A0A087X652_POEFO Loading...

Forkhead box protein N3

Acts as a transcriptional repressor. May be involved in DNA damage-inducible cell cycle arrests (checkpoints).

AlphaFold DB , UniProt , Accession A0A087X652, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 485 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.3Very low49.3Very low246 Ų246144 Ų144100%1.21284%0.839SS**  0118.80-62.4-49.9-171.300107.8
2G44Very low48Very low63 Ų63146.8 Ų146.865%0.64984%0.838SS**PPolyproline II helixtrans-91.8164.8177.700000112.4T4G2-T4 PolarHBondContact O-N 3.33Å
3P57.3Low47.3Very low135 Ų135144.2 Ų144.288%0.87783%0.834SS**PPolyproline II helixtrans-76.7116.6173.530.6-32.2000111.1
4T51.1Low47.7Very low137 Ų137142.8 Ų142.884%0.8483%0.832SS**PPolyproline II helixtrans-77.7134.7177.9-56.50000111.7G2G2-T4 PolarHBondContact O-N 3.33Å
5M52.8Low46.7Very low165 Ų165140.5 Ų140.581%0.81383%0.827SS**PPolyproline II helixtrans-78.6139.5172.5-76.2-70.4-73.600112.2
6P66.1Low45.9Very low107 Ų107139.1 Ų139.170%0.69583%0.827SS**PPolyproline II helixtrans-84.5152.217833.9-35000113.1
7P56.8Low45.1Very low117 Ų117135.1 Ų135.176%0.7682%0.822SS**PPolyproline II helixtrans-90.8133179.234.1-33.6000113.7
8S48.2Very low44.5Very low126 Ų126133.2 Ų133.288%0.88182%0.822SS**PPolyproline II helixtrans-86.8150.7172.7-70.80000112.8
9K47.9Very low43.8Very low200 Ų200132.1 Ų132.187%0.8782%0.82SS**  trans-114.7126.5-167-64.8175.6-178.8173.70114.1
10K36.7Very low43.1Very low192 Ų192130.4 Ų130.484%0.83582%0.82SS**  trans22.9120132.3-174.4-179.4-177176.80119.4
11A39.6Very low42.6Very low96 Ų96129.1 Ų129.179%0.79382%0.815SS**  trans-159158.5137.300000108.6
12Q33.2Very low42.2Very low177 Ų177126.9 Ų126.983%0.82780%0.802SS**  cis-173.8145.4-42.1-162.2160.9-1.700104.4
13S39Very low41.4Very low113 Ų113127.3 Ų127.379%0.7981%0.807SS**  trans-84.3-178.8-169.4-45.80000114.2
14P52.2Low40.5Very low125 Ų125129 Ų12981%0.81281%0.805SS**  -151.3171.494.841-24.6000117.7
15S33.2Very low39.9Very low108 Ų108127.2 Ų127.276%0.75580%0.798SS**  trans64.6117.1164.3-102.80000118.9
16S34.7Very low40.5Very low118 Ų118124.7 Ų124.783%0.82579%0.794SS**  99.7131.764.8-69.90000110.4
17G31.4Very low39.9Very low71 Ų71124.1 Ų124.173%0.73279%0.79SS**  cis175.7171.7-4.800000111.2
18A34.2Very low38.8Very low101 Ų101128.3 Ų128.384%0.83579%0.792SS**  trans61.3161178.400000117
19S31.6Very low38.3Very low112 Ų112131.9 Ų131.978%0.78379%0.786SS**  cis159.6127.4-36-88.50000107.8
20A29.9Very low37.5Very low99 Ų99131.2 Ų131.282%0.81879%0.787SS**  trans61.6160.415300000119.4
21S32.6Very low37.1Very low103 Ų103125.5 Ų125.572%0.7278%0.782SS**  cis-170.8151-21.248.10000112
22Q33.6Very low36.8Very low199 Ų199127.7 Ų127.793%0.9378%0.78SS**  trans34147148.4-67.9-179.8-4900124.7
23G27.7Very low37.6Very low73 Ų73125.2 Ų125.275%0.75378%0.779SS**  trans109.2132.4158.300000114.9
24M37.5Very low37.2Very low171 Ų171124.2 Ų124.284%0.84278%0.778SS**  cis107.372.66.7-60.9-158.972.200120.6
25S39.3Very low36.2Very low98 Ų98125.3 Ų125.369%0.68578%0.782SS**  67.4-172.412976.80000120.1
26P64.4Low36Very low112 Ų112124.9 Ų124.973%0.72779%0.785SS**  cis-123.7-39.3-25.318.8-2.9000125.6
27P53.3Low35.9Very low95 Ų95123.9 Ų123.962%0.61779%0.785SS**  -140.8171.3-118.944.1-26000122.1
28Y35.1Very low35.9Very low206 Ų206125.8 Ų125.881%0.80879%0.786SS**  trans77.8152.8162.3-77.3-92.2000121.7
29R36.2Very low35.8Very low200 Ų200130.5 Ų130.576%0.75579%0.791SS**  cis-178.7154.6-44.8-173.8171.6177.5169.10.3110.1
30Q31.5Very low35.9Very low187 Ų187129.8 Ų129.887%0.87479%0.792SS**  trans135.5129.8133.4-168.6161.42.600115.7
31G29.8Very low36.4Very low71 Ų71134.3 Ų134.373%0.73280%0.796SS**  trans145.174.8171.100000116.4
32D32.3Very low36.7Very low142 Ų142134.4 Ų134.476%0.75980%0.803SS**  trans-86179.4165.5-45.4-88.1000110.4
33P50.5Low37.2Very low125 Ų125128.8 Ų128.881%0.81279%0.791SS**  cis-134.5159.8-7.540-24.1000115.5
34A30.1Very low37.6Very low92 Ų92131.7 Ų131.776%0.7679%0.79SS**  trans-159119.2157.100000113.7
35T32.2Very low37.6Very low148 Ų148131.5 Ų131.591%0.90879%0.791SS**  trans48.8118.7160.511.50000120.1
36A28.2Very low37.6Very low99 Ų99131.1 Ų131.182%0.81879%0.788SS**  trans-139.3-179.9168.300000110.6
37A31.4Very low36.3Very low98 Ų98131.9 Ų131.981%0.8179%0.786SS**  trans79.5135.9-17600000115.8
38S31.6Very low35.4Very low110 Ų110131.7 Ų131.777%0.76979%0.787SS**  cis-167119.2-9.347.50000113.3
39E32.5Very low35.5Very low200 Ų200128.3 Ų128.394%0.93578%0.782SS**  trans-153.5108.7157.3-75.4-161.5113.300109.9
40A33.8Very low35.7Very low98 Ų98122.6 Ų122.681%0.8177%0.772SS**  trans173.468.7158.800000113.1
41E40.5Very low36.2Very low193 Ų193117.2 Ų117.290%0.90276%0.76SS**  trans-136.168.1174.4-85.1-62.1161.700111.8
42A39.7Very low36.5Very low105 Ų105118.3 Ų118.387%0.86876%0.757SS**  trans-163.459.4178.400000113.7
43A44.1Very low36.8Very low82 Ų82119.8 Ų119.868%0.67876%0.757SS**  trans-137.5-44.4-179.200000116.1L45A43-L45 PolarHBondContact O-N 2.64Å
44D35.3Very low36.4Very low134 Ų134117.5 Ų117.572%0.71774%0.744SS**G310 helixtrans-75.8-18.4-158.9-156.338.8000115.3S46D44-S46 VanDerWaalsContact C-N 3.35Å; D44-S46 PolarHBondContact O-N 2.77Å
45L37Very low36.9Very low166 Ų166122.1 Ų122.187%0.86975%0.747SS**G310 helixtrans-79.8-9.3-177.2-60.3-178.8000114.9A43A43-L45 PolarHBondContact O-N 2.64Å
46S39.2Very low37.6Very low90 Ų90118.6 Ų118.663%0.62973%0.732SS**G310 helixtrans-87.1-23.8-174.4-166.90000114.2D44D44-S46 VanDerWaalsContact C-N 3.35Å; D44-S46 PolarHBondContact O-N 2.77Å
47L38.8Very low38.5Very low128 Ų128117.9 Ų117.967%0.6771%0.712SS**Hα-helixtrans-81.6-35.1-173.7-73.5169.4000113.4L49 S50 A51L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 2.87Å; L47-S50 PolarHBondContact O-N 2.94Å; L47-A51 PolarHBondContact O-N 2.82Å
48S33.1Very low39.3Very low92 Ų92117.4 Ų117.464%0.64370%0.696SS**Hα-helixtrans-63.8-29.5-176.8-54.40000113.8
49L37.7Very low40Very low135 Ų135119.6 Ų119.671%0.70769%0.694SS**Hα-helixtrans-80.3-31.4179.3-16366.4000112.7L47 A51L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 2.87Å; L49-A51 VanDerWaalsContact C-N 3.34Å
50S41.2Very low40.7Very low79 Ų79114.1 Ų114.155%0.55267%0.668SS**Hα-helixtrans-68.6-33.7175.8-66.40000112.5L47 S52 F53L47-S50 PolarHBondContact O-N 2.94Å; S50-S52 VanDerWaalsContact C-N 3.26Å; S50-S52 PolarHBondContact O-N 3.36Å; S50-F53 PolarHBondContact O-N 3.35Å
51A40.8Very low41.3Very low74 Ų74114.6 Ų114.661%0.61266%0.657SS**Hα-helixtrans-63.1-28.1-17800000114L47 L49L47-A51 PolarHBondContact O-N 2.82Å; L49-A51 VanDerWaalsContact C-N 3.34Å
52S35.9Very low41.8Very low95 Ų95111.2 Ų111.266%0.66465%0.649SS**Hα-helixtrans-79.5-26.4-178.5-63.70000114.4S50S50-S52 VanDerWaalsContact C-N 3.26Å; S50-S52 PolarHBondContact O-N 3.36Å
