A0A096MW00_PAPAN Loading...

CCR4-NOT transcription complex subunit 2

AlphaFold DB (A0A1S3FKL8), UniProt , Accession A0A096MW00, Species PAPAN (Papio anubis, Olive baboon), Gene CNOT2, Length 531 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
1M49.9Very low39.1Very low204 Ų204129.1 Ų129.1100%1.00569%0.693SS**  0-27.10-131174-82.800115.8
2L38.8Very low39Very low168 Ų168131 Ų13188%0.8870%0.698SS**  trans-102.2-8.7175.4-89.9165.1000116.4
3K34.7Very low39.5Very low195 Ų195135.3 Ų135.385%0.84871%0.707SS**SBendtrans-92.7-12.6172.6-73.3-169.6172.8-175.70114.4
4E38.2Very low38.7Very low139 Ų139129.8 Ų129.865%0.6570%0.699SS**SBendtrans-86.5-30.9-172.1-146.7160.7-176.800111.7A6 Q7E4-A6 VanDerWaalsContact C-N 3.34Å; E4-A6 PolarHBondContact O-N 3.21Å; E4-Q7 PolarHBondContact O-N 3.42Å
5V43.5Very low38.3Very low95 Ų95127.7 Ų127.758%0.57671%0.707SS**Hα-helixtrans-66.8-33.2177.5-176.80000112.2Q7V5-Q7 VanDerWaalsContact C-N 3.26Å; V5-Q7 PolarHBondContact O-N 3.48Å
6A37.1Very low37.9Very low57 Ų57126.9 Ų126.947%0.47171%0.713SS.*Hα-helixtrans-73.6-14.2179.500000114.2E4 N10E4-A6 VanDerWaalsContact C-N 3.34Å; E4-A6 PolarHBondContact O-N 3.21Å; A6-N10 PolarHBondContact O-ND2 3.37Å; A6-N10 VanDerWaalsContact O-ND2 3.1Å
7Q36Very low37.6Very low156 Ų156133.8 Ų133.873%0.72973%0.725SS**Hα-helixtrans-94.2-23.8-177-148.1168.2100112.4E4 V5E4-Q7 PolarHBondContact O-N 3.42Å; V5-Q7 VanDerWaalsContact C-N 3.26Å; V5-Q7 PolarHBondContact O-N 3.48Å
8V40.1Very low37.3Very low89 Ų89137.6 Ų137.654%0.53973%0.734SS.*Hα-helixtrans-79-39.8176.9-179.40000111.7N10 S11V8-N10 PolarHBondContact O-N 2.94Å; V8-S11 PolarHBondContact O-N 2.86Å
9T40.2Very low36.9Very low82 Ų82141.1 Ų141.150%0.50374%0.742SS.*Hα-helixtrans-66.6-34.5-177.149.60000113.6S11T9-S11 PolarHBondContact O-N 2.95Å
10N33.9Very low36.3Very low134 Ų134144.1 Ų144.172%0.71775%0.749SS**THydrogen-bonded Turntrans-70.5-15.4176.3-81.2-60.8000114A6 V8A6-N10 PolarHBondContact O-ND2 3.37Å; A6-N10 VanDerWaalsContact O-ND2 3.1Å; V8-N10 PolarHBondContact O-N 2.94Å
11S38.2Very low36Very low101 Ų101143 Ų14371%0.70675%0.749SS**THydrogen-bonded Turntrans-82.8-23.3-179.2-163.30000113.5V8 T9V8-S11 PolarHBondContact O-N 2.86Å; T9-S11 PolarHBondContact O-N 2.95Å
12M37.3Very low34.9Very low152 Ų152142.6 Ų142.675%0.74974%0.744SS**SBendtrans-88.9-13.8-173.2-69.8-170-178.900115.3
13F45.3Very low34.4Very low187 Ų187137.9 Ų137.982%0.8274%0.736SS**SBendtrans-111.39-176.4-69.6-79.1000114.6A15F13-A15 PolarHBondContact O-N 2.69Å; F13-A15 VanDerWaalsContact O-N 3.15Å
14G28.8Very low34.2Very low58 Ų58135.4 Ų135.460%0.59874%0.737SS**  trans-79.288.4178.200000113.9S16G14-S16 PolarHBondContact O-N 3.27Å
15A32.4Very low33.8Very low98 Ų98136.2 Ų136.281%0.8175%0.746SS**  trans-64.9104.6177.100000112.8F13 R17F13-A15 PolarHBondContact O-N 2.69Å; F13-A15 VanDerWaalsContact O-N 3.15Å; A15-R17 PolarHBondContact O-N 3.1Å; A15-R17 VanDerWaalsContact O-N 3.07Å
16S31.8Very low33.1Very low116 Ų116137.4 Ų137.481%0.81176%0.758SS**  trans-72.796176-73.70000112.2G14 K18G14-S16 PolarHBondContact O-N 3.27Å; S16-K18 PolarHBondContact O-N 3.11Å
17R32.6Very low32.7Very low244 Ų244141.4 Ų141.492%0.92177%0.772SS**  trans-71.4105.2164.5-86.3-173.1173.2-177.8-0.4110.4A15A15-R17 PolarHBondContact O-N 3.1Å; A15-R17 VanDerWaalsContact O-N 3.07Å
18K32.3Very low32.4Very low201 Ų201144 Ų14487%0.87478%0.776SS**  trans-80.5126.3159.4-68.7-175178.6-178.80109.4S16S16-K18 PolarHBondContact O-N 3.11Å
19K30.2Very low32Very low204 Ų204146.8 Ų146.889%0.88778%0.783SS**  trans-117.2146157-88.5-164171.6-168.30108.5
20F24.6Very low31.7Very low201 Ų201148.7 Ų148.788%0.88279%0.79SS**  trans-99.5135-177.2-137.6-98.5000110.1
21V30.3Very low31.6Very low123 Ų123149.2 Ų149.275%0.74579%0.788SS**  trans10.7122.6154.8-175.60000118.8
22E27Very low31.2Very low194 Ų194150.5 Ų150.591%0.90779%0.788SS**  -156.8153.1121.4-157157.5-149.900108.6
23G28.1Very low31.1Very low69 Ų69149.9 Ų149.971%0.71178%0.784SS**  trans-146.9146.2-177.200000112.6
24V30.5Very low30.4Very low143 Ų143149.5 Ų149.587%0.86778%0.779SS**  trans-150.5139.9170.9-176.60000108.2
25D30.1Very low30.5Very low157 Ų157155.7 Ų155.784%0.8479%0.785SS**  trans-73.5156.7178.1-54.9-76.4000114.1
26S28.9Very low30.3Very low120 Ų120154.9 Ų154.984%0.83977%0.774SS**  trans-164127.9146.1-171.40000111.6
27D28.6Very low30.2Very low140 Ų140158.3 Ų158.375%0.74978%0.777SS**  trans-71.3155167.8-67.9-64.7000112.8
28Y29.9Very low30.1Very low210 Ų210152 Ų15282%0.82477%0.77SS**  168130.3118-101-79.1000113.7
29H31Very low30.1Very low148 Ų148147.6 Ų147.669%0.68577%0.765SS**  trans1.7155.3147-67.1-44.6000121.9
30D33.6Very low30Very low123 Ų123146.1 Ų146.166%0.65876%0.763SS**  cis-169.5162.61.5-111.2-10.5000115.3
31E32.9Very low30.3Very low144 Ų144145.9 Ų145.967%0.67376%0.762SS**  trans79148.3139.3-77.4-65.2177.300128.2
32N29.6Very low31.1Very low129 Ų129146.3 Ų146.369%0.6977%0.768SS**  trans70.1137.7165.1-71.7-11.7000121.4
33M34.9Very low31.3Very low138 Ų138145.9 Ų145.968%0.6877%0.765SS**  cis-172.9139.8-27.4-111.8-141.2-157.600110.2
34Y30.8Very low31.3Very low180 Ų180153.3 Ų153.371%0.70677%0.772SS**  trans53.1142.8142.6-78.3-114.9000121.4
35Y30.6Very low31.4Very low188 Ų188150 Ų15074%0.73776%0.755SS**  cis-163.9174.3-2-145.4-130.9000113.7
36S27.9Very low31.4Very low81 Ų81150.6 Ų150.657%0.56675%0.753SS**  trans-47.1-175.6174.579.30000119.5
37Q29.4Very low31.5Very low187 Ų187152.3 Ų152.387%0.87475%0.745SS**  cis-165.2-167.3-3.6-134.6177.326.100110.7
38S30.6Very low31.6Very low111 Ų111151.9 Ų151.978%0.77674%0.743SS**  trans-106-178.3-163.1-38.70000117.5
39S32.9Very low31.7Very low110 Ų110149.5 Ų149.577%0.76974%0.741SS**  trans94160.7163.190.80000117.1
40M28Very low31.7Very low172 Ų172149.8 Ų149.885%0.84775%0.747SS**  cis-150.31659.3-114-152.1-61.900111.8
41F31.3Very low31.5Very low196 Ų196148.7 Ų148.786%0.8676%0.755SS**  trans-85.5169163.8-84.1-86.9000112.2
42P45.6Very low31.3Very low133 Ų133147.3 Ų147.386%0.86476%0.761SS**  -140.1176.7120.535-19.9000115.5
43H32.6Very low32.4Very low184 Ų184146.7 Ų146.785%0.85276%0.764SS**  trans-140.9142.3-159.8-153.4-38.6000110.8
44R28.6Very low32.2Very low226 Ų226145.3 Ų145.385%0.85377%0.768SS**  trans144.1165.5160.7-90.3177.1175.4-112.93.3112.1
45S32.6Very low32.2Very low73 Ų73142.7 Ų142.751%0.5177%0.771SS.*  cis177.7147-39.455.20000109.3
46E28.5Very low32.4Very low170 Ų170139.5 Ų139.579%0.79478%0.776SS**  trans67162.1164.5-66.8-174.5133.400117.3
47K31.3Very low32.7Very low156 Ų156138.8 Ų138.868%0.67878%0.782SS**  cis-174.4146.1-22.1167.5172173.6179.90110.9
48D30.4Very low32.9Very low131 Ų131138.3 Ų138.370%0.70178%0.779SS**  trans65.3150.4160.6-63.7-17.8000125.2
49M31.6Very low33Very low160 Ų160140.3 Ų140.379%0.78878%0.78SS**  trans105.592.9149.5-51.8-153.974.300122.8
50L31.7Very low33Very low154 Ų154140 Ų14081%0.80678%0.779SS**  49.7121.1128.1-59.7175000123
51A29Very low33.1Very low100 Ų100139.1 Ų139.183%0.82677%0.772SS**  -176.6142.1109.900000113.7
52S28.9Very low33.1Very low115 Ų115139 Ų13980%0.80477%0.771SS**  trans-96.8-168.9-178.8-47.50000110.9
53P54.1Low32.3Very low116 Ų116136.2 Ų136.275%0.75377%0.767SS**  cis-146.8177.87.844.1-24.1000119.2
54S28.9Very low32.1Very low109 Ų109131.9 Ų131.976%0.76276%0.764SS**  trans138.4140.9141.660.90000112.7
55T31.9Very low32.3Very low125 Ų125126.4 Ų126.477%0.76776%0.76SS**  cis-160142.1-17.717.80000109.1
56S35.4Very low32.2Very low121 Ų121129.7 Ų129.785%0.84677%0.771SS**  trans41.3132.6153.659.20000122
57G34.3Very low32.3Very low66 Ų66132.3 Ų132.368%0.6878%0.775SS**  cis152166.2-4.800000113.8
58Q33.3Very low32.2Very low177 Ų177128 Ų12883%0.82778%0.775SS**  trans73138164.6-55.5-73.1-28.500117.2
59L31.2Very low32.4Very low152 Ų152130 Ų13080%0.79678%0.78SS**  cis-158158.7-6.2179.758.6000111.6
60S32.8Very low32.5Very low105 Ų105129.3 Ų129.373%0.73478%0.775SS**  trans-90.2130.4-170.8-47.20000116.9
61Q31.9Very low32.5Very low153 Ų153127 Ų12772%0.71577%0.772SS**  28.7133.6109.2-17315442.700123.5
62F30.9Very low32.6Very low192 Ų192127.4 Ų127.484%0.84278%0.775SS**  trans86.1141.6150.7-75.9-36.3000124.9
63G28.7Very low32.9Very low75 Ų75130.8 Ų130.877%0.77378%0.783SS**  trans110142.5160.400000114.5
64A29.2Very low31.7Very low94 Ų94128.9 Ų128.978%0.77779%0.785SS**  cis177.1136.3-20.900000107
65S30.8Very low32.2Very low110 Ų110131.9 Ų131.977%0.76979%0.791SS**  trans55.1125.4145-55.30000125.4
66L30.5Very low33.1Very low143 Ų143131.7 Ų131.775%0.74979%0.792SS**  trans83.8147.6130.2-103.866.7000124.2
67Y31.5Very low33Very low225 Ų225134.2 Ų134.288%0.88279%0.793SS**  trans64.5147.2175.3-68-83.7000117.2
68G29.4Very low33Very low66 Ų66141.7 Ų141.768%0.6880%0.8SS**  cis173.8147.5-9.400000113.8
69Q34.6Very low32.9Very low171 Ų171136.5 Ų136.580%0.79979%0.794SS**  trans55.9129.6155.8-79.6-160.1-14.800125.6
70Q33.2Very low32.9Very low147 Ų147136.6 Ų136.669%0.68779%0.792SS**  86.1118.6129.4-75.6-164.863.500124.7
71S31.9Very low32.8Very low105 Ų105136.7 Ų136.773%0.73479%0.793SS**  73118126.6-55.60000122.6
72A30.4Very low32.8Very low108 Ų108135.9 Ų135.989%0.89379%0.793SS**  -177.8153118.800000114.7
73L35.8Very low32.9Very low186 Ų186133.1 Ų133.197%0.97479%0.787SS**  trans-73.5159.7-173-61156.3000115.6
74G29.1Very low33.2Very low77 Ų77135.5 Ų135.579%0.79479%0.787SS**  trans174.5106.7161.500000117.2
75L39.3Very low34.1Very low172 Ų172137 Ų13790%0.90179%0.789SS**  trans-113.5147.3158.8-80.2172.9000107
76P51.3Low34.4Very low120 Ų120139.8 Ų139.878%0.77979%0.79SS**  -156154.580.339.3-18.2000119.7
77M33.6Very low34.5Very low174 Ų174141 Ų14186%0.85780%0.797SS**  trans17130.5138.3-80.3-71.1-167.300124.6
78R34.4Very low34.6Very low224 Ų224136.7 Ų136.785%0.84579%0.789SS**  93129.5122.9-163.6-177.7-163.8-178.86122.7
79G29.6Very low34.8Very low67 Ų67144.4 Ų144.469%0.69180%0.797SS**  trans154.3122156.200000110.3
80M32.7Very low34.7Very low155 Ų155141 Ų14176%0.76479%0.792SS**  cis110.8110.734.4-90.1168.65500112.5
81S30.3Very low34.6Very low107 Ų107141.4 Ų141.475%0.74880%0.798SS**  trans60.1141.6153.2-580000120
82N32Very low34.7Very low135 Ų135140.5 Ų140.572%0.72279%0.792SS**  -172.3157.755.1-125.8-6.4000115.3
83N32.5Very low34.9Very low134 Ų134145 Ų14572%0.71780%0.795SS**  trans65114.9145.1-65.4-16.3000126
84T35.4Very low34.6Very low126 Ų126139.2 Ų139.277%0.77378%0.779SS**  trans-57.2165.8142.4410000113.9
85P47.3Very low34.8Very low126 Ų126142.2 Ų142.282%0.81878%0.782SS**  cis-149176.549.141.8-19.6000120.5
86Q37.8Very low34.4Very low168 Ų168141.7 Ų141.779%0.78578%0.775SS**  trans-76.1160.9176.8-64-135.7-31.200114.5
87L32.2Very low33.4Very low169 Ų169142.9 Ų142.989%0.88577%0.774SS**  trans-144.4149.9137.2-96.1-177.7000111.7
88N34Very low34Very low134 Ų134139.9 Ų139.972%0.71777%0.768SS**  trans-133.8143.5-173.1-174.910.2000108.6
89R33.9Very low33.9Very low228 Ų228134.3 Ų134.386%0.8676%0.763SS**  trans-161.7138.3166.4-137.2176.4-74.7-145.92.4114
90S31.3Very low34.1Very low99 Ų99140 Ų14069%0.69277%0.772SS**  trans-113.6163.2176.849.60000111.4
91L31.5Very low34.2Very low156 Ų156137.9 Ų137.982%0.81777%0.767SS**  156.3143.6115-14774.4000115.9
92S34.3Very low34.5Very low86 Ų86138.9 Ų138.960%0.60177%0.769SS**  trans66.2125.7141.752.10000126.4
93Q33.8Very low35.6Very low203 Ų203138 Ų13895%0.94977%0.77SS**  49.5149.5129.3-62.3174.8-14.400121.8
94G30.5Very low35.5Very low63 Ų63137.6 Ų137.665%0.64977%0.773SS**  cis168.1175.8-3.100000113.5
95T32.2Very low35.5Very low140 Ų140138 Ų13886%0.85978%0.776SS**  trans62.5161.1164.346.70000121.3
96Q31Very low34.8Very low161 Ų161135 Ų13575%0.75277%0.768SS**  cis-171.4140.4-46.4-119-163.317.600112.1
97L31.1Very low34.7Very low145 Ų145134.1 Ų134.176%0.75977%0.773SS**  trans62172.6152.7-64.8176.2000120.2
98P46.8Very low35.4Very low112 Ų112131.3 Ų131.373%0.72777%0.765SS**  cis-137.9155.83.339.8-20.1000120.7
99S31.5Very low35.4Very low106 Ų106131.7 Ų131.774%0.74177%0.773SS**  trans15.7146146.765.20000127.9
100H34.5Very low35.3Very low187 Ų187129.3 Ų129.387%0.86677%0.773SS**  trans-151.2160.5135.6-151.5-88.2000112.2
101V34.7Very low35.4Very low110 Ų110130.5 Ų130.567%0.66778%0.781SS**  trans-145.2162.3-166.7-158.80000114.5
102T36.8Very low35.5Very low129 Ų129132 Ų13279%0.79179%0.789SS**  trans91.3159.6159.572.60000119.4
103P54.7Low35.6Very low115 Ų115135 Ų13575%0.74779%0.794SS**  -142.5172.5-67.742-25.2000116.1
104T31Very low35.8Very low127 Ų127131.2 Ų131.278%0.77978%0.784SS**  trans160.8135.5130.2-164.60000116.2
105T34.9Very low36.5Very low135 Ų135133.6 Ų133.683%0.82879%0.788SS**  trans26.3136.5148.4-34.40000122.5
106G32.5Very low36.9Very low63 Ų63132.3 Ų132.365%0.64978%0.783SS**  cis166.5171.3-600000115.2
107V36.8Very low37.1Very low149 Ų149130.3 Ų130.390%0.90379%0.786SS**  trans70.2151.7164.1-82.70000121.3
108P45.4Very low38Very low109 Ų109129.5 Ų129.571%0.70879%0.79SS**  -137.3176.5-127.245.3-28.9000117.8
109T34.5Very low37.5Very low143 Ų143129.8 Ų129.888%0.87779%0.794SS**  trans-139.6156.1149.963.20000111.7
110M32.1Very low37.8Very low178 Ų178136.6 Ų136.688%0.87780%0.804SS**  trans-100.8140.9-170.6-69.5-79.3-16900112.8
111S33.4Very low37.7Very low123 Ų123131.4 Ų131.486%0.8680%0.801SS**  trans-137.1126158.7-76.80000109.8
112L32.4Very low37.8Very low188 Ų188133.3 Ų133.398%0.98481%0.805SS**  trans-85.2127.7-169.8-152.973.5000111.1
113H36.1Very low37.7Very low150 Ų150134.8 Ų134.869%0.69481%0.808SS**  trans-107.4147.1177.4128.1111.4000111.1
114T37.9Very low37.2Very low123 Ų123135.1 Ų135.176%0.75581%0.81SS**PPolyproline II helixtrans-80.5130.5177.9380000112.1
115P45.7Very low37.4Very low112 Ų112138.1 Ų138.173%0.72782%0.817SS**PPolyproline II helixtrans-83.4146.917932.9-34.4000112.7
116P40.9Very low37.5Very low114 Ų114138 Ų13874%0.7481%0.812SS**PPolyproline II helixtrans-87160.717335.4-34.8000113.2
117S35.2Very low38Very low118 Ų118140.9 Ų140.983%0.82582%0.819SS**PPolyproline II helixtrans-69.1147.1-178-41.50000114.8
118P50.9Low38Very low129 Ų129144 Ų14484%0.83882%0.815SS**PPolyproline II helixtrans-101.8144.6160.535.6-28.9000112.6
119S35.7Very low37.5Very low117 Ų117145.5 Ų145.582%0.81882%0.816SS**  trans-105.5155.4175.3-730000112.4
120R37.1Very low37.4Very low249 Ų249146.3 Ų146.394%0.9481%0.812SS**  trans85.2111172-65.6-176.6163.5174.4-4.2118.3
121G32.3Very low37.4Very low78 Ų78146.3 Ų146.380%0.80481%0.812SS**  trans-147.4145.2152.200000108.2
122I36.6Very low37.3Very low150 Ų150147.8 Ų147.877%0.76981%0.81SS**  trans-132.5139.6-167.5-89175.8000110.2
123L35.8Very low37.3Very low161 Ų161147 Ų14784%0.84380%0.801SS**  trans71.7160.7177.5-60.5177.1000117.9
124P43.5Very low37.1Very low121 Ų121144.3 Ų144.379%0.78680%0.8SS**  cis-125.7169.4-15.523.6-1.5000114.9
125M35.7Very low36.9Very low191 Ų191146.9 Ų146.994%0.94180%0.803SS**  trans-92.9128.9168.4-87.5-81.1-179.700111.8
126N37.5Very low36.2Very low133 Ų133148.3 Ų148.371%0.71181%0.809SS**  trans165.2147.4133.4-152.99.2000108.5R128N126-R128 PolarHBondContact OD1-N 3.32Å
127P42.1Very low35.8Very low123 Ų123145.7 Ų145.780%0.79980%0.803SS**  -142158.39136.7-21.8000115.2
128R37.8Very low35.8Very low215 Ų215150 Ų15081%0.81181%0.81SS**  trans-118.2167.4165.8-101.4-168.5-179.5179.91.5110.2N126N126-R128 PolarHBondContact OD1-N 3.32Å
129N34.3Very low34.9Very low139 Ų139147.1 Ų147.174%0.74380%0.804SS**  trans86.3138.4169.6-64.11000115.2
130M33.4Very low34.9Very low160 Ų160150.1 Ų150.179%0.78881%0.809SS**  cis-145.6164.9-0.7-103.3143.775.700107.5
131M30.5Very low34.6Very low179 Ų179141.8 Ų141.888%0.88280%0.801SS**  -172158.860.1-163.3161.9-17100110.8
132N32.8Very low34.8Very low153 Ų153145.9 Ų145.982%0.81880%0.802SS**  trans-143.1149.7178-1699.2000111.6
133H32.3Very low35.6Very low172 Ų172144.5 Ų144.580%0.79680%0.803SS**  trans-155.3131.9174.6-16174000105.4
134S31.2Very low35.4Very low94 Ų94141.4 Ų141.466%0.65780%0.795SS**  cis-150.8-174.631.251.50000114
135Q33.8Very low34.9Very low176 Ų176147 Ų14782%0.82280%0.8SS**  trans-58.9163.7-176-58.7149.4-15.500113.9
136V31.8Very low34.7Very low143 Ų143143 Ų14387%0.86779%0.787SS**  cis-154163.437.9176.20000108.3
137G31.2Very low34.5Very low58 Ų58144.6 Ų144.660%0.59880%0.795SS**  cis147.9152.3-4.300000112.7
138Q36.5Very low34Very low209 Ų209143.4 Ų143.498%0.97779%0.79SS**  trans65.9151.6-168.4-45.4-163.913.100114.3
139G31.4Very low33.8Very low69 Ų69141.3 Ų141.371%0.71179%0.792SS**  cis146.8146-1.100000110.1
140I35.1Very low33.5Very low179 Ų179140.1 Ų140.192%0.91880%0.795SS**  cis-154.3143.7-5.5-67.1174.7000108.2
141G30.6Very low33.5Very low75 Ų75138 Ų13877%0.77380%0.795SS**  trans112.7128.1143.500000120.4
142I37.2Very low33.8Very low164 Ų164135.5 Ų135.584%0.84180%0.795SS**  trans-107.7-178.1169.10.5175.7000108.2
143P53.8Low33.7Very low121 Ų121132 Ų13279%0.78680%0.795SS**  cis-143.9173.121.941.4-19.5000120
144S31Very low33.9Very low96 Ų96132.7 Ų132.767%0.67180%0.804SS**  trans-42.7151.7167.8-36.80000120
145R33.3Very low33.8Very low237 Ų237132 Ų13289%0.89481%0.811SS**  trans-150.1129.5136-61.2-167.2178.7-163.4-2.8106.9
146T31.8Very low33.9Very low109 Ų109129.3 Ų129.367%0.66981%0.812SS**  cis61.59748.871.90000115.1
147N31.9Very low34.8Very low165 Ų165127.7 Ų127.788%0.88281%0.805SS**  -175.8160.7111.8-95.6-2.1000113.9
148S33Very low35Very low99 Ų99132.1 Ų132.169%0.69282%0.815SS**  trans-114.1170.6-175.850.60000112.4
149M32.3Very low34.7Very low170 Ų170133.3 Ų133.384%0.83781%0.81SS**  trans112.6141.4149.6-64.5-164.1161.100119.5
150S28.9Very low34.7Very low115 Ų115134.9 Ų134.980%0.80481%0.81SS**  trans66.1147153.741.30000118.6
151S34.3Very low34.6Very low114 Ų114131.4 Ų131.480%0.79780%0.802SS**  cis-158.2161.6-141.90000112.6
152S35.8Very low35.5Very low127 Ų127134 Ų13489%0.88881%0.805SS**  trans-31.2147.2167.4-39.30000118.4
153G30.1Very low35.5Very low79 Ų79131.1 Ų131.181%0.81480%0.799SS**  trans-163110.9163.500000112.4
154L36.8Very low34.8Very low188 Ų188133.1 Ų133.198%0.98480%0.802SS**  trans-80.3148.8176.4-78.5137.6000111.6
155G30.2Very low35Very low78 Ų78135.6 Ų135.680%0.80481%0.806SS**  trans172.990.3169.600000117
156S35.3Very low34.8Very low120 Ų120129.6 Ų129.684%0.83980%0.799SS**  trans-118.6160.5157.2-75.20000107.5
157P51.3Low35.1Very low110 Ų110132.6 Ų132.671%0.71481%0.807SS**  cis-146.2178.126.742-22000118.4
158N33.6Very low36.2Very low151 Ų151129.4 Ų129.481%0.80780%0.796SS**  trans52.4120.4148.7-77.6-16.3000121.8
159R32.1Very low36.1Very low233 Ų233133.2 Ų133.288%0.87980%0.8SS**  -175.2144.3109.3-107.2175.2-176.4-108.52.3116
160S30.8Very low36.1Very low102 Ų102133.2 Ų133.271%0.71380%0.798SS**  trans71.8120.2144.6-55.20000122.2
161S33.3Very low36.3Very low107 Ų107135.7 Ų135.775%0.74880%0.797SS**  trans-72.6176.6158.4-31.30000113
162P48.3Very low36.7Very low129 Ų129136.5 Ų136.584%0.83880%0.8SS**  -121152.2128.935.6-30.6000113.2
163S38.6Very low36.3Very low103 Ų103135.1 Ų135.172%0.7279%0.79SS**  trans-119.8-161.3172.9-55.50000109.6
