact OD2-NZ 2.92Å; D477-K481 IonicContact OD1-NZ 2.8Å; D477-K481 WeakPolarHBondContact OD2-CE 3.41Å; D477-K481 IonicContact OD2-NZ 2.74Å; D477-K481 PolarHBondContact OD2-NZ 3.4Å; G479-K481 PolarHBondContact O-N 3.24Å; K481-F483 HydrophobicContact CB-CD2 4.28Å; K481-F483 HydrophobicContact CB-CE2 3.67Å; K481-F483 HydrophobicContact CB-CZ 4.15Å; K481-F483 WeakPolarHBondContact O-CD2 3.44Å
482V98.1Very high96.1Very high54 Ų5453.5 Ų53.533%0.32729%0.293SS..EExtended strand (participates in β ladder)trans-92.6127.2172.7-174.90000108.8F406 W413 R469 I470 T471F406-V482 HydrophobicContact CB-CB 4.18Å; F406-V482 PolarHBondContact N-O 3.2Å; W413-V482 HydrophobicContact CH2-CG1 3.94Å; W413-V482 HydrophobicContact CZ3-CG1 4.42Å; R469-V482 HydrophobicContact CG-CG1 3.64Å; I470-V482 WeakPolarHBondContact O-CA 3.24Å; T471-V482 HydrophobicContact CG2-CG2 4.47Å
483F98.6Very high96.1Very high0 Ų054.7 Ų54.70%031%0.305CS..EExtended strand (participates in β ladder)trans-119.6153.3-179.8-66.3-98.3000111.2L403 F404 V405 L450 R469 I470 A472 D474 K481L403-F483 HydrophobicContact CD1-CB 4.04Å; L403-F483 HydrophobicContact CD1-CD1 3.9Å; L403-F483 HydrophobicContact CD1-CG 4.37Å; L403-F483 HydrophobicContact CD2-CD1 4.24Å; L403-F483 HydrophobicContact CD2-CE1 4.49Å; L403-F483 HydrophobicContact CG-CD1 4.12Å; F404-F483 CarbonylContact O-C 3.55Å; F404-F483 VanDerWaalsContact O-CA 3.24Å; F404-F483 WeakPolarHBondContact O-CA 3.45Å; F404-F483 WeakPolarHBondContact O-CB 3.44Å; F404-F483 WeakPolarHBondContact O-CD1 3.11Å; V405-F483 HydrophobicContact CB-CD1 3.95Å; V405-F483 HydrophobicContact CB-CE1 3.93Å; V405-F483 HydrophobicContact CG2-CD1 4.12Å; V405-F483 HydrophobicContact CG2-CE1 3.9Å; V405-F483 HydrophobicContact CG2-CZ 4.17Å; L450-F483 HydrophobicContact CD1-CE1 4.44Å; L450-F483 HydrophobicContact CD1-CZ 4.33Å; R469-F483 WeakPolarHBondContact CA-O 3.26Å; I470-F483 HydrophobicContact CG1-CB 4.09Å; I470-F483 PolarHBondContact N-O 3.15Å; I470-F483 PolarHBondContact O-N 3.2Å; A472-F483 HydrophobicContact CB-CD2 3.66Å; A472-F483 HydrophobicContact CB-CE2 3.77Å; D474-F483 HydrophobicContact CB-CE2 4.47Å; D474-F483 HydrophobicContact CB-CZ 3.97Å; K481-F483 HydrophobicContact CB-CD2 4.28Å; K481-F483 HydrophobicContact CB-CE2 3.67Å; K481-F483 HydrophobicContact CB-CZ 4.15Å; K481-F483 WeakPolarHBondContact O-CD2 3.44Å
484L98.8Very high96.2Very high24 Ų2456.5 Ų56.513%0.12631%0.313CS..EExtended strand (participates in β ladder)trans-120122171.7-168.275.4000109.4F404 W413 A463 I468 R469F404-L484 HydrophobicContact CB-CB 4.24Å; F404-L484 HydrophobicContact CD2-CB 4.36Å; F404-L484 HydrophobicContact CD2-CD2 4.35Å; F404-L484 PolarHBondContact N-O 3.46Å; F404-L484 PolarHBondContact O-N 3.44Å; W413-L484 HydrophobicContact CD2-CB 4.22Å; W413-L484 HydrophobicContact CD2-CD2 4.31Å; W413-L484 HydrophobicContact CE3-CB 3.74Å; W413-L484 HydrophobicContact CH2-CB 3.9Å; W413-L484 HydrophobicContact CZ2-CB 4.36Å; W413-L484 HydrophobicContact CZ2-CD1 4.49Å; W413-L484 HydrophobicContact CZ3-CB 3.57Å; A463-L484 HydrophobicContact CB-CD1 4.02Å; I468-L484 WeakPolarHBondContact O-CA 3.46Å; R469-L484 HydrophobicContact CB-CD1 3.98Å
485I98.8Very high96.4Very high1 Ų156.2 Ų56.21%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-100.8113.6175-59.2171.8000107.5M399 C401 L403 L421 L438 S467 I468 I470 L495M399-I485 HydrophobicContact CE-CG2 4.49Å; C401-I485 HydrophobicContact CB-CG2 4.03Å; L403-I485 HydrophobicContact CD1-CG1 3.91Å; L421-I485 HydrophobicContact CD2-CD1 3.97Å; L421-I485 HydrophobicContact CD2-CG2 3.88Å; L438-I485 HydrophobicContact CD1-CD1 4.45Å; S467-I485 CarbonylContact C-O 3.51Å; S467-I485 WeakPolarHBondContact CA-O 3.2Å; I468-I485 PolarHBondContact N-O 3.14Å; I468-I485 PolarHBondContact O-N 3.13Å; I470-I485 HydrophobicContact CD1-CD1 3.74Å; I470-I485 HydrophobicContact CG1-CD1 4.41Å; I485-L495 HydrophobicContact CD1-CD2 4.15Å; I485-L495 HydrophobicContact CG2-CD2 3.99Å