53F38.8Very low42Very low172 Ų172109 Ų10975%0.75463%0.628SS**Hα-helixtrans-85-37.6-174.8-103.5-84.5000114S50 K55S50-F53 PolarHBondContact O-N 3.35Å; F53-K55 PolarHBondContact O-N 3.47Å; F53-K55 VanDerWaalsContact O-N 3.16Å
54S42.6Very low42.7Very low77 Ų77111.8 Ų111.854%0.53863%0.63SS.*THydrogen-bonded Turntrans-75.7-0.9-173.3-73.10000115.7E57S54-E57 PolarHBondContact OG-OE1 3.42Å; S54-E57 VanDerWaalsContact OG-OE1 3.13Å
55K39.7Very low43.7Very low190 Ų190108.5 Ų108.583%0.82662%0.618SS**THydrogen-bonded Turntrans-89.4-6.9178.2-159.4160.7-175.8174.80114.4F53F53-K55 PolarHBondContact O-N 3.47Å; F53-K55 VanDerWaalsContact O-N 3.16Å
56A47.8Very low44.9Very low73 Ų73109.2 Ų109.260%0.60361%0.609SS**SBendtrans-103.7-14.5178.700000114.5
57E47.6Very low45.7Very low84 Ų84110 Ų11039%0.39361%0.606SS.*THydrogen-bonded Turntrans-87.8-15.2-168.266.6178.6127.800116.1S54 K151S54-E57 PolarHBondContact OG-OE1 3.42Å; S54-E57 VanDerWaalsContact OG-OE1 3.13Å; E57-K151 IonicContact OE1-NZ 3.85Å; E57-K151 PolarHBondContact OE1-NZ 3.2Å; E57-K151 VanDerWaalsContact OE1-NZ 3.16Å; E57-K151 IonicContact OE2-NZ 3.99Å; E57-K151 PolarHBondContact OE2-NZ 3.49Å
58D48.3Very low46.3Very low89 Ų89110.8 Ų110.848%0.47661%0.606SS.*THydrogen-bonded Turntrans-95.5-24.6-178.9-116.7-71.2000113.1E60 L61 K198D58-E60 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact O-N 3.36Å; D58-L61 WeakPolarHBondContact O-CB 3.38Å; D58-L61 PolarHBondContact O-N 2.84Å; D58-L61 VanDerWaalsContact O-N 3.13Å; D58-K198 IonicContact OD2-NZ 2.64Å; D58-K198 PolarHBondContact OD2-NZ 3Å
59E44.6Very low47.4Very low155 Ų155109.9 Ų109.972%0.72459%0.591SS**G310 helixtrans-61.7-37.7176.5-72.5-78.9119.300112.5L61 T62 S63E59-L61 PolarHBondContact O-N 3.28Å; E59-T62 PolarHBondContact O-N 3.12Å; E59-T62 VanDerWaalsContact O-N 3.12Å; E59-S63 PolarHBondContact O-N 2.91Å; E59-S63 VanDerWaalsContact O-N 3.14Å
60E48.3Very low48.2Very low86 Ų86105.7 Ų105.740%0.40257%0.573SS.*G310 helixtrans-59-18.9176.2-70.8-158.5132.900113.4D58 T62 T169 K172D58-E60 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact O-N 3.36Å; E60-T62 VanDerWaalsContact C-N 3.31Å; E60-T169 WeakPolarHBondContact OE1-CG2 3.07Å; E60-K172 IonicContact OE2-NZ 2.68Å; E60-K172 PolarHBondContact OE2-NZ 3.28Å
61L46.3Very low49Very low107 Ų107105.7 Ų105.756%0.5657%0.57SS**G310 helixtrans-80.1-13.4-179-58.8-177.2000113.3D58 E59D58-L61 WeakPolarHBondContact O-CB 3.38Å; D58-L61 PolarHBondContact O-N 2.84Å; D58-L61 VanDerWaalsContact O-N 3.13Å; E59-L61 PolarHBondContact O-N 3.28Å
62T50.7Low49.8Very low122 Ų122106.9 Ų106.975%0.74857%0.566SS**THydrogen-bonded Turntrans-121.1-22.1-179.7-400000112.8E59 E60 L64E59-T62 PolarHBondContact O-N 3.12Å; E59-T62 VanDerWaalsContact O-N 3.12Å; E60-T62 VanDerWaalsContact C-N 3.31Å; T62-L64 PolarHBondContact O-N 3.2Å
63S43.6Very low50.8Low59 Ų59107.1 Ų107.141%0.41356%0.559SS.*  trans-66.4126.118068.20000113.1E59 S65E59-S63 PolarHBondContact O-N 2.91Å; E59-S63 VanDerWaalsContact O-N 3.14Å; S63-S65 PolarHBondContact O-N 2.87Å
64L58.6Low51.7Low140 Ų140105 Ų10573%0.73356%0.555SS**  trans-7939.3174.1-63.5175.8000112.9T62 W66 L67T62-L64 PolarHBondContact O-N 3.2Å; L64-W66 VanDerWaalsContact C-N 3.27Å; L64-W66 PolarHBondContact O-N 3.2Å; L64-L67 VanDerWaalsContact O-CB 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.32Å; L64-L67 PolarHBondContact O-N 2.75Å
65S57.1Low52.3Low65 Ų65105.7 Ų105.746%0.45555%0.553SS.*Hα-helixtrans-56.3-36.8-17449.40000113.7S63 L67 H68 E69S63-S65 PolarHBondContact O-N 2.87Å; S65-L67 PolarHBondContact O-N 3.48Å; S65-L67 VanDerWaalsContact O-N 3.14Å; S65-H68 WeakPolarHBondContact O-CB 3.33Å; S65-H68 PolarHBondContact O-N 2.84Å; S65-E69 PolarHBondContact O-N 2.64Å
66W61.6Low52.6Low181 Ų181100.1 Ų100.169%0.68654%0.538SS*.Hα-helixtrans-61.1-22177.8-157.663.6000114.1L64 E69 S70L64-W66 VanDerWaalsContact C-N 3.27Å; L64-W66 PolarHBondContact O-N 3.2Å; W66-E69 VanDerWaalsContact CD1-OE2 3.29Å; W66-S70 PolarHBondContact O-N 3.07Å; W66-S70 VanDerWaalsContact O-N 3.17Å
67L55.9Low52.6Low108 Ų108104.7 Ų104.757%0.56554%0.544SS*.Hα-helixtrans-72.7-35.5176.2-135.1167.2000110.8L64 S65 S70 T71L64-L67 VanDerWaalsContact O-CB 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.32Å; L64-L67 PolarHBondContact O-N 2.75Å; S65-L67 PolarHBondContact O-N 3.48Å; S65-L67 VanDerWaalsContact O-N 3.14Å; L67-S70 PolarHBondContact O-N 3.28Å; L67-S70 PolarHBondContact O-OG 2.93Å; L67-T71 PolarHBondContact O-OG1 3.32Å; L67-T71 VanDerWaalsContact O-OG1 3.09Å
68H53.1Low52.7Low143 Ų143104.7 Ų104.766%0.66255%0.554SS**Hα-helixtrans-66-47.9172.7-132.2-100.7000110.8S65 S70 T71 D72S65-H68 WeakPolarHBondContact O-CB 3.33Å; S65-H68 PolarHBondContact O-N 2.84Å; H68-S70 PolarHBondContact O-N 3.24Å; H68-T71 WeakPolarHBondContact O-CA 3.39Å; H68-T71 VanDerWaalsContact O-CB 3.28Å; H68-T71 WeakPolarHBondContact O-CB 3.37Å; H68-T71 PolarHBondContact O-N 3.22Å; H68-D72 PolarHBondContact O-N 3.33Å
69E54.4Low52.7Low74 Ų74107.9 Ų107.935%0.34657%0.566SS.*Hα-helixtrans-54.4-37.5176.9-162.4-177.1152.700112.2S65 W66 T71 L73S65-E69 PolarHBondContact O-N 2.64Å; W66-E69 VanDerWaalsContact CD1-OE2 3.29Å; E69-T71 VanDerWaalsContact C-N 3.27Å; E69-T71 PolarHBondContact O-N 3.37Å; E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.1Å
70S55.1Low52.8Low46 Ų46105.3 Ų105.332%0.32257%0.565SS.*Hα-helixtrans-66.7-24.8174.979.90000114.4W66 L67 H68 L74W66-S70 PolarHBondContact O-N 3.07Å; W66-S70 VanDerWaalsContact O-N 3.17Å; L67-S70 PolarHBondContact O-N 3.28Å; L67-S70 PolarHBondContact O-OG 2.93Å; H68-S70 PolarHBondContact O-N 3.24Å; S70-L74 PolarHBondContact O-N 3.17Å
71T57.5Low52.6Low79 Ų79103.6 Ų103.649%0.48557%0.57SS.*Hα-helixtrans-81.8-40.3-179.4-49.70000110.9L67 H68 E69 L73 L74 N75L67-T71 PolarHBondContact O-OG1 3.32Å; L67-T71 VanDerWaalsContact O-OG1 3.09Å; H68-T71 WeakPolarHBondContact O-CA 3.39Å; H68-T71 VanDerWaalsContact O-CB 3.28Å; H68-T71 WeakPolarHBondContact O-CB 3.37Å; H68-T71 PolarHBondContact O-N 3.22Å; E69-T71 VanDerWaalsContact C-N 3.27Å; E69-T71 PolarHBondContact O-N 3.37Å; T71-L73 VanDerWaalsContact C-N 3.34Å; T71-L73 PolarHBondContact O-N 3.4Å; T71-L74 WeakPolarHBondContact O-CB 3.46Å; T71-L74 PolarHBondContact O-N 3.46Å; T71-N75 PolarHBondContact O-N 3Å; T71-N75 VanDerWaalsContact O-N 3.1Å
72D58.8Low52.4Low99 Ų99107.1 Ų107.153%0.52959%0.589SS.*Hα-helixtrans-65.4-36.9174.5-68.6-50.7000112H68 L74 N75 S76H68-D72 PolarHBondContact O-N 3.33Å; D72-L74 PolarHBondContact O-N 3.27Å; D72-N75 PolarHBondContact O-N 3.42Å; D72-S76 PolarHBondContact O-N 3.16Å
73L55.9Low51.9Low101 Ų101111.9 Ų111.953%0.52959%0.593SS.*Hα-helixtrans-61.3-42.3172.4-73.2172.4000112.5E69 T71 N75 S76 F77E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.1Å; T71-L73 VanDerWaalsContact C-N 3.34Å; T71-L73 PolarHBondContact O-N 3.4Å; L73-N75 VanDerWaalsContact C-N 3.3Å; L73-N75 PolarHBondContact O-N 3.02Å; L73-S76 WeakPolarHBondContact O-CB 3.35Å; L73-S76 PolarHBondContact O-N 3.48Å; L73-F77 WeakPolarHBondContact O-CD2 3.21Å; L73-F77 PolarHBondContact O-N 3.33Å