164I39.2Very low36.4Very low164 Ų164143.4 Ų143.484%0.84180%0.797SS**  trans93.5120.7168.6-57.2171.3000110.8
165I34.7Very low36.1Very low148 Ų148142.3 Ų142.376%0.75979%0.786SS**  cis-144.6138.227.9-56.9179.4000108.3
166C28.9Very low36.1Very low111 Ų111144 Ų14475%0.7578%0.783SS**  74.5146.660.1-91.60000116.2
167M37.8Very low35.7Very low171 Ų171147.7 Ų147.784%0.84278%0.784SS**  cis-138.7-99.1-12.6-149.9-168179.200116.2
168P54.4Low34.8Very low99 Ų99148.7 Ų148.764%0.64379%0.789SS**  trans-146.1-178.9-136.341-17.6000122.6
169K31.4Very low34.5Very low178 Ų178147.8 Ų147.877%0.77479%0.788SS**  trans89.1142.6159.7-70.6-176.2174.3178.60117.2
170Q31.6Very low34.4Very low170 Ų170143.4 Ų143.479%0.79478%0.782SS**  cis-149.8150.99.9-139.2161.31.100113.6
171Q34Very low34.1Very low168 Ų168144 Ų14479%0.78579%0.787SS**  trans-94.3167.6169.9-109.4-178.1-5.300111.1
172P42.8Very low33.9Very low131 Ų131146.7 Ų146.785%0.85179%0.789SS**  -133.5163103.529.6-14.8000115.5
173S27.8Very low33Very low98 Ų98146.3 Ų146.369%0.68579%0.79SS**  trans-85.1151.1-165.354.10000116.9
174R31.3Very low32.5Very low253 Ų253144.5 Ų144.596%0.95579%0.788SS**  trans-140.5157.3142.5-92.1-164.4167.7-169.5-4.8112.2
175Q31.1Very low32.1Very low165 Ų165145.7 Ų145.777%0.77179%0.787SS**  trans-73.6156.8-161.5-64.9-71.7-6.100115
176P30.6Very low31.7Very low114 Ų114142.1 Ų142.174%0.7479%0.787SS**  trans-79.8131.4171.332.9-32.3000111.7
177F27.2Very low31.9Very low196 Ų196145.3 Ų145.386%0.8679%0.793SS**  trans-97.4113.7167.2-86.7-82.7000110.4
178T30.8Very low31.3Very low131 Ų131144.7 Ų144.780%0.80479%0.793SS**  trans-80.4128.8159.5490000109.4
179V29Very low30.3Very low132 Ų132150.9 Ų150.980%0.880%0.803SS**  trans-124110.1165.8-177.70000108.8
180N28Very low30.2Very low141 Ų141149.4 Ų149.475%0.75480%0.804SS**  trans-77148.3166.7-75.8-13.8000110
181S26.4Very low30.2Very low115 Ų115150.1 Ų150.180%0.80481%0.807SS**  trans16.9112.4150.2-530000118.9
182M27.6Very low29.8Very low163 Ų163145.6 Ų145.680%0.80380%0.799SS**  trans-115103.8150-84.7-175.571.500110.7F185M182-F185 HydrophobicContact CE-CE2 4.09Å
183S30.1Very low29.3Very low121 Ų121149.6 Ų149.685%0.84680%0.803SS**  trans-82139.2156.9-61.90000108.9
184G27.1Very low29.2Very low66 Ų66148.3 Ų148.368%0.6881%0.805SS**  trans100.6102.9161.400000116.2
185F31.2Very low29Very low188 Ų188145.6 Ų145.683%0.82581%0.806SS**  trans-130.5117.1139.9-95.3-83000107.9M182M182-F185 HydrophobicContact CE-CE2 4.09Å
186G27.3Very low29Very low73 Ų73145.1 Ų145.175%0.75381%0.809SS**  trans-94.4129.6171.700000109.9N188G186-N188 PolarHBondContact O-N 3.06Å
187M32.4Very low28.8Very low179 Ų179147.6 Ų147.688%0.88282%0.816SS**  trans-80102.6165.5-95.965.3178.500108.9R189M187-R189 PolarHBondContact O-N 3.43Å
188N26.4Very low29Very low157 Ų157142.4 Ų142.484%0.8480%0.804SS**  trans-70.2118.8164.7-168.4-0000108.3G186G186-N188 PolarHBondContact O-N 3.06Å
189R32.4Very low29Very low230 Ų230144.5 Ų144.587%0.86881%0.809SS**  trans-118.2111.6-178-170.5-176.4-154.1178.18.3109.1M187M187-R189 PolarHBondContact O-N 3.43Å
190N28.4Very low29Very low146 Ų146143 Ų14378%0.78181%0.805SS**  trans-121.4151.1165-106.7-9.4000111.3
191Q31.5Very low29.1Very low185 Ų185141.8 Ų141.886%0.86481%0.807SS**  trans-70.5163-173.8-64.3160.3-34.700110.9
192A27Very low29.2Very low74 Ų74143.3 Ų143.361%0.61281%0.806SS**  -173.3171.259.900000114
193F31.3Very low29.4Very low214 Ų214143.4 Ų143.494%0.93981%0.808SS**  trans67.3120.5173.7-49.4-76.5000116.6
194G25.7Very low29.4Very low71 Ų71147 Ų14773%0.73281%0.809SS**  cis140.3108.9-11.800000113.2
195M27.8Very low29.5Very low197 Ų197151.3 Ų151.397%0.9782%0.817SS**  trans-158.3124.2158-105.6149.2-17300109.3
196N30.5Very low29.5Very low154 Ų154145 Ų14582%0.82480%0.804SS**  trans-88.9147.7-176.2-80-44.6000111.5
197N27.5Very low29.7Very low166 Ų166147.9 Ų147.989%0.88881%0.807SS**  trans-152.583.4143.2-133.3-3.2000110
198S30.1Very low29.7Very low88 Ų88147.3 Ų147.362%0.61581%0.808SS**  trans-114.2111.3173.957.10000109.1S200S198-S200 PolarHBondContact O-N 3Å
199L31.2Very low30Very low174 Ų174142.8 Ų142.891%0.91180%0.798SS**  trans-74.3111.5170.7-73.1169.6000109
200S30.1Very low30Very low101 Ų101137.9 Ų137.971%0.70680%0.799SS**  trans-80.2117.3179-61.70000111.2S198 N202S198-S200 PolarHBondContact O-N 3Å; S200-N202 PolarHBondContact O-N 3.15Å
201S28.5Very low30.4Very low116 Ų116139.2 Ų139.281%0.81180%0.801SS**  trans-83.889.7165.157.80000110.2
202N29.2Very low30.5Very low147 Ų147137.2 Ų137.279%0.78680%0.796SS**  trans-146.1119.6167.8-93-34.6000108.8S200S200-N202 PolarHBondContact O-N 3.15Å
203I32.7Very low31Very low164 Ų164140.5 Ų140.584%0.84181%0.808SS**  trans176.9106.4145.5-89.7148.5000107.1
204F28.6Very low31.4Very low198 Ų198136.8 Ų136.887%0.86880%0.803SS**  -16490118.6-136-86.9000110.8
205N29.6Very low32.1Very low156 Ų156137 Ų13783%0.83481%0.805SS**  trans-138.2116.7150.5-175.361.2000105.9
206G30.3Very low32.8Very low54 Ų54135.7 Ų135.756%0.55780%0.801SS**  trans-91.7140.7-170.100000112.6
207T32.5Very low33.5Very low134 Ų134134 Ų13482%0.82279%0.792SS**  trans-172.3152.3148.8280000108.7
208D31.7Very low34.7Very low168 Ų168133.7 Ų133.790%0.89879%0.79SS**  trans72.8148.1167.9-146.1-19.4000115.8
209G32.9Very low35.9Very low62 Ų62133.9 Ų133.964%0.63979%0.791SS**  trans-139.7147.6-168.500000113.1
210S32.6Very low36.6Very low127 Ų127132.2 Ų132.289%0.88878%0.783SS**  trans-161.9156.1157.435.20000109
211E37.1Very low37.4Very low174 Ų174135.4 Ų135.481%0.81379%0.785SS**  trans-91.7167.6-156.1-56.6176.9145.900114.3
212N34.5Very low38.3Very low142 Ų142135.8 Ų135.876%0.75978%0.784SS**  trans78.687155.8-53.5-47.1000119.3
213V36.7Very low39Very low143 Ų143133.5 Ų133.587%0.86779%0.786SS**  trans-133.5138.2132.5-179.70000109.4
214T40.8Very low39.3Very low136 Ų136134.2 Ų134.283%0.83479%0.79SS**  trans-44.4133.7-177.650.20000115.5
215G40.2Very low39.7Very low75 Ų75129.2 Ų129.277%0.77379%0.785SS**  trans-87.1170.4-175.300000116.4
216L41.1Very low39.8Very low171 Ų171129.6 Ų129.690%0.89579%0.788SS**  trans-123.5138159.1-69.1172.9000107.1
217D46.7Very low40Very low117 Ų117138.6 Ų138.663%0.62681%0.805SS**  trans-75.2132.4-175.3-163.9-30.9000110.9S219D217-S219 WeakPolarHBondContact OD1-CB 3.49Å; D217-S219 PolarHBondContact OD1-N 3.2Å; D217-S219 PolarHBondContact OD1-OG 3.31Å; D217-S219 PolarHBondContact OD2-OG 2.95Å
218L52.2Low40Very low161 Ų161139.4 Ų139.484%0.84380%0.804SS**SBendtrans-90.91.5-178.4-77.6163.7000113.2
219S55.1Low40Very low92 Ų92143.4 Ų143.464%0.64381%0.807SS**THydrogen-bonded Turntrans-83.6-10179.359.90000115.1D217 F221D217-S219 WeakPolarHBondContact OD1-CB 3.49Å; D217-S219 PolarHBondContact OD1-N 3.2Å; D217-S219 PolarHBondContact OD1-OG 3.31Å; D217-S219 PolarHBondContact OD2-OG 2.95Å; S219-F221 PolarHBondContact O-N 3.44Å
220D46.1Very low40.1Very low138 Ų138152 Ų15274%0.73882%0.82SS**THydrogen-bonded Turntrans-83-1.9-178.8-94.2-21.1000115.3
221F46.7Very low40Very low169 Ų169155.5 Ų155.574%0.74182%0.822SS**SBendtrans-114.3118.1-179-78.3-86.3000113.1S219 A223S219-F221 PolarHBondContact O-N 3.44Å; F221-A223 PolarHBondContact O-N 2.85Å
222P46.8Very low39.7Very low123 Ų123151 Ų15180%0.79982%0.822SS**  trans-73.8100.1177.129.1-33.2000111.1L224P222-L224 PolarHBondContact O-N 2.81Å
223A44.6Very low39.6Very low99 Ų99150.5 Ų150.582%0.81883%0.83SS**  trans-75.7111.9179.100000112.3F221 A225F221-A223 PolarHBondContact O-N 2.85Å; A223-A225 PolarHBondContact O-N 3.11Å
224L39.2Very low39.2Very low179 Ų179147.3 Ų147.394%0.93783%0.826SS**  trans-89.687167.5-75.3174.1000111P222P222-L224 PolarHBondContact O-N 2.81Å
225A37.1Very low38.8Very low93 Ų93148.9 Ų148.977%0.76983%0.829SS**  trans-166.4123.115400000111.3A223A223-A225 PolarHBondContact O-N 3.11Å
226D30.8Very low38.8Very low165 Ų165151 Ų15188%0.88283%0.829SS**  trans-142.797.1152.6-128.4-26.3000110.4
227R34.7Very low38.5Very low243 Ų243149.4 Ų149.492%0.91783%0.827SS**  trans-14275.7170.5-156.1176.9-168.4-172.23.1111.2
228N33.4Very low38.2Very low151 Ų151149.8 Ų149.881%0.80784%0.836SS**  trans35.3114.1150.6-78.7-31.5000119
229R31.7Very low37.2Very low251 Ų251149.6 Ų149.695%0.94784%0.835SS**  trans-125.7114151.4-164179.1-172.5-174.32.4109.1
230R33.9Very low36Very low244 Ų244152.8 Ų152.892%0.92184%0.843SS**  trans-145.4129.7169.6-101.5-170.3178.8-165.30.8109.5
231E31.8Very low35.4Very low199 Ų199153 Ų15393%0.9384%0.844SS**  trans-100.2147.3160.1-70-179153.400108.7
232G30.1Very low35.5Very low80 Ų80149.9 Ų149.983%0.82584%0.841SS**  trans161116.6179.900000112.5
233S31.1Very low34.8Very low132 Ų132151.9 Ų151.992%0.92384%0.844SS**  trans-67.7140.6-174.3520000115.5
234G30Very low34.2Very low75 Ų75152 Ų15277%0.77385%0.845SS**  trans168138.9164.600000114.7
235N31.8Very low33.8Very low170 Ų170147 Ų14791%0.90984%0.837SS**  trans-65.1154.9-178.4-80.6-14.8000114.5
236P40.2Very low33.7Very low118 Ų118154.3 Ų154.377%0.76684%0.844SS**  trans-102.8134.8170.136.5-29.4000114.2
237T33.7Very low33.6Very low138 Ų138150.6 Ų150.685%0.84784%0.837SS**  trans-144.6132.6151.941.80000108.9
238P42.2Very low34.3Very low126 Ų126144.5 Ų144.582%0.81883%0.828SS**  trans-97.1139.9-176.235.2-32.2000113.3
239L30.2Very low34.1Very low157 Ų157147.6 Ų147.682%0.82283%0.83SS**  trans-138.2113.2167.4-82.1172.7000112
240I30.5Very low34.2Very low158 Ų158142 Ų14281%0.8182%0.824SS**  trans43125.9131.2-56.1174.8000120
241N33Very low34.2Very low144 Ų144133.5 Ų133.577%0.7781%0.813SS**  trans-45.1172.8164.7-140.328.8000114.5
242P48.6Very low34.5Very low103 Ų103131.8 Ų131.867%0.66981%0.807SS**  cis-155.1-177.225.543.5-20.1000121
243L31.6Very low34.7Very low164 Ų164134.3 Ų134.386%0.85981%0.806SS**  trans96.9110.9134.8-160.571.9000122.5
244A33.2Very low35.2Very low102 Ų102133.6 Ų133.684%0.84380%0.796SS**  trans152.5137133.400000111.7
245G30.9Very low35.4Very low74 Ų74139.2 Ų139.276%0.76380%0.799SS**  cis174.9129.9-14.700000113.7
246R33.4Very low35.8Very low246 Ų246137.3 Ų137.393%0.92880%0.796SS**  trans55.2130.4170.3-65.7-175.6174.1-104.21.6119
247A30.7Very low35.4Very low88 Ų88136.6 Ų136.673%0.72780%0.8SS**  cis90.4148.632.700000114.7
248P47.9Very low35.4Very low114 Ų114137.8 Ų137.874%0.7480%0.801SS**  cis-144.2174.81543.9-25.3000119.6
249Y30.3Very low35Very low216 Ų216140.7 Ų140.785%0.84780%0.804SS**  trans65.5144.2151.1-102.7-119.1000119.9
250V34.1Very low35.3Very low133 Ų133141.8 Ų141.881%0.80681%0.805SS**  cis-141.7144.633.1-167.90000113
251G33Very low35.9Very low67 Ų67139.5 Ų139.569%0.69180%0.803SS**  trans89.878.8138.600000120.9
252M38Very low36.3Very low163 Ų163141.6 Ų141.680%0.80381%0.808SS**  trans-121.4141.3145.8-70.7-157.685.500110T254M252-T254 HydrophobicContact CE-CG2 4.25Å
253V33.9Very low35.8Very low133 Ų133143.4 Ų143.481%0.80681%0.812SS**  trans-13390.3157.4-179.80000108.3
254T42.9Very low36.2Very low117 Ų117145.5 Ų145.572%0.71881%0.814SS**  trans-95.2125.5155.542.70000107.6M252M252-T254 HydrophobicContact CE-CG2 4.25Å
255K33.7Very low36.9Very low193 Ų193144.6 Ų144.684%0.83980%0.802SS**  trans-110.6133.6168.6-92.4-174173.3-179.50108.8
256P40.2Very low38.4Very low129 Ų129148.1 Ų148.184%0.83880%0.802SS**  trans-85139.9172.933.9-32000110.5
257A32.5Very low39.3Very low103 Ų103143.2 Ų143.285%0.85179%0.789SS**  trans-147.2126.2162.600000110.3
258N33.8Very low40.3Very low164 Ų164146.8 Ų146.888%0.87780%0.796SS**  trans-64.3123.5176.2-173.150.5000111.6
259E33.8Very low40.8Very low186 Ų186149.9 Ų149.987%0.86980%0.801SS**  trans-158.3162.2154-126167.1-149.800112.2
260Q36.5Very low42Very low180 Ų180146.4 Ų146.484%0.84180%0.797SS**  trans-76.5151.4-160-74155-53.800114.5Q262Q260-Q262 PolarHBondContact O-N 2.8Å
261S42.4Very low43Very low110 Ų110149 Ų14977%0.76980%0.798SS**  trans-54.8113168480000111.9
262Q40.7Very low44.4Very low188 Ų188151.8 Ų151.888%0.87980%0.803SS**  trans-95.8100.2157.6-73.9-169.6-11.700108.8Q260Q260-Q262 PolarHBondContact O-N 2.8Å
263D37.9Very low44.8Very low141 Ų141148.9 Ų148.975%0.75481%0.805SS**  trans-64.3134.4165.1-87.9-56.6000110.3S265D263-S265 VanDerWaalsContact C-N 3.27Å; D263-S265 PolarHBondContact O-N 3.09Å
264F40.2Very low45.4Very low208 Ų208150 Ų15091%0.91281%0.806SS**  trans-73.279.1171.2-97.2-92.4000110.7I266F264-I266 PolarHBondContact O-N 2.91Å
265S48.6Very low45.2Very low84 Ų84150.7 Ų150.759%0.58781%0.812SS**  trans-85.593.5168.4-72.70000111.2D263 H267D263-S265 VanDerWaalsContact C-N 3.27Å; D263-S265 PolarHBondContact O-N 3.09Å; S265-H267 PolarHBondContact O-N 3.21Å; S265-H267 VanDerWaalsContact O-N 3.13Å; S265-H267 PolarHBondContact O-ND1 3.11Å
266I62Low45.2Very low147 Ų147145 Ų14575%0.75481%0.808SS**  trans-63.6112.3170.5-60.9172.7000108.4F264F264-I266 PolarHBondContact O-N 2.91Å
267H51.2Low45Very low144 Ų144143.7 Ų143.767%0.66780%0.802SS**  trans-91.1146.9171.4-73.960.8000109.6S265 E269S265-H267 PolarHBondContact O-N 3.21Å; S265-H267 VanDerWaalsContact O-N 3.13Å; S265-H267 PolarHBondContact O-ND1 3.11Å; H267-E269 PolarHBondContact O-N 3.25Å
268N53.2Low45Very low162 Ų162144.7 Ų144.787%0.86680%0.803SS**THydrogen-bonded Turntrans-66.918.2-166.5-78.3-7.6000117.3
269E58.8Low45Very low179 Ų179147.1 Ų147.184%0.83680%0.801SS**THydrogen-bonded Turntrans-120-3.6-175.4-62.6-71.2144.500113.5H267 F271H267-E269 PolarHBondContact O-N 3.25Å; E269-F271 PolarHBondContact O-N 3.1Å; E269-F271 VanDerWaalsContact O-N 3.11Å
270D54.6Low44.9Very low143 Ų143148 Ų14877%0.76580%0.802SS**  trans-88.244.1-177.5-159.523.5000113.5
271F55.7Low44.5Very low189 Ų189147.2 Ų147.283%0.82980%0.804SS**SBendtrans-139.1124.2167.5-99.2-88.3000109.7E269 A273E269-F271 PolarHBondContact O-N 3.1Å; E269-F271 VanDerWaalsContact O-N 3.11Å; F271-A273 PolarHBondContact O-N 2.95Å; F271-A273 VanDerWaalsContact O-N 3.15Å
272P61.6Low44.5Very low125 Ų125146.9 Ų146.981%0.81280%0.799SS**PPolyproline II helixtrans-65.9117.5177.926.2-32.9000110.4L274P272-L274 PolarHBondContact O-N 3.41Å
273A47Very low44Very low101 Ų101144.4 Ų144.484%0.83580%0.797SS**PPolyproline II helixtrans-62.2130.4-17300000113.1F271F271-A273 PolarHBondContact O-N 2.95Å; F271-A273 VanDerWaalsContact O-N 3.15Å
274L46.7Very low43.6Very low158 Ų158143 Ų14383%0.82780%0.798SS**PPolyproline II helixtrans-69.7146.2166.6-67.4169000109.9P272 G276P272-L274 PolarHBondContact O-N 3.41Å; L274-G276 PolarHBondContact O-N 2.71Å; L274-G276 VanDerWaalsContact O-N 3.1Å
275P37.3Very low43.1Very low130 Ų130137.8 Ų137.884%0.84479%0.787SS**PPolyproline II helixtrans-62116.1179.225.2-33.4000110.4
276G34.6Very low42.2Very low73 Ų73140.6 Ų140.675%0.75380%0.796SS**PPolyproline II helixtrans-70.9141.3-160.500000115.8L274L274-G276 PolarHBondContact O-N 2.71Å; L274-G276 VanDerWaalsContact O-N 3.1Å
277S36.5Very low40.7Very low102 Ų102140.1 Ų140.171%0.71380%0.795SS**PPolyproline II helixtrans-84.7125.7156.645.20000109.7Y279S277-Y279 PolarHBondContact O-N 3.28Å
278S32.2Very low39.8Very low124 Ų124140.2 Ų140.287%0.86780%0.8SS**  trans-70.3109.8-174-49.80000112.7
279Y33.1Very low38.9Very low216 Ų216138.1 Ų138.185%0.84780%0.798SS**  trans-103.1129.7158.8-81.3-90.3000109.7S277S277-Y279 PolarHBondContact O-N 3.28Å
280K32.4Very low37.8Very low205 Ų205139.3 Ų139.389%0.89180%0.801SS**  trans-126.5127.7166.5-83.3-170.2173.2-173.20108.1
281D27.6Very low36.8Very low162 Ų162138.1 Ų138.187%0.86680%0.804SS**  trans-113.1156.1160.1-132.26.9000108.1
282P43.3Very low35.6Very low104 Ų104136.7 Ų136.768%0.67580%0.804SS**  trans-95.1147.5-156.135.7-37000114.5
283T29.1Very low34.2Very low136 Ų136138.6 Ų138.683%0.83481%0.807SS**  trans-174.9156.4138.615.70000111.3
284S30.4Very low33.3Very low110 Ų110140.7 Ų140.777%0.76980%0.804SS**  trans58.9102.1178.757.30000116.4
285S28.4Very low32.5Very low99 Ų99140 Ų14069%0.69281%0.806SS**  83.49264.472.70000114.9
286N30.8Very low32.4Very low143 Ų143139.7 Ų139.777%0.76581%0.808SS**  169.3143.8110-85.4-1.6000113.6
287D31.3Very low32.1Very low138 Ų138140 Ų14074%0.73881%0.811SS**  trans46.9128153.9-66.1-18.2000124.5
288D31.7Very low32Very low145 Ų145145 Ų14578%0.77582%0.82SS**  trans45.3111.9134.9-70.5-22.5000120.7
289S34.2Very low31.7Very low118 Ų118145.6 Ų145.683%0.82582%0.819SS**  -176.915393.8-82.80000114.1
290K34.9Very low31.7Very low204 Ų204141.8 Ų141.889%0.88782%0.818SS**  trans-67.1137.7175-60.9161.3-179165.60111.4
291S34.7Very low31.5Very low119 Ų119138 Ų13883%0.83282%0.818SS**  177.5138.9111.842.50000113.5
292N29Very low31.9Very low158 Ų158135.6 Ų135.685%0.84581%0.813SS**  trans-72142.2158.6-103.5-34.8000109.3
293L32.5Very low31.4Very low166 Ų166137.6 Ų137.687%0.86982%0.824SS**  trans-168.6130.6132.5-106.6150.1000112.9
294N29Very low31.8Very low145 Ų145139.3 Ų139.378%0.77583%0.828SS**  trans-57.4148.4155-87.3-38.1000110.1
295T29.3Very low32.2Very low142 Ų142136.8 Ų136.887%0.87182%0.82SS**  -169.515012129.60000111.6
296S35.1Very low32.8Very low124 Ų124138.3 Ų138.387%0.86783%0.827SS**  trans-87.1140.6175.843.80000111.5
297G29.4Very low33.5Very low81 Ų81139.2 Ų139.284%0.83582%0.824SS**  trans-164115.817300000112.5
298K32.7Very low33.9Very low207 Ų207141.2 Ų141.290%0.983%0.827SS**  trans-81.7139.1168.7-77.6176.1171.1177.10109.7
299T27Very low34.3Very low135 Ų135140.9 Ų140.983%0.82883%0.832SS**  -164.4121.6127.835.60000112.4
300T31.9Very low34.8Very low137 Ų137138.6 Ų138.684%0.8483%0.827SS**  trans-7.7129.715052.90000120.1
301S28.8Very low34.9Very low126 Ų126135 Ų13588%0.88182%0.817SS**  trans-150.1141.7132.560.20000110.8
302S35.7Very low35.4Very low111 Ų111138.7 Ų138.778%0.77682%0.819SS**  trans-96.1144.8-171.549.80000113.3
303T34.4Very low36Very low145 Ų145137 Ų13789%0.8982%0.819SS**  trans-157.5140138.935.50000110.2
304D36Very low36.1Very low172 Ų172134.5 Ų134.592%0.9282%0.815SS**  trans-65.3146.6-176.1-74.2-70.4000115
305G39.8Very low36.6Very low58 Ų58134 Ų13460%0.59882%0.818SS**  trans-114.5153.3158.100000110.2K307G305-K307 PolarHBondContact O-N 2.79Å
306P41.2Very low36.8Very low131 Ų131132.7 Ų132.785%0.85181%0.81SS**PPolyproline II helixtrans-67.6133.3-168.326.8-34.5000113
307K44.2Very low36.9Very low162 Ų162135.5 Ų135.570%0.70481%0.809SS**PPolyproline II helixtrans-92.2124.9-171.7-167.6170.7-178.5175.70111.6G305G305-K307 PolarHBondContact O-N 2.79Å
308F39.5Very low37.5Very low180 Ų180139.5 Ų139.579%0.78981%0.812SS**PPolyproline II helixtrans-74.1151.8176.8-85.3-94.3000112.5G310F308-G310 PolarHBondContact O-N 2.71Å
309P40.8Very low37.7Very low138 Ų138136.6 Ų136.690%0.89681%0.806SS**THydrogen-bonded Turntrans-73.490.2-179.4-14.130.5000112.1
310G44.1Very low38.6Very low69 Ų69137.6 Ų137.671%0.71181%0.806SS**THydrogen-bonded Turntrans-167.7-33177.400000114.8F308 K312F308-G310 PolarHBondContact O-N 2.71Å; G310-K312 VanDerWaalsContact C-N 3.35Å; G310-K312 PolarHBondContact O-N 2.71Å
311D38.7Very low39.5Very low128 Ų128139 Ų13968%0.68480%0.803SS**  trans-75.480.3-177.9-81-19000113.3