486S98.8Very high96.8Very high42 Ų4256.8 Ų56.829%0.29431%0.308SS..EExtended strand (participates in β ladder)trans-109.2129.5179.1-175.10000111.5C401 K402 K466C401-S486 CarbonylContact C-O 3.58Å; C401-S486 WeakPolarHBondContact CA-O 3.45Å; C401-S486 VanDerWaalsContact CB-O 3.26Å; C401-S486 WeakPolarHBondContact CB-O 3.42Å; K402-S486 PolarHBondContact N-O 3.43Å; K402-S486 PolarHBondContact O-N 3.4Å; K466-S486 WeakPolarHBondContact O-CA 3.43Å
487A98.8Very high97.3Very high19 Ų1953.6 Ų53.616%0.15730%0.3CS..  trans-153.3-167.1-17200000112.7M399 C401 K466 D491M399-A487 HydrophobicContact CE-CB 3.23Å; C401-A487 HydrophobicContact CB-CB 3.94Å; K466-A487 WeakPolarHBondContact CB-O 3.32Å; K466-A487 PolarHBondContact O-N 3.37Å; A487-D491 HydrophobicContact CB-CB 4.3Å
488S98.6Very high97.7Very high55 Ų5549 Ų4939%0.38528%0.277SS..  trans-72.3152168.1930000110.8K490 D491 T492S488-K490 PolarHBondContact O-N 2.96Å; S488-K490 VanDerWaalsContact O-N 3.13Å; S488-K490 PolarHBondContact OG-N 3.3Å; S488-D491 VanDerWaalsContact CB-OD2 3.3Å; S488-D491 WeakPolarHBondContact CB-OD2 3.32Å; S488-D491 PolarHBondContact O-N 3.13Å; S488-D491 PolarHBondContact OG-N 3.07Å; S488-D491 PolarHBondContact OG-OD2 2.86Å; S488-T492 PolarHBondContact O-N 2.9Å; S488-T492 PolarHBondContact O-OG1 3.33Å; S488-T492 VanDerWaalsContact O-OG1 3.12Å
489S98.4Very high98.2Very high34 Ų3441.7 Ų41.724%0.23824%0.243CC..Hα-helixtrans-55.1-34.5-179.8-500000113.5E465 K466 G493E465-S489 VanDerWaalsContact CD-OG 3.28Å; E465-S489 WeakPolarHBondContact OE1-CB 3.32Å; E465-S489 PolarHBondContact OE1-OG 3.36Å; K466-S489 WeakPolarHBondContact CE-OG 3.38Å; K466-S489 WeakPolarHBondContact CG-OG 3.43Å; S489-G493 PolarHBondContact O-N 3.23Å
490K98.4Very high98.4Very high158 Ų15843.5 Ų43.569%0.68724%0.243SC*.Hα-helixtrans-65.5-50.5177.1-177-172175.3-169.10110.3S488 G493 Q494S488-K490 PolarHBondContact O-N 2.96Å; S488-K490 VanDerWaalsContact O-N 3.13Å; S488-K490 PolarHBondContact OG-N 3.3Å; K490-G493 PolarHBondContact O-N 2.68Å; K490-Q494 WeakPolarHBondContact O-CG 3.41Å; K490-Q494 PolarHBondContact O-N 3.4Å
491D98.5Very high98.4Very high47 Ų4745.4 Ų45.425%0.25125%0.246SC..Hα-helixtrans-71.3-39.3-175.1-47.4-44.2000110.8M399 A487 S488 G493 Q494 L495M399-D491 HydrophobicContact CB-CB 4.08Å; M399-D491 HydrophobicContact CE-CB 3.6Å; M399-D491 HydrophobicContact SD-CB 3.98Å; A487-D491 HydrophobicContact CB-CB 4.3Å; S488-D491 VanDerWaalsContact CB-OD2 3.3Å; S488-D491 WeakPolarHBondContact CB-OD2 3.32Å; S488-D491 PolarHBondContact O-N 3.13Å; S488-D491 PolarHBondContact OG-N 3.07Å; S488-D491 PolarHBondContact OG-OD2 2.86Å; D491-G493 VanDerWaalsContact C-N 3.29Å; D491-G493 PolarHBondContact O-N 2.97Å; D491-Q494 PolarHBondContact O-N 3.24Å; D491-L495 VanDerWaalsContact O-CB 3.24Å; D491-L495 WeakPolarHBondContact O-CB 3.47Å; D491-L495 PolarHBondContact O-N 2.94Å
492T98.8Very high98.4Very high1 Ų144.8 Ų44.81%0.00624%0.243CC..Hα-helixtrans-56.4-42168.9-59.50000111.5E465 K466 I468 S488 Y496E465-T492 WeakPolarHBondContact O-CB 3.47Å; E465-T492 WeakPolarHBondContact O-CG2 3.5Å; K466-T492 VanDerWaalsContact C-OG1 3.29Å; K466-T492 WeakPolarHBondContact CA-OG1 3.31Å; K466-T492 PolarHBondContact O-OG1 2.97Å; I468-T492 HydrophobicContact CD1-CG2 4.45Å; I468-T492 HydrophobicContact CG1-CG2 3.74Å; S488-T492 PolarHBondContact O-N 2.9Å; S488-T492 PolarHBondContact O-OG1 3.33Å; S488-T492 VanDerWaalsContact O-OG1 3.12Å; T492-Y496 WeakPolarHBondContact O-CB 3.45Å; T492-Y496 PolarHBondContact O-N 2.73Å