74L57.5Low51.7Low126 Ų126115 Ų11566%0.6661%0.614SS**Hα-helixtrans-61.1-39.2173.8-83.6162.1000111.8S70 T71 D72 F77S70-L74 PolarHBondContact O-N 3.17Å; T71-L74 WeakPolarHBondContact O-CB 3.46Å; T71-L74 PolarHBondContact O-N 3.46Å; D72-L74 PolarHBondContact O-N 3.27Å; L74-F77 PolarHBondContact O-N 3.39Å
75N57Low50.7Low92 Ų92114.5 Ų114.549%0.49262%0.617SS.*Hα-helixtrans-70.7-32177.4-158.327.1000112.7T71 D72 L73 F77 S78T71-N75 PolarHBondContact O-N 3Å; T71-N75 VanDerWaalsContact O-N 3.1Å; D72-N75 PolarHBondContact O-N 3.42Å; L73-N75 VanDerWaalsContact C-N 3.3Å; L73-N75 PolarHBondContact O-N 3.02Å; N75-F77 VanDerWaalsContact C-N 3.3Å; N75-F77 PolarHBondContact O-N 2.91Å; N75-S78 VanDerWaalsContact O-CB 3.24Å; N75-S78 WeakPolarHBondContact O-CB 3.13Å; N75-S78 PolarHBondContact O-N 3.35Å; N75-S78 VanDerWaalsContact O-N 3.13Å; N75-S78 PolarHBondContact O-OG 3.21Å
76S45.5Very low49.6Very low74 Ų74117.2 Ų117.252%0.51764%0.636SS.*Hα-helixtrans-61.2-35.4174.9-172.50000112.9D72 L73 S78D72-S76 PolarHBondContact O-N 3.16Å; L73-S76 WeakPolarHBondContact O-CB 3.35Å; L73-S76 PolarHBondContact O-N 3.48Å; S76-S78 VanDerWaalsContact C-N 3.29Å; S76-S78 PolarHBondContact O-N 3.14Å
77F47Very low48.9Very low168 Ų168114 Ų11474%0.73764%0.639SS**Hα-helixtrans-67.6-27.6175.9-75.5-71.7000112.9L73 L74 N75 H79L73-F77 WeakPolarHBondContact O-CD2 3.21Å; L73-F77 PolarHBondContact O-N 3.33Å; L74-F77 PolarHBondContact O-N 3.39Å; N75-F77 VanDerWaalsContact C-N 3.3Å; N75-F77 PolarHBondContact O-N 2.91Å; F77-H79 VanDerWaalsContact C-N 3.27Å; F77-H79 PolarHBondContact O-N 3.21Å
78S50.8Low47.8Very low85 Ų85115.5 Ų115.559%0.59465%0.646SS**Hα-helixtrans-61.7-31.7179.2-51.80000113.7N75 S76N75-S78 VanDerWaalsContact O-CB 3.24Å; N75-S78 WeakPolarHBondContact O-CB 3.13Å; N75-S78 PolarHBondContact O-N 3.35Å; N75-S78 VanDerWaalsContact O-N 3.13Å; N75-S78 PolarHBondContact O-OG 3.21Å; S76-S78 VanDerWaalsContact C-N 3.29Å; S76-S78 PolarHBondContact O-N 3.14Å
79H48.3Very low47Very low155 Ų155116.2 Ų116.272%0.71865%0.65SS**THydrogen-bonded Turntrans-100.2-5.8-169.7-71.9-76.8000114.8F77F77-H79 VanDerWaalsContact C-N 3.27Å; F77-H79 PolarHBondContact O-N 3.21Å
80S45.1Very low46Very low101 Ų101119.3 Ų119.371%0.70667%0.669SS**SBendtrans-118.580.7-174.4-68.30000114
81G45.4Very low46Very low50 Ų50122.6 Ų122.652%0.51569%0.689SS.*  trans110.621.4139.700000120.4R83G81-R83 PolarHBondContact O-N 2.89Å
82L40.4Very low44.8Very low182 Ų182125.9 Ų125.995%0.95370%0.704SS**  trans-73.278.3166.4-68.3-173.9000111.9S84L82-S84 PolarHBondContact O-N 3.18Å; L82-S84 VanDerWaalsContact O-N 3.1Å
83R41.5Very low43.7Very low222 Ų222125 Ų12584%0.83871%0.705SS**  trans-77.286171.5-57.8-67.116392.7-2.2109.1G81G81-R83 PolarHBondContact O-N 2.89Å
84S38.3Very low42.7Very low123 Ų123129.6 Ų129.686%0.8672%0.724SS**  trans-61.6140.7175.8-166.20000111.1L82L82-S84 PolarHBondContact O-N 3.18Å; L82-S84 VanDerWaalsContact O-N 3.1Å
85V39.5Very low41.9Very low130 Ų130130.8 Ų130.879%0.78873%0.726SS**  trans-108.1125.4-174.2-73.60000112.1
86S33.6Very low41.3Very low122 Ų122131.9 Ų131.985%0.85374%0.738SS**  trans-152151159.6-84.30000109.3
87P45.7Very low40.7Very low114 Ų114138.8 Ų138.874%0.7475%0.753SS**  trans-111.4174.3-162.741.7-35.4000115.9
88L33.8Very low40.2Very low139 Ų139136 Ų13673%0.72875%0.754SS**  trans94.8118.7161.6-61.4158000119
89Q35.8Very low39.8Very low158 Ų158138.1 Ų138.174%0.73877%0.766SS**  trans62.7143.6139.4-63.5165.9-39.100119
90D34.5Very low39.2Very low140 Ų140136.3 Ų136.375%0.74977%0.771SS**  cis-154.1174.6-9.5-113-36000108.3
91P54.8Low38.7Very low115 Ų115137.1 Ų137.175%0.74778%0.777SS**  trans-95.9151.2-164.636.2-36.8000116.6
92D32.3Very low38.3Very low148 Ų148140 Ų14079%0.79179%0.789SS**  trans-164.7153.4131.8-159.311.3000114.2
93S35.8Very low38Very low79 Ų79136.9 Ų136.955%0.55278%0.782SS**  trans40.2103.3143.8-77.20000122.8
94Q35.2Very low38.2Very low199 Ų199131.8 Ų131.893%0.9378%0.778SS**  169.7160.296.7-97.7165.365.900114.3
95H39.9Very low38.2Very low150 Ų150130.8 Ų130.869%0.69477%0.771SS**  trans-134.2143-174.1162.2-109.4000110.6R97H95-R97 PolarHBondContact CD2-N 2.9Å; H95-R97 VanDerWaalsContact CD2-N 3.34Å; H95-R97 PolarHBondContact CE1-N 3.37Å; H95-R97 PolarHBondContact NE2-N 2.93Å
96P43.7Very low38.7Very low116 Ų116130.6 Ų130.675%0.75377%0.772SS**  trans-143.711313134-17.4000116.4
97R33.3Very low39.3Very low218 Ų218132 Ų13282%0.82377%0.77SS**  trans65107.3134.6-60.5-177.3179-176.2-0.6119.9H95H95-R97 PolarHBondContact CD2-N 2.9Å; H95-R97 VanDerWaalsContact CD2-N 3.34Å; H95-R97 PolarHBondContact CE1-N 3.37Å; H95-R97 PolarHBondContact NE2-N 2.93Å
98S36.1Very low39Very low109 Ų109134.2 Ų134.276%0.76278%0.776SS**  trans-72.4153.2148.5-40.90000112
99P42.9Very low39.8Very low131 Ų131133.9 Ų133.985%0.85178%0.779SS**  trans-81.5156.4149.134.6-31.1000110.6
100S35.3Very low40.5Very low116 Ų116133.8 Ų133.881%0.81178%0.783SS**  trans-134.8122.9-168.858.60000114.5
101S36Very low40.9Very low119 Ų119135.5 Ų135.583%0.83279%0.791SS**  trans-179.5149157.948.80000109.7
102S36.8Very low40.5Very low110 Ų110133.3 Ų133.377%0.76979%0.789SS**  cis-165.6137-2442.80000107.4
103S34.5Very low41.4Very low116 Ų116133.9 Ų133.981%0.81179%0.792SS**PPolyproline II helixtrans-74.6137.7177.7-170.20000111.3
104P43.9Very low42.1Very low115 Ų115133.9 Ų133.975%0.74780%0.797SS**PPolyproline II helixtrans-73.8150165.231.9-33.6000110.9
105S38.3Very low42.5Very low103 Ų103130.8 Ų130.872%0.7278%0.782SS**PPolyproline II helixtrans-101.3152.6169.449.10000110.8D107S105-D107 PolarHBondContact O-N 2.94Å
106P50.9Low42.9Very low125 Ų125127.7 Ų127.781%0.81278%0.777SS**SBendtrans-97.870.8-172.138.9-34.9000113.2
107D45.6Very low43.2Very low153 Ų153125.9 Ų125.982%0.81877%0.772SS**  trans-147.285.4172.4-84.7-58.4000111.2S105S105-D107 PolarHBondContact O-N 2.94Å
108D40.1Very low43.9Very low160 Ų160122 Ų12286%0.85676%0.758SS**  trans-159.3156.2139-141.3-33.7000110.6
109V49.8Very low44.4Very low131 Ų131122 Ų12279%0.79475%0.75SS**  trans-140146.7-174.5-165.80000109.9
110L50.2Low44.9Very low157 Ų157119.5 Ų119.582%0.82273%0.729SS**  trans80.866.4166-144.2174.7000116.1
111L44.3Very low45.7Very low176 Ų176116.3 Ų116.392%0.92171%0.71SS**  trans-138.5146132.2-147.970.5000109.7
112G45.7Very low46.5Very low68 Ų68112.8 Ų112.870%0.70169%0.688SS**  trans-118.3170.5-167.800000114.9
113D51.5Low47.4Very low161 Ų161108.8 Ų108.886%0.86166%0.664SS**SBendtrans72.5161.2173.4-151.611.5000117.1H115D113-H115 PolarHBondContact O-N 3.33Å