312K44.4Very low40.5Very low198 Ų198139.9 Ų139.986%0.86179%0.793SS**  trans-91.2108.3155.6-76.1-173.9177.8178.90109.5G310 S314G310-K312 VanDerWaalsContact C-N 3.35Å; G310-K312 PolarHBondContact O-N 2.71Å; K312-S314 PolarHBondContact O-N 2.97Å
313S41.8Very low41.3Very low122 Ų122145.1 Ų145.185%0.85380%0.802SS**  trans-65.7109.8168.651.90000110.6
314S33.3Very low42.7Very low113 Ų113143.4 Ų143.479%0.7978%0.782SS**  trans-114.3101.1164.960.30000110.2K312 T316K312-S314 PolarHBondContact O-N 2.97Å; S314-T316 PolarHBondContact O-N 3Å
315T39.6Very low44.3Very low134 Ų134137.7 Ų137.782%0.82276%0.764SS**  trans-55.1127.8159.9-510000109.1
316T34.9Very low46.2Very low115 Ų115138.2 Ų138.271%0.70675%0.753SS**  trans170.9124.5136.1-71.40000111.6S314S314-T316 PolarHBondContact O-N 3Å
317Q36.2Very low47.9Very low184 Ų184135.6 Ų135.686%0.8673%0.729SS**  trans60.4138.2159.3-71.3176.5-000122.5
318N43.3Very low49.3Very low165 Ų165130 Ų13088%0.88271%0.708SS**  trans-44.9128.5168.1-75.6-48.1000113.7
319N36.9Very low51.1Low146 Ų146125 Ų12578%0.78169%0.689SS**  -146.7131.4125.4-135.1-22.6000111.3Q321N319-Q321 PolarHBondContact O-N 3.36Å
320N45.4Very low52.5Low156 Ų156125.2 Ų125.283%0.83469%0.691SS**  trans-87.154.4-166.1-160.310.2000111.9
321Q49.4Very low53.7Low166 Ų166126.7 Ų126.778%0.77668%0.682SS**  trans-99.3103.6168.6-68.8-172.111.100108.4N319 K323N319-Q321 PolarHBondContact O-N 3.36Å; Q321-K323 PolarHBondContact O-N 3.05Å
322Q50.9Low55.2Low145 Ų145122.1 Ų122.168%0.67867%0.666SS**  trans-41.8134.4163.9-65.7168.1-26.500108.9K324Q322-K324 HydrophobicContact CB-CG 4.23Å; Q322-K324 PolarHBondContact O-N 3.13Å
323K53.1Low56.7Low221 Ų221121.1 Ų121.196%0.96166%0.657SS**  trans-66.469.3164.1-75.2-174.4177.6-179.80109.2Q321 G325Q321-K323 PolarHBondContact O-N 3.05Å; K323-G325 PolarHBondContact O-N 2.94Å
324K63.1Low58.6Low109 Ų109116.5 Ų116.547%0.47462%0.623SS.*  trans-58.8121.4161.8-76.9171.1163-168.90105.2Q322 Q327Q322-K324 HydrophobicContact CB-CG 4.23Å; Q322-K324 PolarHBondContact O-N 3.13Å; K324-Q327 HydrophobicContact CB-CG 4.33Å
325G70.5Confident60.9Low52 Ų52113.4 Ų113.454%0.53660%0.599SS.*  trans-63.6-165173.600000111K323 Q327K323-G325 PolarHBondContact O-N 2.94Å; G325-Q327 WeakPolarHBondContact O-CG 3.34Å; G325-Q327 PolarHBondContact O-N 3.43Å
326I79.3Confident63Low69 Ų69111.1 Ų111.135%0.35458%0.582SS.*SBendtrans-52.2118.4175.6-61.1165.3000109V334 M341 I349 L352I326-V334 HydrophobicContact CG2-CG1 3.27Å; I326-M341 HydrophobicContact CD1-CE 3.74Å; I326-M341 HydrophobicContact CD1-SD 3.68Å; I326-I349 HydrophobicContact CD1-CD1 3.97Å; I326-I349 HydrophobicContact CG1-CD1 4.38Å; I326-I349 HydrophobicContact CG2-CD1 3.77Å; I326-L352 HydrophobicContact CG2-CD2 4.08Å
327Q75.7Confident65.2Low76 Ų76108.1 Ų108.136%0.35556%0.561SS.*EExtended strand (participates in β ladder)trans-116.7117.5-178.8-78.1-163.2-25.300110.5K324 G325 T335K324-Q327 HydrophobicContact CB-CG 4.33Å; G325-Q327 WeakPolarHBondContact O-CG 3.34Å; G325-Q327 PolarHBondContact O-N 3.43Å; Q327-T335 PolarHBondContact N-O 3.12Å; Q327-T335 PolarHBondContact O-N 3.4Å; Q327-T335 PolarHBondContact O-OG1 3.21Å
328V74.1Confident67.4Low43 Ų43103 Ų10326%0.26154%0.544SS..EExtended strand (participates in β ladder)trans-84.4124.6169.5-165.20000108.3V334 L352 R356V328-V334 HydrophobicContact CG1-CG2 4.26Å; V328-V334 HydrophobicContact CG2-CG1 4.43Å; V328-V334 HydrophobicContact CG2-CG2 4.12Å; V328-L352 HydrophobicContact CG2-CD1 4.27Å; V328-L352 HydrophobicContact CG2-CD2 3.46Å; V328-L352 VanDerWaalsContact CG2-CD2 3.46Å; V328-L352 HydrophobicContact CG2-CG 3.66Å; V328-R356 HydrophobicContact CG1-CG 4.25Å
329L77.9Confident69Low75 Ų75105 Ų10539%0.39355%0.548SS..  trans-83.2158.5173.1-70.2166.9000110.3D331 G332 R333 T335L329-D331 WeakPolarHBondContact CB-OD1 3.43Å; L329-D331 PolarHBondContact O-N 3.33Å; L329-G332 PolarHBondContact O-N 3.46Å; L329-R333 WeakPolarHBondContact CB-O 3.09Å; L329-R333 HydrophobicContact CD1-CB 4.34Å; L329-R333 PolarHBondContact N-O 2.87Å; L329-T335 HydrophobicContact CD1-CG2 3.71Å; L329-T335 HydrophobicContact CG-CG2 4.37Å
330P69.4Low71.1Confident144 Ų144102.1 Ų102.194%0.93555%0.553SS**THydrogen-bonded Turntrans-62.1-12178.1-23.734.9000115.3G332P330-G332 VanDerWaalsContact C-N 3.29Å
331D70.1Confident72.9Confident99 Ų9997.4 Ų97.453%0.52953%0.527SS..THydrogen-bonded Turntrans-88.88.9173.670.2-13000113.1L329 R333L329-D331 WeakPolarHBondContact CB-OD1 3.43Å; L329-D331 PolarHBondContact O-N 3.33Å; D331-R333 PolarHBondContact O-N 2.97Å; D331-R333 VanDerWaalsContact OD1-CB 3.29Å; D331-R333 WeakPolarHBondContact OD1-CB 3.48Å; D331-R333 PolarHBondContact OD1-N 3.23Å; D331-R333 VanDerWaalsContact OD2-CD 3.24Å; D331-R333 WeakPolarHBondContact OD2-CD 3.29Å; D331-R333 WeakPolarHBondContact OD2-CG 3.24Å; D331-R333 IonicContact OD2-NE 2.95Å
332G69.1Low74.7Confident33 Ų3393.1 Ų93.134%0.3451%0.512SS..SBendtrans78.1-1.2-177.500000114.5L329 P330L329-G332 PolarHBondContact O-N 3.46Å; P330-G332 VanDerWaalsContact C-N 3.29Å
333R77.2Confident76.3Confident177 Ų17791.1 Ų91.167%0.66851%0.51SS*.  trans-79.5133179.6-65-174.7177.1-173.7-2.7111.4L329 D331L329-R333 WeakPolarHBondContact CB-O 3.09Å; L329-R333 HydrophobicContact CD1-CB 4.34Å; L329-R333 PolarHBondContact N-O 2.87Å; D331-R333 PolarHBondContact O-N 2.97Å; D331-R333 VanDerWaalsContact OD1-CB 3.29Å; D331-R333 WeakPolarHBondContact OD1-CB 3.48Å; D331-R333 PolarHBondContact OD1-N 3.23Å; D331-R333 VanDerWaalsContact OD2-CD 3.24Å; D331-R333 WeakPolarHBondContact OD2-CD 3.29Å; D331-R333 WeakPolarHBondContact OD2-CG 3.24Å; D331-R333 IonicContact OD2-NE 2.95Å
334V80.5Confident77.9Confident24 Ų2484.3 Ų84.315%0.14548%0.484CS..EExtended strand (participates in β ladder)trans-100.1126.9178.5-167.20000110.3I326 V328 I337 I349 T353I326-V334 HydrophobicContact CG2-CG1 3.27Å; V328-V334 HydrophobicContact CG1-CG2 4.26Å; V328-V334 HydrophobicContact CG2-CG1 4.43Å; V328-V334 HydrophobicContact CG2-CG2 4.12Å; V334-I337 HydrophobicContact CB-CD1 4.32Å; V334-I337 HydrophobicContact CG1-CD1 4.36Å; V334-I337 HydrophobicContact CG1-CG1 4.17Å; V334-I349 HydrophobicContact CB-CG2 3.76Å; V334-I349 HydrophobicContact CG1-CD1 4.04Å; V334-I349 HydrophobicContact CG1-CG2 4.03Å; V334-I349 HydrophobicContact CG2-CG2 3.83Å; V334-T353 WeakPolarHBondContact CG2-OG1 3.41Å
335T82Confident78.9Confident48 Ų4886 Ų8629%0.29449%0.494SS..EExtended strand (participates in β ladder)trans-122.8165.5-174.561.20000111.2Q327 L329 I337Q327-T335 PolarHBondContact N-O 3.12Å; Q327-T335 PolarHBondContact O-N 3.4Å; Q327-T335 PolarHBondContact O-OG1 3.21Å; L329-T335 HydrophobicContact CD1-CG2 3.71Å; L329-T335 HydrophobicContact CG-CG2 4.37Å; T335-I337 VanDerWaalsContact C-N 3.31Å; T335-I337 PolarHBondContact O-N 3.43Å
336N83.4Confident79.9Confident86 Ų8691.8 Ų91.846%0.4650%0.504SS..SBendtrans57.738.1-174.2-53.2-46.5000113.7P338N336-P338 WeakPolarHBondContact O-CD 3.42Å
337I82.5Confident80.4Confident52 Ų5289 Ų8927%0.26749%0.492SS..PPolyproline II helixtrans-74.7125.4175.7-53.8169.8000109.2V334 T335 M341 T343 I349V334-I337 HydrophobicContact CB-CD1 4.32Å; V334-I337 HydrophobicContact CG1-CD1 4.36Å; V334-I337 HydrophobicContact CG1-CG1 4.17Å; T335-I337 VanDerWaalsContact C-N 3.31Å; T335-I337 PolarHBondContact O-N 3.43Å; I337-M341 HydrophobicContact CG2-CB 3.92Å; I337-M341 HydrophobicContact CG2-CG 4.19Å; I337-M341 HydrophobicContact CG2-SD 3.93Å; I337-T343 HydrophobicContact CD1-CG2 4.31Å; I337-T343 HydrophobicContact CG2-CG2 4.03Å; I337-I349 HydrophobicContact CD1-CD1 4.2Å; I337-I349 HydrophobicContact CD1-CG1 4.09Å; I337-I349 HydrophobicContact CD1-CG2 4.02Å; I337-I349 HydrophobicContact CG1-CD1 3.92Å; I337-I349 HydrophobicContact CG1-CG1 4.3Å; I337-I349 HydrophobicContact CG2-CD1 4.11Å; I337-I349 HydrophobicContact CG2-CG1 4.13Å
338P82.4Confident80.9Confident77 Ų7791.4 Ų91.450%0.551%0.505SS..PPolyproline II helixtrans-61.8142.3178-24.535000113.4N336 G340 M341N336-P338 WeakPolarHBondContact O-CD 3.42Å; P338-G340 PolarHBondContact O-N 2.86Å; P338-M341 WeakPolarHBondContact O-CB 3.44Å; P338-M341 PolarHBondContact O-N 3.36Å; P338-M341 VanDerWaalsContact O-N 3.11Å
339Q75.1Confident81.6Confident206 Ų20689.8 Ų89.896%0.96350%0.495SS*.THydrogen-bonded Turntrans-63.4126173.2-68.6-178.4-10.400110.1
340G82.6Confident82Confident87 Ų8786.8 Ų86.890%0.89748%0.482SS*.THydrogen-bonded Turntrans101.2-9-173.300000114.7P338P338-G340 PolarHBondContact O-N 2.86Å
341M82.4Confident82.9Confident56 Ų5683.8 Ų83.828%0.27646%0.458SS..SBendtrans-82.1141.6171.9-170.1174.1-175.400111.2I326 I337 P338 T343 M348 I349I326-M341 HydrophobicContact CD1-CE 3.74Å; I326-M341 HydrophobicContact CD1-SD 3.68Å; I337-M341 HydrophobicContact CG2-CB 3.92Å; I337-M341 HydrophobicContact CG2-CG 4.19Å; I337-M341 HydrophobicContact CG2-SD 3.93Å; P338-M341 WeakPolarHBondContact O-CB 3.44Å; P338-M341 PolarHBondContact O-N 3.36Å; P338-M341 VanDerWaalsContact O-N 3.11Å; M341-T343 PolarHBondContact O-N 3.07Å; M341-M348 HydrophobicContact CE-CB 3.64Å; M341-I349 HydrophobicContact CE-CD1 3.57Å; M341-I349 HydrophobicContact CE-CG1 3.84Å; M341-I349 HydrophobicContact SD-CD1 3.82Å; M341-I349 HydrophobicContact SD-CG1 4.13Å
342V87.7Confident83.7Confident77 Ų7781.7 Ų81.747%0.46745%0.446SS..  trans-67.2119.9175179.70000109.8D344V342-D344 HydrophobicContact CG1-CB 4.46Å; V342-D344 VanDerWaalsContact CG1-CG 3.45Å; V342-D344 WeakPolarHBondContact CG1-OD1 3.19Å
343T84.8Confident84.4Confident102 Ų10282.5 Ų82.563%0.62645%0.445SS*.  trans-98.40.4-176.563.40000114.1I337 M341I337-T343 HydrophobicContact CD1-CG2 4.31Å; I337-T343 HydrophobicContact CG2-CG2 4.03Å; M341-T343 PolarHBondContact O-N 3.07Å
344D85.4Confident84.8Confident78 Ų7877.6 Ų77.642%0.41743%0.428SS..SBendtrans-86.5-179.4178.669.633000112.6V342 F346 G347V342-D344 HydrophobicContact CG1-CB 4.46Å; V342-D344 VanDerWaalsContact CG1-CG 3.45Å; V342-D344 WeakPolarHBondContact CG1-OD1 3.19Å; D344-F346 PolarHBondContact O-N 3.05Å; D344-F346 WeakPolarHBondContact OD1-CA 3.43Å; D344-F346 WeakPolarHBondContact OD1-CB 3.48Å; D344-F346 PolarHBondContact OD1-N 3.21Å; D344-G347 PolarHBondContact O-N 3.07Å; D344-G347 PolarHBondContact OD1-N 2.89Å; D344-G347 VanDerWaalsContact OD1-N 3.1Å
345Q85.5Confident85.2Confident146 Ų14679.2 Ų79.268%0.68244%0.435SS*.THydrogen-bonded Turntrans-65.7-17.6-179.968.7-174.112.400114.7
346F90.5Very high85.3Confident172 Ų17282.4 Ų82.475%0.75444%0.442SS*.THydrogen-bonded Turntrans-92.7-13.6179.1-50-71.5000112.1D344D344-F346 PolarHBondContact O-N 3.05Å; D344-F346 WeakPolarHBondContact OD1-CA 3.43Å; D344-F346 WeakPolarHBondContact OD1-CB 3.48Å; D344-F346 PolarHBondContact OD1-N 3.21Å
347G89.9Confident85.3Confident10 Ų1080 Ų8010%0.10343%0.434CS..SBendtrans-78.5169171.400000113.8D344 I349 G350 L351D344-G347 PolarHBondContact O-N 3.07Å; D344-G347 PolarHBondContact OD1-N 2.89Å; D344-G347 VanDerWaalsContact OD1-N 3.1Å; G347-I349 PolarHBondContact O-N 3.38Å; G347-I349 VanDerWaalsContact O-N 3.11Å; G347-G350 WeakPolarHBondContact O-CA 3.47Å; G347-G350 PolarHBondContact O-N 2.89Å; G347-L351 PolarHBondContact O-N 3.13Å
348M87.2Confident85.3Confident127 Ų12777.7 Ų77.763%0.62642%0.423SS*.Hα-helixtrans-59.4-22.4175.1-68.1-62.8-64.200113.5M341 L351 L352M341-M348 HydrophobicContact CE-CB 3.64Å; M348-L351 HydrophobicContact CE-CD2 4.03Å; M348-L351 HydrophobicContact SD-CD2 4.17Å; M348-L352 WeakPolarHBondContact O-CB 3.36Å; M348-L352 PolarHBondContact O-N 3.25Å; M348-L352 VanDerWaalsContact O-N 3.09Å
349I87.1Confident85.4Confident9 Ų979.8 Ų79.85%0.04643%0.426CS..Hα-helixtrans-67.1-42.6171.4-56.9-57.3000110.7I326 V334 I337 M341 G347 L352 T353I326-I349 HydrophobicContact CD1-CD1 3.97Å; I326-I349 HydrophobicContact CG1-CD1 4.38Å; I326-I349 HydrophobicContact CG2-CD1 3.77Å; V334-I349 HydrophobicContact CB-CG2 3.76Å; V334-I349 HydrophobicContact CG1-CD1 4.04Å; V334-I349 HydrophobicContact CG1-CG2 4.03Å; V334-I349 HydrophobicContact CG2-CG2 3.83Å; I337-I349 HydrophobicContact CD1-CD1 4.2Å; I337-I349 HydrophobicContact CD1-CG1 4.09Å; I337-I349 HydrophobicContact CD1-CG2 4.02Å; I337-I349 HydrophobicContact CG1-CD1 3.92Å; I337-I349 HydrophobicContact CG1-CG1 4.3Å; I337-I349 HydrophobicContact CG2-CD1 4.11Å; I337-I349 HydrophobicContact CG2-CG1 4.13Å; M341-I349 HydrophobicContact CE-CD1 3.57Å; M341-I349 HydrophobicContact CE-CG1 3.84Å; M341-I349 HydrophobicContact SD-CD1 3.82Å; M341-I349 HydrophobicContact SD-CG1 4.13Å; G347-I349 PolarHBondContact O-N 3.38Å; G347-I349 VanDerWaalsContact O-N 3.11Å; I349-L352 PolarHBondContact O-N 3.41Å; I349-T353 WeakPolarHBondContact O-CB 3.35Å; I349-T353 PolarHBondContact O-N 2.97Å; I349-T353 PolarHBondContact O-OG1 3.33Å
350G87.3Confident85.8Confident12 Ų1275.7 Ų75.712%0.12442%0.415CS..Hα-helixtrans-59.5-48.9173.800000112.1G347 L352 T353 F354G347-G350 WeakPolarHBondContact O-CA 3.47Å; G347-G350 PolarHBondContact O-N 2.89Å; G350-L352 PolarHBondContact O-N 3.15Å; G350-T353 PolarHBondContact O-N 3.19Å; G350-F354 WeakPolarHBondContact O-CB 3.49Å; G350-F354 PolarHBondContact O-N 3.04Å
351L88.3Confident85.7Confident82 Ų8275.1 Ų75.143%0.42939%0.391SS..Hα-helixtrans-57.4-47175.9177.961.3000112.5G347 M348 T353 F354 I355G347-L351 PolarHBondContact O-N 3.13Å; M348-L351 HydrophobicContact CE-CD2 4.03Å; M348-L351 HydrophobicContact SD-CD2 4.17Å; L351-T353 VanDerWaalsContact C-N 3.33Å; L351-T353 PolarHBondContact O-N 2.79Å; L351-F354 WeakPolarHBondContact O-CB 3.38Å; L351-F354 PolarHBondContact O-N 2.85Å; L351-I355 HydrophobicContact CD1-CD1 4.1Å; L351-I355 HydrophobicContact CD1-CG1 4.39Å; L351-I355 HydrophobicContact CG-CD1 4.06Å; L351-I355 WeakPolarHBondContact O-CG1 3.4Å; L351-I355 PolarHBondContact O-N 2.89Å
352L86.8Confident85.4Confident55 Ų5577.1 Ų77.129%0.28841%0.409SS..Hα-helixtrans-64.3-38.4178.4178.459.4000112.1I326 V328 M348 I349 G350 F354 R356I326-L352 HydrophobicContact CG2-CD2 4.08Å; V328-L352 HydrophobicContact CG2-CD1 4.27Å; V328-L352 HydrophobicContact CG2-CD2 3.46Å; V328-L352 VanDerWaalsContact CG2-CD2 3.46Å; V328-L352 HydrophobicContact CG2-CG 3.66Å; M348-L352 WeakPolarHBondContact O-CB 3.36Å; M348-L352 PolarHBondContact O-N 3.25Å; M348-L352 VanDerWaalsContact O-N 3.09Å; I349-L352 PolarHBondContact O-N 3.41Å; G350-L352 PolarHBondContact O-N 3.15Å; L352-F354 VanDerWaalsContact C-N 3.34Å; L352-R356 WeakPolarHBondContact O-CG 3.34Å; L352-R356 PolarHBondContact O-N 3.32Å; L352-R356 VanDerWaalsContact O-N 3.12Å
353T84.5Confident84.8Confident50 Ų5075.5 Ų75.531%0.30741%0.408SS..Hα-helixtrans-65.4-39175-51.20000111.1V334 I349 G350 L351 R356 A357V334-T353 WeakPolarHBondContact CG2-OG1 3.41Å; I349-T353 WeakPolarHBondContact O-CB 3.35Å; I349-T353 PolarHBondContact O-N 2.97Å; I349-T353 PolarHBondContact O-OG1 3.33Å; G350-T353 PolarHBondContact O-N 3.19Å; L351-T353 VanDerWaalsContact C-N 3.33Å; L351-T353 PolarHBondContact O-N 2.79Å; T353-R356 PolarHBondContact O-N 3.37Å; T353-A357 WeakPolarHBondContact O-CB 3.48Å; T353-A357 PolarHBondContact O-N 3.32Å
354F85.8Confident84.5Confident74 Ų7473.5 Ų73.533%0.32539%0.392SS..Hα-helixtrans-66.5-44.1177.8-173.7-126.4000112.7G350 L351 L352 R356 A357 A358 M364 L367 A368G350-F354 WeakPolarHBondContact O-CB 3.49Å; G350-F354 PolarHBondContact O-N 3.04Å; L351-F354 WeakPolarHBondContact O-CB 3.38Å; L351-F354 PolarHBondContact O-N 2.85Å; L352-F354 VanDerWaalsContact C-N 3.34Å; F354-R356 VanDerWaalsContact C-N 3.29Å; F354-R356 PolarHBondContact O-N 3.47Å; F354-A357 PolarHBondContact O-N 3.39Å; F354-A358 PolarHBondContact O-N 3.17Å; F354-A358 VanDerWaalsContact O-N 3.13Å; F354-M364 HydrophobicContact CE2-SD 3.72Å; F354-M364 HydrophobicContact CZ-SD 4.45Å; F354-L367 HydrophobicContact CE1-CB 4.43Å; F354-L367 HydrophobicContact CZ-CB 3.82Å; F354-A368 HydrophobicContact CD1-CB 3.49Å; F354-A368 VanDerWaalsContact CD1-CB 3.49Å; F354-A368 VanDerWaalsContact CE1-CA 3.41Å; F354-A368 HydrophobicContact CE1-CB 3.41Å; F354-A368 VanDerWaalsContact CE1-CB 3.41Å; F354-A368 HydrophobicContact CE2-CB 4.43Å; F354-A368 HydrophobicContact CG-CB 4.07Å; F354-A368 HydrophobicContact CZ-CB 3.91Å
355I87.4Confident84.4Confident57 Ų5772 Ų7229%0.29239%0.385SS..Hα-helixtrans-59.8-39.9173.4-69.2166.5000111.1L351 A358 L369L351-I355 HydrophobicContact CD1-CD1 4.1Å; L351-I355 HydrophobicContact CD1-CG1 4.39Å; L351-I355 HydrophobicContact CG-CD1 4.06Å; L351-I355 WeakPolarHBondContact O-CG1 3.4Å; L351-I355 PolarHBondContact O-N 2.89Å; I355-A358 WeakPolarHBondContact O-CB 3.09Å; I355-A358 PolarHBondContact O-N 3.11Å; I355-L369 HydrophobicContact CG2-CD2 4.14Å
356R84.1Confident84.2Confident115 Ų11570 Ų7043%0.43438%0.376SS..Hα-helixtrans-72-35.8176.7-70.3-67.3-176.5-173.7-10113.1V328 L352 T353 F354 A358 E359V328-R356 HydrophobicContact CG1-CG 4.25Å; L352-R356 WeakPolarHBondContact O-CG 3.34Å; L352-R356 PolarHBondContact O-N 3.32Å; L352-R356 VanDerWaalsContact O-N 3.12Å; T353-R356 PolarHBondContact O-N 3.37Å; F354-R356 VanDerWaalsContact C-N 3.29Å; F354-R356 PolarHBondContact O-N 3.47Å; R356-A358 PolarHBondContact O-N 2.98Å; R356-E359 WeakPolarHBondContact CD-OE2 3.38Å; R356-E359 IonicContact CZ-OE1 3.62Å; R356-E359 IonicContact CZ-OE2 3.69Å; R356-E359 IonicContact NE-OE2 2.71Å; R356-E359 IonicContact NH1-OE1 2.71Å; R356-E359 PolarHBondContact NH1-OE1 2.86Å; R356-E359 IonicContact NH1-OE2 3.5Å; R356-E359 PolarHBondContact NH1-OE2 3.43Å; R356-E359 WeakPolarHBondContact O-CB 3.45Å; R356-E359 PolarHBondContact O-N 3.15Å
357A83.4Confident83.9Confident35 Ų3568 Ų6829%0.28937%0.372SS..Hα-helixtrans-60-36.8173.300000111.6T353 F354 E359 T360 D361T353-A357 WeakPolarHBondContact O-CB 3.48Å; T353-A357 PolarHBondContact O-N 3.32Å; F354-A357 PolarHBondContact O-N 3.39Å; A357-E359 VanDerWaalsContact C-N 3.27Å; A357-E359 PolarHBondContact O-N 2.64Å; A357-T360 CarbonylContact O-C 3.56Å; A357-T360 WeakPolarHBondContact O-CA 3.48Å; A357-T360 PolarHBondContact O-N 2.93Å; A357-T360 PolarHBondContact O-OG1 3.19Å; A357-D361 PolarHBondContact O-N 3.27Å
358A84.1Confident83.6Confident4 Ų468.6 Ų68.63%0.03338%0.377CS..Hα-helixtrans-65.7-20.4174.300000114.9F354 I355 R356 T360 M364 V365 A368 L369F354-A358 PolarHBondContact O-N 3.17Å; F354-A358 VanDerWaalsContact O-N 3.13Å; I355-A358 WeakPolarHBondContact O-CB 3.09Å; I355-A358 PolarHBondContact O-N 3.11Å; R356-A358 PolarHBondContact O-N 2.98Å; A358-T360 PolarHBondContact O-N 3.12Å; A358-M364 HydrophobicContact CB-CB 4.22Å; A358-V365 HydrophobicContact CB-CG2 4.33Å; A358-V365 WeakPolarHBondContact O-CG2 3.47Å; A358-A368 HydrophobicContact CB-CB 3.76Å; A358-L369 HydrophobicContact CB-CD1 4Å; A358-L369 HydrophobicContact CB-CG 4.2Å
359E83.8Confident83.6Confident122 Ų12267.7 Ų67.757%0.5737%0.374SS*.THydrogen-bonded Turntrans-70.3-19.8169.5-60.5177.7157.700111.9R356 A357R356-E359 WeakPolarHBondContact CD-OE2 3.38Å; R356-E359 IonicContact CZ-OE1 3.62Å; R356-E359 IonicContact CZ-OE2 3.69Å; R356-E359 IonicContact NE-OE2 2.71Å; R356-E359 IonicContact NH1-OE1 2.71Å; R356-E359 PolarHBondContact NH1-OE1 2.86Å; R356-E359 IonicContact NH1-OE2 3.5Å; R356-E359 PolarHBondContact NH1-OE2 3.43Å; R356-E359 WeakPolarHBondContact O-CB 3.45Å; R356-E359 PolarHBondContact O-N 3.15Å; A357-E359 VanDerWaalsContact C-N 3.27Å; A357-E359 PolarHBondContact O-N 2.64Å