493G98.5Very high98.4Very high26 Ų2642.3 Ų42.327%0.26823%0.228SC..Hα-helixtrans-64.5-47.7175.800000113.3S489 K490 D491 A497S489-G493 PolarHBondContact O-N 3.23Å; K490-G493 PolarHBondContact O-N 2.68Å; D491-G493 VanDerWaalsContact C-N 3.29Å; D491-G493 PolarHBondContact O-N 2.97Å; G493-A497 PolarHBondContact O-N 3.12Å
494Q98.6Very high98.3Very high118 Ų11846 Ų4655%0.55125%0.247SC*.Hα-helixtrans-65.4-46.6179.8-66.6-65-60.100112.1L397 K490 D491 A497 A498L397-Q494 HydrophobicContact CD1-CB 3.65Å; K490-Q494 WeakPolarHBondContact O-CG 3.41Å; K490-Q494 PolarHBondContact O-N 3.4Å; D491-Q494 PolarHBondContact O-N 3.24Å; Q494-A497 PolarHBondContact O-N 3.11Å; Q494-A498 WeakPolarHBondContact O-CB 3.36Å; Q494-A498 PolarHBondContact O-N 2.9Å
495L98.7Very high98.1Very high0 Ų047.6 Ų47.60%026%0.264CS..Hα-helixtrans-63-44.1178.3179.266.2000111.8L397 M399 L421 L438 I468 I485 D491 A497 A498 L499L397-L495 HydrophobicContact CD2-CD1 4.32Å; M399-L495 HydrophobicContact CE-CD2 4.03Å; M399-L495 HydrophobicContact SD-CB 3.72Å; M399-L495 HydrophobicContact SD-CD1 4.39Å; M399-L495 HydrophobicContact SD-CD2 3.68Å; M399-L495 HydrophobicContact SD-CG 4.13Å; L421-L495 HydrophobicContact CD2-CD1 4.4Å; L421-L495 HydrophobicContact CD2-CD2 3.63Å; L438-L495 HydrophobicContact CD2-CD1 4.05Å; I468-L495 HydrophobicContact CD1-CB 3.92Å; I468-L495 HydrophobicContact CD1-CD2 3.7Å; I468-L495 HydrophobicContact CD1-CG 3.71Å; I485-L495 HydrophobicContact CD1-CD2 4.15Å; I485-L495 HydrophobicContact CG2-CD2 3.99Å; D491-L495 VanDerWaalsContact O-CB 3.24Å; D491-L495 WeakPolarHBondContact O-CB 3.47Å; D491-L495 PolarHBondContact O-N 2.94Å; L495-A497 PolarHBondContact O-N 3.29Å; L495-A498 PolarHBondContact O-N 3.48Å; L495-L499 HydrophobicContact CD1-CD1 3.8Å; L495-L499 HydrophobicContact CD1-CG 3.96Å; L495-L499 HydrophobicContact CD2-CD1 4.48Å; L495-L499 HydrophobicContact CG-CD1 3.83Å; L495-L499 HydrophobicContact CG-CG 4.34Å; L495-L499 WeakPolarHBondContact O-CB 3.33Å; L495-L499 VanDerWaalsContact O-CG 3.3Å; L495-L499 WeakPolarHBondContact O-CG 3.48Å; L495-L499 PolarHBondContact O-N 2.93Å
496Y98.7Very high97.9Very high66 Ų6649.4 Ų49.426%0.25927%0.273SS..Hα-helixtrans-60-47.6178.4-176.8-97.7000111.4I460 K462 I468 T492 L499 H500I460-Y496 HydrophobicContact CD1-CD2 4.01Å; I460-Y496 HydrophobicContact CD1-CE2 4.29Å; I460-Y496 HydrophobicContact CG1-CD2 3.95Å; I460-Y496 HydrophobicContact CG1-CE2 3.84Å; K462-Y496 HydrophobicContact CB-CD2 3.96Å; K462-Y496 HydrophobicContact CB-CE2 3.93Å; K462-Y496 HydrophobicContact CB-CG 4.4Å; I468-Y496 HydrophobicContact CD1-CD2 4.46Å; I468-Y496 HydrophobicContact CG2-CD2 4.1Å; T492-Y496 WeakPolarHBondContact O-CB 3.45Å; T492-Y496 PolarHBondContact O-N 2.73Å; Y496-L499 PolarHBondContact O-N 3.24Å; Y496-H500 WeakPolarHBondContact O-CB 3.14Å; Y496-H500 PolarHBondContact O-N 3.42Å
497A98.5Very high97.8Very high41 Ų4152.1 Ų52.134%0.33928%0.277SS..Hα-helixtrans-61.8-47.4177.200000111.8G493 Q494 L495 L499 H500 H501G493-A497 PolarHBondContact O-N 3.12Å; Q494-A497 PolarHBondContact O-N 3.11Å; L495-A497 PolarHBondContact O-N 3.29Å; A497-L499 VanDerWaalsContact C-N 3.35Å; A497-L499 PolarHBondContact O-N 3.3Å; A497-H500 PolarHBondContact O-N 3.3Å; A497-H501 PolarHBondContact O-CD2 3.45Å; A497-H501 PolarHBondContact O-N 3.05Å