114A49.3Very low48.7Very low78 Ų78105 Ų10565%0.64564%0.639SS**SBendtrans69.50.6-176.100000118.7
115H44.9Very low49.9Very low135 Ų135103.8 Ų103.863%0.62563%0.627SS**SBendtrans-115.7-0.9-179.5-78.13.9000116.3D113 Y118D113-H115 PolarHBondContact O-N 3.33Å; H115-Y118 HydrophobicContact CB-CE1 4.32Å; H115-Y118 WeakPolarHBondContact CB-OH 3.39Å; H115-Y118 PolarHBondContact CD2-OH 3.49Å; H115-Y118 AromaticContact CG-CZ 3.96Å; H115-Y118 AromaticContact ND1-CE1 3.83Å; H115-Y118 PolarHBondContact ND1-OH 3.36Å; H115-Y118 WeakPolarHBondContact O-CE2 3.19Å
116S48.3Very low52Low84 Ų84106.9 Ų106.959%0.58762%0.623SS**SBendtrans-83.9-24177.8-172.30000114.3Y118 L120S116-Y118 PolarHBondContact O-N 3.26Å; S116-L120 WeakPolarHBondContact O-CD1 3.37Å; S116-L120 PolarHBondContact O-N 2.91Å
117A49.5Very low53.8Low78 Ų78107.9 Ų107.965%0.64561%0.614SS**Hα-helixtrans-68.2-38.1-16700000114.2A121A117-A121 PolarHBondContact O-N 3.43Å
118Y47.8Very low56Low136 Ų136101.2 Ų101.253%0.53358%0.579SS.*Hα-helixtrans-79.2-23.6-177.247.9-109.3000113.7H115 S116 A121 A122H115-Y118 HydrophobicContact CB-CE1 4.32Å; H115-Y118 WeakPolarHBondContact CB-OH 3.39Å; H115-Y118 PolarHBondContact CD2-OH 3.49Å; H115-Y118 AromaticContact CG-CZ 3.96Å; H115-Y118 AromaticContact ND1-CE1 3.83Å; H115-Y118 PolarHBondContact ND1-OH 3.36Å; H115-Y118 WeakPolarHBondContact O-CE2 3.19Å; S116-Y118 PolarHBondContact O-N 3.26Å; Y118-A121 WeakPolarHBondContact O-CB 3.47Å; Y118-A121 PolarHBondContact O-N 2.93Å; Y118-A122 PolarHBondContact O-N 3.33Å
119D47.7Very low58.4Low111 Ų11197 Ų9759%0.59456%0.56SS**Hα-helixtrans-79.5-30.8175.5-158.429.9000111.6A121 A122 G123D119-A121 VanDerWaalsContact C-N 3.28Å; D119-A121 PolarHBondContact O-N 3.43Å; D119-A122 PolarHBondContact O-N 3.01Å; D119-G123 PolarHBondContact O-N 2.96Å
120L52.7Low60.5Low78 Ų7892.8 Ų92.841%0.40853%0.53SS..Hα-helixtrans-56.8-43.5163.6-94.774.9000111.2S116 G123 A124 Y224S116-L120 WeakPolarHBondContact O-CD1 3.37Å; S116-L120 PolarHBondContact O-N 2.91Å; L120-G123 PolarHBondContact O-N 3Å; L120-A124 PolarHBondContact O-N 3.19Å; L120-Y224 HydrophobicContact CD1-CE1 3.84Å; L120-Y224 WeakPolarHBondContact CD2-OH 3.48Å; L120-Y224 HydrophobicContact CG-CE1 4.02Å
121A51.2Low62.7Low49 Ų4988.3 Ų88.341%0.40551%0.512SS..Hα-helixtrans-66.5-36.9175.500000112.5A117 Y118 D119 G123 A124 N125A117-A121 PolarHBondContact O-N 3.43Å; Y118-A121 WeakPolarHBondContact O-CB 3.47Å; Y118-A121 PolarHBondContact O-N 2.93Å; D119-A121 VanDerWaalsContact C-N 3.28Å; D119-A121 PolarHBondContact O-N 3.43Å; A121-G123 VanDerWaalsContact C-N 3.28Å; A121-G123 PolarHBondContact O-N 3.2Å; A121-A124 PolarHBondContact O-N 3.06Å; A121-N125 PolarHBondContact O-N 3.34Å; A121-N125 PolarHBondContact O-ND2 2.96Å
122A53.5Low65.2Low45 Ų4582.2 Ų82.237%0.37248%0.478SS..Hα-helixtrans-66.2-28.8173.600000112.9Y118 D119Y118-A122 PolarHBondContact O-N 3.33Å; D119-A122 PolarHBondContact O-N 3.01Å
123G56.2Low67.7Low25 Ų2579.7 Ų79.726%0.25845%0.45SS..Hα-helixtrans-71.3-47.2169.200000113.1D119 L120 A121 N125 R126D119-G123 PolarHBondContact O-N 2.96Å; L120-G123 PolarHBondContact O-N 3Å; A121-G123 VanDerWaalsContact C-N 3.28Å; A121-G123 PolarHBondContact O-N 3.2Å; G123-N125 PolarHBondContact O-N 3.31Å; G123-R126 WeakPolarHBondContact O-CB 3.44Å; G123-R126 PolarHBondContact O-N 3.06Å
124A60.4Low69.9Low36 Ų3672.3 Ų72.330%0.29841%0.411SS..Hα-helixtrans-62.1-24.7-178.400000114.2L120 A121 R126L120-A124 PolarHBondContact O-N 3.19Å; A121-A124 PolarHBondContact O-N 3.06Å; A124-R126 VanDerWaalsContact C-N 3.31Å; A124-R126 PolarHBondContact O-N 3.45Å
125N70.1Confident72.2Confident91 Ų9168.7 Ų68.749%0.48738%0.381SS..THydrogen-bonded Turntrans-858176.2-77.1-72.8000114.2A121 G123 Y163A121-N125 PolarHBondContact O-N 3.34Å; A121-N125 PolarHBondContact O-ND2 2.96Å; G123-N125 PolarHBondContact O-N 3.31Å; N125-Y163 WeakPolarHBondContact O-CD2 3.41Å
126R83.3Confident74.7Confident168 Ų16862.2 Ų62.263%0.63435%0.351SS*.SBendtrans-93.1144.6175.6-61.4-173.3-177.9-152.7-0.3111.6G123 A124 P128G123-R126 WeakPolarHBondContact O-CB 3.44Å; G123-R126 PolarHBondContact O-N 3.06Å; A124-R126 VanDerWaalsContact C-N 3.31Å; A124-R126 PolarHBondContact O-N 3.45Å; R126-P128 WeakPolarHBondContact O-CD 3.5Å
127K88Confident77.1Confident146 Ų14658.7 Ų58.764%0.63533%0.325SS*.PPolyproline II helixtrans-56.4122.6176-176.2175.7178.3179.10110.3Y163K127-Y163 HydrophobicContact CB-CD1 4.33Å; K127-Y163 HydrophobicContact CB-CD2 4.23Å; K127-Y163 HydrophobicContact CB-CE1 3.92Å; K127-Y163 HydrophobicContact CB-CE2 3.78Å; K127-Y163 HydrophobicContact CB-CG 4.48Å; K127-Y163 HydrophobicContact CD-CE1 4.45Å; K127-Y163 HydrophobicContact CG-CD1 4.39Å; K127-Y163 HydrophobicContact CG-CE1 3.79Å
128P90.6Very high79.3Confident12 Ų1256.4 Ų56.48%0.07830%0.301CS..PPolyproline II helixtrans-61.5147.2-177.7-25.835.1000112.8R126 Y130 F161 F164R126-P128 WeakPolarHBondContact O-CD 3.5Å; P128-Y130 HydrophobicContact CB-CD2 4.11Å; P128-Y130 PolarHBondContact O-N 3.49Å; P128-F161 HydrophobicContact CB-CD1 3.74Å; P128-F161 HydrophobicContact CB-CE1 3.99Å; P128-F161 HydrophobicContact CB-CG 4.37Å; P128-F161 HydrophobicContact CG-CB 3.77Å; P128-F161 HydrophobicContact CG-CD1 3.34Å; P128-F161 HydrophobicContact CG-CE1 4.11Å; P128-F161 HydrophobicContact CG-CG 3.7Å; P128-F164 HydrophobicContact CG-CE2 3.96Å
129P91.3Very high81.7Confident71 Ų7150 Ų5046%0.46128%0.276SS..SBendtrans-76.230178.634.5-37.4000113.1Y221P129-Y221 HydrophobicContact CG-CD2 3.84Å
130Y94.1Very high84.1Confident43 Ų4344.7 Ų44.717%0.16925%0.248CC..  trans-117.1137.6-174.1-69.1-55.2000111P128 C134 L135 M138 F161 L216 T219 Y221P128-Y130 HydrophobicContact CB-CD2 4.11Å; P128-Y130 PolarHBondContact O-N 3.49Å; Y130-C134 HydrophobicContact CD1-CB 4.04Å; Y130-C134 HydrophobicContact CG-CB 4.38Å; Y130-L135 HydrophobicContact CD2-CD2 4.29Å; Y130-L135 HydrophobicContact CG-CD2 4.47Å; Y130-M138 HydrophobicContact CD1-CE 4.38Å; Y130-M138 HydrophobicContact CD2-CE 3.8Å; Y130-M138 HydrophobicContact CE1-CE 4.46Å; Y130-M138 HydrophobicContact CE2-CE 3.89Å; Y130-M138 HydrophobicContact CE2-SD 4.39Å; Y130-M138 HydrophobicContact CG-CE 4.04Å; Y130-F161 AromaticContact CD2-CE1 3.89Å; Y130-F161 HydrophobicContact CD2-CE1 3.89Å; Y130-F161 AromaticContact CD2-CZ 3.69Å; Y130-F161 HydrophobicContact CD2-CZ 3.69Å; Y130-F161 AromaticContact CE2-CE1 3.91Å; Y130-F161 HydrophobicContact CE2-CE1 3.91Å; Y130-F161 AromaticContact CE2-CZ 3.69Å; Y130-F161 HydrophobicContact CE2-CZ 3.69Å; Y130-L216 HydrophobicContact CD1-CD2 3.84Å; Y130-L216 HydrophobicContact CE1-CD2 3.54Å; Y130-T219 WeakPolarHBondContact CE1-O 3.4Å; Y130-Y221 HydrophobicContact CE2-CD2 4.5Å; Y130-Y221 HydrophobicContact CE2-CG 4.24Å; Y130-Y221 WeakPolarHBondContact OH-CB 3.24Å