360T82.9Confident83.6Confident120 Ų12068.9 Ų68.974%0.73639%0.388SS*.THydrogen-bonded Turntrans-111.5-23.6-176.756.10000114.9A357 A358A357-T360 CarbonylContact O-C 3.56Å; A357-T360 WeakPolarHBondContact O-CA 3.48Å; A357-T360 PolarHBondContact O-N 2.93Å; A357-T360 PolarHBondContact O-OG1 3.19Å; A358-T360 PolarHBondContact O-N 3.12Å
361D80.6Confident83.7Confident74 Ų7471.1 Ų71.140%0.39640%0.402SS..  trans-122.8108.4-179.8-178.33000111.3A357 G363 M364 V365A357-D361 PolarHBondContact O-N 3.27Å; D361-G363 PolarHBondContact O-N 2.67Å; D361-G363 VanDerWaalsContact O-N 3.15Å; D361-G363 PolarHBondContact OD1-N 3.14Å; D361-M364 HydrophobicContact CB-CB 4.33Å; D361-M364 HydrophobicContact CB-CG 4.17Å; D361-M364 PolarHBondContact O-N 2.7Å; D361-M364 WeakPolarHBondContact OD2-CG 3.15Å; D361-V365 PolarHBondContact O-N 3.33Å
362P75.6Confident83.8Confident99 Ų9971.8 Ų71.864%0.64341%0.406SS*.Hα-helixtrans-55.3-27.6174.8-26.335.6000114.6M364 H366P362-M364 VanDerWaalsContact C-N 3.29Å; P362-M364 PolarHBondContact O-N 2.99Å; P362-H366 PolarHBondContact O-ND1 3.44Å
363G76.7Confident83.8Confident43 Ų4374.1 Ų74.144%0.44342%0.418SS..Hα-helixtrans-67.1-30.6175.900000112.9D361D361-G363 PolarHBondContact O-N 2.67Å; D361-G363 VanDerWaalsContact O-N 3.15Å; D361-G363 PolarHBondContact OD1-N 3.14Å
364M78.6Confident84.1Confident59 Ų5976 Ų7629%0.29143%0.43SS..Hα-helixtrans-87.8-19.5179.7-64.6-64.696.400113.5F354 A358 D361 P362 H366 L367 A368F354-M364 HydrophobicContact CE2-SD 3.72Å; F354-M364 HydrophobicContact CZ-SD 4.45Å; A358-M364 HydrophobicContact CB-CB 4.22Å; D361-M364 HydrophobicContact CB-CB 4.33Å; D361-M364 HydrophobicContact CB-CG 4.17Å; D361-M364 PolarHBondContact O-N 2.7Å; D361-M364 WeakPolarHBondContact OD2-CG 3.15Å; P362-M364 VanDerWaalsContact C-N 3.29Å; P362-M364 PolarHBondContact O-N 2.99Å; M364-H366 VanDerWaalsContact C-N 3.31Å; M364-H366 PolarHBondContact O-N 3.32Å; M364-L367 HydrophobicContact CE-CD1 3.94Å; M364-L367 PolarHBondContact O-N 2.97Å; M364-L367 VanDerWaalsContact O-N 3.11Å; M364-A368 WeakPolarHBondContact O-CB 3.5Å; M364-A368 PolarHBondContact O-N 3.46Å
365V82.2Confident84.2Confident46 Ų4677.4 Ų77.428%0.27944%0.444SS..Hα-helixtrans-49.2-52.2174.6174.60000111.4A358 D361 L367 A368 L369 G370A358-V365 HydrophobicContact CB-CG2 4.33Å; A358-V365 WeakPolarHBondContact O-CG2 3.47Å; D361-V365 PolarHBondContact O-N 3.33Å; V365-L367 PolarHBondContact O-N 3.1Å; V365-A368 PolarHBondContact O-N 3.36Å; V365-L369 HydrophobicContact CG1-CB 4.45Å; V365-L369 HydrophobicContact CG1-CD1 4.31Å; V365-L369 WeakPolarHBondContact O-CA 3.44Å; V365-L369 WeakPolarHBondContact O-CB 3.43Å; V365-L369 PolarHBondContact O-N 3.12Å; V365-G370 PolarHBondContact O-N 3.27Å
366H80.8Confident84.2Confident105 Ų10577.2 Ų77.249%0.48644%0.444SS..Hα-helixtrans-61.8-26-176.6-65.184.7000114P362 M364 G370 S371P362-H366 PolarHBondContact O-ND1 3.44Å; M364-H366 VanDerWaalsContact C-N 3.31Å; M364-H366 PolarHBondContact O-N 3.32Å; H366-G370 WeakPolarHBondContact O-CA 3.45Å; H366-S371 PolarHBondContact CD2-OG 2.95Å
367L85.3Confident84.4Confident129 Ų12973.4 Ų73.468%0.67544%0.44SS*.Hα-helixtrans-98.7-31.1-178.3-64.6174000113.2F354 M364 V365F354-L367 HydrophobicContact CE1-CB 4.43Å; F354-L367 HydrophobicContact CZ-CB 3.82Å; M364-L367 HydrophobicContact CE-CD1 3.94Å; M364-L367 PolarHBondContact O-N 2.97Å; M364-L367 VanDerWaalsContact O-N 3.11Å; V365-L367 PolarHBondContact O-N 3.1Å
368A83.9Confident84.7Confident24 Ų2474.8 Ų74.820%0.19844%0.442CS..Hα-helixtrans-95.1-42.6-176.400000113.5F354 A358 M364 V365F354-A368 HydrophobicContact CD1-CB 3.49Å; F354-A368 VanDerWaalsContact CD1-CB 3.49Å; F354-A368 VanDerWaalsContact CE1-CA 3.41Å; F354-A368 HydrophobicContact CE1-CB 3.41Å; F354-A368 VanDerWaalsContact CE1-CB 3.41Å; F354-A368 HydrophobicContact CE2-CB 4.43Å; F354-A368 HydrophobicContact CG-CB 4.07Å; F354-A368 HydrophobicContact CZ-CB 3.91Å; A358-A368 HydrophobicContact CB-CB 3.76Å; M364-A368 WeakPolarHBondContact O-CB 3.5Å; M364-A368 PolarHBondContact O-N 3.46Å; V365-A368 PolarHBondContact O-N 3.36Å
369L87Confident85Confident108 Ų10879 Ų7957%0.56547%0.465SS*.THydrogen-bonded Turntrans-102.2-21.2-178.5-62.3169.6000111.5I355 A358 V365I355-L369 HydrophobicContact CG2-CD2 4.14Å; A358-L369 HydrophobicContact CB-CD1 4Å; A358-L369 HydrophobicContact CB-CG 4.2Å; V365-L369 HydrophobicContact CG1-CB 4.45Å; V365-L369 HydrophobicContact CG1-CD1 4.31Å; V365-L369 WeakPolarHBondContact O-CA 3.44Å; V365-L369 WeakPolarHBondContact O-CB 3.43Å; V365-L369 PolarHBondContact O-N 3.12Å
370G87.4Confident85.4Confident34 Ų3477.6 Ų77.635%0.35146%0.46SS..  trans80.6-162.1-175.600000112.3V365 H366V365-G370 PolarHBondContact O-N 3.27Å; H366-G370 WeakPolarHBondContact O-CA 3.45Å
371S88.2Confident85.9Confident59 Ų5978.9 Ų78.941%0.41346%0.463SS..  trans-144.7148.3176.7-52.30000109.2H366 L373H366-S371 PolarHBondContact CD2-OG 2.95Å; S371-L373 PolarHBondContact O-N 2.72Å
372D89.9Confident86.4Confident95 Ų9577 Ų7751%0.50846%0.456SS..  trans-71.399.9176.2-176.2-8.6000110T374 T375D372-T374 VanDerWaalsContact CG-OG1 3.25Å; D372-T374 PolarHBondContact O-N 3.44Å; D372-T374 VanDerWaalsContact O-N 3.12Å; D372-T374 VanDerWaalsContact OD1-CB 3.32Å; D372-T374 WeakPolarHBondContact OD1-CB 3.47Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.23Å; D372-T374 PolarHBondContact OD1-N 3.06Å; D372-T374 PolarHBondContact OD1-OG1 3.45Å; D372-T374 PolarHBondContact OD2-OG1 3.21Å; D372-T375 HydrophobicContact CB-CG2 3.95Å; D372-T375 WeakPolarHBondContact O-CB 3.32Å; D372-T375 PolarHBondContact O-N 3.3Å; D372-T375 PolarHBondContact O-OG1 3.34Å
373L88.7Confident87.3Confident104 Ų10478.8 Ų78.855%0.54547%0.467SS..G310 helixtrans-62.9-17.8-177.8-55.7-177.8000113.1S371 T375 L376 L380S371-L373 PolarHBondContact O-N 2.72Å; L373-T375 PolarHBondContact O-N 3.31Å; L373-L376 HydrophobicContact CD2-CD1 3.9Å; L373-L376 WeakPolarHBondContact O-CG 3.48Å; L373-L376 PolarHBondContact O-N 2.71Å; L373-L380 HydrophobicContact CB-CD1 3.94Å
374T89.8Confident88.2Confident90 Ų9082.3 Ų82.355%0.55247%0.472SS*.G310 helixtrans-71.5-22.3176.172.50000112.4D372 L376D372-T374 VanDerWaalsContact CG-OG1 3.25Å; D372-T374 PolarHBondContact O-N 3.44Å; D372-T374 VanDerWaalsContact O-N 3.12Å; D372-T374 VanDerWaalsContact OD1-CB 3.32Å; D372-T374 WeakPolarHBondContact OD1-CB 3.47Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.23Å; D372-T374 PolarHBondContact OD1-N 3.06Å; D372-T374 PolarHBondContact OD1-OG1 3.45Å; D372-T374 PolarHBondContact OD2-OG1 3.21Å; T374-L376 VanDerWaalsContact C-N 3.26Å; T374-L376 PolarHBondContact O-N 3.38Å
375T88.6Confident89Confident103 Ų10384.9 Ų84.963%0.63249%0.487SS*.G310 helixtrans-76.2-10.3178.766.90000113.7D372 L373 G377D372-T375 HydrophobicContact CB-CG2 3.95Å; D372-T375 WeakPolarHBondContact O-CB 3.32Å; D372-T375 PolarHBondContact O-N 3.3Å; D372-T375 PolarHBondContact O-OG1 3.34Å; L373-T375 PolarHBondContact O-N 3.31Å; T375-G377 PolarHBondContact O-N 2.84Å; T375-G377 VanDerWaalsContact O-N 3.14Å
376L87.8Confident89.5Confident54 Ų5485.8 Ų85.828%0.28349%0.49SS..G310 helixtrans-78.76.7-172-54.5-171.8000114.8L373 T374 L378 F531L373-L376 HydrophobicContact CD2-CD1 3.9Å; L373-L376 WeakPolarHBondContact O-CG 3.48Å; L373-L376 PolarHBondContact O-N 2.71Å; T374-L376 VanDerWaalsContact C-N 3.26Å; T374-L376 PolarHBondContact O-N 3.38Å; L376-L378 PolarHBondContact O-N 3.3Å; L376-F531 HydrophobicContact CD1-CE1 4.47Å; L376-F531 HydrophobicContact CD2-CD1 4.32Å; L376-F531 HydrophobicContact CD2-CE1 3.57Å; L376-F531 HydrophobicContact CD2-CZ 4.42Å
377G86.4Confident90.2Very high35 Ų3589 Ų8936%0.36150%0.499SS..SBendtrans76.46.4-17900000114.8T375T375-G377 PolarHBondContact O-N 2.84Å; T375-G377 VanDerWaalsContact O-N 3.14Å
378L90.2Very high90.5Very high63 Ų6386.3 Ų86.333%0.3349%0.489SS..  trans-94.7126.5172.1-63.7179000110.2L376 L380 L386 F390L376-L378 PolarHBondContact O-N 3.3Å; L378-L380 VanDerWaalsContact C-N 3.32Å; L378-L380 HydrophobicContact CB-CD2 4.05Å; L378-L380 PolarHBondContact O-N 3Å; L378-L386 HydrophobicContact CB-CD1 4.37Å; L378-F390 HydrophobicContact CD2-CD2 4.33Å
379N91.1Very high90.9Very high94 Ų9490 Ų9050%0.50350%0.501SS..  trans-77.482.8173.2-176.311.3000110.6N381 S382N379-N381 PolarHBondContact O-N 2.91Å; N379-N381 VanDerWaalsContact O-N 3.12Å; N379-N381 PolarHBondContact OD1-N 3Å; N379-S382 WeakPolarHBondContact O-CB 3.43Å; N379-S382 PolarHBondContact O-N 3.36Å; N379-S382 PolarHBondContact OD1-N 2.66Å
380L91.1Very high91.3Very high92 Ų9289.5 Ų89.548%0.48249%0.494SS..THydrogen-bonded Turntrans-62.6-16.2178.9-56.2-178.4000113.5L373 L378 L386L373-L380 HydrophobicContact CB-CD1 3.94Å; L378-L380 VanDerWaalsContact C-N 3.32Å; L378-L380 HydrophobicContact CB-CD2 4.05Å; L378-L380 PolarHBondContact O-N 3Å; L380-L386 HydrophobicContact CD2-CD1 4.42Å
381N93.8Very high91.5Very high147 Ų14790.3 Ų90.379%0.78650%0.497SS*.THydrogen-bonded Turntrans-92.28174.8-62.4-35.9000113N379N379-N381 PolarHBondContact O-N 2.91Å; N379-N381 VanDerWaalsContact O-N 3.12Å; N379-N381 PolarHBondContact OD1-N 3Å
382S92.5Very high91.7Very high35 Ų3589.1 Ų89.125%0.24549%0.489CS..  trans-66.1129.4177.9177.20000111.4N379 E384N379-S382 WeakPolarHBondContact O-CB 3.43Å; N379-S382 PolarHBondContact O-N 3.36Å; N379-S382 PolarHBondContact OD1-N 2.66Å; S382-E384 WeakPolarHBondContact CB-O 3.48Å; S382-E384 PolarHBondContact OG-N 3.08Å; S382-E384 VanDerWaalsContact OG-N 3.08Å; S382-E384 PolarHBondContact OG-O 2.77Å
383P94.1Very high91.8Very high136 Ų13688.8 Ų88.888%0.88349%0.492SS*.SBendtrans-74.6-15.916832.5-35.2000112.3
384E95.6Very high92Very high117 Ų11791 Ų9155%0.54749%0.493SS..SBendtrans-89.4148173-63.8-174.6173.800111.5S382 L386 K389S382-E384 WeakPolarHBondContact CB-O 3.48Å; S382-E384 PolarHBondContact OG-N 3.08Å; S382-E384 VanDerWaalsContact OG-N 3.08Å; S382-E384 PolarHBondContact OG-O 2.77Å; E384-L386 PolarHBondContact O-N 3.47Å; E384-K389 IonicContact OE2-NZ 2.71Å; E384-K389 PolarHBondContact OE2-NZ 3.36Å
385N94.4Very high92.1Very high113 Ų11388.4 Ų88.460%0.60448%0.481SS*.  trans-54.9134.6168.9-72.3-46.4000111.7Y387 P388N385-Y387 HydrophobicContact CB-CD1 3.79Å; N385-Y387 HydrophobicContact CB-CE1 3.63Å; N385-P388 HydrophobicContact CB-CG 4.35Å; N385-P388 VanDerWaalsContact O-CD 3.22Å; N385-P388 WeakPolarHBondContact O-CD 3.49Å
386L93.6Very high92.1Very high64 Ų6487.6 Ų87.634%0.33548%0.48SS..SBendtrans-80.9-31.2179.7-61.3-179.5000113.6L378 L380 E384 K389 F390L378-L386 HydrophobicContact CB-CD1 4.37Å; L380-L386 HydrophobicContact CD2-CD1 4.42Å; E384-L386 PolarHBondContact O-N 3.47Å; L386-K389 CarbonylContact O-C 3.57Å; L386-K389 PolarHBondContact O-N 3.11Å; L386-K389 VanDerWaalsContact O-N 3.14Å; L386-F390 PolarHBondContact O-N 3.14Å
387Y93.9Very high92.2Very high172 Ų17288.9 Ų88.968%0.67549%0.494SS*.G310 helixtrans-56-34-174.478.9-97.3000116N385 K389 F390N385-Y387 HydrophobicContact CB-CD1 3.79Å; N385-Y387 HydrophobicContact CB-CE1 3.63Å; Y387-K389 PolarHBondContact O-N 3.18Å; Y387-F390 WeakPolarHBondContact O-CB 3.4Å; Y387-F390 PolarHBondContact O-N 3.08Å
388P92.9Very high92.4Very high74 Ų7490.9 Ų90.948%0.48150%0.5SS..G310 helixtrans-68-19.7-179.6-18.332.5000113.8N385N385-P388 HydrophobicContact CB-CG 4.35Å; N385-P388 VanDerWaalsContact O-CD 3.22Å; N385-P388 WeakPolarHBondContact O-CD 3.49Å
389K92.9Very high92.6Very high101 Ų10189.3 Ų89.344%0.43949%0.494SS..G310 helixtrans-118.117.1179.3-58.4167.4-175.3158.40110.9E384 L386 Y387 A391 P398 C399E384-K389 IonicContact OE2-NZ 2.71Å; E384-K389 PolarHBondContact OE2-NZ 3.36Å; L386-K389 CarbonylContact O-C 3.57Å; L386-K389 PolarHBondContact O-N 3.11Å; L386-K389 VanDerWaalsContact O-N 3.14Å; Y387-K389 PolarHBondContact O-N 3.18Å; K389-A391 PolarHBondContact O-N 2.94Å; K389-P398 HydrophobicContact CB-CB 4.04Å; K389-P398 CarbonylContact O-C 3.54Å; K389-P398 WeakPolarHBondContact O-CA 3.23Å; K389-P398 VanDerWaalsContact O-CB 3.24Å; K389-P398 WeakPolarHBondContact O-CB 3.42Å; K389-C399 PolarHBondContact O-N 3.27Å
390F94.1Very high92.6Very high98 Ų9888.3 Ų88.343%0.4348%0.483SS..  trans-80.7111.6-179.5179.2-102.8000110.4L378 L386 Y387 S392 P393L378-F390 HydrophobicContact CD2-CD2 4.33Å; L386-F390 PolarHBondContact O-N 3.14Å; Y387-F390 WeakPolarHBondContact O-CB 3.4Å; Y387-F390 PolarHBondContact O-N 3.08Å; F390-S392 VanDerWaalsContact CZ-C 3.49Å; F390-P393 HydrophobicContact CE1-CG 4.44Å; F390-P393 HydrophobicContact CZ-CG 4.33Å
391A91.9Very high92.7Very high50 Ų5088.7 Ų88.741%0.41349%0.491SS..  trans-76.6-55.7-172.700000113.4K389 A395 C399K389-A391 PolarHBondContact O-N 2.94Å; A391-A395 HydrophobicContact CB-CB 3.72Å; A391-C399 WeakPolarHBondContact CA-SG 3.28Å
392S92.8Very high92.6Very high35 Ų3585.5 Ų85.525%0.24547%0.472CS..  trans-166.3166.4172.4780000110.7F390 W394 A395F390-S392 VanDerWaalsContact CZ-C 3.49Å; S392-W394 PolarHBondContact O-N 2.88Å; S392-W394 PolarHBondContact OG-N 2.82Å; S392-A395 PolarHBondContact O-N 3.2Å; S392-A395 VanDerWaalsContact O-N 3.16Å; S392-A395 WeakPolarHBondContact OG-CB 3.19Å; S392-A395 PolarHBondContact OG-N 2.78Å
393P92.3Very high92.6Very high87 Ų8787.4 Ų87.457%0.56548%0.479SS*.THydrogen-bonded Turntrans-58.3-15.1172.6-25.336000115.6F390F390-P393 HydrophobicContact CE1-CG 4.44Å; F390-P393 HydrophobicContact CZ-CG 4.33Å
394W92.8Very high92.6Very high150 Ų15084.7 Ų84.757%0.56846%0.456SS*.THydrogen-bonded Turntrans-1121.2-178.8-47.7-82.5000113.4S392 A527 A530S392-W394 PolarHBondContact O-N 2.88Å; S392-W394 PolarHBondContact OG-N 2.82Å; W394-A527 HydrophobicContact CB-CB 3.64Å; W394-A527 HydrophobicContact CG-CB 4.04Å; W394-A530 HydrophobicContact CB-CB 4.48Å
395A90.8Very high92.5Very high37 Ų3787.3 Ų87.331%0.30647%0.474SS..  trans-92.4120-17600000111.3A391 S392 S397A391-A395 HydrophobicContact CB-CB 3.72Å; S392-A395 PolarHBondContact O-N 3.2Å; S392-A395 VanDerWaalsContact O-N 3.16Å; S392-A395 WeakPolarHBondContact OG-CB 3.19Å; S392-A395 PolarHBondContact OG-N 2.78Å; A395-S397 PolarHBondContact O-N 2.86Å; A395-S397 VanDerWaalsContact O-N 3.17Å
396S88.9Confident92.5Very high85 Ų8589.7 Ų89.759%0.59448%0.479SS*.SBendtrans-79.918.3175.6-380000113.7
397S90.2Very high92.6Very high82 Ų8294.9 Ų94.957%0.57350%0.501SS*.SBendtrans-153.4147.9179.7-68.70000110.6A395A395-S397 PolarHBondContact O-N 2.86Å; A395-S397 VanDerWaalsContact O-N 3.17Å
398P91.6Very high92.7Very high76 Ų7689.2 Ų89.249%0.49449%0.485SS..PPolyproline II helixtrans-69.7162.8174.530-35.6000112.5K389 R400K389-P398 HydrophobicContact CB-CB 4.04Å; K389-P398 CarbonylContact O-C 3.54Å; K389-P398 WeakPolarHBondContact O-CA 3.23Å; K389-P398 VanDerWaalsContact O-CB 3.24Å; K389-P398 WeakPolarHBondContact O-CB 3.42Å; P398-R400 PolarHBondContact O-N 2.88Å
399C92.4Very high93Very high31 Ų3188.8 Ų88.821%0.20948%0.482CS..PPolyproline II helixtrans-54.7132.2172.3-61.30000111K389 A391 I404K389-C399 PolarHBondContact O-N 3.27Å; A391-C399 WeakPolarHBondContact CA-SG 3.28Å; C399-I404 HydrophobicContact CB-CD1 3.88Å; C399-I404 HydrophobicContact CB-CG1 3.78Å
400R92.7Very high93Very high73 Ų7387.9 Ų87.928%0.27549%0.488SS..PPolyproline II helixtrans-86.5159.2171-50.2164.1-69.1-174.54.8108.7P398 Q402 D403 M441P398-R400 PolarHBondContact O-N 2.88Å; R400-Q402 HydrophobicContact CB-CG 4.47Å; R400-Q402 VanDerWaalsContact CB-OE1 3.23Å; R400-Q402 PolarHBondContact O-N 2.92Å; R400-Q402 VanDerWaalsContact O-N 3.11Å; R400-D403 WeakPolarHBondContact CA-OD2 3.37Å; R400-D403 WeakPolarHBondContact CB-OD2 3.49Å; R400-D403 WeakPolarHBondContact CG-OD2 3.12Å; R400-D403 IonicContact CZ-OD1 2.88Å; R400-D403 IonicContact CZ-OD2 3.24Å; R400-D403 PolarHBondContact N-OD2 3.31Å; R400-D403 IonicContact NE-OD1 3.64Å; R400-D403 PolarHBondContact NE-OD1 2.86Å; R400-D403 IonicContact NE-OD2 3.11Å; R400-D403 PolarHBondContact NE-OD2 2.6Å; R400-D403 IonicContact NH2-OD1 2.76Å; R400-D403 PolarHBondContact NH2-OD1 2.81Å; R400-D403 IonicContact NH2-OD2 3.4Å; R400-D403 WeakPolarHBondContact O-CB 3.38Å; R400-D403 PolarHBondContact O-N 3.48Å; R400-M441 WeakPolarHBondContact CD-O 3.4Å
401P92.4Very high93.1Very high99 Ų9989.8 Ų89.864%0.64350%0.498SS*.G310 helixtrans-55.5-31179.3-26.835.9000114.2D403 M441P401-D403 VanDerWaalsContact C-N 3.32Å; P401-M441 HydrophobicContact CG-CE 4.28Å
402Q92.4Very high93.3Very high81 Ų8195.6 Ų95.638%0.37951%0.511SS..G310 helixtrans-77.4-11.3176.170.8-88.826.100115R400 M441 N442R400-Q402 HydrophobicContact CB-CG 4.47Å; R400-Q402 VanDerWaalsContact CB-OE1 3.23Å; R400-Q402 PolarHBondContact O-N 2.92Å; R400-Q402 VanDerWaalsContact O-N 3.11Å; Q402-M441 PolarHBondContact NE2-O 3.25Å; Q402-N442 PolarHBondContact NE2-OD1 3.3Å
403D92.8Very high93.5Very high74 Ų7498.7 Ų98.740%0.39652%0.524SS..G310 helixtrans-92.1-10.7176.8-51.5-41.4000112.1R400 P401R400-D403 WeakPolarHBondContact CA-OD2 3.37Å; R400-D403 WeakPolarHBondContact CB-OD2 3.49Å; R400-D403 WeakPolarHBondContact CG-OD2 3.12Å; R400-D403 IonicContact CZ-OD1 2.88Å; R400-D403 IonicContact CZ-OD2 3.24Å; R400-D403 PolarHBondContact N-OD2 3.31Å; R400-D403 IonicContact NE-OD1 3.64Å; R400-D403 PolarHBondContact NE-OD1 2.86Å; R400-D403 IonicContact NE-OD2 3.11Å; R400-D403 PolarHBondContact NE-OD2 2.6Å; R400-D403 IonicContact NH2-OD1 2.76Å; R400-D403 PolarHBondContact NH2-OD1 2.81Å; R400-D403 IonicContact NH2-OD2 3.4Å; R400-D403 WeakPolarHBondContact O-CB 3.38Å; R400-D403 PolarHBondContact O-N 3.48Å; P401-D403 VanDerWaalsContact C-N 3.32Å
404I93.6Very high93.7Very high79 Ų7998 Ų9841%0.40552%0.518SS..SBendtrans-102.6109.9-175.9-57.9174.6000108.8C399 F406C399-I404 HydrophobicContact CB-CD1 3.88Å; C399-I404 HydrophobicContact CB-CG1 3.78Å; I404-F406 PolarHBondContact O-N 3.08Å
405D93Very high93.8Very high172 Ų17295.3 Ų95.392%0.9252%0.515SS*.  trans-61126.2170.5-77.8-42.9000110.5
406F93.9Very high94Very high164 Ų164100.3 Ų100.372%0.71954%0.535SS*.  trans-126.5140.6180-169.5-94.7000110.8I404 V408I404-F406 PolarHBondContact O-N 3.08Å; F406-V408 VanDerWaalsContact C-N 3.3Å; F406-V408 HydrophobicContact CD1-CG1 4.16Å; F406-V408 PolarHBondContact O-N 3.01Å
407H96.4Very high94.2Very high172 Ų172103.2 Ų103.280%0.79654%0.539SS*.  trans-73.684176.7-175.5-70.7000110.8
408V96.6Very high94.5Very high54 Ų54102.8 Ų102.833%0.32753%0.529SS..  trans-74.9151.9173.4-64.50000111.9F406 Y412 L413F406-V408 VanDerWaalsContact C-N 3.3Å; F406-V408 HydrophobicContact CD1-CG1 4.16Å; F406-V408 PolarHBondContact O-N 3.01Å; V408-Y412 HydrophobicContact CB-CD2 4.26Å; V408-L413 HydrophobicContact CG2-CD2 3.64Å; V408-L413 HydrophobicContact CG2-CG 4.25Å