498A98.5Very high97.6Very high16 Ų1653.5 Ų53.513%0.13229%0.286CS..Hα-helixtrans-62.1-39.6-178.400000112.8L423 Q494 L495 R502L423-A498 HydrophobicContact CD2-CB 3.62Å; Q494-A498 WeakPolarHBondContact O-CB 3.36Å; Q494-A498 PolarHBondContact O-N 2.9Å; L495-A498 PolarHBondContact O-N 3.48Å; A498-R502 VanDerWaalsContact O-CD 3.3Å; A498-R502 WeakPolarHBondContact O-CD 3.21Å; A498-R502 WeakPolarHBondContact O-CG 3.2Å; A498-R502 PolarHBondContact O-NH1 3.25Å
499L98.5Very high97.2Very high1 Ų155 Ų551%0.00528%0.283CS..Hα-helixtrans-71.4-44.4174.7-70.1176000112.2L423 L438 L454 I460 L495 Y496 A497 H501 R502 I503L423-L499 HydrophobicContact CD1-CD2 4Å; L423-L499 HydrophobicContact CD2-CD2 4.35Å; L438-L499 HydrophobicContact CD1-CD1 4.02Å; L438-L499 HydrophobicContact CD1-CD2 3.99Å; L438-L499 HydrophobicContact CD2-CD2 4.05Å; L438-L499 HydrophobicContact CG-CD2 4.05Å; L454-L499 HydrophobicContact CD1-CD2 3.59Å; L454-L499 HydrophobicContact CD2-CD2 3.68Å; L454-L499 HydrophobicContact CG-CD2 4.3Å; I460-L499 HydrophobicContact CD1-CB 3.4Å; I460-L499 VanDerWaalsContact CD1-CB 3.4Å; I460-L499 HydrophobicContact CD1-CD1 3.64Å; I460-L499 HydrophobicContact CD1-CG 4.17Å; L495-L499 HydrophobicContact CD1-CD1 3.8Å; L495-L499 HydrophobicContact CD1-CG 3.96Å; L495-L499 HydrophobicContact CD2-CD1 4.48Å; L495-L499 HydrophobicContact CG-CD1 3.83Å; L495-L499 HydrophobicContact CG-CG 4.34Å; L495-L499 WeakPolarHBondContact O-CB 3.33Å; L495-L499 VanDerWaalsContact O-CG 3.3Å; L495-L499 WeakPolarHBondContact O-CG 3.48Å; L495-L499 PolarHBondContact O-N 2.93Å; Y496-L499 PolarHBondContact O-N 3.24Å; A497-L499 VanDerWaalsContact C-N 3.35Å; A497-L499 PolarHBondContact O-N 3.3Å; L499-H501 PolarHBondContact O-N 2.93Å; L499-R502 PolarHBondContact O-N 3.41Å; L499-R502 VanDerWaalsContact O-N 3.17Å; L499-I503 HydrophobicContact CB-CD1 4.48Å; L499-I503 WeakPolarHBondContact O-CG1 3.39Å; L499-I503 PolarHBondContact O-N 2.94Å
500H97.9Very high97Very high68 Ų6855.5 Ų55.532%0.31528%0.284SS..Hα-helixtrans-58.4-46.1-179.6-175.5-107.2000111.9Y496 A497 R502 I503 L504Y496-H500 WeakPolarHBondContact O-CB 3.14Å; Y496-H500 PolarHBondContact O-N 3.42Å; A497-H500 PolarHBondContact O-N 3.3Å; H500-R502 PolarHBondContact O-N 3.05Å; H500-I503 PolarHBondContact O-N 3.39Å; H500-L504 VanDerWaalsContact CE1-CD1 3.46Å; H500-L504 WeakPolarHBondContact CE1-CD1 3.44Å; H500-L504 WeakPolarHBondContact O-CB 3.44Å; H500-L504 WeakPolarHBondContact O-CG 3.22Å; H500-L504 PolarHBondContact O-N 3.12Å
501H97.4Very high96.7Very high128 Ų12854.3 Ų54.359%0.59328%0.281SS*.Hα-helixtrans-61.6-39.2176.1-75.8-66.3000113.3A497 L499 A505A497-H501 PolarHBondContact O-CD2 3.45Å; A497-H501 PolarHBondContact O-N 3.05Å; L499-H501 PolarHBondContact O-N 2.93Å; H501-A505 WeakPolarHBondContact O-CB 3.46Å; H501-A505 PolarHBondContact O-N 3.37Å
502R97Very high96.3Very high42 Ų4257.8 Ų57.816%0.15830%0.296CS..Hα-helixtrans-69.7-42.7178.6-74.2161.5176.668.813.5112D425 S436 L454 A498 L499 H500 A505 L506D425-R502 IonicContact OD1-CZ 2.7Å; D425-R502 IonicContact OD1-NE 2.7Å; D425-R502 PolarHBondContact OD1-NE 2.84Å; D425-R502 IonicContact OD1-NH2 3.04Å; D425-R502 IonicContact OD2-CZ 3.84Å; D425-R502 IonicContact OD2-NE 2.65Å; D425-R502 PolarHBondContact OD2-NE 3.07Å; D425-R502 IonicContact OD2-NH2 3.29Å; D425-R502 PolarHBondContact OD2-NH2 3.34Å; S436-R502 WeakPolarHBondContact OG-CD 3.45Å; S436-R502 PolarHBondContact OG-NE 2.81Å; L454-R502 HydrophobicContact CD1-CB 3.7Å; L454-R502 HydrophobicContact CD1-CG 4.44Å; A498-R502 VanDerWaalsContact O-CD 3.3Å; A498-R502 WeakPolarHBondContact O-CD 3.21Å; A498-R502 WeakPolarHBondContact O-CG 3.2Å; A498-R502 PolarHBondContact O-NH1 3.25Å; L499-R502 PolarHBondContact O-N 3.41Å; L499-R502 VanDerWaalsContact O-N 3.17Å; H500-R502 PolarHBondContact O-N 3.05Å; R502-A505 PolarHBondContact O-N 3.35Å; R502-L506 VanDerWaalsContact O-CG 3.31Å; R502-L506 WeakPolarHBondContact O-CG 3.26Å; R502-L506 PolarHBondContact O-N 3.14Å