131S96.2Very high86.2Confident63 Ų6343 Ų4344%0.44124%0.238SC..  trans-72.5159.2168.668.80000110.8S133 C134 L135S131-S133 PolarHBondContact O-N 3.04Å; S131-C134 WeakPolarHBondContact O-CA 3.28Å; S131-C134 WeakPolarHBondContact O-CB 3.44Å; S131-C134 PolarHBondContact O-N 3.45Å; S131-C134 PolarHBondContact OG-N 2.95Å; S131-C134 PolarHBondContact OG-SG 2.98Å; S131-L135 PolarHBondContact O-N 2.99Å
132F97.5Very high88.4Confident48 Ų4845.6 Ų45.621%0.21125%0.245CC..Hα-helixtrans-55.8-35.2174.7-70-68.7000112.4C134 L135 I136 F164 W171 V175 N178F132-C134 VanDerWaalsContact C-N 3.3Å; F132-C134 PolarHBondContact O-N 3.31Å; F132-L135 HydrophobicContact CD1-CD1 4.11Å; F132-L135 PolarHBondContact O-N 3.36Å; F132-I136 WeakPolarHBondContact O-CB 3.46Å; F132-I136 WeakPolarHBondContact O-CD1 3.39Å; F132-I136 WeakPolarHBondContact O-CG1 3.44Å; F132-I136 PolarHBondContact O-N 3.5Å; F132-F164 HydrophobicContact CE1-CE1 4.05Å; F132-F164 HydrophobicContact CE1-CZ 4.35Å; F132-F164 HydrophobicContact CZ-CE1 4.45Å; F132-W171 HydrophobicContact CE1-CB 4.29Å; F132-W171 HydrophobicContact CZ-CB 4.22Å; F132-V175 HydrophobicContact CD1-CG2 3.72Å; F132-V175 HydrophobicContact CE1-CG2 4.15Å; F132-N178 HydrophobicContact CB-CB 4.2Å
133S97.6Very high90.5Very high16 Ų1643.8 Ų43.811%0.11223%0.23CC..Hα-helixtrans-62.4-33.6172.6-40.80000113.1S131 F137 N178 F185S131-S133 PolarHBondContact O-N 3.04Å; S133-F137 VanDerWaalsContact O-CB 3.24Å; S133-F137 WeakPolarHBondContact O-CB 3.34Å; S133-F137 PolarHBondContact O-N 3.19Å; S133-F137 VanDerWaalsContact O-N 3.08Å; S133-N178 PolarHBondContact OG-OD1 3.48Å; S133-F185 WeakPolarHBondContact O-CZ 3.47Å
134C97.1Very high92.3Very high6 Ų648.5 Ų48.54%0.04126%0.256CS..Hα-helixtrans-71.9-44.4173.8-63.60000111.4Y130 S131 F132 F137 M138 L216Y130-C134 HydrophobicContact CD1-CB 4.04Å; Y130-C134 HydrophobicContact CG-CB 4.38Å; S131-C134 WeakPolarHBondContact O-CA 3.28Å; S131-C134 WeakPolarHBondContact O-CB 3.44Å; S131-C134 PolarHBondContact O-N 3.45Å; S131-C134 PolarHBondContact OG-N 2.95Å; S131-C134 PolarHBondContact OG-SG 2.98Å; F132-C134 VanDerWaalsContact C-N 3.3Å; F132-C134 PolarHBondContact O-N 3.31Å; C134-F137 PolarHBondContact O-N 3.08Å; C134-M138 WeakPolarHBondContact O-CG 3.15Å; C134-M138 PolarHBondContact O-N 2.91Å; C134-L216 HydrophobicContact CB-CD2 3.74Å
135L97.4Very high93.8Very high1 Ų152 Ų521%0.00527%0.27CS..Hα-helixtrans-60.8-47.9177.7-63.3173.9000111.9Y130 S131 F132 F137 M138 A139 I157 F161 F164Y130-L135 HydrophobicContact CD2-CD2 4.29Å; Y130-L135 HydrophobicContact CG-CD2 4.47Å; S131-L135 PolarHBondContact O-N 2.99Å; F132-L135 HydrophobicContact CD1-CD1 4.11Å; F132-L135 PolarHBondContact O-N 3.36Å; L135-F137 PolarHBondContact O-N 3.27Å; L135-M138 HydrophobicContact CD2-CE 3.94Å; L135-M138 PolarHBondContact O-N 3.45Å; L135-A139 PolarHBondContact O-N 3.03Å; L135-I157 HydrophobicContact CB-CD1 3.93Å; L135-I157 HydrophobicContact CB-CG1 4.18Å; L135-F161 HydrophobicContact CD2-CD2 3.61Å; L135-F161 HydrophobicContact CD2-CE2 3.43Å; L135-F161 VanDerWaalsContact CD2-CE2 3.43Å; L135-F161 HydrophobicContact CD2-CG 4.35Å; L135-F161 HydrophobicContact CD2-CZ 4.05Å; L135-F164 HydrophobicContact CD1-CE2 3.66Å; L135-F164 HydrophobicContact CD1-CZ 3.64Å
136I98.3Very high95.1Very high0 Ų052 Ų520%027%0.266CS..Hα-helixtrans-62.1-42.3176.3-66.3161.4000110.9F132 I140 I153 V175 N178 L179 F185F132-I136 WeakPolarHBondContact O-CB 3.46Å; F132-I136 WeakPolarHBondContact O-CD1 3.39Å; F132-I136 WeakPolarHBondContact O-CG1 3.44Å; F132-I136 PolarHBondContact O-N 3.5Å; I136-I140 HydrophobicContact CG2-CD1 3.68Å; I136-I140 HydrophobicContact CG2-CG1 4.4Å; I136-I140 WeakPolarHBondContact O-CG1 3.33Å; I136-I140 PolarHBondContact O-N 3.34Å; I136-I153 HydrophobicContact CG1-CG2 4.23Å; I136-V175 HydrophobicContact CD1-CG1 4.17Å; I136-V175 HydrophobicContact CG1-CG1 4.15Å; I136-N178 HydrophobicContact CD1-CB 3.72Å; I136-L179 HydrophobicContact CD1-CD2 4.27Å; I136-L179 HydrophobicContact CD1-CG 4.12Å; I136-L179 HydrophobicContact CG2-CD2 3.58Å; I136-F185 HydrophobicContact CB-CE1 4.16Å; I136-F185 HydrophobicContact CB-CE2 4.18Å; I136-F185 HydrophobicContact CB-CZ 3.79Å; I136-F185 HydrophobicContact CD1-CE2 4.22Å; I136-F185 HydrophobicContact CG2-CD1 3.79Å; I136-F185 HydrophobicContact CG2-CD2 4.18Å; I136-F185 HydrophobicContact CG2-CE1 3.48Å; I136-F185 VanDerWaalsContact CG2-CE1 3.48Å; I136-F185 HydrophobicContact CG2-CE2 3.89Å; I136-F185 HydrophobicContact CG2-CG 4.14Å; I136-F185 HydrophobicContact CG2-CZ 3.54Å
137F98Very high95.7Very high10 Ų1048.7 Ų48.74%0.04425%0.253CS..Hα-helixtrans-60.9-46.1176.4170.8-90000111.4S133 C134 L135 I140 E141 F185 I204 R209 L212 I213 L216S133-F137 VanDerWaalsContact O-CB 3.24Å; S133-F137 WeakPolarHBondContact O-CB 3.34Å; S133-F137 PolarHBondContact O-N 3.19Å; S133-F137 VanDerWaalsContact O-N 3.08Å; C134-F137 PolarHBondContact O-N 3.08Å; L135-F137 PolarHBondContact O-N 3.27Å; F137-I140 PolarHBondContact O-N 3.4Å; F137-E141 HydrophobicContact CE1-CB 4.25Å; F137-E141 HydrophobicContact CE1-CG 4.39Å; F137-E141 HydrophobicContact CZ-CB 4.32Å; F137-E141 HydrophobicContact CZ-CG 4.27Å; F137-E141 WeakPolarHBondContact O-CB 3.49Å; F137-E141 PolarHBondContact O-N 3.28Å; F137-F185 HydrophobicContact CB-CE1 4.44Å; F137-I204 HydrophobicContact CD2-CD1 3.41Å; F137-I204 VanDerWaalsContact CD2-CD1 3.41Å; F137-I204 HydrophobicContact CD2-CG1 3.83Å; F137-I204 HydrophobicContact CD2-CG2 4.17Å; F137-I204 HydrophobicContact CE2-CD1 3.65Å; F137-I204 HydrophobicContact CE2-CG1 4.37Å; F137-I204 HydrophobicContact CE2-CG2 4.27Å; F137-I204 HydrophobicContact CG-CD1 4.24Å; F137-R209 HydrophobicContact CE2-CG 4.37Å; F137-L212 HydrophobicContact CB-CB 4.29Å; F137-L212 HydrophobicContact CB-CD1 4.25Å; F137-L212 HydrophobicContact CD1-CB 4.42Å; F137-L212 HydrophobicContact CD2-CB 3.48Å; F137-L212 VanDerWaalsContact CD2-CB 3.48Å; F137-L212 HydrophobicContact CD2-CD1 3.41Å; F137-L212 VanDerWaalsContact CD2-CD1 3.41Å; F137-L212 HydrophobicContact CD2-CG 4.03Å; F137-L212 HydrophobicContact CE2-CB 3.85Å; F137-L212 HydrophobicContact CE2-CD1 4.15Å; F137-L212 HydrophobicContact CG-CB 3.79Å; F137-L212 HydrophobicContact CG-CD1 4.14Å; F137-L212 HydrophobicContact CG-CG 4.47Å; F137-L212 HydrophobicContact CZ-CB 4.49Å; F137-I213 HydrophobicContact CE1-CG1 4.28Å; F137-I213 HydrophobicContact CE2-CG1 4.29Å; F137-I213 HydrophobicContact CZ-CD1 4.33Å; F137-I213 HydrophobicContact CZ-CG1 3.59Å; F137-L216 HydrophobicContact CD1-CD1 3.56Å; F137-L216 HydrophobicContact CD1-CG 4.43Å; F137-L216 HydrophobicContact CE1-CD1 3.56Å