409P97.5Very high94.6Very high64 Ų64108 Ų10842%0.41654%0.54SS..  trans-52.2145.2166.5-2634.5000112.3E411 Y412P409-E411 WeakPolarHBondContact CB-OE2 3.32Å; P409-E411 PolarHBondContact O-N 3.39Å; P409-E411 VanDerWaalsContact O-N 3.17Å; P409-Y412 HydrophobicContact CB-CD2 4.45Å; P409-Y412 HydrophobicContact CG-CD2 4.28Å; P409-Y412 HydrophobicContact CG-CE2 4.15Å; P409-Y412 PolarHBondContact O-N 2.75Å
410S94.8Very high94.8Very high82 Ų82114.3 Ų114.357%0.57357%0.571SS**G310 helixtrans-64.7-23.8-172.357.50000112.9Y412 L413S410-Y412 PolarHBondContact O-N 3.37Å; S410-L413 WeakPolarHBondContact O-CB 3.22Å; S410-L413 PolarHBondContact O-N 2.79Å; S410-L413 VanDerWaalsContact O-N 3.14Å
411E95.4Very high94.9Very high139 Ų139119.6 Ų119.665%0.6560%0.596SS**G310 helixtrans-62.5-26.2174.2-57.280.2-177.400112.6P409 T414P409-E411 WeakPolarHBondContact CB-OE2 3.32Å; P409-E411 PolarHBondContact O-N 3.39Å; P409-E411 VanDerWaalsContact O-N 3.17Å; E411-T414 WeakPolarHBondContact O-CG2 3.35Å
412Y96.7Very high95Very high171 Ų171119.9 Ų119.967%0.67159%0.591SS**G310 helixtrans-85.1-11.5177.6-61.4-21.6000113.5V408 P409 S410 T414V408-Y412 HydrophobicContact CB-CD2 4.26Å; P409-Y412 HydrophobicContact CB-CD2 4.45Å; P409-Y412 HydrophobicContact CG-CD2 4.28Å; P409-Y412 HydrophobicContact CG-CE2 4.15Å; P409-Y412 PolarHBondContact O-N 2.75Å; S410-Y412 PolarHBondContact O-N 3.37Å; Y412-T414 PolarHBondContact O-N 2.94Å
413L95.4Very high95.1Very high101 Ų101118.7 Ų118.753%0.52960%0.595SS.*  trans-76.250.1174.9-57.6178.3000111.5V408 S410 N415 I416V408-L413 HydrophobicContact CG2-CD2 3.64Å; V408-L413 HydrophobicContact CG2-CG 4.25Å; S410-L413 WeakPolarHBondContact O-CB 3.22Å; S410-L413 PolarHBondContact O-N 2.79Å; S410-L413 VanDerWaalsContact O-N 3.14Å; L413-N415 PolarHBondContact O-N 2.95Å; L413-I416 WeakPolarHBondContact O-CG2 3.48Å
414T96.4Very high95.1Very high71 Ų71118.6 Ų118.644%0.43661%0.605SS.*THydrogen-bonded Turntrans-67.1-31.9-170.3560000113.6E411 Y412 I416 H417 I418E411-T414 WeakPolarHBondContact O-CG2 3.35Å; Y412-T414 PolarHBondContact O-N 2.94Å; T414-I416 VanDerWaalsContact C-N 3.28Å; T414-I416 PolarHBondContact O-N 2.97Å; T414-I416 VanDerWaalsContact O-N 3.15Å; T414-H417 WeakPolarHBondContact O-CB 3.33Å; T414-H417 PolarHBondContact O-N 2.97Å; T414-I418 PolarHBondContact O-N 3.46Å; T414-I418 VanDerWaalsContact O-N 3.15Å
415N95.3Very high95.1Very high95 Ų95121.2 Ų121.251%0.50862%0.619SS.*Hα-helixtrans-53.2-41.1-171.5-17227.4000113L413 H417 I418 R419L413-N415 PolarHBondContact O-N 2.95Å; N415-H417 PolarHBondContact O-N 3.1Å; N415-I418 PolarHBondContact O-N 2.82Å; N415-R419 WeakPolarHBondContact O-CB 3.24Å; N415-R419 PolarHBondContact O-N 3.26Å
416I94.5Very high95.2Very high142 Ų142119.5 Ų119.573%0.72860%0.603SS**Hα-helixtrans-60.9-28.2178.5-164.7173.7000113.2L413 T414L413-I416 WeakPolarHBondContact O-CG2 3.48Å; T414-I416 VanDerWaalsContact C-N 3.28Å; T414-I416 PolarHBondContact O-N 2.97Å; T414-I416 VanDerWaalsContact O-N 3.15Å
417H94.6Very high95.2Very high146 Ų146112.9 Ų112.968%0.67658%0.575SS**Hα-helixtrans-94.9-28-176.3-55.7108.8000113.8T414 N415T414-H417 WeakPolarHBondContact O-CB 3.33Å; T414-H417 PolarHBondContact O-N 2.97Å; N415-H417 PolarHBondContact O-N 3.1Å
418I96.1Very high95.1Very high72 Ų72107.4 Ų107.437%0.36956%0.564SS.*Hα-helixtrans-121.84.4-170.672172.7000115T414 N415 D420 K421 L422T414-I418 PolarHBondContact O-N 3.46Å; T414-I418 VanDerWaalsContact O-N 3.15Å; N415-I418 PolarHBondContact O-N 2.82Å; I418-D420 VanDerWaalsContact C-N 3.29Å; I418-D420 PolarHBondContact O-N 3.24Å; I418-D420 VanDerWaalsContact O-N 3.1Å; I418-K421 CarbonylContact O-C 3.52Å; I418-K421 WeakPolarHBondContact O-CA 3.32Å; I418-K421 PolarHBondContact O-N 3.39Å; I418-L422 PolarHBondContact O-N 3.14Å
419R94.2Very high95.1Very high187 Ų187113.2 Ų113.271%0.70658%0.58SS**G310 helixtrans-42.4-50.1-175.4-171.5179.3-180-1770.2114.3N415 K421 L422N415-R419 WeakPolarHBondContact O-CB 3.24Å; N415-R419 PolarHBondContact O-N 3.26Å; R419-K421 VanDerWaalsContact C-N 3.27Å; R419-K421 PolarHBondContact O-N 3.22Å; R419-L422 PolarHBondContact O-N 3.33Å
420D95Very high95.1Very high162 Ų162113.1 Ų113.187%0.86657%0.572SS**G310 helixtrans-75.5-16.3-175.3-52.5-39.9000113.5I418I418-D420 VanDerWaalsContact C-N 3.29Å; I418-D420 PolarHBondContact O-N 3.24Å; I418-D420 VanDerWaalsContact O-N 3.1Å
421K95.6Very high95.2Very high184 Ų184111.5 Ų111.580%0.857%0.568SS**G310 helixtrans-98.9-15.4176.7-62.3176-177.5171.50112.3I418 R419 A423I418-K421 CarbonylContact O-C 3.52Å; I418-K421 WeakPolarHBondContact O-CA 3.32Å; I418-K421 PolarHBondContact O-N 3.39Å; R419-K421 VanDerWaalsContact C-N 3.27Å; R419-K421 PolarHBondContact O-N 3.22Å; K421-A423 PolarHBondContact O-N 2.89Å
422L95Very high95.2Very high105 Ų105107.6 Ų107.655%0.5555%0.55SS..SBendtrans-68.2126.8-177.8-175.361.1000109.9I418 R419 A424I418-L422 PolarHBondContact O-N 3.14Å; R419-L422 PolarHBondContact O-N 3.33Å; L422-A424 PolarHBondContact O-N 2.82Å
423A94.4Very high95.3Very high56 Ų56104 Ų10446%0.46354%0.543SS..PPolyproline II helixtrans-65.4127.4-179.400000111K421K421-A423 PolarHBondContact O-N 2.89Å
424A93.3Very high95.4Very high72 Ų72102.3 Ų102.360%0.59553%0.534SS*.PPolyproline II helixtrans-55.2139.7175.100000111.9L422 K426L422-A424 PolarHBondContact O-N 2.82Å; A424-K426 PolarHBondContact O-N 2.97Å
425I93.4Very high95.5Very high135 Ų13598.9 Ų98.969%0.69251%0.513SS*.PPolyproline II helixtrans-62.4121.3-179-62.3172.6000109.6Y430I425-Y430 WeakPolarHBondContact CA-OH 3.2Å; I425-Y430 HydrophobicContact CG2-CE2 4.1Å
426K94.6Very high95.6Very high136 Ų13694.4 Ų94.459%0.59149%0.489SS*.  trans-145.2103.3179.4-68.6-172.6-179.9-1730109.3A424 G428 R429A424-K426 PolarHBondContact O-N 2.97Å; K426-G428 VanDerWaalsContact C-N 3.26Å; K426-G428 PolarHBondContact O-N 2.99Å; K426-R429 HydrophobicContact CB-CG 4.4Å; K426-R429 WeakPolarHBondContact O-CB 3.47Å; K426-R429 PolarHBondContact O-N 2.95Å
427L93.3Very high95.8Very high25 Ų2592.5 Ų92.513%0.13147%0.473CS..G310 helixtrans-57.7-34.6-171.7-59.8-170.6000114R429 Y430 L435 L438 L450 E454 R458L427-R429 PolarHBondContact O-N 3.19Å; L427-Y430 HydrophobicContact CD2-CD2 3.73Å; L427-Y430 HydrophobicContact CD2-CE2 3.8Å; L427-Y430 WeakPolarHBondContact O-CB 3.27Å; L427-Y430 PolarHBondContact O-N 2.63Å; L427-L435 HydrophobicContact CB-CD2 4.03Å; L427-L435 HydrophobicContact CD2-CD2 4.39Å; L427-L438 HydrophobicContact CD2-CD1 3.67Å; L427-L450 HydrophobicContact CD1-CB 3.54Å; L427-L450 WeakPolarHBondContact CD1-O 3.49Å; L427-E454 HydrophobicContact CB-CB 4.3Å; L427-E454 HydrophobicContact CB-CG 4.17Å; L427-R458 PolarHBondContact O-NH2 2.66Å
428G94.9Very high95.9Very high56 Ų5686.6 Ų86.658%0.57745%0.447SS*.G310 helixtrans-60.3-12.2174.500000115.6K426 E454K426-G428 VanDerWaalsContact C-N 3.26Å; K426-G428 PolarHBondContact O-N 2.99Å; G428-E454 WeakPolarHBondContact CA-OE1 3.47Å
429R96.3Very high96Very high176 Ų17684.3 Ų84.366%0.66443%0.433SS*.G310 helixtrans-90.7-12172.1-71.5-175.956.6-168.7-7.2114.1K426 L427K426-R429 HydrophobicContact CB-CG 4.4Å; K426-R429 WeakPolarHBondContact O-CB 3.47Å; K426-R429 PolarHBondContact O-N 2.95Å; L427-R429 PolarHBondContact O-N 3.19Å
430Y97Very high96.1Very high63 Ų6378.4 Ų78.425%0.24741%0.412CS..SBendtrans-93.2150.4-172.4-59.2-30.9000111.7I425 L427 L434 R458I425-Y430 WeakPolarHBondContact CA-OH 3.2Å; I425-Y430 HydrophobicContact CG2-CE2 4.1Å; L427-Y430 HydrophobicContact CD2-CD2 3.73Å; L427-Y430 HydrophobicContact CD2-CE2 3.8Å; L427-Y430 WeakPolarHBondContact O-CB 3.27Å; L427-Y430 PolarHBondContact O-N 2.63Å; Y430-L434 HydrophobicContact CD1-CD2 3.89Å; Y430-L434 HydrophobicContact CD2-CD2 3.87Å; Y430-L434 HydrophobicContact CD2-CG 4.39Å; Y430-L434 HydrophobicContact CE1-CD2 4.35Å; Y430-L434 HydrophobicContact CE2-CD2 4.34Å; Y430-L434 HydrophobicContact CG-CD2 3.64Å; Y430-L434 HydrophobicContact CG-CG 4.38Å; Y430-R458 VanDerWaalsContact O-CZ 3.29Å; Y430-R458 PolarHBondContact O-NH1 2.78Å; Y430-R458 PolarHBondContact O-NH2 2.83Å
431G97.3Very high96.1Very high47 Ų4773.2 Ų73.249%0.48538%0.383SS..  trans-71.5163.5172.800000112.2D433 L434 L435G431-D433 VanDerWaalsContact C-N 3.27Å; G431-D433 PolarHBondContact O-N 3.23Å; G431-L434 PolarHBondContact O-N 3.05Å; G431-L435 PolarHBondContact O-N 2.7Å
432E96.9Very high96Very high57 Ų5765.1 Ų65.127%0.26635%0.348SS..Hα-helixtrans-56-40.7179.5-57-179.2139.400112.5L434 L435 F436 W460 K500E432-L434 PolarHBondContact O-N 2.82Å; E432-L435 CarbonylContact O-C 3.47Å; E432-L435 WeakPolarHBondContact O-CA 3.43Å; E432-L435 WeakPolarHBondContact O-CB 3.35Å; E432-L435 PolarHBondContact O-N 2.89Å; E432-F436 HydrophobicContact CB-CD2 4.35Å; E432-F436 HydrophobicContact CB-CE2 3.98Å; E432-F436 WeakPolarHBondContact O-CD2 3.47Å; E432-F436 PolarHBondContact O-N 3.1Å; E432-W460 PolarHBondContact OE1-NE1 3.17Å; E432-K500 IonicContact OE2-NZ 3.77Å; E432-K500 PolarHBondContact OE2-NZ 2.86Å
433D97.8Very high95.9Very high96 Ų9662.6 Ų62.651%0.51335%0.347SS..Hα-helixtrans-52.2-50.2177.7176.779.2000112.8G431 L435 F436 Y437 W498G431-D433 VanDerWaalsContact C-N 3.27Å; G431-D433 PolarHBondContact O-N 3.23Å; D433-L435 VanDerWaalsContact C-N 3.31Å; D433-L435 PolarHBondContact O-N 3.16Å; D433-F436 PolarHBondContact O-N 3.2Å; D433-Y437 PolarHBondContact O-N 3.23Å; D433-W498 PolarHBondContact OD1-NE1 2.88Å
434L97.5Very high95.6Very high65 Ų6563.9 Ų63.934%0.3437%0.366SS..Hα-helixtrans-69.1-29.2177-178.955.8000112.1Y430 G431 E432 Y437 L438Y430-L434 HydrophobicContact CD1-CD2 3.89Å; Y430-L434 HydrophobicContact CD2-CD2 3.87Å; Y430-L434 HydrophobicContact CD2-CG 4.39Å; Y430-L434 HydrophobicContact CE1-CD2 4.35Å; Y430-L434 HydrophobicContact CE2-CD2 4.34Å; Y430-L434 HydrophobicContact CG-CD2 3.64Å; Y430-L434 HydrophobicContact CG-CG 4.38Å; G431-L434 PolarHBondContact O-N 3.05Å; E432-L434 PolarHBondContact O-N 2.82Å; L434-Y437 HydrophobicContact CD1-CD1 4.05Å; L434-L438 HydrophobicContact CD1-CG 4.28Å; L434-L438 HydrophobicContact CG-CD1 4.44Å; L434-L438 WeakPolarHBondContact O-CB 3.44Å; L434-L438 VanDerWaalsContact O-CG 3.24Å; L434-L438 WeakPolarHBondContact O-CG 3.33Å; L434-L438 PolarHBondContact O-N 2.92Å
435L98Very high95.6Very high0 Ų063.7 Ų63.70%036%0.355CS..Hα-helixtrans-69.9-39.5173.2-61.7174000111.6L427 G431 E432 D433 L438 Y439 E454 L455 R458L427-L435 HydrophobicContact CB-CD2 4.03Å; L427-L435 HydrophobicContact CD2-CD2 4.39Å; G431-L435 PolarHBondContact O-N 2.7Å; E432-L435 CarbonylContact O-C 3.47Å; E432-L435 WeakPolarHBondContact O-CA 3.43Å; E432-L435 WeakPolarHBondContact O-CB 3.35Å; E432-L435 PolarHBondContact O-N 2.89Å; D433-L435 VanDerWaalsContact C-N 3.31Å; D433-L435 PolarHBondContact O-N 3.16Å; L435-L438 PolarHBondContact O-N 3.34Å; L435-Y439 VanDerWaalsContact O-CB 3.32Å; L435-Y439 WeakPolarHBondContact O-CB 3.38Å; L435-Y439 PolarHBondContact O-N 2.85Å; L435-E454 HydrophobicContact CD1-CB 4.17Å; L435-E454 HydrophobicContact CD1-CG 3.58Å; L435-E454 HydrophobicContact CD2-CB 4.21Å; L435-E454 HydrophobicContact CD2-CG 3.99Å; L435-E454 HydrophobicContact CG-CG 4.46Å; L435-L455 HydrophobicContact CB-CD1 4.43Å; L435-L455 HydrophobicContact CB-CD2 3.9Å; L435-L455 HydrophobicContact CB-CG 3.98Å; L435-L455 HydrophobicContact CD1-CD2 4.18Å; L435-L455 HydrophobicContact CD1-CG 4.39Å; L435-R458 VanDerWaalsContact CD1-CZ 3.49Å
436F98.3Very high95.5Very high1 Ų161.2 Ų61.20%0.00435%0.346CS..Hα-helixtrans-64.1-42.8172.2-68.6-55.9000111.6E432 D433 L438 Y439 Y440 L455 W460 W469 F493 W498E432-F436 HydrophobicContact CB-CD2 4.35Å; E432-F436 HydrophobicContact CB-CE2 3.98Å; E432-F436 WeakPolarHBondContact O-CD2 3.47Å; E432-F436 PolarHBondContact O-N 3.1Å; D433-F436 PolarHBondContact O-N 3.2Å; F436-L438 PolarHBondContact O-N 2.88Å; F436-Y439 PolarHBondContact O-N 3.21Å; F436-Y440 HydrophobicContact CB-CD2 4.38Å; F436-Y440 HydrophobicContact CD1-CE2 4.27Å; F436-Y440 VanDerWaalsContact O-CD2 3.31Å; F436-Y440 WeakPolarHBondContact O-CD2 3.22Å; F436-Y440 PolarHBondContact O-N 3.45Å; F436-L455 HydrophobicContact CD1-CD1 3.83Å; F436-L455 HydrophobicContact CD1-CD2 4.21Å; F436-L455 HydrophobicContact CE1-CD1 3.76Å; F436-L455 HydrophobicContact CE1-CD2 3.73Å; F436-L455 HydrophobicContact CE1-CG 4.41Å; F436-L455 HydrophobicContact CE2-CD2 4.29Å; F436-L455 HydrophobicContact CZ-CD2 3.78Å; F436-W460 HydrophobicContact CE1-CE3 4.43Å; F436-W460 HydrophobicContact CE2-CH2 4.19Å; F436-W460 HydrophobicContact CE2-CZ2 4.01Å; F436-W460 AromaticContact CZ-CD2 3.81Å; F436-W460 HydrophobicContact CZ-CD2 3.81Å; F436-W460 AromaticContact CZ-CE2 3.74Å; F436-W460 AromaticContact CZ-CE3 3.86Å; F436-W460 HydrophobicContact CZ-CE3 3.86Å; F436-W460 AromaticContact CZ-CH2 3.75Å; F436-W460 HydrophobicContact CZ-CH2 3.75Å; F436-W460 AromaticContact CZ-CZ2 3.72Å; F436-W460 HydrophobicContact CZ-CZ2 3.72Å; F436-W460 AromaticContact CZ-CZ3 3.83Å; F436-W460 HydrophobicContact CZ-CZ3 3.83Å; F436-W469 HydrophobicContact CD1-CG 4.49Å; F436-W469 HydrophobicContact CE1-CB 3.7Å; F436-W469 AromaticContact CE1-CD1 3.95Å; F436-W469 AromaticContact CE1-CG 3.83Å; F436-W469 HydrophobicContact CE1-CG 3.83Å; F436-W469 HydrophobicContact CZ-CB 4.41Å; F436-F493 HydrophobicContact CB-CD1 4.1Å; F436-F493 HydrophobicContact CB-CE1 3.71Å; F436-F493 HydrophobicContact CB-CE2 4.3Å; F436-F493 HydrophobicContact CB-CZ 3.83Å; F436-F493 HydrophobicContact CD1-CB 4.2Å; F436-F493 AromaticContact CD1-CD1 3.93Å; F436-F493 HydrophobicContact CD1-CD1 3.93Å; F436-F493 HydrophobicContact CD1-CD2 4.45Å; F436-F493 HydrophobicContact CD1-CE1 4.42Å; F436-F493 AromaticContact CD1-CG 3.93Å; F436-F493 HydrophobicContact CD1-CG 3.93Å; F436-F493 HydrophobicContact CD2-CB 4.44Å; F436-F493 HydrophobicContact CD2-CD1 4.15Å; F436-F493 AromaticContact CD2-CD2 3.39Å; F436-F493 HydrophobicContact CD2-CD2 3.39Å; F436-F493 HydrophobicContact CD2-CE1 4.24Å; F436-F493 AromaticContact CD2-CE2 3.51Å; F436-F493 HydrophobicContact CD2-CE2 3.51Å; F436-F493 AromaticContact CD2-CG 3.73Å; F436-F493 HydrophobicContact CD2-CG 3.73Å; F436-F493 AromaticContact CD2-CZ 3.94Å; F436-F493 HydrophobicContact CD2-CZ 3.94Å; F436-F493 HydrophobicContact CE1-CB 3.82Å; F436-F493 HydrophobicContact CE1-CD1 4.42Å; F436-F493 HydrophobicContact CE1-CG 4.01Å; F436-F493 HydrophobicContact CE2-CB 4.06Å; F436-F493 AromaticContact CE2-CD2 3.47Å; F436-F493 HydrophobicContact CE2-CD2 3.47Å; F436-F493 VanDerWaalsContact CE2-CD2 3.47Å; F436-F493 HydrophobicContact CE2-CE2 4.04Å; F436-F493 AromaticContact CE2-CG 3.8Å; F436-F493 HydrophobicContact CE2-CG 3.8Å; F436-F493 AromaticContact CG-CD1 3.8Å; F436-F493 HydrophobicContact CG-CD1 3.8Å; F436-F493 AromaticContact CG-CD2 3.92Å; F436-F493 HydrophobicContact CG-CD2 3.92Å; F436-F493 AromaticContact CG-CE1 3.89Å; F436-F493 HydrophobicContact CG-CE1 3.89Å; F436-F493 HydrophobicContact CG-CE2 4.02Å; F436-F493 AromaticContact CG-CG 3.8Å; F436-F493 HydrophobicContact CG-CG 3.8Å; F436-F493 AromaticContact CG-CZ 4Å; F436-F493 HydrophobicContact CG-CZ 4Å; F436-F493 HydrophobicContact CZ-CB 3.74Å; F436-F493 HydrophobicContact CZ-CD2 4.07Å; F436-F493 AromaticContact CZ-CG 3.94Å; F436-F493 HydrophobicContact CZ-CG 3.94Å; F436-W498 HydrophobicContact CB-CH2 4.18Å; F436-W498 HydrophobicContact CB-CZ2 4.3Å
437Y97.8Very high95.5Very high101 Ų10157.2 Ų57.240%0.39633%0.331SS..Hα-helixtrans-55.1-50.9172.1178.9-93.2000111.4D433 L434 Y439 M441D433-Y437 PolarHBondContact O-N 3.23Å; L434-Y437 HydrophobicContact CD1-CD1 4.05Å; Y437-Y439 VanDerWaalsContact C-N 3.34Å; Y437-Y439 PolarHBondContact O-N 3.06Å; Y437-M441 HydrophobicContact CD1-CG 4.42Å; Y437-M441 HydrophobicContact CD2-CG 3.83Å; Y437-M441 HydrophobicContact CE1-CG 4.22Å; Y437-M441 HydrophobicContact CE2-CG 3.61Å; Y437-M441 HydrophobicContact CE2-SD 4.34Å; Y437-M441 HydrophobicContact CG-CG 4.23Å; Y437-M441 WeakPolarHBondContact O-CB 3.41Å; Y437-M441 WeakPolarHBondContact O-CG 3.09Å; Y437-M441 PolarHBondContact O-N 2.99Å
438L97.2Very high95.6Very high23 Ų2358.1 Ų58.112%0.1233%0.334CS..Hα-helixtrans-64.6-36.3179.1-69.1177000113L427 L434 L435 F436 N442 L447 A451L427-L438 HydrophobicContact CD2-CD1 3.67Å; L434-L438 HydrophobicContact CD1-CG 4.28Å; L434-L438 HydrophobicContact CG-CD1 4.44Å; L434-L438 WeakPolarHBondContact O-CB 3.44Å; L434-L438 VanDerWaalsContact O-CG 3.24Å; L434-L438 WeakPolarHBondContact O-CG 3.33Å; L434-L438 PolarHBondContact O-N 2.92Å; L435-L438 PolarHBondContact O-N 3.34Å; F436-L438 PolarHBondContact O-N 2.88Å; L438-N442 WeakPolarHBondContact O-CB 3.38Å; L438-N442 PolarHBondContact O-N 2.91Å; L438-N442 PolarHBondContact O-ND2 3.28Å; L438-L447 HydrophobicContact CD1-CD1 4.42Å; L438-L447 HydrophobicContact CD2-CD2 3.88Å; L438-L447 HydrophobicContact CD2-CG 4.24Å; L438-A451 HydrophobicContact CB-CB 3.99Å
439Y97.4Very high95.7Very high23 Ų2357.9 Ų57.99%0.0932%0.32CS..Hα-helixtrans-68.1-48.2177.6176.7-92.1000112.6L435 F436 Y437 Q448 A452 Y462 W469L435-Y439 VanDerWaalsContact O-CB 3.32Å; L435-Y439 WeakPolarHBondContact O-CB 3.38Å; L435-Y439 PolarHBondContact O-N 2.85Å; F436-Y439 PolarHBondContact O-N 3.21Å; Y437-Y439 VanDerWaalsContact C-N 3.34Å; Y437-Y439 PolarHBondContact O-N 3.06Å; Y439-Q448 HydrophobicContact CD2-CG 3.7Å; Y439-Q448 HydrophobicContact CE2-CG 3.87Å; Y439-Q448 HydrophobicContact CG-CG 4.38Å; Y439-Q448 WeakPolarHBondContact O-CG 3.24Å; Y439-Q448 PolarHBondContact O-NE2 3.04Å; Y439-A452 HydrophobicContact CD2-CB 3.95Å; Y439-A452 HydrophobicContact CE2-CB 4Å; Y439-Y462 HydrophobicContact CE1-CE2 4.26Å; Y439-Y462 VanDerWaalsContact OH-CE2 3.24Å; Y439-Y462 WeakPolarHBondContact OH-CE2 3.39Å; Y439-W469 AromaticContact CD1-CD1 3.95Å; Y439-W469 AromaticContact CD1-NE1 3.28Å; Y439-W469 VanDerWaalsContact CD1-NE1 3.28Å; Y439-W469 AromaticContact CD2-CZ2 3.87Å; Y439-W469 HydrophobicContact CD2-CZ2 3.87Å; Y439-W469 AromaticContact CD2-NE1 3.66Å; Y439-W469 AromaticContact CE1-CD1 3.86Å; Y439-W469 AromaticContact CE1-NE1 3.15Å; Y439-W469 AromaticContact CE2-CE2 3.89Å; Y439-W469 AromaticContact CE2-CZ2 3.63Å; Y439-W469 HydrophobicContact CE2-CZ2 3.63Å; Y439-W469 AromaticContact CE2-NE1 3.55Å; Y439-W469 AromaticContact CG-NE1 3.55Å; Y439-W469 AromaticContact CZ-CE2 3.98Å; Y439-W469 AromaticContact CZ-NE1 3.3Å; Y439-W469 VanDerWaalsContact CZ-NE1 3.3Å
440Y96.8Very high95.6Very high64 Ų6452.8 Ų52.825%0.25131%0.305SS..Hα-helixtrans-79-30.1-176.1-75.9-71.3000113.2F436 F493 C495F436-Y440 HydrophobicContact CB-CD2 4.38Å; F436-Y440 HydrophobicContact CD1-CE2 4.27Å; F436-Y440 VanDerWaalsContact O-CD2 3.31Å; F436-Y440 WeakPolarHBondContact O-CD2 3.22Å; F436-Y440 PolarHBondContact O-N 3.45Å; Y440-F493 HydrophobicContact CD2-CE1 4.47Å; Y440-F493 AromaticContact CE2-CD1 3.86Å; Y440-F493 HydrophobicContact CE2-CD1 3.86Å; Y440-F493 HydrophobicContact CE2-CE1 4.19Å; Y440-C495 HydrophobicContact CD1-CB 4.27Å; Y440-C495 HydrophobicContact CD2-CB 4.05Å; Y440-C495 HydrophobicContact CE1-CB 4.03Å; Y440-C495 HydrophobicContact CE2-CB 3.82Å; Y440-C495 HydrophobicContact CG-CB 4.3Å