503I97Very high95.8Very high2 Ų262.3 Ų62.31%0.0132%0.317CS..Hα-helixtrans-67-37.9177.6-67.9163.3000110.8M458 I460 L499 H500 L506 R507M458-I503 HydrophobicContact CB-CD1 4.12Å; M458-I503 HydrophobicContact CB-CG1 4.36Å; M458-I503 HydrophobicContact CG-CD1 4.23Å; M458-I503 HydrophobicContact SD-CD1 3.83Å; M458-I503 HydrophobicContact SD-CG1 4.36Å; I460-I503 HydrophobicContact CB-CD1 4.24Å; I460-I503 HydrophobicContact CG2-CD1 3.66Å; L499-I503 HydrophobicContact CB-CD1 4.48Å; L499-I503 WeakPolarHBondContact O-CG1 3.39Å; L499-I503 PolarHBondContact O-N 2.94Å; H500-I503 PolarHBondContact O-N 3.39Å; I503-L506 PolarHBondContact O-N 3.45Å; I503-R507 VanDerWaalsContact O-CG 3.32Å; I503-R507 WeakPolarHBondContact O-CG 3.31Å; I503-R507 PolarHBondContact O-N 3Å
504L96.5Very high95.2Very high76 Ų7666.9 Ų66.940%0.39833%0.331SS..Hα-helixtrans-62-46.9171.2-75.5178000112.4H500 L506 R507 S508H500-L504 VanDerWaalsContact CE1-CD1 3.46Å; H500-L504 WeakPolarHBondContact CE1-CD1 3.44Å; H500-L504 WeakPolarHBondContact O-CB 3.44Å; H500-L504 WeakPolarHBondContact O-CG 3.22Å; H500-L504 PolarHBondContact O-N 3.12Å; L504-L506 VanDerWaalsContact C-N 3.29Å; L504-L506 PolarHBondContact O-N 3.07Å; L504-R507 WeakPolarHBondContact O-CB 3.48Å; L504-R507 PolarHBondContact O-N 3.48Å; L504-R507 VanDerWaalsContact O-N 3.09Å; L504-S508 PolarHBondContact O-N 3.45Å; L504-S508 PolarHBondContact O-OG 3.38Å
505A95.5Very high94.5Very high59 Ų5968 Ų6849%0.48834%0.337SS..Hα-helixtrans-60.2-39.3177.900000112.4H501 R502 S508 R509H501-A505 WeakPolarHBondContact O-CB 3.46Å; H501-A505 PolarHBondContact O-N 3.37Å; R502-A505 PolarHBondContact O-N 3.35Å; A505-S508 WeakPolarHBondContact CA-OG 3.39Å; A505-S508 PolarHBondContact O-N 3.28Å; A505-S508 PolarHBondContact O-OG 3.09Å; A505-R509 PolarHBondContact O-N 3.08Å
506L95.5Very high93.8Very high39 Ų3972.5 Ų72.520%0.20437%0.374CS..Hα-helixtrans-65.7-38.4173.7-69.9168.2000112.3L454 A456 R502 I503 L504 R509 V510L454-L506 HydrophobicContact CB-CD1 3.94Å; A456-L506 HydrophobicContact CB-CB 4.09Å; R502-L506 VanDerWaalsContact O-CG 3.31Å; R502-L506 WeakPolarHBondContact O-CG 3.26Å; R502-L506 PolarHBondContact O-N 3.14Å; I503-L506 PolarHBondContact O-N 3.45Å; L504-L506 VanDerWaalsContact C-N 3.29Å; L504-L506 PolarHBondContact O-N 3.07Å; L506-R509 PolarHBondContact O-N 3.37Å; L506-V510 WeakPolarHBondContact O-CB 3.12Å; L506-V510 WeakPolarHBondContact O-CG2 3.35Å; L506-V510 PolarHBondContact O-N 2.92Å; L506-V510 VanDerWaalsContact O-N 3.08Å
507R95.8Very high92.7Very high98 Ų9877.7 Ų77.737%0.3740%0.398SS..Hα-helixtrans-62.5-50.2173.7-71.8169.8-170.2-178.23.9111.3A456 M458 I503 L504 R509 V510 E511A456-R507 HydrophobicContact CB-CG 3.93Å; A456-R507 VanDerWaalsContact O-CG 3.28Å; A456-R507 WeakPolarHBondContact O-CG 3.4Å; A456-R507 PolarHBondContact O-NE 3.22Å; M458-R507 PolarHBondContact O-NH2 2.98Å; I503-R507 VanDerWaalsContact O-CG 3.32Å; I503-R507 WeakPolarHBondContact O-CG 3.31Å; I503-R507 PolarHBondContact O-N 3Å; L504-R507 WeakPolarHBondContact O-CB 3.48Å; L504-R507 PolarHBondContact O-N 3.48Å; L504-R507 VanDerWaalsContact O-N 3.09Å; R507-R509 VanDerWaalsContact C-N 3.27Å; R507-R509 PolarHBondContact O-N 2.81Å; R507-V510 PolarHBondContact O-N 2.77Å; R507-V510 VanDerWaalsContact O-N 3.13Å; R507-E511 WeakPolarHBondContact O-CB 3.44Å; R507-E511 PolarHBondContact O-N 3.32Å