138M97.4Very high96Very high30 Ų3042.9 Ų42.915%0.14823%0.229CC..Hα-helixtrans-63.7-45.1-180-67.2-177.9-6300111.6Y130 C134 L135 I140 E141 D142 W156 F161 L216Y130-M138 HydrophobicContact CD1-CE 4.38Å; Y130-M138 HydrophobicContact CD2-CE 3.8Å; Y130-M138 HydrophobicContact CE1-CE 4.46Å; Y130-M138 HydrophobicContact CE2-CE 3.89Å; Y130-M138 HydrophobicContact CE2-SD 4.39Å; Y130-M138 HydrophobicContact CG-CE 4.04Å; C134-M138 WeakPolarHBondContact O-CG 3.15Å; C134-M138 PolarHBondContact O-N 2.91Å; L135-M138 HydrophobicContact CD2-CE 3.94Å; L135-M138 PolarHBondContact O-N 3.45Å; M138-I140 PolarHBondContact O-N 2.68Å; M138-E141 PolarHBondContact O-N 3.46Å; M138-D142 WeakPolarHBondContact O-CB 3.42Å; M138-D142 PolarHBondContact O-N 3.1Å; M138-W156 HydrophobicContact CB-CH2 3.34Å; M138-W156 HydrophobicContact CB-CZ2 3.96Å; M138-W156 HydrophobicContact CB-CZ3 3.86Å; M138-W156 HydrophobicContact CE-CH2 4.36Å; M138-W156 HydrophobicContact CG-CH2 4.46Å; M138-F161 HydrophobicContact CE-CE2 3.91Å; M138-F161 HydrophobicContact CE-CZ 3.87Å; M138-L216 HydrophobicContact CE-CD2 4.3Å; M138-L216 HydrophobicContact CG-CD1 3.9Å; M138-L216 HydrophobicContact CG-CD2 4.07Å; M138-L216 HydrophobicContact SD-CD1 4.34Å; M138-L216 HydrophobicContact SD-CD2 3.73Å
139A98.1Very high96.3Very high0 Ų043.6 Ų43.60%023%0.234CC..Hα-helixtrans-58.3-47.817600000113.1L135 E141 A143 L148 I153 W156L135-A139 PolarHBondContact O-N 3.03Å; A139-E141 VanDerWaalsContact C-N 3.31Å; A139-E141 PolarHBondContact O-N 2.97Å; A139-A143 PolarHBondContact O-N 3.29Å; A139-L148 HydrophobicContact CB-CD1 4.13Å; A139-L148 VanDerWaalsContact O-CD1 3.28Å; A139-L148 WeakPolarHBondContact O-CD1 3.34Å; A139-I153 HydrophobicContact CB-CG2 4.39Å; A139-W156 HydrophobicContact CB-CB 3.98Å; A139-W156 HydrophobicContact CB-CD2 3.59Å; A139-W156 HydrophobicContact CB-CE3 3.57Å; A139-W156 HydrophobicContact CB-CG 3.76Å; A139-W156 HydrophobicContact CB-CZ3 4.34Å
140I97.9Very high96.5Very high0 Ų041.9 Ų41.90%022%0.222CC..Hα-helixtrans-70.7-29.5179.3-63.4174.3000111.2I136 F137 M138 K146 L148 I153 F185 W202 I204I136-I140 HydrophobicContact CG2-CD1 3.68Å; I136-I140 HydrophobicContact CG2-CG1 4.4Å; I136-I140 WeakPolarHBondContact O-CG1 3.33Å; I136-I140 PolarHBondContact O-N 3.34Å; F137-I140 PolarHBondContact O-N 3.4Å; M138-I140 PolarHBondContact O-N 2.68Å; I140-K146 VanDerWaalsContact CG2-O 3.28Å; I140-K146 WeakPolarHBondContact CG2-O 3.24Å; I140-K146 WeakPolarHBondContact O-CA 3.28Å; I140-L148 HydrophobicContact CG1-CB 4.49Å; I140-I153 HydrophobicContact CD1-CD1 4.11Å; I140-I153 HydrophobicContact CG1-CD1 4.11Å; I140-I153 HydrophobicContact CG1-CG1 4.44Å; I140-F185 HydrophobicContact CD1-CD1 4.2Å; I140-W202 HydrophobicContact CD1-CB 4.14Å; I140-I204 HydrophobicContact CB-CD1 3.95Å; I140-I204 HydrophobicContact CB-CG1 4.1Å; I140-I204 HydrophobicContact CG2-CD1 3.75Å; I140-I204 HydrophobicContact CG2-CG1 3.78Å
141E97.1Very high96.6Very high42 Ų4245.7 Ų45.720%0.19624%0.239CC..Hα-helixtrans-75.9-35.2177.6-17454.8-150.100112.9F137 M138 A139 K146 I204 R209F137-E141 HydrophobicContact CE1-CB 4.25Å; F137-E141 HydrophobicContact CE1-CG 4.39Å; F137-E141 HydrophobicContact CZ-CB 4.32Å; F137-E141 HydrophobicContact CZ-CG 4.27Å; F137-E141 WeakPolarHBondContact O-CB 3.49Å; F137-E141 PolarHBondContact O-N 3.28Å; M138-E141 PolarHBondContact O-N 3.46Å; A139-E141 VanDerWaalsContact C-N 3.31Å; A139-E141 PolarHBondContact O-N 2.97Å; E141-K146 WeakPolarHBondContact O-CD 3.37Å; E141-K146 PolarHBondContact O-NZ 3.15Å; E141-K146 IonicContact OE1-NZ 2.77Å; E141-K146 PolarHBondContact OE1-NZ 3.31Å; E141-I204 HydrophobicContact CB-CD1 4.27Å; E141-R209 IonicContact OE1-CZ 2.76Å; E141-R209 IonicContact OE1-NH1 3.12Å; E141-R209 IonicContact OE1-NH2 2.82Å; E141-R209 PolarHBondContact OE1-NH2 2.93Å; E141-R209 IonicContact OE2-CZ 2.63Å; E141-R209 IonicContact OE2-NH1 2.58Å; E141-R209 PolarHBondContact OE2-NH1 3.32Å; E141-R209 IonicContact OE2-NH2 2.87Å; E141-R209 PolarHBondContact OE2-NH2 3.34Å
142D97.3Very high96.6Very high104 Ų10446.6 Ų46.656%0.55624%0.239SC*.Hα-helixtrans-69.9-35.4177.2-166.543.9000111.6M138 W156M138-D142 WeakPolarHBondContact O-CB 3.42Å; M138-D142 PolarHBondContact O-N 3.1Å; D142-W156 HydrophobicContact CB-CZ2 4.44Å; D142-W156 PolarHBondContact OD2-NE1 2.85Å
143A95.9Very high96.6Very high8 Ų844.3 Ų44.37%0.06623%0.229CC..SBendtrans-56131.7178.200000113.2A139 N145 K146 L148A139-A143 PolarHBondContact O-N 3.29Å; A143-N145 PolarHBondContact O-N 2.91Å; A143-N145 VanDerWaalsContact O-N 3.12Å; A143-K146 PolarHBondContact O-N 2.98Å; A143-L148 HydrophobicContact CB-CD1 4.07Å; A143-L148 HydrophobicContact CB-CD2 3.58Å; A143-L148 HydrophobicContact CB-CG 3.61Å
144P94.3Very high96.6Very high123 Ų12345.6 Ų45.680%0.79923%0.232SC*.THydrogen-bonded Turntrans-62.4-30.4-173.123.6-34.5000113.2
145N93.3Very high96.6Very high109 Ų10947 Ų4758%0.58325%0.247SC*.THydrogen-bonded Turntrans-89.33178.5-67-65.8000113.9A143 R147A143-N145 PolarHBondContact O-N 2.91Å; A143-N145 VanDerWaalsContact O-N 3.12Å; N145-R147 HydrophobicContact CB-CG 3.81Å; N145-R147 WeakPolarHBondContact O-CG 3.29Å; N145-R147 PolarHBondContact O-N 2.99Å; N145-R147 VanDerWaalsContact O-N 3.07Å
146K96.1Very high96.6Very high93 Ų9348.4 Ų48.440%0.40425%0.252SS..SBendtrans5029.8-172.9-50.9-64.3171.9173.30114.2I140 E141 A143I140-K146 VanDerWaalsContact CG2-O 3.28Å; I140-K146 WeakPolarHBondContact CG2-O 3.24Å; I140-K146 WeakPolarHBondContact O-CA 3.28Å; E141-K146 WeakPolarHBondContact O-CD 3.37Å; E141-K146 PolarHBondContact O-NZ 3.15Å; E141-K146 IonicContact OE1-NZ 2.77Å; E141-K146 PolarHBondContact OE1-NZ 3.31Å; A143-K146 PolarHBondContact O-N 2.98Å
147R95.3Very high96.5Very high97 Ų9748.4 Ų48.437%0.36625%0.252SS..EExtended strand (participates in β ladder)trans-152.8137.1-179.568.4-164.8177169.9-3.2110.5N145 L201 W202N145-R147 HydrophobicContact CB-CG 3.81Å; N145-R147 WeakPolarHBondContact O-CG 3.29Å; N145-R147 PolarHBondContact O-N 2.99Å; N145-R147 VanDerWaalsContact O-N 3.07Å; R147-L201 HydrophobicContact CG-CD1 4.27Å; R147-W202 CarbonylContact C-O 3.59Å; R147-W202 WeakPolarHBondContact CA-O 3.36Å
148L95.8Very high96.4Very high24 Ų2451.1 Ų51.113%0.12627%0.267CS..EExtended strand (participates in β ladder)trans-138149.4178.4-72.4-179000111.8A139 I140 A143 D152 I153 W202A139-L148 HydrophobicContact CB-CD1 4.13Å; A139-L148 VanDerWaalsContact O-CD1 3.28Å; A139-L148 WeakPolarHBondContact O-CD1 3.34Å; I140-L148 HydrophobicContact CG1-CB 4.49Å; A143-L148 HydrophobicContact CB-CD1 4.07Å; A143-L148 HydrophobicContact CB-CD2 3.58Å; A143-L148 HydrophobicContact CB-CG 3.61Å; L148-D152 HydrophobicContact CB-CB 4.44Å; L148-D152 HydrophobicContact CD1-CB 4.4Å; L148-D152 HydrophobicContact CD2-CB 4Å; L148-I153 HydrophobicContact CB-CD1 4.27Å; L148-I153 HydrophobicContact CB-CG1 3.82Å; L148-I153 HydrophobicContact CD1-CG1 3.97Å; L148-W202 PolarHBondContact N-O 2.81Å; L148-W202 PolarHBondContact O-N 2.93Å