441M95.5Very high95.6Very high53 Ų5349.8 Ų49.826%0.26129%0.293SS..Hα-helixtrans-83.1-25.3-178.8-64.4-62.2-68.300114.1R400 P401 Q402 Y437R400-M441 WeakPolarHBondContact CD-O 3.4Å; P401-M441 HydrophobicContact CG-CE 4.28Å; Q402-M441 PolarHBondContact NE2-O 3.25Å; Y437-M441 HydrophobicContact CD1-CG 4.42Å; Y437-M441 HydrophobicContact CD2-CG 3.83Å; Y437-M441 HydrophobicContact CE1-CG 4.22Å; Y437-M441 HydrophobicContact CE2-CG 3.61Å; Y437-M441 HydrophobicContact CE2-SD 4.34Å; Y437-M441 HydrophobicContact CG-CG 4.23Å; Y437-M441 WeakPolarHBondContact O-CB 3.41Å; Y437-M441 WeakPolarHBondContact O-CG 3.09Å; Y437-M441 PolarHBondContact O-N 2.99Å
442N94.1Very high95.7Very high14 Ų1447.8 Ų47.88%0.07527%0.272CS..SBendtrans-107.246.2-172.8-55.7-70.7000112.6Q402 L438 G444 D445 L447 Q448Q402-N442 PolarHBondContact NE2-OD1 3.3Å; L438-N442 WeakPolarHBondContact O-CB 3.38Å; L438-N442 PolarHBondContact O-N 2.91Å; L438-N442 PolarHBondContact O-ND2 3.28Å; N442-G444 PolarHBondContact O-N 3.46Å; N442-D445 HydrophobicContact CB-CB 3.85Å; N442-D445 WeakPolarHBondContact O-CB 3.37Å; N442-D445 PolarHBondContact O-N 2.97Å; N442-L447 HydrophobicContact CB-CB 4.25Å; N442-Q448 HydrophobicContact CB-CB 4.38Å; N442-Q448 WeakPolarHBondContact O-CB 3.34Å
443G91.9Very high95.7Very high51 Ų5146.1 Ų46.153%0.52627%0.266SS..THydrogen-bonded Turntrans-51.7125.9178.100000112.9D445G443-D445 VanDerWaalsContact C-N 3.29Å; G443-D445 PolarHBondContact O-N 2.78Å
444G89.4Confident95.7Very high83 Ų8343.2 Ų43.286%0.85625%0.249SC*.THydrogen-bonded Turntrans78.16.1-178.800000115.2N442 Q448N442-G444 PolarHBondContact O-N 3.46Å; G444-Q448 VanDerWaalsContact N-OE1 3.09Å
445D91.3Very high95.7Very high68 Ų6840.1 Ų40.136%0.36423%0.233SC..SBendtrans-100.9153.8179.9-159.2-62.5000112N442 G443 L447 Q448 L449N442-D445 HydrophobicContact CB-CB 3.85Å; N442-D445 WeakPolarHBondContact O-CB 3.37Å; N442-D445 PolarHBondContact O-N 2.97Å; G443-D445 VanDerWaalsContact C-N 3.29Å; G443-D445 PolarHBondContact O-N 2.78Å; D445-L447 PolarHBondContact O-N 2.84Å; D445-L447 PolarHBondContact OD1-N 2.73Å; D445-Q448 PolarHBondContact O-N 3.4Å; D445-Q448 VanDerWaalsContact O-N 3.16Å; D445-L449 PolarHBondContact O-N 2.83Å
446V93Very high95.7Very high83 Ų8341.7 Ų41.750%0.50324%0.24SC..Hα-helixtrans-55.8-32.6168.2-1800000111.1Q448 L449 L450V446-Q448 VanDerWaalsContact C-N 3.34Å; V446-Q448 PolarHBondContact O-N 2.8Å; V446-L449 PolarHBondContact O-N 3.01Å; V446-L450 HydrophobicContact CG1-CD1 3.96Å; V446-L450 HydrophobicContact CG1-CG 4.11Å; V446-L450 WeakPolarHBondContact O-CG 3.44Å; V446-L450 PolarHBondContact O-N 3.3Å
447L94Very high95.6Very high53 Ų5345.6 Ų45.628%0.27726%0.261SS..Hα-helixtrans-66.2-32.7179.6-168.254.2000113.2L438 N442 D445 A451L438-L447 HydrophobicContact CD1-CD1 4.42Å; L438-L447 HydrophobicContact CD2-CD2 3.88Å; L438-L447 HydrophobicContact CD2-CG 4.24Å; N442-L447 HydrophobicContact CB-CB 4.25Å; D445-L447 PolarHBondContact O-N 2.84Å; D445-L447 PolarHBondContact OD1-N 2.73Å; L447-A451 WeakPolarHBondContact O-CB 3.49Å; L447-A451 PolarHBondContact O-N 3.36Å
448Q95.8Very high95.5Very high43 Ų4343.9 Ų43.920%0.20125%0.254CS..Hα-helixtrans-66-44171.2164.1177.671.300111Y439 N442 G444 D445 V446 A451 A452Y439-Q448 HydrophobicContact CD2-CG 3.7Å; Y439-Q448 HydrophobicContact CE2-CG 3.87Å; Y439-Q448 HydrophobicContact CG-CG 4.38Å; Y439-Q448 WeakPolarHBondContact O-CG 3.24Å; Y439-Q448 PolarHBondContact O-NE2 3.04Å; N442-Q448 HydrophobicContact CB-CB 4.38Å; N442-Q448 WeakPolarHBondContact O-CB 3.34Å; G444-Q448 VanDerWaalsContact N-OE1 3.09Å; D445-Q448 PolarHBondContact O-N 3.4Å; D445-Q448 VanDerWaalsContact O-N 3.16Å; V446-Q448 VanDerWaalsContact C-N 3.34Å; V446-Q448 PolarHBondContact O-N 2.8Å; Q448-A451 PolarHBondContact O-N 3.16Å; Q448-A452 WeakPolarHBondContact O-CB 3.34Å; Q448-A452 PolarHBondContact O-N 3.16Å
449L95.6Very high95.5Very high52 Ų5247.9 Ų47.927%0.27228%0.275SS..Hα-helixtrans-65-41177.1-67.6170.1000112.1D445 V446 A451 A452 V453 L518 P519D445-L449 PolarHBondContact O-N 2.83Å; V446-L449 PolarHBondContact O-N 3.01Å; L449-A451 VanDerWaalsContact C-N 3.35Å; L449-A451 PolarHBondContact O-N 3.46Å; L449-A452 WeakPolarHBondContact O-CB 3.35Å; L449-A452 PolarHBondContact O-N 3.22Å; L449-V453 WeakPolarHBondContact O-CG2 3.17Å; L449-V453 PolarHBondContact O-N 2.89Å; L449-L518 HydrophobicContact CB-CD2 3.79Å; L449-P519 VanDerWaalsContact CD1-CD 3.46Å; L449-P519 HydrophobicContact CD1-CG 4.12Å
450L95.8Very high95.5Very high69 Ų6946.8 Ų46.836%0.36127%0.271SS..Hα-helixtrans-64-39.8175.8-69.9172.1000111.7L427 V446 E454 L518L427-L450 HydrophobicContact CD1-CB 3.54Å; L427-L450 WeakPolarHBondContact CD1-O 3.49Å; V446-L450 HydrophobicContact CG1-CD1 3.96Å; V446-L450 HydrophobicContact CG1-CG 4.11Å; V446-L450 WeakPolarHBondContact O-CG 3.44Å; V446-L450 PolarHBondContact O-N 3.3Å; L450-E454 PolarHBondContact O-N 3.34Å; L450-E454 VanDerWaalsContact O-N 3.15Å; L450-L518 HydrophobicContact CD2-CD1 4.02Å; L450-L518 HydrophobicContact CD2-CD2 3.91Å; L450-L518 HydrophobicContact CG-CD2 4.26Å
451A97.4Very high95.5Very high0 Ų046.9 Ų46.90%027%0.271CS..Hα-helixtrans-64.6-41.2172.400000111.8L438 L447 Q448 L449 E454 L455L438-A451 HydrophobicContact CB-CB 3.99Å; L447-A451 WeakPolarHBondContact O-CB 3.49Å; L447-A451 PolarHBondContact O-N 3.36Å; Q448-A451 PolarHBondContact O-N 3.16Å; L449-A451 VanDerWaalsContact C-N 3.35Å; L449-A451 PolarHBondContact O-N 3.46Å; A451-E454 PolarHBondContact O-N 2.87Å; A451-L455 WeakPolarHBondContact O-CG 3.19Å; A451-L455 PolarHBondContact O-N 3.22Å
452A97.8Very high95.7Very high5 Ų545.8 Ų45.84%0.04126%0.264CS..Hα-helixtrans-62.2-42.7176.100000112.6Y439 Q448 L449 E454 L455 F456 W469 P516Y439-A452 HydrophobicContact CD2-CB 3.95Å; Y439-A452 HydrophobicContact CE2-CB 4Å; Q448-A452 WeakPolarHBondContact O-CB 3.34Å; Q448-A452 PolarHBondContact O-N 3.16Å; L449-A452 WeakPolarHBondContact O-CB 3.35Å; L449-A452 PolarHBondContact O-N 3.22Å; A452-E454 VanDerWaalsContact C-N 3.32Å; A452-E454 PolarHBondContact O-N 2.84Å; A452-L455 PolarHBondContact O-N 3.44Å; A452-F456 WeakPolarHBondContact O-CB 3.33Å; A452-F456 PolarHBondContact O-N 3.47Å; A452-W469 HydrophobicContact CB-CH2 3.82Å; A452-W469 HydrophobicContact CB-CZ2 3.62Å; A452-W469 WeakPolarHBondContact O-CH2 3.42Å; A452-P516 HydrophobicContact CB-CB 4.13Å; A452-P516 HydrophobicContact CB-CG 3.72Å
453V97.3Very high95.8Very high21 Ų2145.7 Ų45.713%0.12726%0.263CS..Hα-helixtrans-60.8-42.2174.1170.80000110.9L449 F456 N457 P516L449-V453 WeakPolarHBondContact O-CG2 3.17Å; L449-V453 PolarHBondContact O-N 2.89Å; V453-F456 WeakPolarHBondContact O-CB 3.19Å; V453-F456 PolarHBondContact O-N 3.33Å; V453-N457 PolarHBondContact O-N 3.2Å; V453-N457 PolarHBondContact O-ND2 3.2Å; V453-N457 PolarHBondContact O-OD1 3.45Å; V453-P516 HydrophobicContact CG2-CB 3.96Å; V453-P516 HydrophobicContact CG2-CG 4.47Å
454E97.3Very high96Very high35 Ų3548.1 Ų48.116%0.16426%0.259CS..Hα-helixtrans-73.4-34.1-179.2-175.757.9-163.600113L427 G428 L435 L450 A451 A452 N457 R458L427-E454 HydrophobicContact CB-CB 4.3Å; L427-E454 HydrophobicContact CB-CG 4.17Å; G428-E454 WeakPolarHBondContact CA-OE1 3.47Å; L435-E454 HydrophobicContact CD1-CB 4.17Å; L435-E454 HydrophobicContact CD1-CG 3.58Å; L435-E454 HydrophobicContact CD2-CB 4.21Å; L435-E454 HydrophobicContact CD2-CG 3.99Å; L435-E454 HydrophobicContact CG-CG 4.46Å; L450-E454 PolarHBondContact O-N 3.34Å; L450-E454 VanDerWaalsContact O-N 3.15Å; A451-E454 PolarHBondContact O-N 2.87Å; A452-E454 VanDerWaalsContact C-N 3.32Å; A452-E454 PolarHBondContact O-N 2.84Å; E454-N457 PolarHBondContact O-N 3.45Å; E454-N457 PolarHBondContact OE2-ND2 3.16Å; E454-N457 VanDerWaalsContact OE2-ND2 3.1Å; E454-R458 WeakPolarHBondContact O-CG 3.24Å; E454-R458 PolarHBondContact O-N 3.43Å; E454-R458 IonicContact OE1-CZ 2.79Å; E454-R458 VanDerWaalsContact OE1-CZ 3.24Å; E454-R458 IonicContact OE1-NE 3.38Å; E454-R458 PolarHBondContact OE1-NE 3.49Å; E454-R458 IonicContact OE1-NH2 2.99Å; E454-R458 PolarHBondContact OE1-NH2 3.26Å
455L97.9Very high96.4Very high0 Ų050 Ų500%025%0.246CC..Hα-helixtrans-62.5-43.7167.6-73.7169.9000110.8L435 F436 A451 A452 N457 R458 W460 W469L435-L455 HydrophobicContact CB-CD1 4.43Å; L435-L455 HydrophobicContact CB-CD2 3.9Å; L435-L455 HydrophobicContact CB-CG 3.98Å; L435-L455 HydrophobicContact CD1-CD2 4.18Å; L435-L455 HydrophobicContact CD1-CG 4.39Å; F436-L455 HydrophobicContact CD1-CD1 3.83Å; F436-L455 HydrophobicContact CD1-CD2 4.21Å; F436-L455 HydrophobicContact CE1-CD1 3.76Å; F436-L455 HydrophobicContact CE1-CD2 3.73Å; F436-L455 HydrophobicContact CE1-CG 4.41Å; F436-L455 HydrophobicContact CE2-CD2 4.29Å; F436-L455 HydrophobicContact CZ-CD2 3.78Å; A451-L455 WeakPolarHBondContact O-CG 3.19Å; A451-L455 PolarHBondContact O-N 3.22Å; A452-L455 PolarHBondContact O-N 3.44Å; L455-N457 VanDerWaalsContact C-N 3.34Å; L455-N457 PolarHBondContact O-N 3.42Å; L455-R458 CarbonylContact O-C 3.44Å; L455-R458 WeakPolarHBondContact O-CA 3.47Å; L455-R458 PolarHBondContact O-N 3.34Å; L455-W460 HydrophobicContact CB-CB 4.09Å; L455-W460 HydrophobicContact CD2-CG 4.28Å; L455-W460 WeakPolarHBondContact O-CB 3.26Å; L455-W460 PolarHBondContact O-N 3.42Å; L455-W460 VanDerWaalsContact O-N 3.16Å; L455-W469 HydrophobicContact CB-CE3 4.25Å; L455-W469 HydrophobicContact CB-CH2 4.06Å; L455-W469 HydrophobicContact CB-CZ2 4.38Å; L455-W469 HydrophobicContact CB-CZ3 3.98Å; L455-W469 HydrophobicContact CD1-CD2 4.04Å; L455-W469 HydrophobicContact CD1-CG 4.41Å; L455-W469 HydrophobicContact CD1-CH2 4.5Å; L455-W469 HydrophobicContact CD1-CZ2 3.99Å
456F97.5Very high96.6Very high34 Ų3451.5 Ų51.515%0.14925%0.251CS..Hα-helixtrans-61.1-40177-167.5-80.3000112.7A452 V453 R458 D459 W460 R461 R515A452-F456 WeakPolarHBondContact O-CB 3.33Å; A452-F456 PolarHBondContact O-N 3.47Å; V453-F456 WeakPolarHBondContact O-CB 3.19Å; V453-F456 PolarHBondContact O-N 3.33Å; F456-R458 PolarHBondContact O-N 3.05Å; F456-D459 PolarHBondContact O-N 2.86Å; F456-W460 WeakPolarHBondContact CA-O 3.47Å; F456-R461 VanDerWaalsContact CE2-CD 3.43Å; F456-R461 PolarHBondContact O-NH1 3.01Å; F456-R515 HydrophobicContact CD1-CB 4.25Å; F456-R515 HydrophobicContact CD1-CG 4.12Å; F456-R515 HydrophobicContact CE1-CB 3.89Å; F456-R515 HydrophobicContact CE1-CG 4.18Å; F456-R515 HydrophobicContact CE2-CB 4.3Å; F456-R515 HydrophobicContact CZ-CB 3.91Å
457N96.9Very high96.7Very high83 Ų8356.2 Ų56.244%0.44426%0.259SS..THydrogen-bonded Turntrans-61.7-17.5173.1-65.2-25.1000113.4V453 E454 L455V453-N457 PolarHBondContact O-N 3.2Å; V453-N457 PolarHBondContact O-ND2 3.2Å; V453-N457 PolarHBondContact O-OD1 3.45Å; E454-N457 PolarHBondContact O-N 3.45Å; E454-N457 PolarHBondContact OE2-ND2 3.16Å; E454-N457 VanDerWaalsContact OE2-ND2 3.1Å; L455-N457 VanDerWaalsContact C-N 3.34Å; L455-N457 PolarHBondContact O-N 3.42Å
458R96.8Very high96.9Very high64 Ų6454.7 Ų54.724%0.24225%0.252CS..THydrogen-bonded Turntrans-108.528.3-179.4-62.4171.1-171.5-157.55.4112.3L427 Y430 L435 E454 L455 F456 W460L427-R458 PolarHBondContact O-NH2 2.66Å; Y430-R458 VanDerWaalsContact O-CZ 3.29Å; Y430-R458 PolarHBondContact O-NH1 2.78Å; Y430-R458 PolarHBondContact O-NH2 2.83Å; L435-R458 VanDerWaalsContact CD1-CZ 3.49Å; E454-R458 WeakPolarHBondContact O-CG 3.24Å; E454-R458 PolarHBondContact O-N 3.43Å; E454-R458 IonicContact OE1-CZ 2.79Å; E454-R458 VanDerWaalsContact OE1-CZ 3.24Å; E454-R458 IonicContact OE1-NE 3.38Å; E454-R458 PolarHBondContact OE1-NE 3.49Å; E454-R458 IonicContact OE1-NH2 2.99Å; E454-R458 PolarHBondContact OE1-NH2 3.26Å; L455-R458 CarbonylContact O-C 3.44Å; L455-R458 WeakPolarHBondContact O-CA 3.47Å; L455-R458 PolarHBondContact O-N 3.34Å; F456-R458 PolarHBondContact O-N 3.05Å; R458-W460 PolarHBondContact O-N 2.93Å; R458-W460 VanDerWaalsContact O-N 3.16Å
459D96.1Very high97Very high107 Ų10752.8 Ų52.857%0.57224%0.243SC*.THydrogen-bonded Turntrans58.324.4178.7-65.8-49.1000115.9F456 R461 T471F456-D459 PolarHBondContact O-N 2.86Å; D459-R461 IonicContact OD1-NH2 3.7Å; D459-R461 PolarHBondContact OD1-NH2 3.4Å; D459-T471 WeakPolarHBondContact O-CB 3.43Å; D459-T471 PolarHBondContact O-OG1 3.17Å
460W97.8Very high97.1Very high0 Ų050.5 Ų50.50%023%0.231CC..  trans-84.4140.9162.2-65.985.1000110.6E432 F436 L455 F456 R458 W469 I470 T471 F493 K500E432-W460 PolarHBondContact OE1-NE1 3.17Å; F436-W460 HydrophobicContact CE1-CE3 4.43Å; F436-W460 HydrophobicContact CE2-CH2 4.19Å; F436-W460 HydrophobicContact CE2-CZ2 4.01Å; F436-W460 AromaticContact CZ-CD2 3.81Å; F436-W460 HydrophobicContact CZ-CD2 3.81Å; F436-W460 AromaticContact CZ-CE2 3.74Å; F436-W460 AromaticContact CZ-CE3 3.86Å; F436-W460 HydrophobicContact CZ-CE3 3.86Å; F436-W460 AromaticContact CZ-CH2 3.75Å; F436-W460 HydrophobicContact CZ-CH2 3.75Å; F436-W460 AromaticContact CZ-CZ2 3.72Å; F436-W460 HydrophobicContact CZ-CZ2 3.72Å; F436-W460 AromaticContact CZ-CZ3 3.83Å; F436-W460 HydrophobicContact CZ-CZ3 3.83Å; L455-W460 HydrophobicContact CB-CB 4.09Å; L455-W460 HydrophobicContact CD2-CG 4.28Å; L455-W460 WeakPolarHBondContact O-CB 3.26Å; L455-W460 PolarHBondContact O-N 3.42Å; L455-W460 VanDerWaalsContact O-N 3.16Å; F456-W460 WeakPolarHBondContact CA-O 3.47Å; R458-W460 PolarHBondContact O-N 2.93Å; R458-W460 VanDerWaalsContact O-N 3.16Å; W460-W469 HydrophobicContact CB-CE3 3.71Å; W460-W469 HydrophobicContact CB-CZ3 4.16Å; W460-W469 HydrophobicContact CE3-CB 3.85Å; W460-W469 HydrophobicContact CZ3-CB 4.35Å; W460-I470 CarbonylContact C-O 3.38Å; W460-I470 WeakPolarHBondContact CA-O 3.35Å; W460-T471 HydrophobicContact CD2-CG2 3.83Å; W460-T471 HydrophobicContact CE3-CG2 3.85Å; W460-T471 HydrophobicContact CH2-CG2 3.66Å; W460-T471 HydrophobicContact CZ2-CG2 3.6Å; W460-T471 HydrophobicContact CZ3-CG2 3.78Å; W460-F493 HydrophobicContact CH2-CB 4.48Å; W460-F493 HydrophobicContact CZ3-CB 4.28Å; W460-K500 HydrophobicContact CH2-CD 3.52Å; W460-K500 HydrophobicContact CH2-CG 4.04Å; W460-K500 HydrophobicContact CZ2-CD 3.58Å
461R97.4Very high97.2Very high66 Ų6648.4 Ų48.425%0.24922%0.221CC..EExtended strand (participates in β ladder)trans-127135.6174.2-59.2-64.6174.5-93.4-5.7108.3F456 D459 I470 L512F456-R461 VanDerWaalsContact CE2-CD 3.43Å; F456-R461 PolarHBondContact O-NH1 3.01Å; D459-R461 IonicContact OD1-NH2 3.7Å; D459-R461 PolarHBondContact OD1-NH2 3.4Å; R461-I470 PolarHBondContact N-O 3.24Å; R461-I470 PolarHBondContact O-N 2.85Å; R461-L512 HydrophobicContact CB-CD1 4.32Å; R461-L512 HydrophobicContact CB-CD2 4.35Å
462Y97.9Very high97Very high30 Ų3054.1 Ų54.112%0.11824%0.243CC..EExtended strand (participates in β ladder)trans-85.4134.6176.7-171.6-107.5000109.3Y439 R467 W469 L512 E513Y439-Y462 HydrophobicContact CE1-CE2 4.26Å; Y439-Y462 VanDerWaalsContact OH-CE2 3.24Å; Y439-Y462 WeakPolarHBondContact OH-CE2 3.39Å; Y462-R467 VanDerWaalsContact CE2-C 3.45Å; Y462-R467 WeakPolarHBondContact CE2-O 3.5Å; Y462-R467 VanDerWaalsContact OH-CA 3.27Å; Y462-R467 WeakPolarHBondContact OH-CA 3.09Å; Y462-R467 WeakPolarHBondContact OH-CB 3.2Å; Y462-R467 PolarHBondContact OH-O 3.11Å; Y462-W469 AromaticContact CD2-CD1 3.87Å; Y462-W469 AromaticContact CD2-CD2 3.99Å; Y462-W469 HydrophobicContact CD2-CD2 3.99Å; Y462-W469 AromaticContact CD2-CE2 3.87Å; Y462-W469 HydrophobicContact CD2-CG 4.02Å; Y462-W469 HydrophobicContact CD2-CZ2 4.48Å; Y462-W469 AromaticContact CD2-NE1 3.77Å; Y462-L512 CarbonylContact O-C 3.52Å; Y462-L512 WeakPolarHBondContact O-CA 3.49Å; Y462-E513 HydrophobicContact CD1-CB 4.48Å; Y462-E513 VanDerWaalsContact CD1-OE2 3.26Å; Y462-E513 WeakPolarHBondContact CD1-OE2 3.41Å; Y462-E513 PolarHBondContact O-N 3.42Å
463H97.5Very high96.6Very high13 Ų1354.2 Ų54.26%0.0624%0.244CC..BIsolated β-bridgetrans-97.2117.2176.5-168.6-60.8000109.3E465 E466 R467 V468 I470 L512H463-E465 VanDerWaalsContact C-N 3.34Å; H463-E465 PolarHBondContact ND1-N 3.36Å; H463-E465 PolarHBondContact O-N 2.94Å; H463-E466 HydrophobicContact CB-CB 4.27Å; H463-E466 PolarHBondContact ND1-N 3.26Å; H463-R467 VanDerWaalsContact O-CA 3.24Å; H463-R467 WeakPolarHBondContact O-CA 3.35Å; H463-R467 PolarHBondContact O-N 3.39Å; H463-V468 PolarHBondContact N-O 2.9Å; H463-I470 HydrophobicContact CB-CD1 3.82Å; H463-I470 HydrophobicContact CB-CG1 4.48Å; H463-L512 HydrophobicContact CB-CD2 4.21Å
464K96.5Very high96.3Very high102 Ų10258.9 Ų58.944%0.44327%0.274SS..THydrogen-bonded Turntrans-62.5-38-169.7-66.6178.3-67.8-168.80113.2R467 D510 K511 L512 E513K464-R467 WeakPolarHBondContact O-CG 3.25Å; K464-D510 WeakPolarHBondContact CE-O 3.4Å; K464-D510 PolarHBondContact NZ-O 3.15Å; K464-K511 WeakPolarHBondContact CB-O 3.46Å; K464-K511 WeakPolarHBondContact CE-O 3.43Å; K464-K511 WeakPolarHBondContact CG-O 3.09Å; K464-K511 PolarHBondContact N-O 3.46Å; K464-L512 WeakPolarHBondContact CE-O 3.41Å; K464-E513 HydrophobicContact CG-CB 4.19Å
465E96.2Very high95.8Very high122 Ų12261.2 Ų61.257%0.5731%0.308SS*.THydrogen-bonded Turntrans-87.6-49.7-177-62.4176.6162.900113.9H463 R467 K511H463-E465 VanDerWaalsContact C-N 3.34Å; H463-E465 PolarHBondContact ND1-N 3.36Å; H463-E465 PolarHBondContact O-N 2.94Å; E465-R467 PolarHBondContact O-N 3.41Å; E465-K511 HydrophobicContact CG-CD 4.42Å; E465-K511 WeakPolarHBondContact OE1-CE 3.48Å; E465-K511 IonicContact OE1-NZ 3.8Å; E465-K511 PolarHBondContact OE1-NZ 3.15Å; E465-K511 WeakPolarHBondContact OE2-CD 3.47Å; E465-K511 WeakPolarHBondContact OE2-CE 3.31Å; E465-K511 IonicContact OE2-NZ 3.28Å
466E95.4Very high95.4Very high100 Ų10066 Ų6647%0.46733%0.331SS..THydrogen-bonded Turntrans-68-15.4172.6-63.7-90.1121.800113.3H463 V468 K503H463-E466 HydrophobicContact CB-CB 4.27Å; H463-E466 PolarHBondContact ND1-N 3.26Å; E466-V468 VanDerWaalsContact C-N 3.28Å; E466-V468 HydrophobicContact CB-CG2 3.87Å; E466-V468 PolarHBondContact O-N 2.72Å; E466-K503 IonicContact OE2-NZ 3.14Å; E466-K503 PolarHBondContact OE2-NZ 3.01Å; E466-K503 VanDerWaalsContact OE2-NZ 3.11Å
467R96.6Very high95Very high181 Ų18172.7 Ų72.768%0.68336%0.363SS*.  trans58.430.3177.3-57.217990.4175.27.5115.1Y462 H463 K464 E465Y462-R467 VanDerWaalsContact CE2-C 3.45Å; Y462-R467 WeakPolarHBondContact CE2-O 3.5Å; Y462-R467 VanDerWaalsContact OH-CA 3.27Å; Y462-R467 WeakPolarHBondContact OH-CA 3.09Å; Y462-R467 WeakPolarHBondContact OH-CB 3.2Å; Y462-R467 PolarHBondContact OH-O 3.11Å; H463-R467 VanDerWaalsContact O-CA 3.24Å; H463-R467 WeakPolarHBondContact O-CA 3.35Å; H463-R467 PolarHBondContact O-N 3.39Å; K464-R467 WeakPolarHBondContact O-CG 3.25Å; E465-R467 PolarHBondContact O-N 3.41Å
468V97.4Very high94.6Very high21 Ų2170.2 Ų70.213%0.12735%0.351CS..  trans-122.5153.6-179.6-67.80000112.6H463 E466 I470 F492H463-V468 PolarHBondContact N-O 2.9Å; E466-V468 VanDerWaalsContact C-N 3.28Å; E466-V468 HydrophobicContact CB-CG2 3.87Å; E466-V468 PolarHBondContact O-N 2.72Å; V468-I470 HydrophobicContact CG2-CD1 4.15Å; V468-I470 HydrophobicContact CG2-CG1 3.95Å; V468-F492 HydrophobicContact CB-CD2 4.3Å; V468-F492 HydrophobicContact CG1-CD2 4.17Å; V468-F492 HydrophobicContact CG2-CB 4.32Å; V468-F492 HydrophobicContact CG2-CD2 4.41Å