508S94Very high91.1Very high49 Ų4982.6 Ų82.634%0.34342%0.415SS..Hα-helixtrans-62.6-30.7178.951.80000113.4L504 A505 Q512L504-S508 PolarHBondContact O-N 3.45Å; L504-S508 PolarHBondContact O-OG 3.38Å; A505-S508 WeakPolarHBondContact CA-OG 3.39Å; A505-S508 PolarHBondContact O-N 3.28Å; A505-S508 PolarHBondContact O-OG 3.09Å; S508-Q512 WeakPolarHBondContact O-CG 3.35Å; S508-Q512 PolarHBondContact O-N 3.06Å; S508-Q512 VanDerWaalsContact O-N 3.16Å; S508-Q512 PolarHBondContact O-NE2 3.49Å
509R91.6Very high89.4Confident86 Ų8687.5 Ų87.533%0.32545%0.446SS..Hα-helixtrans-66.1-51.2171.5178.7-178.8175162.314110.9D431 T433 A505 L506 R507 E511 Q512 E513D431-R509 IonicContact OD2-CZ 3.4Å; D431-R509 IonicContact OD2-NH1 4Å; D431-R509 PolarHBondContact OD2-NH1 2.97Å; D431-R509 IonicContact OD2-NH2 3.7Å; D431-R509 PolarHBondContact OD2-NH2 3.49Å; T433-R509 VanDerWaalsContact CB-NH1 3.28Å; T433-R509 VanDerWaalsContact CG2-NH1 3.28Å; T433-R509 PolarHBondContact OG1-NH1 2.77Å; A505-R509 PolarHBondContact O-N 3.08Å; L506-R509 PolarHBondContact O-N 3.37Å; R507-R509 VanDerWaalsContact C-N 3.27Å; R507-R509 PolarHBondContact O-N 2.81Å; R509-E511 PolarHBondContact O-N 2.85Å; R509-Q512 PolarHBondContact O-N 2.88Å; R509-E513 HydrophobicContact CG-CG 4.37Å; R509-E513 IonicContact CZ-OE1 2.75Å; R509-E513 VanDerWaalsContact CZ-OE1 3.29Å; R509-E513 IonicContact NE-OE1 2.77Å; R509-E513 PolarHBondContact NE-OE1 2.83Å; R509-E513 IonicContact NE-OE2 3.22Å; R509-E513 IonicContact NH2-OE1 3.27Å; R509-E513 PolarHBondContact NH2-OE1 3.31Å; R509-E513 WeakPolarHBondContact O-CB 3.26Å; R509-E513 WeakPolarHBondContact O-CG 3.29Å; R509-E513 PolarHBondContact O-N 3.29Å
510V92.9Very high87.8Confident44 Ų4491.4 Ų91.427%0.26748%0.478SS..Hα-helixtrans-64.4-27.6-178.8166.70000112.5A456 L506 R507 Q514A456-V510 HydrophobicContact CB-CB 4.26Å; A456-V510 HydrophobicContact CB-CG2 3.91Å; L506-V510 WeakPolarHBondContact O-CB 3.12Å; L506-V510 WeakPolarHBondContact O-CG2 3.35Å; L506-V510 PolarHBondContact O-N 2.92Å; L506-V510 VanDerWaalsContact O-N 3.08Å; R507-V510 PolarHBondContact O-N 2.77Å; R507-V510 VanDerWaalsContact O-N 3.13Å; V510-Q514 VanDerWaalsContact CG1-NE2 3.28Å; V510-Q514 WeakPolarHBondContact O-CG 3.18Å; V510-Q514 PolarHBondContact O-N 3.44Å; V510-Q514 PolarHBondContact O-NE2 3.43Å
511E92.9Very high86Confident133 Ų13394.1 Ų94.162%0.62150%0.502SS*.Hα-helixtrans-71.8-50.7173.2-169.4164.8-149.900111.3R507 R509 E513 Q514 E515R507-E511 WeakPolarHBondContact O-CB 3.44Å; R507-E511 PolarHBondContact O-N 3.32Å; R509-E511 PolarHBondContact O-N 2.85Å; E511-E513 VanDerWaalsContact C-N 3.33Å; E511-E513 PolarHBondContact O-N 3.15Å; E511-Q514 PolarHBondContact O-N 2.95Å; E511-E515 PolarHBondContact O-N 2.91Å
512Q89.3Confident84.2Confident121 Ų12196.7 Ų96.757%0.56551%0.514SS*.Hα-helixtrans-59.1-39.7173.6-76.8164.479.800112.8S508 R509 Q514 E515 A516S508-Q512 WeakPolarHBondContact O-CG 3.35Å; S508-Q512 PolarHBondContact O-N 3.06Å; S508-Q512 VanDerWaalsContact O-N 3.16Å; S508-Q512 PolarHBondContact O-NE2 3.49Å; R509-Q512 PolarHBondContact O-N 2.88Å; Q512-Q514 PolarHBondContact O-N 2.97Å; Q512-E515 PolarHBondContact O-N 3.39Å; Q512-A516 VanDerWaalsContact O-CB 3.23Å; Q512-A516 WeakPolarHBondContact O-CB 3.5Å; Q512-A516 PolarHBondContact O-N 3.16Å
513E88.1Confident82.4Confident95 Ų95100.6 Ų100.644%0.44455%0.545SS..Hα-helixtrans-69.1-19.5176.9-73.7174.6166.500113.4R509 E511 K517R509-E513 HydrophobicContact CG-CG 4.37Å; R509-E513 IonicContact CZ-OE1 2.75Å; R509-E513 VanDerWaalsContact CZ-OE1 3.29Å; R509-E513 IonicContact NE-OE1 2.77Å; R509-E513 PolarHBondContact NE-OE1 2.83Å; R509-E513 IonicContact NE-OE2 3.22Å; R509-E513 IonicContact NH2-OE1 3.27Å; R509-E513 PolarHBondContact NH2-OE1 3.31Å; R509-E513 WeakPolarHBondContact O-CB 3.26Å; R509-E513 WeakPolarHBondContact O-CG 3.29Å; R509-E513 PolarHBondContact O-N 3.29Å; E511-E513 VanDerWaalsContact C-N 3.33Å; E511-E513 PolarHBondContact O-N 3.15Å; E513-K517 WeakPolarHBondContact O-CB 3.26Å