149P95.8Very high96.3Very high28 Ų2856.7 Ų56.718%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-74.2166.6161.836.2-36000110.6K151 D152 I153 L201P149-K151 VanDerWaalsContact C-N 3.32Å; P149-K151 PolarHBondContact O-N 3.24Å; P149-D152 WeakPolarHBondContact CD-OD2 3.39Å; P149-D152 HydrophobicContact CG-CB 4.06Å; P149-D152 WeakPolarHBondContact CG-OD1 3.48Å; P149-D152 WeakPolarHBondContact CG-OD2 3.46Å; P149-D152 PolarHBondContact O-N 2.96Å; P149-I153 PolarHBondContact O-N 2.91Å; P149-L201 HydrophobicContact CB-CD2 4.13Å; P149-L201 HydrophobicContact CG-CD2 4.37Å
150V96.2Very high96.1Very high34 Ų3460.6 Ų60.621%0.20631%0.311CS..Hα-helixtrans-65.6-31-174.8-168.40000113.1I153 Y154 R176 L179V150-I153 PolarHBondContact O-N 3.01Å; V150-Y154 HydrophobicContact CG1-CE1 3.9Å; V150-Y154 HydrophobicContact CG1-CE2 4.12Å; V150-Y154 WeakPolarHBondContact O-CD2 3.38Å; V150-Y154 PolarHBondContact O-N 3.07Å; V150-R176 HydrophobicContact CG1-CG 4.18Å; V150-L179 HydrophobicContact CG1-CD1 4.16Å; V150-L179 HydrophobicContact CG2-CD1 4.02Å
151K95.8Very high96Very high124 Ų12461.4 Ų61.454%0.53931%0.314SS..Hα-helixtrans-63.1-45.5178.6-175.5157.6-178.9153.40111.3E57 P149 I153 Y154 G155E57-K151 IonicContact OE1-NZ 3.85Å; E57-K151 PolarHBondContact OE1-NZ 3.2Å; E57-K151 VanDerWaalsContact OE1-NZ 3.16Å; E57-K151 IonicContact OE2-NZ 3.99Å; E57-K151 PolarHBondContact OE2-NZ 3.49Å; P149-K151 VanDerWaalsContact C-N 3.32Å; P149-K151 PolarHBondContact O-N 3.24Å; K151-I153 VanDerWaalsContact C-N 3.33Å; K151-I153 PolarHBondContact O-N 2.95Å; K151-Y154 WeakPolarHBondContact O-CB 3.14Å; K151-Y154 PolarHBondContact O-N 3.41Å; K151-Y154 VanDerWaalsContact O-N 3.08Å; K151-G155 PolarHBondContact O-N 3.08Å; K151-G155 VanDerWaalsContact O-N 3.08Å
152D96.6Very high95.7Very high81 Ų8162.2 Ų62.243%0.43332%0.323SS..Hα-helixtrans-68.9-33.2-177.9-51.79.3000111.3L148 P149 Y154 G155 W156L148-D152 HydrophobicContact CB-CB 4.44Å; L148-D152 HydrophobicContact CD1-CB 4.4Å; L148-D152 HydrophobicContact CD2-CB 4Å; P149-D152 WeakPolarHBondContact CD-OD2 3.39Å; P149-D152 HydrophobicContact CG-CB 4.06Å; P149-D152 WeakPolarHBondContact CG-OD1 3.48Å; P149-D152 WeakPolarHBondContact CG-OD2 3.46Å; P149-D152 PolarHBondContact O-N 2.96Å; D152-Y154 VanDerWaalsContact C-N 3.31Å; D152-Y154 PolarHBondContact O-N 3.26Å; D152-G155 PolarHBondContact O-N 3.21Å; D152-W156 WeakPolarHBondContact O-CB 3.34Å; D152-W156 PolarHBondContact O-N 3.46Å
153I97.8Very high95.6Very high0 Ų060.1 Ų60.10%031%0.308CS..Hα-helixtrans-63-36.7171.4-62.8169.5000111.1I136 A139 I140 L148 P149 V150 K151 I157 V175 L179I136-I153 HydrophobicContact CG1-CG2 4.23Å; A139-I153 HydrophobicContact CB-CG2 4.39Å; I140-I153 HydrophobicContact CD1-CD1 4.11Å; I140-I153 HydrophobicContact CG1-CD1 4.11Å; I140-I153 HydrophobicContact CG1-CG1 4.44Å; L148-I153 HydrophobicContact CB-CD1 4.27Å; L148-I153 HydrophobicContact CB-CG1 3.82Å; L148-I153 HydrophobicContact CD1-CG1 3.97Å; P149-I153 PolarHBondContact O-N 2.91Å; V150-I153 PolarHBondContact O-N 3.01Å; K151-I153 VanDerWaalsContact C-N 3.33Å; K151-I153 PolarHBondContact O-N 2.95Å; I153-I157 HydrophobicContact CG2-CD1 3.98Å; I153-I157 WeakPolarHBondContact O-CB 3.44Å; I153-I157 WeakPolarHBondContact O-CD1 3.37Å; I153-I157 VanDerWaalsContact O-CG1 3.23Å; I153-I157 WeakPolarHBondContact O-CG1 3.5Å; I153-I157 PolarHBondContact O-N 3.37Å; I153-V175 HydrophobicContact CG2-CG1 4.04Å; I153-L179 HydrophobicContact CD1-CD1 4.29Å; I153-L179 HydrophobicContact CD1-CD2 4.32Å
154Y96.9Very high95.5Very high44 Ų4460.3 Ų60.317%0.17331%0.307CS..Hα-helixtrans-66.5-43.5172.5-54.3-40.6000111.6V150 K151 D152 I157 L158 W171 K172 V175 R176V150-Y154 HydrophobicContact CG1-CE1 3.9Å; V150-Y154 HydrophobicContact CG1-CE2 4.12Å; V150-Y154 WeakPolarHBondContact O-CD2 3.38Å; V150-Y154 PolarHBondContact O-N 3.07Å; K151-Y154 WeakPolarHBondContact O-CB 3.14Å; K151-Y154 PolarHBondContact O-N 3.41Å; K151-Y154 VanDerWaalsContact O-N 3.08Å; D152-Y154 VanDerWaalsContact C-N 3.31Å; D152-Y154 PolarHBondContact O-N 3.26Å; Y154-I157 PolarHBondContact O-N 3.44Å; Y154-L158 WeakPolarHBondContact O-CG 3.16Å; Y154-L158 PolarHBondContact O-N 3.44Å; Y154-L158 VanDerWaalsContact O-N 3.07Å; Y154-W171 HydrophobicContact CD1-CH2 4.17Å; Y154-W171 AromaticContact CD1-CZ3 3.95Å; Y154-W171 HydrophobicContact CD1-CZ3 3.95Å; Y154-W171 HydrophobicContact CG-CH2 4.44Å; Y154-K172 HydrophobicContact CD1-CG 4.48Å; Y154-K172 HydrophobicContact CE1-CB 3.92Å; Y154-K172 HydrophobicContact CE1-CG 4.34Å; Y154-V175 HydrophobicContact CD1-CG1 4.35Å; Y154-V175 HydrophobicContact CE1-CB 4.22Å; Y154-V175 HydrophobicContact CE1-CG1 4.07Å; Y154-R176 WeakPolarHBondContact OH-CD 3.48Å; Y154-R176 WeakPolarHBondContact OH-CG 3.42Å; Y154-R176 PolarHBondContact OH-NH1 2.9Å
155G97Very high95.4Very high35 Ų3557.8 Ų57.836%0.36130%0.296SS..Hα-helixtrans-59.7-51.9179.100000112.4K151 D152 I157 L158 E159K151-G155 PolarHBondContact O-N 3.08Å; K151-G155 VanDerWaalsContact O-N 3.08Å; D152-G155 PolarHBondContact O-N 3.21Å; G155-I157 VanDerWaalsContact C-N 3.31Å; G155-I157 PolarHBondContact O-N 3.08Å; G155-L158 WeakPolarHBondContact O-CB 3.41Å; G155-L158 PolarHBondContact O-N 3.24Å; G155-L158 VanDerWaalsContact O-N 3.1Å; G155-E159 PolarHBondContact O-N 3.37Å
156W97.7Very high95.2Very high30 Ų3058.9 Ų58.911%0.11430%0.302CS..Hα-helixtrans-57.9-41.5178.4-171.196000112.3M138 A139 D142 D152 E159 H160 F161M138-W156 HydrophobicContact CB-CH2 3.34Å; M138-W156 HydrophobicContact CB-CZ2 3.96Å; M138-W156 HydrophobicContact CB-CZ3 3.86Å; M138-W156 HydrophobicContact CE-CH2 4.36Å; M138-W156 HydrophobicContact CG-CH2 4.46Å; A139-W156 HydrophobicContact CB-CB 3.98Å; A139-W156 HydrophobicContact CB-CD2 3.59Å; A139-W156 HydrophobicContact CB-CE3 3.57Å; A139-W156 HydrophobicContact CB-CG 3.76Å; A139-W156 HydrophobicContact CB-CZ3 4.34Å; D142-W156 HydrophobicContact CB-CZ2 4.44Å; D142-W156 PolarHBondContact OD2-NE1 2.85Å; D152-W156 WeakPolarHBondContact O-CB 3.34Å; D152-W156 PolarHBondContact O-N 3.46Å; W156-E159 PolarHBondContact O-N 3.32Å; W156-H160 AromaticContact CD1-CE1 3.58Å; W156-H160 AromaticContact CD1-ND1 3.77Å; W156-H160 AromaticContact CD2-ND1 3.58Å; W156-H160 AromaticContact CE2-CD2 3.89Å; W156-H160 AromaticContact CE2-CE1 3.46Å; W156-H160 VanDerWaalsContact CE2-CE1 3.46Å; W156-H160 AromaticContact CE2-CG 3.71Å; W156-H160 AromaticContact CE2-ND1 3.42Å; W156-H160 AromaticContact CE2-NE2 3.74Å; W156-H160 HydrophobicContact CE3-CB 4.33Å; W156-H160 AromaticContact CG-ND1 3.79Å; W156-H160 HydrophobicContact CH2-CB 4.08Å; W156-H160 AromaticContact CH2-CG 3.89Å; W156-H160 HydrophobicContact CZ2-CB 4.34Å; W156-H160 AromaticContact CZ2-CD2 3.57Å; W156-H160 AromaticContact CZ2-CE1 3.95Å; W156-H160 AromaticContact CZ2-CG 3.65Å; W156-H160 AromaticContact CZ2-ND1 3.88Å; W156-H160 AromaticContact CZ2-NE2 3.76Å; W156-H160 HydrophobicContact CZ3-CB 4.11Å; W156-H160 AromaticContact NE1-CE1 3.2Å; W156-H160 PolarHBondContact NE1-CE1 2.79Å; W156-H160 AromaticContact NE1-ND1 3.57Å; W156-H160 AromaticContact NE1-NE2 3.66Å; W156-H160 WeakPolarHBondContact O-CB 3.46Å; W156-H160 PolarHBondContact O-N 3.29Å; W156-H160 PolarHBondContact O-ND1 2.92Å; W156-F161 HydrophobicContact CH2-CE2 4.13Å; W156-F161 HydrophobicContact CZ3-CD2 4.38Å; W156-F161 AromaticContact CZ3-CE2 3.86Å; W156-F161 HydrophobicContact CZ3-CE2 3.86Å