469W98.3Very high94.3Very high3 Ų372.6 Ų72.61%0.01137%0.374CS..EExtended strand (participates in β ladder)trans-82130.9167.4-74.199000110.7F436 Y439 A452 L455 W460 Y462 F492 F493F436-W469 HydrophobicContact CD1-CG 4.49Å; F436-W469 HydrophobicContact CE1-CB 3.7Å; F436-W469 AromaticContact CE1-CD1 3.95Å; F436-W469 AromaticContact CE1-CG 3.83Å; F436-W469 HydrophobicContact CE1-CG 3.83Å; F436-W469 HydrophobicContact CZ-CB 4.41Å; Y439-W469 AromaticContact CD1-CD1 3.95Å; Y439-W469 AromaticContact CD1-NE1 3.28Å; Y439-W469 VanDerWaalsContact CD1-NE1 3.28Å; Y439-W469 AromaticContact CD2-CZ2 3.87Å; Y439-W469 HydrophobicContact CD2-CZ2 3.87Å; Y439-W469 AromaticContact CD2-NE1 3.66Å; Y439-W469 AromaticContact CE1-CD1 3.86Å; Y439-W469 AromaticContact CE1-NE1 3.15Å; Y439-W469 AromaticContact CE2-CE2 3.89Å; Y439-W469 AromaticContact CE2-CZ2 3.63Å; Y439-W469 HydrophobicContact CE2-CZ2 3.63Å; Y439-W469 AromaticContact CE2-NE1 3.55Å; Y439-W469 AromaticContact CG-NE1 3.55Å; Y439-W469 AromaticContact CZ-CE2 3.98Å; Y439-W469 AromaticContact CZ-NE1 3.3Å; Y439-W469 VanDerWaalsContact CZ-NE1 3.3Å; A452-W469 HydrophobicContact CB-CH2 3.82Å; A452-W469 HydrophobicContact CB-CZ2 3.62Å; A452-W469 WeakPolarHBondContact O-CH2 3.42Å; L455-W469 HydrophobicContact CB-CE3 4.25Å; L455-W469 HydrophobicContact CB-CH2 4.06Å; L455-W469 HydrophobicContact CB-CZ2 4.38Å; L455-W469 HydrophobicContact CB-CZ3 3.98Å; L455-W469 HydrophobicContact CD1-CD2 4.04Å; L455-W469 HydrophobicContact CD1-CG 4.41Å; L455-W469 HydrophobicContact CD1-CH2 4.5Å; L455-W469 HydrophobicContact CD1-CZ2 3.99Å; W460-W469 HydrophobicContact CB-CE3 3.71Å; W460-W469 HydrophobicContact CB-CZ3 4.16Å; W460-W469 HydrophobicContact CE3-CB 3.85Å; W460-W469 HydrophobicContact CZ3-CB 4.35Å; Y462-W469 AromaticContact CD2-CD1 3.87Å; Y462-W469 AromaticContact CD2-CD2 3.99Å; Y462-W469 HydrophobicContact CD2-CD2 3.99Å; Y462-W469 AromaticContact CD2-CE2 3.87Å; Y462-W469 HydrophobicContact CD2-CG 4.02Å; Y462-W469 HydrophobicContact CD2-CZ2 4.48Å; Y462-W469 AromaticContact CD2-NE1 3.77Å; W469-F492 CarbonylContact O-C 3.58Å; W469-F492 WeakPolarHBondContact O-CA 3.21Å; W469-F492 WeakPolarHBondContact O-CB 3.46Å; W469-F493 PolarHBondContact O-N 2.85Å
470I97.8Very high94.1Very high4 Ų471.8 Ų71.82%0.02137%0.367CS..EExtended strand (participates in β ladder)trans-126.3140.2-176.8-51.3-178.9000109.5W460 R461 H463 V468 Y490 Y491 F492 F505 L507W460-I470 CarbonylContact C-O 3.38Å; W460-I470 WeakPolarHBondContact CA-O 3.35Å; R461-I470 PolarHBondContact N-O 3.24Å; R461-I470 PolarHBondContact O-N 2.85Å; H463-I470 HydrophobicContact CB-CD1 3.82Å; H463-I470 HydrophobicContact CB-CG1 4.48Å; V468-I470 HydrophobicContact CG2-CD1 4.15Å; V468-I470 HydrophobicContact CG2-CG1 3.95Å; I470-Y490 HydrophobicContact CG2-CD1 4.04Å; I470-Y490 HydrophobicContact CG2-CG 3.95Å; I470-Y491 CarbonylContact C-O 3.57Å; I470-Y491 WeakPolarHBondContact CA-O 3.18Å; I470-F492 HydrophobicContact CG1-CB 4.11Å; I470-F505 HydrophobicContact CD1-CD1 3.92Å; I470-F505 HydrophobicContact CD1-CE1 3.7Å; I470-F505 HydrophobicContact CD1-CE2 4.42Å; I470-F505 HydrophobicContact CD1-CG 4.38Å; I470-F505 HydrophobicContact CD1-CZ 3.95Å; I470-F505 HydrophobicContact CG1-CZ 4.4Å; I470-F505 HydrophobicContact CG2-CE2 4.45Å; I470-L507 HydrophobicContact CD1-CD2 3.76Å; I470-L507 HydrophobicContact CG2-CD1 4.34Å
471T96.8Very high94Very high25 Ų2578.3 Ų78.315%0.15340%0.396CS..EExtended strand (participates in β ladder)trans-139.4157.4169.7-167.80000111.1D459 W460 Y490 Y491D459-T471 WeakPolarHBondContact O-CB 3.43Å; D459-T471 PolarHBondContact O-OG1 3.17Å; W460-T471 HydrophobicContact CD2-CG2 3.83Å; W460-T471 HydrophobicContact CE3-CG2 3.85Å; W460-T471 HydrophobicContact CH2-CG2 3.66Å; W460-T471 HydrophobicContact CZ2-CG2 3.6Å; W460-T471 HydrophobicContact CZ3-CG2 3.78Å; T471-Y490 WeakPolarHBondContact O-CA 3.38Å; T471-Y490 WeakPolarHBondContact O-CB 3.15Å; T471-Y491 PolarHBondContact N-O 2.67Å; T471-Y491 PolarHBondContact O-N 3.4Å
472R93.4Very high93.9Very high120 Ų12077.4 Ų77.445%0.45340%0.397SS..EExtended strand (participates in β ladder)trans-67.2137.7179-75.4-179.3-178.2158.77110.4E486 Y490R472-E486 IonicContact CZ-OE1 3.6Å; R472-E486 IonicContact CZ-OE2 2.66Å; R472-E486 IonicContact NE-OE1 3.57Å; R472-E486 PolarHBondContact NE-OE1 3.5Å; R472-E486 IonicContact NH2-OE1 3.22Å; R472-E486 PolarHBondContact NH2-OE1 3.01Å; R472-E486 IonicContact NH2-OE2 2.72Å; R472-E486 PolarHBondContact NH2-OE2 2.87Å; R472-Y490 HydrophobicContact CB-CD1 4.41Å; R472-Y490 HydrophobicContact CG-CD1 3.79Å; R472-Y490 HydrophobicContact CG-CE1 3.47Å; R472-Y490 VanDerWaalsContact CG-CE1 3.47Å
473A90.8Very high93.7Very high8 Ų883.7 Ų83.77%0.06643%0.433CS..PPolyproline II helixtrans-67.2128.9172.500000109.8G475 M476 Y491A473-G475 PolarHBondContact O-N 2.95Å; A473-M476 HydrophobicContact CB-CB 3.93Å; A473-M476 HydrophobicContact CB-CG 3.75Å; A473-M476 WeakPolarHBondContact O-CB 3.36Å; A473-M476 PolarHBondContact O-N 3.43Å; A473-Y491 HydrophobicContact CB-CD2 3.85Å; A473-Y491 HydrophobicContact CB-CE2 3.69Å
474P89.8Confident93.6Very high118 Ų11887.7 Ų87.777%0.76646%0.459SS*.THydrogen-bonded Turntrans-57.6126.9-177.6-27.336.2000112M476P474-M476 VanDerWaalsContact C-N 3.28Å; P474-M476 PolarHBondContact O-N 3.41Å
475G87.1Confident93.6Very high84 Ų8485.7 Ų85.787%0.86645%0.449SS*.THydrogen-bonded Turntrans78.90.8-177.700000115.6A473A473-G475 PolarHBondContact O-N 2.95Å
476M89.1Confident93.6Very high100 Ų10080.2 Ų80.249%0.49342%0.423SS..  trans-100.6113.7173.9-61.6-64.2-65.500110.1A473 P474A473-M476 HydrophobicContact CB-CB 3.93Å; A473-M476 HydrophobicContact CB-CG 3.75Å; A473-M476 WeakPolarHBondContact O-CB 3.36Å; A473-M476 PolarHBondContact O-N 3.43Å; P474-M476 VanDerWaalsContact C-N 3.28Å; P474-M476 PolarHBondContact O-N 3.41Å
477E88.8Confident93.6Very high175 Ų17580.6 Ų80.682%0.81842%0.42SS*.  trans-81.1149170.3-62.1-166.2153.700110.9T479E477-T479 PolarHBondContact O-N 3.46Å
478P89.4Confident93.5Very high31 Ų3172 Ų7220%0.20139%0.388CS..  trans-62.3126173.6-20.732.8000111.4M480 E486 R487P478-M480 PolarHBondContact O-N 2.95Å; P478-E486 HydrophobicContact CB-CB 4.16Å; P478-E486 HydrophobicContact CG-CB 4.48Å; P478-R487 CarbonylContact C-O 3.39Å; P478-R487 WeakPolarHBondContact CA-O 3.35Å
479T90.8Very high93.4Very high115 Ų11573.6 Ų73.671%0.70640%0.398SS*.SBendtrans-54.2-34.7175.9-42.80000112.6E477 R487E477-T479 PolarHBondContact O-N 3.46Å; T479-R487 PolarHBondContact N-O 3.44Å
480M92.3Very high93.3Very high89 Ų8973.7 Ų73.744%0.43840%0.398SS..EExtended strand (participates in β ladder)trans-136.3137.4173-61.7176.567.200109.4P478 E486 R487P478-M480 PolarHBondContact O-N 2.95Å; M480-E486 CarbonylContact O-C 3.53Å; M480-E486 VanDerWaalsContact O-CA 3.32Å; M480-E486 WeakPolarHBondContact O-CA 3.47Å; M480-R487 HydrophobicContact CB-CB 4.33Å; M480-R487 PolarHBondContact N-O 2.84Å; M480-R487 VanDerWaalsContact N-O 3.08Å; M480-R487 PolarHBondContact O-N 3.32Å
481K94Very high93.3Very high137 Ų13777.7 Ų77.760%0.59641%0.414SS*.EExtended strand (participates in β ladder)trans-137.2130.1172.5-172.5175.3-175.8-171.60109.8E486 Y509K481-E486 HydrophobicContact CB-CB 4.47Å; K481-E486 HydrophobicContact CG-CB 4.27Å; K481-Y509 WeakPolarHBondContact CE-OH 3.42Å
482T95.1Very high93.3Very high47 Ų4777.9 Ų77.929%0.28841%0.413SS..  trans-126.4-174.6177.170.60000109.5T484 Y485T482-T484 VanDerWaalsContact C-N 3.31Å; T482-T484 PolarHBondContact OG1-N 3.24Å; T482-Y485 HydrophobicContact CG2-CD1 4.28Å; T482-Y485 HydrophobicContact CG2-CE1 3.71Å; T482-Y485 HydrophobicContact CG2-CE2 4.03Å; T482-Y485 PolarHBondContact N-O 2.87Å; T482-Y485 VanDerWaalsContact OG1-CD1 3.23Å; T482-Y485 WeakPolarHBondContact OG1-CD1 3.32Å; T482-Y485 WeakPolarHBondContact OG1-CE1 3.08Å; T482-Y485 PolarHBondContact OG1-N 3.15Å; T482-Y485 PolarHBondContact OG1-O 3.32Å
483N94.6Very high93.5Very high163 Ų16372.5 Ų72.587%0.87239%0.393SS*.SBendtrans-76-17.9174.8-65.4-23000113.2
484T95.9Very high93.9Very high97 Ų9773.1 Ų73.160%0.59540%0.395SS*.SBendtrans-115.3-26.3-173.551.70000113.7T482 Y509T482-T484 VanDerWaalsContact C-N 3.31Å; T482-T484 PolarHBondContact OG1-N 3.24Å; T484-Y509 VanDerWaalsContact C-CD2 3.44Å; T484-Y509 WeakPolarHBondContact O-CD2 3.16Å; T484-Y509 PolarHBondContact O-N 3.38Å
485Y95.6Very high94.2Very high59 Ų5969.8 Ų69.823%0.23137%0.374CS..EExtended strand (participates in β ladder)trans-147.7160.117872.5-93.7000113T482 H506 L507T482-Y485 HydrophobicContact CG2-CD1 4.28Å; T482-Y485 HydrophobicContact CG2-CE1 3.71Å; T482-Y485 HydrophobicContact CG2-CE2 4.03Å; T482-Y485 PolarHBondContact N-O 2.87Å; T482-Y485 VanDerWaalsContact OG1-CD1 3.23Å; T482-Y485 WeakPolarHBondContact OG1-CD1 3.32Å; T482-Y485 WeakPolarHBondContact OG1-CE1 3.08Å; T482-Y485 PolarHBondContact OG1-N 3.15Å; T482-Y485 PolarHBondContact OG1-O 3.32Å; Y485-H506 AromaticContact CD2-CE1 3.23Å; Y485-H506 WeakPolarHBondContact CD2-CE1 3.33Å; Y485-H506 AromaticContact CD2-ND1 3.67Å; Y485-H506 AromaticContact CE2-CE1 3.58Å; Y485-H506 AromaticContact CG-CE1 3.49Å; Y485-H506 VanDerWaalsContact CG-CE1 3.49Å; Y485-H506 AromaticContact CG-NE2 3.96Å; Y485-L507 CarbonylContact C-O 3.57Å; Y485-L507 WeakPolarHBondContact CA-O 3.4Å; Y485-L507 WeakPolarHBondContact CB-O 3.49Å
486E95.7Very high94.6Very high7 Ų773.4 Ų73.43%0.03337%0.372CS..EExtended strand (participates in β ladder)trans-126152.9162.555.7-176.1-120.500111.9R472 P478 M480 K481 Y490 L507 Y509R472-E486 IonicContact CZ-OE1 3.6Å; R472-E486 IonicContact CZ-OE2 2.66Å; R472-E486 IonicContact NE-OE1 3.57Å; R472-E486 PolarHBondContact NE-OE1 3.5Å; R472-E486 IonicContact NH2-OE1 3.22Å; R472-E486 PolarHBondContact NH2-OE1 3.01Å; R472-E486 IonicContact NH2-OE2 2.72Å; R472-E486 PolarHBondContact NH2-OE2 2.87Å; P478-E486 HydrophobicContact CB-CB 4.16Å; P478-E486 HydrophobicContact CG-CB 4.48Å; M480-E486 CarbonylContact O-C 3.53Å; M480-E486 VanDerWaalsContact O-CA 3.32Å; M480-E486 WeakPolarHBondContact O-CA 3.47Å; K481-E486 HydrophobicContact CB-CB 4.47Å; K481-E486 HydrophobicContact CG-CB 4.27Å; E486-Y490 WeakPolarHBondContact CG-OH 3.46Å; E486-Y490 WeakPolarHBondContact OE1-CE1 3.4Å; E486-Y490 PolarHBondContact OE1-OH 2.9Å; E486-L507 HydrophobicContact CG-CB 4.21Å; E486-L507 PolarHBondContact N-O 2.88Å; E486-L507 PolarHBondContact O-N 3.23Å; E486-Y509 HydrophobicContact CB-CE1 4.43Å; E486-Y509 HydrophobicContact CG-CE1 3.68Å; E486-Y509 WeakPolarHBondContact OE2-CE1 3.42Å; E486-Y509 PolarHBondContact OE2-OH 3.28Å
487R95.5Very high95Very high109 Ų10973 Ų7341%0.41137%0.372SS..EExtended strand (participates in β ladder)trans-133133.9177.4-178179.9171.3166.50.6109.7P478 T479 M480 E504 F505P478-R487 CarbonylContact C-O 3.39Å; P478-R487 WeakPolarHBondContact CA-O 3.35Å; T479-R487 PolarHBondContact N-O 3.44Å; M480-R487 HydrophobicContact CB-CB 4.33Å; M480-R487 PolarHBondContact N-O 2.84Å; M480-R487 VanDerWaalsContact N-O 3.08Å; M480-R487 PolarHBondContact O-N 3.32Å; R487-E504 IonicContact CZ-OE1 2.7Å; R487-E504 IonicContact NE-OE1 2.7Å; R487-E504 PolarHBondContact NE-OE1 3.3Å; R487-E504 IonicContact NH2-OE1 3.71Å; R487-E504 PolarHBondContact NH2-OE1 3.32Å; R487-E504 IonicContact NH2-OE2 3.78Å; R487-F505 VanDerWaalsContact CA-O 3.32Å; R487-F505 WeakPolarHBondContact CA-O 3.46Å
488G94.6Very high95.4Very high1 Ų169.5 Ų69.51%0.0135%0.352CS..EExtended strand (participates in β ladder)trans173.5-169.8-176.300000112.6Y490 E504 F505G488-Y490 VanDerWaalsContact C-CE2 3.47Å; G488-Y490 VanDerWaalsContact O-CD2 3.22Å; G488-Y490 WeakPolarHBondContact O-CD2 3.47Å; G488-Y490 WeakPolarHBondContact O-CE2 3.45Å; G488-E504 WeakPolarHBondContact O-CA 3.24Å; G488-F505 PolarHBondContact N-O 2.8Å; G488-F505 PolarHBondContact O-N 3.17Å
489T95.4Very high95.8Very high54 Ų5474.3 Ų74.333%0.33137%0.366SS..EExtended strand (participates in β ladder)trans-94.5124.4177.3-55.90000110.8A502T489-A502 HydrophobicContact CG2-CB 4.38Å
490Y96.6Very high96.1Very high5 Ų573.8 Ų73.82%0.0235%0.353CS..EExtended strand (participates in β ladder)trans-126158.6-179-59.9-101.8000110.1I470 T471 R472 E486 G488 A502 K503 F505 L507I470-Y490 HydrophobicContact CG2-CD1 4.04Å; I470-Y490 HydrophobicContact CG2-CG 3.95Å; T471-Y490 WeakPolarHBondContact O-CA 3.38Å; T471-Y490 WeakPolarHBondContact O-CB 3.15Å; R472-Y490 HydrophobicContact CB-CD1 4.41Å; R472-Y490 HydrophobicContact CG-CD1 3.79Å; R472-Y490 HydrophobicContact CG-CE1 3.47Å; R472-Y490 VanDerWaalsContact CG-CE1 3.47Å; E486-Y490 WeakPolarHBondContact CG-OH 3.46Å; E486-Y490 WeakPolarHBondContact OE1-CE1 3.4Å; E486-Y490 PolarHBondContact OE1-OH 2.9Å; G488-Y490 VanDerWaalsContact C-CE2 3.47Å; G488-Y490 VanDerWaalsContact O-CD2 3.22Å; G488-Y490 WeakPolarHBondContact O-CD2 3.47Å; G488-Y490 WeakPolarHBondContact O-CE2 3.45Å; Y490-A502 WeakPolarHBondContact O-CA 3.33Å; Y490-K503 PolarHBondContact N-O 3.28Å; Y490-K503 PolarHBondContact O-N 3.18Å; Y490-F505 HydrophobicContact CD2-CB 3.92Å; Y490-F505 HydrophobicContact CD2-CD2 4.21Å; Y490-F505 HydrophobicContact CE2-CB 4.4Å; Y490-F505 HydrophobicContact CG-CD2 4.43Å; Y490-L507 HydrophobicContact CD1-CD1 3.72Å; Y490-L507 HydrophobicContact CD2-CD1 4.03Å; Y490-L507 HydrophobicContact CE1-CD1 3.4Å; Y490-L507 HydrophobicContact CE2-CD1 3.77Å; Y490-L507 HydrophobicContact CE2-CG 4.23Å; Y490-L507 HydrophobicContact CG-CD1 4.05Å; Y490-L507 VanDerWaalsContact CZ-CD1 3.48Å
491Y97.2Very high96.3Very high87 Ų8771.3 Ų71.334%0.34134%0.344SS..EExtended strand (participates in β ladder)trans-88.8131.4161.7-74.4-67.7000109.2I470 T471 A473 K500 V501 A502I470-Y491 CarbonylContact C-O 3.57Å; I470-Y491 WeakPolarHBondContact CA-O 3.18Å; T471-Y491 PolarHBondContact N-O 2.67Å; T471-Y491 PolarHBondContact O-N 3.4Å; A473-Y491 HydrophobicContact CB-CD2 3.85Å; A473-Y491 HydrophobicContact CB-CE2 3.69Å; Y491-K500 HydrophobicContact CD1-CB 4.26Å; Y491-V501 WeakPolarHBondContact CA-O 3.39Å; Y491-A502 HydrophobicContact CD1-CB 4.12Å; Y491-A502 HydrophobicContact CE1-CB 3.79Å
492F97.6Very high96.4Very high30 Ų3067.5 Ų67.513%0.13234%0.338CS..EExtended strand (participates in β ladder)trans-111.6154.8160.877.7-82000110.3V468 W469 I470 D494 K500 V501 K503 F505V468-F492 HydrophobicContact CB-CD2 4.3Å; V468-F492 HydrophobicContact CG1-CD2 4.17Å; V468-F492 HydrophobicContact CG2-CB 4.32Å; V468-F492 HydrophobicContact CG2-CD2 4.41Å; W469-F492 CarbonylContact O-C 3.58Å; W469-F492 WeakPolarHBondContact O-CA 3.21Å; W469-F492 WeakPolarHBondContact O-CB 3.46Å; I470-F492 HydrophobicContact CG1-CB 4.11Å; F492-D494 HydrophobicContact CD2-CB 4.5Å; F492-D494 HydrophobicContact CE2-CB 3.85Å; F492-D494 HydrophobicContact CZ-CB 4.41Å; F492-K500 WeakPolarHBondContact O-CA 3.42Å; F492-V501 HydrophobicContact CD1-CB 4.05Å; F492-V501 HydrophobicContact CD1-CG1 4.46Å; F492-V501 WeakPolarHBondContact CD1-O 3.38Å; F492-V501 HydrophobicContact CE1-CB 3.52Å; F492-V501 HydrophobicContact CE1-CG1 3.63Å; F492-V501 HydrophobicContact CE1-CG2 4.48Å; F492-V501 HydrophobicContact CZ-CB 3.81Å; F492-V501 HydrophobicContact CZ-CG1 4.04Å; F492-V501 HydrophobicContact CZ-CG2 4.3Å; F492-V501 PolarHBondContact N-O 2.95Å; F492-V501 PolarHBondContact O-N 3.3Å; F492-K503 HydrophobicContact CD1-CB 3.95Å; F492-K503 HydrophobicContact CD1-CD 4.33Å; F492-K503 HydrophobicContact CE1-CB 3.82Å; F492-K503 HydrophobicContact CE1-CD 3.91Å; F492-K503 HydrophobicContact CE1-CG 4.49Å; F492-F505 HydrophobicContact CB-CE2 4.08Å; F492-F505 HydrophobicContact CB-CZ 3.82Å; F492-F505 AromaticContact CD1-CE2 3.81Å; F492-F505 HydrophobicContact CD1-CE2 3.81Å; F492-F505 AromaticContact CD1-CZ 3.65Å; F492-F505 HydrophobicContact CD1-CZ 3.65Å; F492-F505 HydrophobicContact CE1-CZ 4.44Å; F492-F505 HydrophobicContact CG-CE2 4.29Å; F492-F505 AromaticContact CG-CZ 3.88Å; F492-F505 HydrophobicContact CG-CZ 3.88Å
493F98.3Very high96.5Very high7 Ų769.4 Ų69.43%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-89.4114172.1-170.2-96.1000110.1F436 Y440 W460 W469 C495 W498 K500F436-F493 HydrophobicContact CB-CD1 4.1Å; F436-F493 HydrophobicContact CB-CE1 3.71Å; F436-F493 HydrophobicContact CB-CE2 4.3Å; F436-F493 HydrophobicContact CB-CZ 3.83Å; F436-F493 HydrophobicContact CD1-CB 4.2Å; F436-F493 AromaticContact CD1-CD1 3.93Å; F436-F493 HydrophobicContact CD1-CD1 3.93Å; F436-F493 HydrophobicContact CD1-CD2 4.45Å; F436-F493 HydrophobicContact CD1-CE1 4.42Å; F436-F493 AromaticContact CD1-CG 3.93Å; F436-F493 HydrophobicContact CD1-CG 3.93Å; F436-F493 HydrophobicContact CD2-CB 4.44Å; F436-F493 HydrophobicContact CD2-CD1 4.15Å; F436-F493 AromaticContact CD2-CD2 3.39Å; F436-F493 HydrophobicContact CD2-CD2 3.39Å; F436-F493 HydrophobicContact CD2-CE1 4.24Å; F436-F493 AromaticContact CD2-CE2 3.51Å; F436-F493 HydrophobicContact CD2-CE2 3.51Å; F436-F493 AromaticContact CD2-CG 3.73Å; F436-F493 HydrophobicContact CD2-CG 3.73Å; F436-F493 AromaticContact CD2-CZ 3.94Å; F436-F493 HydrophobicContact CD2-CZ 3.94Å; F436-F493 HydrophobicContact CE1-CB 3.82Å; F436-F493 HydrophobicContact CE1-CD1 4.42Å; F436-F493 HydrophobicContact CE1-CG 4.01Å; F436-F493 HydrophobicContact CE2-CB 4.06Å; F436-F493 AromaticContact CE2-CD2 3.47Å; F436-F493 HydrophobicContact CE2-CD2 3.47Å; F436-F493 VanDerWaalsContact CE2-CD2 3.47Å; F436-F493 HydrophobicContact CE2-CE2 4.04Å; F436-F493 AromaticContact CE2-CG 3.8Å; F436-F493 HydrophobicContact CE2-CG 3.8Å; F436-F493 AromaticContact CG-CD1 3.8Å; F436-F493 HydrophobicContact CG-CD1 3.8Å; F436-F493 AromaticContact CG-CD2 3.92Å; F436-F493 HydrophobicContact CG-CD2 3.92Å; F436-F493 AromaticContact CG-CE1 3.89Å; F436-F493 HydrophobicContact CG-CE1 3.89Å; F436-F493 HydrophobicContact CG-CE2 4.02Å; F436-F493 AromaticContact CG-CG 3.8Å; F436-F493 HydrophobicContact CG-CG 3.8Å; F436-F493 AromaticContact CG-CZ 4Å; F436-F493 HydrophobicContact CG-CZ 4Å; F436-F493 HydrophobicContact CZ-CB 3.74Å; F436-F493 HydrophobicContact CZ-CD2 4.07Å; F436-F493 AromaticContact CZ-CG 3.94Å; F436-F493 HydrophobicContact CZ-CG 3.94Å; Y440-F493 HydrophobicContact CD2-CE1 4.47Å; Y440-F493 AromaticContact CE2-CD1 3.86Å; Y440-F493 HydrophobicContact CE2-CD1 3.86Å; Y440-F493 HydrophobicContact CE2-CE1 4.19Å; W460-F493 HydrophobicContact CH2-CB 4.48Å; W460-F493 HydrophobicContact CZ3-CB 4.28Å; W469-F493 PolarHBondContact O-N 2.85Å; F493-C495 HydrophobicContact CD1-CB 4.3Å; F493-C495 HydrophobicContact CE1-CB 4.2Å; F493-C495 PolarHBondContact O-N 3.27Å; F493-W498 HydrophobicContact CE1-CD2 4.27Å; F493-W498 HydrophobicContact CE1-CE3 4.01Å; F493-W498 HydrophobicContact CE1-CH2 4.1Å; F493-W498 HydrophobicContact CE1-CZ2 4.37Å; F493-W498 AromaticContact CE1-CZ3 3.93Å; F493-W498 HydrophobicContact CE1-CZ3 3.93Å; F493-W498 AromaticContact CZ-CD2 3.78Å; F493-W498 HydrophobicContact CZ-CD2 3.78Å; F493-W498 AromaticContact CZ-CE2 3.74Å; F493-W498 HydrophobicContact CZ-CE3 4.01Å; F493-W498 HydrophobicContact CZ-CG 4.24Å; F493-W498 HydrophobicContact CZ-CH2 4.12Å; F493-W498 AromaticContact CZ-CZ2 3.92Å; F493-W498 HydrophobicContact CZ-CZ2 3.92Å; F493-W498 HydrophobicContact CZ-CZ3 4.18Å; F493-K500 HydrophobicContact CD2-CG 4.07Å