514Q86.7Confident80.1Confident122 Ų122103.9 Ų103.957%0.5758%0.58SS**Hα-helixtrans-88-45.6171.8-80170.679.700111.7V510 E511 Q512 A516 K517 M518V510-Q514 VanDerWaalsContact CG1-NE2 3.28Å; V510-Q514 WeakPolarHBondContact O-CG 3.18Å; V510-Q514 PolarHBondContact O-N 3.44Å; V510-Q514 PolarHBondContact O-NE2 3.43Å; E511-Q514 PolarHBondContact O-N 2.95Å; Q512-Q514 PolarHBondContact O-N 2.97Å; Q514-A516 PolarHBondContact O-N 2.94Å; Q514-K517 PolarHBondContact O-N 2.87Å; Q514-M518 PolarHBondContact O-N 3.17Å
515E84.4Confident77.8Confident143 Ų143105.2 Ų105.267%0.66860%0.602SS**Hα-helixtrans-58.9-47.9177.3-173.6176.8-164.900111.1E511 Q512 K517 M518E511-E515 PolarHBondContact O-N 2.91Å; Q512-E515 PolarHBondContact O-N 3.39Å; E515-K517 PolarHBondContact O-N 3.49Å; E515-M518 PolarHBondContact O-N 2.97Å; E515-M518 VanDerWaalsContact O-N 3.17Å
516A83.4Confident75.5Confident94 Ų94106.5 Ų106.578%0.77761%0.612SS**THydrogen-bonded Turntrans-66.5-8176.600000114.5Q512 Q514Q512-A516 VanDerWaalsContact O-CB 3.23Å; Q512-A516 WeakPolarHBondContact O-CB 3.5Å; Q512-A516 PolarHBondContact O-N 3.16Å; Q514-A516 PolarHBondContact O-N 2.94Å
517K75.5Confident73.5Confident175 Ų175110.3 Ų110.376%0.76164%0.639SS**THydrogen-bonded Turntrans-106.4-8.8178.4-167.3168.6-178.7177.20113.2E513 Q514 E515 P519E513-K517 WeakPolarHBondContact O-CB 3.26Å; Q514-K517 PolarHBondContact O-N 2.87Å; E515-K517 PolarHBondContact O-N 3.49Å; K517-P519 WeakPolarHBondContact O-CD 3.48Å
518M65.2Low71Confident143 Ų143110.5 Ų110.570%0.70466%0.656SS**SBendtrans-71.7120.5168.4-74173.449.800109Q514 E515 A520Q514-M518 PolarHBondContact O-N 3.17Å; E515-M518 PolarHBondContact O-N 2.97Å; E515-M518 VanDerWaalsContact O-N 3.17Å; M518-A520 PolarHBondContact O-N 3.3Å
519P62.5Low68.9Low119 Ų119115.6 Ų115.677%0.77368%0.679SS**PPolyproline II helixtrans-64.3138.6172.628.3-33.4000109.1K517K517-P519 WeakPolarHBondContact O-CD 3.48Å
520A65.2Low67.2Low84 Ų84120.2 Ų120.269%0.69470%0.704SS**PPolyproline II helixtrans-58.1139.8172.400000109.7M518 E522M518-A520 PolarHBondContact O-N 3.3Å; A520-E522 PolarHBondContact O-N 3.35Å
521P60Low65.1Low125 Ų125127.4 Ų127.481%0.81274%0.735SS**PPolyproline II helixtrans-62.6122.8174.326.7-33.2000108.7
522E60.5Low63.3Low181 Ų181129 Ų12985%0.84675%0.748SS**PPolyproline II helixtrans-60.6133.4177.2-66.7-139.1123.300109.8A520 G524A520-E522 PolarHBondContact O-N 3.35Å; E522-G524 PolarHBondContact O-N 3.03Å
523P57.9Low62Low124 Ų124130.2 Ų130.281%0.80576%0.758SS**PPolyproline II helixtrans-61.1125.6176.126.5-33.2000108.4A525P523-A525 PolarHBondContact O-N 3.11Å
524G49.5Very low60.6Low72 Ų72130.6 Ų130.674%0.74277%0.772SS**PPolyproline II helixtrans-50.4130.9-159.200000114.4E522 A526E522-G524 PolarHBondContact O-N 3.03Å; G524-A526 PolarHBondContact O-N 2.87Å; G524-A526 VanDerWaalsContact O-N 3.1Å
525A47.2Very low59Low104 Ų104131.5 Ų131.586%0.8678%0.78SS**PPolyproline II helixtrans-53.2117.6169.100000109.2P523P523-A525 PolarHBondContact O-N 3.11Å
526A48.3Very low57.9Low86 Ų86132.4 Ų132.471%0.71179%0.79SS**PPolyproline II helixtrans-62.5134.7179.200000109.5G524 S528G524-A526 PolarHBondContact O-N 2.87Å; G524-A526 VanDerWaalsContact O-N 3.1Å; A526-S528 VanDerWaalsContact C-N 3.32Å; A526-S528 PolarHBondContact O-N 3.35Å
527P52.5Low56.6Low118 Ų118135.2 Ų135.277%0.76679%0.791SS**  trans-68.596.5166.929.1-32000107.9N529P527-N529 PolarHBondContact O-N 3.17Å