494D97.6Very high96.5Very high21 Ų2166.5 Ų66.511%0.11232%0.323CS..EExtended strand (participates in β ladder)trans-85.3101.9173.5177.5-11.9000108.1F492 L496 N497 W498 R499 V501F492-D494 HydrophobicContact CD2-CB 4.5Å; F492-D494 HydrophobicContact CE2-CB 3.85Å; F492-D494 HydrophobicContact CZ-CB 4.41Å; D494-L496 VanDerWaalsContact C-N 3.3Å; D494-L496 PolarHBondContact OD1-N 3.29Å; D494-L496 VanDerWaalsContact OD1-N 3.1Å; D494-N497 PolarHBondContact OD1-N 3.31Å; D494-N497 PolarHBondContact OD1-ND2 2.93Å; D494-N497 WeakPolarHBondContact OD2-CB 3.41Å; D494-N497 PolarHBondContact OD2-ND2 3.38Å; D494-W498 VanDerWaalsContact O-CA 3.25Å; D494-W498 WeakPolarHBondContact O-CA 3.39Å; D494-W498 PolarHBondContact O-N 2.76Å; D494-R499 HydrophobicContact CB-CG 4.27Å; D494-R499 WeakPolarHBondContact CB-O 3.37Å; D494-R499 PolarHBondContact N-O 3.02Å; D494-R499 PolarHBondContact O-N 2.92Å; D494-R499 IonicContact OD2-NE 2.78Å; D494-R499 IonicContact OD2-NH2 2.72Å; D494-V501 HydrophobicContact CB-CG2 3.8Å
495C96.8Very high96.5Very high48 Ų4862.4 Ų62.432%0.32430%0.297SS..THydrogen-bonded Turntrans-74.1-18.5-178.959.90000113.6Y440 F493Y440-C495 HydrophobicContact CD1-CB 4.27Å; Y440-C495 HydrophobicContact CD2-CB 4.05Å; Y440-C495 HydrophobicContact CE1-CB 4.03Å; Y440-C495 HydrophobicContact CE2-CB 3.82Å; Y440-C495 HydrophobicContact CG-CB 4.3Å; F493-C495 HydrophobicContact CD1-CB 4.3Å; F493-C495 HydrophobicContact CE1-CB 4.2Å; F493-C495 PolarHBondContact O-N 3.27Å
496L96.3Very high96.5Very high159 Ų15964 Ų6483%0.83231%0.306SS*.THydrogen-bonded Turntrans-78.7-40.9177.8-60.2176.9000111.1D494D494-L496 VanDerWaalsContact C-N 3.3Å; D494-L496 PolarHBondContact OD1-N 3.29Å; D494-L496 VanDerWaalsContact OD1-N 3.1Å
497N97.2Very high96.5Very high92 Ų9263.9 Ų63.949%0.49231%0.306SS..THydrogen-bonded Turntrans-98.77.4176.5-61.6-79.6000113.6D494 R499D494-N497 PolarHBondContact OD1-N 3.31Å; D494-N497 PolarHBondContact OD1-ND2 2.93Å; D494-N497 WeakPolarHBondContact OD2-CB 3.41Å; D494-N497 PolarHBondContact OD2-ND2 3.38Å; N497-R499 HydrophobicContact CB-CG 4Å; N497-R499 PolarHBondContact ND2-NH2 3.1Å; N497-R499 PolarHBondContact O-N 2.76Å
498W97.5Very high96.5Very high102 Ų10262.6 Ų62.639%0.38631%0.305SS..THydrogen-bonded Turntrans4552.5-179.1-153.7-96.7000115D433 F436 F493 D494D433-W498 PolarHBondContact OD1-NE1 2.88Å; F436-W498 HydrophobicContact CB-CH2 4.18Å; F436-W498 HydrophobicContact CB-CZ2 4.3Å; F493-W498 HydrophobicContact CE1-CD2 4.27Å; F493-W498 HydrophobicContact CE1-CE3 4.01Å; F493-W498 HydrophobicContact CE1-CH2 4.1Å; F493-W498 HydrophobicContact CE1-CZ2 4.37Å; F493-W498 AromaticContact CE1-CZ3 3.93Å; F493-W498 HydrophobicContact CE1-CZ3 3.93Å; F493-W498 AromaticContact CZ-CD2 3.78Å; F493-W498 HydrophobicContact CZ-CD2 3.78Å; F493-W498 AromaticContact CZ-CE2 3.74Å; F493-W498 HydrophobicContact CZ-CE3 4.01Å; F493-W498 HydrophobicContact CZ-CG 4.24Å; F493-W498 HydrophobicContact CZ-CH2 4.12Å; F493-W498 AromaticContact CZ-CZ2 3.92Å; F493-W498 HydrophobicContact CZ-CZ2 3.92Å; F493-W498 HydrophobicContact CZ-CZ3 4.18Å; D494-W498 VanDerWaalsContact O-CA 3.25Å; D494-W498 WeakPolarHBondContact O-CA 3.39Å; D494-W498 PolarHBondContact O-N 2.76Å
499R97.1Very high96.6Very high131 Ų13166.2 Ų66.249%0.49432%0.318SS..EExtended strand (participates in β ladder)trans-152.1157.5-173.865.6-176.6179.8-152.2-8.3113.8D494 N497 V501D494-R499 HydrophobicContact CB-CG 4.27Å; D494-R499 WeakPolarHBondContact CB-O 3.37Å; D494-R499 PolarHBondContact N-O 3.02Å; D494-R499 PolarHBondContact O-N 2.92Å; D494-R499 IonicContact OD2-NE 2.78Å; D494-R499 IonicContact OD2-NH2 2.72Å; N497-R499 HydrophobicContact CB-CG 4Å; N497-R499 PolarHBondContact ND2-NH2 3.1Å; N497-R499 PolarHBondContact O-N 2.76Å; R499-V501 HydrophobicContact CG-CG2 3.79Å
500K97Very high96.6Very high104 Ų10469.3 Ų69.345%0.45233%0.333SS..EExtended strand (participates in β ladder)trans-82.4126.7167.8-63.9-167.8-70.7-171.20109.9E432 W460 Y491 F492 F493E432-K500 IonicContact OE2-NZ 3.77Å; E432-K500 PolarHBondContact OE2-NZ 2.86Å; W460-K500 HydrophobicContact CH2-CD 3.52Å; W460-K500 HydrophobicContact CH2-CG 4.04Å; W460-K500 HydrophobicContact CZ2-CD 3.58Å; Y491-K500 HydrophobicContact CD1-CB 4.26Å; F492-K500 WeakPolarHBondContact O-CA 3.42Å; F493-K500 HydrophobicContact CD2-CG 4.07Å
501V97.4Very high96.6Very high38 Ų3871.4 Ų71.423%0.2334%0.342CS..EExtended strand (participates in β ladder)trans-119.8129.9-178.1-178.70000109.4Y491 F492 D494 R499Y491-V501 WeakPolarHBondContact CA-O 3.39Å; F492-V501 HydrophobicContact CD1-CB 4.05Å; F492-V501 HydrophobicContact CD1-CG1 4.46Å; F492-V501 WeakPolarHBondContact CD1-O 3.38Å; F492-V501 HydrophobicContact CE1-CB 3.52Å; F492-V501 HydrophobicContact CE1-CG1 3.63Å; F492-V501 HydrophobicContact CE1-CG2 4.48Å; F492-V501 HydrophobicContact CZ-CB 3.81Å; F492-V501 HydrophobicContact CZ-CG1 4.04Å; F492-V501 HydrophobicContact CZ-CG2 4.3Å; F492-V501 PolarHBondContact N-O 2.95Å; F492-V501 PolarHBondContact O-N 3.3Å; D494-V501 HydrophobicContact CB-CG2 3.8Å; R499-V501 HydrophobicContact CG-CG2 3.79Å
502A96.5Very high96.6Very high57 Ų5768.5 Ų68.547%0.47133%0.332SS..EExtended strand (participates in β ladder)trans-78.5127.7171.400000110T489 Y490 Y491T489-A502 HydrophobicContact CG2-CB 4.38Å; Y490-A502 WeakPolarHBondContact O-CA 3.33Å; Y491-A502 HydrophobicContact CD1-CB 4.12Å; Y491-A502 HydrophobicContact CE1-CB 3.79Å
503K95.5Very high96.4Very high87 Ų8770.9 Ų70.938%0.37834%0.344SS..EExtended strand (participates in β ladder)trans-145.1148.7177.5176.1-178169.3-163.50109E466 Y490 F492 F505E466-K503 IonicContact OE2-NZ 3.14Å; E466-K503 PolarHBondContact OE2-NZ 3.01Å; E466-K503 VanDerWaalsContact OE2-NZ 3.11Å; Y490-K503 PolarHBondContact N-O 3.28Å; Y490-K503 PolarHBondContact O-N 3.18Å; F492-K503 HydrophobicContact CD1-CB 3.95Å; F492-K503 HydrophobicContact CD1-CD 4.33Å; F492-K503 HydrophobicContact CE1-CB 3.82Å; F492-K503 HydrophobicContact CE1-CD 3.91Å; F492-K503 HydrophobicContact CE1-CG 4.49Å; K503-F505 HydrophobicContact CB-CD2 4.19Å; K503-F505 HydrophobicContact CB-CE2 3.67Å; K503-F505 HydrophobicContact CB-CZ 4.23Å; K503-F505 HydrophobicContact CD-CE1 4.1Å; K503-F505 HydrophobicContact CD-CE2 4.01Å; K503-F505 HydrophobicContact CD-CZ 3.71Å; K503-F505 HydrophobicContact CG-CD2 4.28Å; K503-F505 HydrophobicContact CG-CE2 3.96Å; K503-F505 HydrophobicContact CG-CZ 4.19Å; K503-F505 WeakPolarHBondContact O-CD2 3.37Å
504E95.3Very high96.3Very high102 Ų10277.4 Ų77.448%0.47738%0.375SS..EExtended strand (participates in β ladder)trans-76.2128.9169-168.6-173.6173.200109.1R487 G488R487-E504 IonicContact CZ-OE1 2.7Å; R487-E504 IonicContact NE-OE1 2.7Å; R487-E504 PolarHBondContact NE-OE1 3.3Å; R487-E504 IonicContact NH2-OE1 3.71Å; R487-E504 PolarHBondContact NH2-OE1 3.32Å; R487-E504 IonicContact NH2-OE2 3.78Å; G488-E504 WeakPolarHBondContact O-CA 3.24Å
505F95.8Very high96Very high11 Ų1183 Ų835%0.04839%0.394CS..EExtended strand (participates in β ladder)trans-123.9147.8176.6-72.1-92.8000111.3I470 R487 G488 Y490 F492 K503 L507I470-F505 HydrophobicContact CD1-CD1 3.92Å; I470-F505 HydrophobicContact CD1-CE1 3.7Å; I470-F505 HydrophobicContact CD1-CE2 4.42Å; I470-F505 HydrophobicContact CD1-CG 4.38Å; I470-F505 HydrophobicContact CD1-CZ 3.95Å; I470-F505 HydrophobicContact CG1-CZ 4.4Å; I470-F505 HydrophobicContact CG2-CE2 4.45Å; R487-F505 VanDerWaalsContact CA-O 3.32Å; R487-F505 WeakPolarHBondContact CA-O 3.46Å; G488-F505 PolarHBondContact N-O 2.8Å; G488-F505 PolarHBondContact O-N 3.17Å; Y490-F505 HydrophobicContact CD2-CB 3.92Å; Y490-F505 HydrophobicContact CD2-CD2 4.21Å; Y490-F505 HydrophobicContact CE2-CB 4.4Å; Y490-F505 HydrophobicContact CG-CD2 4.43Å; F492-F505 HydrophobicContact CB-CE2 4.08Å; F492-F505 HydrophobicContact CB-CZ 3.82Å; F492-F505 AromaticContact CD1-CE2 3.81Å; F492-F505 HydrophobicContact CD1-CE2 3.81Å; F492-F505 AromaticContact CD1-CZ 3.65Å; F492-F505 HydrophobicContact CD1-CZ 3.65Å; F492-F505 HydrophobicContact CE1-CZ 4.44Å; F492-F505 HydrophobicContact CG-CE2 4.29Å; F492-F505 AromaticContact CG-CZ 3.88Å; F492-F505 HydrophobicContact CG-CZ 3.88Å; K503-F505 HydrophobicContact CB-CD2 4.19Å; K503-F505 HydrophobicContact CB-CE2 3.67Å; K503-F505 HydrophobicContact CB-CZ 4.23Å; K503-F505 HydrophobicContact CD-CE1 4.1Å; K503-F505 HydrophobicContact CD-CE2 4.01Å; K503-F505 HydrophobicContact CD-CZ 3.71Å; K503-F505 HydrophobicContact CG-CD2 4.28Å; K503-F505 HydrophobicContact CG-CE2 3.96Å; K503-F505 HydrophobicContact CG-CZ 4.19Å; K503-F505 WeakPolarHBondContact O-CD2 3.37Å; F505-L507 HydrophobicContact CB-CD2 3.6Å; F505-L507 HydrophobicContact CB-CG 3.82Å; F505-L507 HydrophobicContact CD1-CD2 4.15Å; F505-L507 HydrophobicContact CG-CD2 4.07Å
506H95.8Very high95.8Very high91 Ų9181.3 Ų81.342%0.42138%0.383SS..EExtended strand (participates in β ladder)trans-101.7106.6159.1-17982.4000106.9Y485Y485-H506 AromaticContact CD2-CE1 3.23Å; Y485-H506 WeakPolarHBondContact CD2-CE1 3.33Å; Y485-H506 AromaticContact CD2-ND1 3.67Å; Y485-H506 AromaticContact CE2-CE1 3.58Å; Y485-H506 AromaticContact CG-CE1 3.49Å; Y485-H506 VanDerWaalsContact CG-CE1 3.49Å; Y485-H506 AromaticContact CG-NE2 3.96Å
507L95.3Very high95.5Very high5 Ų581.2 Ų81.23%0.02638%0.378CS..EExtended strand (participates in β ladder)trans-104.698.5-174.4-59.7-178.2000109.7I470 Y485 E486 Y490 F505 L512I470-L507 HydrophobicContact CD1-CD2 3.76Å; I470-L507 HydrophobicContact CG2-CD1 4.34Å; Y485-L507 CarbonylContact C-O 3.57Å; Y485-L507 WeakPolarHBondContact CA-O 3.4Å; Y485-L507 WeakPolarHBondContact CB-O 3.49Å; E486-L507 HydrophobicContact CG-CB 4.21Å; E486-L507 PolarHBondContact N-O 2.88Å; E486-L507 PolarHBondContact O-N 3.23Å; Y490-L507 HydrophobicContact CD1-CD1 3.72Å; Y490-L507 HydrophobicContact CD2-CD1 4.03Å; Y490-L507 HydrophobicContact CE1-CD1 3.4Å; Y490-L507 HydrophobicContact CE2-CD1 3.77Å; Y490-L507 HydrophobicContact CE2-CG 4.23Å; Y490-L507 HydrophobicContact CG-CD1 4.05Å; Y490-L507 VanDerWaalsContact CZ-CD1 3.48Å; F505-L507 HydrophobicContact CB-CD2 3.6Å; F505-L507 HydrophobicContact CB-CG 3.82Å; F505-L507 HydrophobicContact CD1-CD2 4.15Å; F505-L507 HydrophobicContact CG-CD2 4.07Å; L507-L512 HydrophobicContact CD2-CD2 4.45Å
508E96.7Very high95Very high83 Ų8381.3 Ų81.339%0.38838%0.377SS..EExtended strand (participates in β ladder)trans-69.9128.1164.2-73.3177.2-160.400109.5D510 K511 L512E508-D510 VanDerWaalsContact C-N 3.26Å; E508-D510 PolarHBondContact O-N 3.14Å; E508-K511 HydrophobicContact CB-CB 4.24Å; E508-K511 HydrophobicContact CB-CG 3.65Å; E508-K511 PolarHBondContact O-N 3.43Å; E508-K511 VanDerWaalsContact OE2-CE 3.28Å; E508-K511 WeakPolarHBondContact OE2-CE 3.48Å; E508-L512 PolarHBondContact O-N 3.38Å
509Y95.1Very high94.4Very high76 Ų7680.1 Ų80.130%0.29838%0.383SS..G310 helixtrans-65-30.6-176.3-62.5-47.5000112.7K481 T484 E486 K511 L512K481-Y509 WeakPolarHBondContact CE-OH 3.42Å; T484-Y509 VanDerWaalsContact C-CD2 3.44Å; T484-Y509 WeakPolarHBondContact O-CD2 3.16Å; T484-Y509 PolarHBondContact O-N 3.38Å; E486-Y509 HydrophobicContact CB-CE1 4.43Å; E486-Y509 HydrophobicContact CG-CE1 3.68Å; E486-Y509 WeakPolarHBondContact OE2-CE1 3.42Å; E486-Y509 PolarHBondContact OE2-OH 3.28Å; Y509-K511 PolarHBondContact O-N 2.89Å; Y509-L512 HydrophobicContact CD1-CD1 4.38Å; Y509-L512 PolarHBondContact O-N 3.21Å
510D96.3Very high93.5Very high119 Ų11979.2 Ų79.264%0.63640%0.397SS*.G310 helixtrans-65.2-24.8173.1-178.266.9000113.1K464 E508K464-D510 WeakPolarHBondContact CE-O 3.4Å; K464-D510 PolarHBondContact NZ-O 3.15Å; E508-D510 VanDerWaalsContact C-N 3.26Å; E508-D510 PolarHBondContact O-N 3.14Å
511K96.7Very high92.2Very high49 Ų4978.6 Ų78.621%0.21340%0.402CS..G310 helixtrans-85.7-15.8179.3-55.5-56.7-168174.50113.2K464 E465 E508 Y509K464-K511 WeakPolarHBondContact CB-O 3.46Å; K464-K511 WeakPolarHBondContact CE-O 3.43Å; K464-K511 WeakPolarHBondContact CG-O 3.09Å; K464-K511 PolarHBondContact N-O 3.46Å; E465-K511 HydrophobicContact CG-CD 4.42Å; E465-K511 WeakPolarHBondContact OE1-CE 3.48Å; E465-K511 IonicContact OE1-NZ 3.8Å; E465-K511 PolarHBondContact OE1-NZ 3.15Å; E465-K511 WeakPolarHBondContact OE2-CD 3.47Å; E465-K511 WeakPolarHBondContact OE2-CE 3.31Å; E465-K511 IonicContact OE2-NZ 3.28Å; E508-K511 HydrophobicContact CB-CB 4.24Å; E508-K511 HydrophobicContact CB-CG 3.65Å; E508-K511 PolarHBondContact O-N 3.43Å; E508-K511 VanDerWaalsContact OE2-CE 3.28Å; E508-K511 WeakPolarHBondContact OE2-CE 3.48Å; Y509-K511 PolarHBondContact O-N 2.89Å
512L96.4Very high90.6Very high26 Ų2686.4 Ų86.414%0.13643%0.433CS..BIsolated β-bridgetrans-77.2149.7171-60.5-178.7000110.4R461 Y462 H463 K464 L507 E508 Y509R461-L512 HydrophobicContact CB-CD1 4.32Å; R461-L512 HydrophobicContact CB-CD2 4.35Å; Y462-L512 CarbonylContact O-C 3.52Å; Y462-L512 WeakPolarHBondContact O-CA 3.49Å; H463-L512 HydrophobicContact CB-CD2 4.21Å; K464-L512 WeakPolarHBondContact CE-O 3.41Å; L507-L512 HydrophobicContact CD2-CD2 4.45Å; E508-L512 PolarHBondContact O-N 3.38Å; Y509-L512 HydrophobicContact CD1-CD1 4.38Å; Y509-L512 PolarHBondContact O-N 3.21Å
513E95Very high89.2Confident81 Ų8191.7 Ų91.738%0.37945%0.453SS..  trans-83.6137.7171.9-158.8173.9175.200110.3Y462 K464Y462-E513 HydrophobicContact CD1-CB 4.48Å; Y462-E513 VanDerWaalsContact CD1-OE2 3.26Å; Y462-E513 WeakPolarHBondContact CD1-OE2 3.41Å; Y462-E513 PolarHBondContact O-N 3.42Å; K464-E513 HydrophobicContact CG-CB 4.19Å
514E94.2Very high88.5Confident144 Ų14494.1 Ų94.167%0.67346%0.461SS*.  trans-67.5179.6170.8-76.7-65.6172.700111.4P516E514-P516 WeakPolarHBondContact O-CD 3.35Å
515R93.3Very high88Confident139 Ų13992.6 Ų92.653%0.52546%0.456SS..SBendtrans-53.6125.4175.6-174.3178-176.7163.16.3110.5F456 H517F456-R515 HydrophobicContact CD1-CB 4.25Å; F456-R515 HydrophobicContact CD1-CG 4.12Å; F456-R515 HydrophobicContact CE1-CB 3.89Å; F456-R515 HydrophobicContact CE1-CG 4.18Å; F456-R515 HydrophobicContact CE2-CB 4.3Å; F456-R515 HydrophobicContact CZ-CB 3.91Å; R515-H517 PolarHBondContact O-CE1 2.91Å; R515-H517 PolarHBondContact O-N 3.32Å; R515-H517 PolarHBondContact O-ND1 3.34Å
516P92.5Very high87.5Confident12 Ų1295.8 Ų95.88%0.07848%0.478CS..PPolyproline II helixtrans-59.7136.9-178.5-26.234.5000112.6A452 V453 E514A452-P516 HydrophobicContact CB-CB 4.13Å; A452-P516 HydrophobicContact CB-CG 3.72Å; V453-P516 HydrophobicContact CG2-CB 3.96Å; V453-P516 HydrophobicContact CG2-CG 4.47Å; E514-P516 WeakPolarHBondContact O-CD 3.35Å
517H89.5Confident87Confident157 Ų15793.1 Ų93.173%0.72747%0.472SS*.PPolyproline II helixtrans-95129.2-177.8-65.480.7000110.2R515R515-H517 PolarHBondContact O-CE1 2.91Å; R515-H517 PolarHBondContact O-N 3.32Å; R515-H517 PolarHBondContact O-ND1 3.34Å
518L86.2Confident86.5Confident93 Ų93100.4 Ų100.449%0.48751%0.506SS..PPolyproline II helixtrans-86.7120.2174.2-65.4171.1000109.3L449 L450L449-L518 HydrophobicContact CB-CD2 3.79Å; L450-L518 HydrophobicContact CD2-CD1 4.02Å; L450-L518 HydrophobicContact CD2-CD2 3.91Å; L450-L518 HydrophobicContact CG-CD2 4.26Å
519P85Confident85.8Confident78 Ų78102.7 Ų102.751%0.50652%0.516SS..PPolyproline II helixtrans-66142176.327.6-34000110.6L449 T521L449-P519 VanDerWaalsContact CD1-CD 3.46Å; L449-P519 HydrophobicContact CD1-CG 4.12Å; P519-T521 VanDerWaalsContact C-N 3.34Å
520S77.6Confident85.1Confident112 Ų112100.5 Ų100.578%0.78351%0.514SS*.  trans-84.7-5.9-179.7520000114
521T71.3Confident84.2Confident90 Ų90104.8 Ų104.855%0.55253%0.527SS*.  trans-88.5108.1-172.248.20000112.4P519P519-T521 VanDerWaalsContact C-N 3.34Å
522F62.4Low83.5Confident202 Ų202107.6 Ų107.689%0.88654%0.543SS*.SBendtrans-81.6-19.7172.6-80.6-88.7000114.2
523N68.1Low82.9Confident168 Ų168111.8 Ų111.890%0.89857%0.565SS**  trans-100.875176.1-74-19.2000110
524Y80.6Confident82.2Confident138 Ų138113.6 Ų113.654%0.54158%0.575SS.*  trans-125.8123.4171.6-177.6-98.7000109.2P526 Q529Y524-P526 HydrophobicContact CE1-CB 3.9Å; Y524-P526 HydrophobicContact CE1-CG 4.31Å; Y524-Q529 VanDerWaalsContact CE2-OE1 3.26Å
525N84.9Confident81.5Confident71 Ų71111.8 Ų111.838%0.3857%0.569SS.*  trans-125.2108.4172.6-178.7-5.1000108.2A527 Q528N525-A527 PolarHBondContact O-N 3.03Å; N525-A527 WeakPolarHBondContact OD1-CB 3.44Å; N525-A527 PolarHBondContact OD1-N 2.87Å; N525-A527 VanDerWaalsContact OD1-N 3.1Å; N525-Q528 HydrophobicContact CB-CG 4.1Å; N525-Q528 PolarHBondContact O-N 3.1Å
526P84.4Confident80.8Confident77 Ų77110.1 Ų110.150%0.557%0.572SS.*G310 helixtrans-61.1-28.6-177.323.9-32.7000112.5Y524 Q528 Q529 A530Y524-P526 HydrophobicContact CE1-CB 3.9Å; Y524-P526 HydrophobicContact CE1-CG 4.31Å; P526-Q528 PolarHBondContact O-N 3.37Å; P526-Q529 CarbonylContact O-C 3.55Å; P526-Q529 PolarHBondContact O-N 3.41Å; P526-A530 PolarHBondContact O-N 3.3Å; P526-A530 VanDerWaalsContact O-N 3.08Å
527A85.1Confident80Confident36 Ų36116.6 Ų116.630%0.29861%0.605SS.*G310 helixtrans-66.4-19.2177.900000113.8W394 N525 Q529W394-A527 HydrophobicContact CB-CB 3.64Å; W394-A527 HydrophobicContact CG-CB 4.04Å; N525-A527 PolarHBondContact O-N 3.03Å; N525-A527 WeakPolarHBondContact OD1-CB 3.44Å; N525-A527 PolarHBondContact OD1-N 2.87Å; N525-A527 VanDerWaalsContact OD1-N 3.1Å; A527-Q529 VanDerWaalsContact C-N 3.32Å
528Q84.9Confident79.3Confident158 Ų158113.7 Ų113.774%0.73860%0.596SS**G310 helixtrans-83.8-9.5173.8-66.5179-8.500113.1N525 P526N525-Q528 HydrophobicContact CB-CG 4.1Å; N525-Q528 PolarHBondContact O-N 3.1Å; P526-Q528 PolarHBondContact O-N 3.37Å
529Q81.9Confident78.8Confident130 Ų130115.3 Ų115.361%0.60761%0.605SS**SBendtrans-128.120.1-177.4-58.6179.310.800111Y524 P526 A527Y524-Q529 VanDerWaalsContact CE2-OE1 3.26Å; P526-Q529 CarbonylContact O-C 3.55Å; P526-Q529 PolarHBondContact O-N 3.41Å; A527-Q529 VanDerWaalsContact C-N 3.32Å
530A80.8Confident78.2Confident31 Ų31118.4 Ų118.426%0.25661%0.613SS.*  trans-75.5134.5173.900000109.1W394 P526W394-A530 HydrophobicContact CB-CB 4.48Å; P526-A530 PolarHBondContact O-N 3.3Å; P526-A530 VanDerWaalsContact O-N 3.08Å
531F76.9Confident78.3Confident208 Ų208119 Ų11991%0.91260%0.597SS**  trans73.90-176.4-50.9-89.6000114.6L376L376-F531 HydrophobicContact CD1-CE1 4.47Å; L376-F531 HydrophobicContact CD2-CD1 4.32Å; L376-F531 HydrophobicContact CD2-CE1 3.57Å; L376-F531 HydrophobicContact CD2-CZ 4.42Å

Retrieved 531 of 531 residues in 1589.4 ms (Link to these results)