528S42.7Very low55.7Low102 Ų102134 Ų13471%0.71379%0.793SS**  trans-71.670.316758.30000109.1A526A526-S528 VanDerWaalsContact C-N 3.32Å; A526-S528 PolarHBondContact O-N 3.35Å
529N51.5Low55.3Low156 Ų156132.4 Ų132.483%0.83479%0.792SS**PPolyproline II helixtrans-70.9126.3160.4-102.540.2000107.2P527P527-N529 PolarHBondContact O-N 3.17Å
530E54.8Low54.6Low183 Ų183134 Ų13486%0.85579%0.793SS**PPolyproline II helixtrans-77.7155.5-168-60177.4-172.200111.1
531E48.8Very low54Low195 Ų195134.4 Ų134.491%0.91180%0.796SS**PPolyproline II helixtrans-73.1149.5-180-57.6174.2157.300111
532D54.6Low53.7Low168 Ų168134.3 Ų134.390%0.89880%0.795SS**  trans141.7166.3141-155.714.4000114.2
533D63.7Low52.9Low146 Ų146132 Ų13278%0.78180%0.8SS**  trans83.277.4168-141.312.4000120.2
534S58.8Low52.2Low103 Ų103130 Ų13072%0.7280%0.802SS**  61.1135.4127.7-156.50000123.6
535D52Low52.1Low140 Ų140130.9 Ų130.975%0.74980%0.801SS**  trans-68.2155.3165.9-43.7-93.5000113.8
536D60.9Low51.9Low163 Ų163132.7 Ų132.787%0.87280%0.802SS**  179.5172.3111-101.5-29.2000113.4
537D57.4Low51.8Low152 Ų152132.8 Ų132.881%0.81380%0.803SS**  trans-85.1-179.3-159.2-92.2-63.5000119.6
538D56.8Low51.5Low149 Ų149132.3 Ų132.380%0.79781%0.809SS**  trans99.3141.2162.4-80.4-29.6000120.1
539V55.6Low51.7Low111 Ų111131.3 Ų131.367%0.67381%0.814SS**  cis-171.3146.5-35.5114.10000111.6
540L48.6Very low51.8Low152 Ų152128.9 Ų128.980%0.79682%0.816SS**  trans47.2101.7159.3-64.1172.1000122.9
541A51.6Low51.7Low93 Ų93124.1 Ų124.177%0.76982%0.816SS**  68.8150.6111.900000123.2
542P53.3Low52.5Low122 Ų122122.5 Ų122.579%0.79281%0.814SS**  trans-118159.8-169.442.1-31.5000116.5
543S44.4Very low52.6Low134 Ų134123.4 Ų123.494%0.93781%0.813SS**  trans-172.7142149.9-86.30000113.2
544G43.2Very low52.4Low82 Ų82120.2 Ų120.285%0.84581%0.814SS**  trans166.6126.5172.600000111.4
545A47.9Very low52.3Low89 Ų89123.8 Ų123.874%0.73683%0.825SS**  trans-133.1176.9-165.900000113.8
546T43.1Very low52.6Low143 Ų143120.8 Ų120.888%0.87783%0.827SS**  trans77.9151.917175.20000117.4
547A46Very low52.3Low88 Ų88121.8 Ų121.873%0.72783%0.826SS**  cis-168.9147.9-29.800000112.2
548A46Very low51.9Low107 Ų107120.6 Ų120.688%0.88483%0.825SS**  trans63.9127.314900000123.4
549G46.7Very low52Low81 Ų81120.2 Ų120.284%0.83583%0.828SS**  trans97.7152.8150.700000117.4
550A54.4Low51.9Low106 Ų106118.7 Ų118.788%0.87684%0.835SS**  cis-167.9156.2-16.800000110.3
551G52.6Low52.4Low82 Ų82116.5 Ų116.585%0.84583%0.832SS**  trans86.2158179.600000114
552D64.1Low52.5Low162 Ų162122 Ų12287%0.86686%0.856SS**  cis-143.7169.74.5-167.318.5000110.9
553E58.5Low52.5Low187 Ų187122 Ų12287%0.87486%0.86SS**  trans-86.1161.7-168.5-63.7179.580.800115.3
554G59.1Low52.9Low78 Ų78121.4 Ų121.480%0.80486%0.855SS**  trans179.380.2178.400000115.4
555D56.5Low53.4Low179 Ų179123.6 Ų123.696%0.95786%0.856SS**  trans-67.4148.5177.5-108.4-47.2000114
556G57Low53.8Low76 Ų76125.6 Ų125.678%0.78486%0.863SS**  trans-153.35.1-169.100000119.2
557Q55.7Low54.4Low184 Ų184124.5 Ų124.586%0.8686%0.862SS**  trans49.1121.4164.3-165.9164.2-3.100120.9
558T49.7Very low55Low128 Ų128126.9 Ų126.979%0.78587%0.871SS**  trans-80.2143.5170.855.10000114.2
559T57.4Low55.6Low141 Ų141128.4 Ų128.487%0.86587%0.87SS**  trans-154.5132.5136.446.50000110.6
560G54.5Low56.3Low79 Ų79132 Ų13281%0.81487%0.873SS**  trans-124.1156.9161.600000110
561S59.5Low56.5Low106 Ų106134.2 Ų134.274%0.74187%0.873SS**  trans-158.6139170.8179.60000110.6
562T53.4Low56.8Low208 Ų208138.9 Ų138.9100%1.27688%0.875SS**  trans50.80160.447.90000117.5

Retrieved 562 of 562 residues in 130.9 ms (Link to these results)