157I96.9Very high94.9Very high0 Ų055.2 Ų55.20%029%0.289CS..Hα-helixtrans-65.5-38.3177.3-71.2172000111.7L135 I153 Y154 G155 F161 F164 W171 V175L135-I157 HydrophobicContact CB-CD1 3.93Å; L135-I157 HydrophobicContact CB-CG1 4.18Å; I153-I157 HydrophobicContact CG2-CD1 3.98Å; I153-I157 WeakPolarHBondContact O-CB 3.44Å; I153-I157 WeakPolarHBondContact O-CD1 3.37Å; I153-I157 VanDerWaalsContact O-CG1 3.23Å; I153-I157 WeakPolarHBondContact O-CG1 3.5Å; I153-I157 PolarHBondContact O-N 3.37Å; Y154-I157 PolarHBondContact O-N 3.44Å; G155-I157 VanDerWaalsContact C-N 3.31Å; G155-I157 PolarHBondContact O-N 3.08Å; I157-F161 WeakPolarHBondContact O-CB 3.23Å; I157-F161 PolarHBondContact O-N 2.81Å; I157-F164 HydrophobicContact CG2-CB 4.09Å; I157-F164 HydrophobicContact CG2-CD2 3.42Å; I157-F164 VanDerWaalsContact CG2-CD2 3.42Å; I157-F164 HydrophobicContact CG2-CE2 3.94Å; I157-F164 HydrophobicContact CG2-CG 3.79Å; I157-W171 HydrophobicContact CB-CZ3 4.39Å; I157-W171 HydrophobicContact CD1-CZ3 4.41Å; I157-W171 HydrophobicContact CG2-CH2 4.21Å; I157-W171 HydrophobicContact CG2-CZ3 3.99Å; I157-V175 HydrophobicContact CD1-CG2 4.11Å
158L95.4Very high94.7Very high67 Ų6754.5 Ų54.535%0.35130%0.297SS..Hα-helixtrans-68.8-40.7177.6-74.3166.6000112.3Y154 G155 F164 A165 W171Y154-L158 WeakPolarHBondContact O-CG 3.16Å; Y154-L158 PolarHBondContact O-N 3.44Å; Y154-L158 VanDerWaalsContact O-N 3.07Å; G155-L158 WeakPolarHBondContact O-CB 3.41Å; G155-L158 PolarHBondContact O-N 3.24Å; G155-L158 VanDerWaalsContact O-N 3.1Å; L158-F164 VanDerWaalsContact CD2-C 3.47Å; L158-F164 HydrophobicContact CD2-CB 4.12Å; L158-A165 HydrophobicContact CD2-CB 4.03Å; L158-W171 HydrophobicContact CD1-CZ2 4.36Å; L158-W171 HydrophobicContact CD2-CZ2 3.9Å; L158-W171 HydrophobicContact CG-CH2 4.18Å; L158-W171 HydrophobicContact CG-CZ2 4.01Å
159E95.7Very high94.2Very high148 Ų14856.6 Ų56.669%0.69231%0.311SS*.Hα-helixtrans-65.3-47.6177.4-179.8177.3-154.700112.1G155 W156G155-E159 PolarHBondContact O-N 3.37Å; W156-E159 PolarHBondContact O-N 3.32Å
160H94.2Very high94.2Very high82 Ų8256.7 Ų56.738%0.3832%0.317SS..Hα-helixtrans-84.1-21.6-174.4-70.372.5000113.8W156W156-H160 AromaticContact CD1-CE1 3.58Å; W156-H160 AromaticContact CD1-ND1 3.77Å; W156-H160 AromaticContact CD2-ND1 3.58Å; W156-H160 AromaticContact CE2-CD2 3.89Å; W156-H160 AromaticContact CE2-CE1 3.46Å; W156-H160 VanDerWaalsContact CE2-CE1 3.46Å; W156-H160 AromaticContact CE2-CG 3.71Å; W156-H160 AromaticContact CE2-ND1 3.42Å; W156-H160 AromaticContact CE2-NE2 3.74Å; W156-H160 HydrophobicContact CE3-CB 4.33Å; W156-H160 AromaticContact CG-ND1 3.79Å; W156-H160 HydrophobicContact CH2-CB 4.08Å; W156-H160 AromaticContact CH2-CG 3.89Å; W156-H160 HydrophobicContact CZ2-CB 4.34Å; W156-H160 AromaticContact CZ2-CD2 3.57Å; W156-H160 AromaticContact CZ2-CE1 3.95Å; W156-H160 AromaticContact CZ2-CG 3.65Å; W156-H160 AromaticContact CZ2-ND1 3.88Å; W156-H160 AromaticContact CZ2-NE2 3.76Å; W156-H160 HydrophobicContact CZ3-CB 4.11Å; W156-H160 AromaticContact NE1-CE1 3.2Å; W156-H160 PolarHBondContact NE1-CE1 2.79Å; W156-H160 AromaticContact NE1-ND1 3.57Å; W156-H160 AromaticContact NE1-NE2 3.66Å; W156-H160 WeakPolarHBondContact O-CB 3.46Å; W156-H160 PolarHBondContact O-N 3.29Å; W156-H160 PolarHBondContact O-ND1 2.92Å
161F94.1Very high94.2Very high17 Ų1756 Ų568%0.07531%0.311CS..  trans-138.780-176.1-60.8-73.3000111.5P128 Y130 L135 M138 W156 I157 Y163 F164P128-F161 HydrophobicContact CB-CD1 3.74Å; P128-F161 HydrophobicContact CB-CE1 3.99Å; P128-F161 HydrophobicContact CB-CG 4.37Å; P128-F161 HydrophobicContact CG-CB 3.77Å; P128-F161 HydrophobicContact CG-CD1 3.34Å; P128-F161 HydrophobicContact CG-CE1 4.11Å; P128-F161 HydrophobicContact CG-CG 3.7Å; Y130-F161 AromaticContact CD2-CE1 3.89Å; Y130-F161 HydrophobicContact CD2-CE1 3.89Å; Y130-F161 AromaticContact CD2-CZ 3.69Å; Y130-F161 HydrophobicContact CD2-CZ 3.69Å; Y130-F161 AromaticContact CE2-CE1 3.91Å; Y130-F161 HydrophobicContact CE2-CE1 3.91Å; Y130-F161 AromaticContact CE2-CZ 3.69Å; Y130-F161 HydrophobicContact CE2-CZ 3.69Å; L135-F161 HydrophobicContact CD2-CD2 3.61Å; L135-F161 HydrophobicContact CD2-CE2 3.43Å; L135-F161 VanDerWaalsContact CD2-CE2 3.43Å; L135-F161 HydrophobicContact CD2-CG 4.35Å; L135-F161 HydrophobicContact CD2-CZ 4.05Å; M138-F161 HydrophobicContact CE-CE2 3.91Å; M138-F161 HydrophobicContact CE-CZ 3.87Å; W156-F161 HydrophobicContact CH2-CE2 4.13Å; W156-F161 HydrophobicContact CZ3-CD2 4.38Å; W156-F161 AromaticContact CZ3-CE2 3.86Å; W156-F161 HydrophobicContact CZ3-CE2 3.86Å; I157-F161 WeakPolarHBondContact O-CB 3.23Å; I157-F161 PolarHBondContact O-N 2.81Å; F161-Y163 PolarHBondContact O-N 2.87Å; F161-F164 HydrophobicContact CB-CD2 3.78Å; F161-F164 HydrophobicContact CB-CE2 4.11Å; F161-F164 PolarHBondContact O-N 3.45Å
162P92.3Very high94.2Very high58 Ų5853.1 Ų53.138%0.37730%0.298SS..G310 helixtrans-51.3-29.1-173.9-31.737.4000115.6F164 A165P162-F164 PolarHBondContact O-N 2.89Å; P162-A165 VanDerWaalsContact O-CB 3.28Å; P162-A165 WeakPolarHBondContact O-CB 3.42Å; P162-A165 PolarHBondContact O-N 3.01Å
163Y93.6Very high94.2Very high61 Ų6153.7 Ų53.724%0.23930%0.301CS..G310 helixtrans-40.7-38.7168.2170.6-95.7000114.3N125 K127 F161 A165 N166 A167N125-Y163 WeakPolarHBondContact O-CD2 3.41Å; K127-Y163 HydrophobicContact CB-CD1 4.33Å; K127-Y163 HydrophobicContact CB-CD2 4.23Å; K127-Y163 HydrophobicContact CB-CE1 3.92Å; K127-Y163 HydrophobicContact CB-CE2 3.78Å; K127-Y163 HydrophobicContact CB-CG 4.48Å; K127-Y163 HydrophobicContact CD-CE1 4.45Å; K127-Y163 HydrophobicContact CG-CD1 4.39Å; K127-Y163 HydrophobicContact CG-CE1 3.79Å; F161-Y163 PolarHBondContact O-N 2.87Å; Y163-A165 VanDerWaalsContact C-N 3.28Å; Y163-A165 PolarHBondContact O-N 2.88Å; Y163-N166 PolarHBondContact O-N 3.28Å; Y163-A167 HydrophobicContact CD1-CB 4.36Å; Y163-A167 HydrophobicContact CE1-CB 3.9Å; Y163-A167 WeakPolarHBondContact O-CB 3.49Å; Y163-A167 PolarHBondContact O-N 3.2Å; Y163-A167 VanDerWaalsContact O-N 3.16Å
164F94.3Very high94.2Very high12 Ų1255.7 Ų55.75%0.05332%0.315CS..G310 helixtrans-74.4-12.8-178-71.1-72.2000114.7P128 F132 L135 I157 L158 F161 P162 N166 A167 W171P128-F164 HydrophobicContact CG-CE2 3.96Å; F132-F164 HydrophobicContact CE1-CE1 4.05Å; F132-F164 HydrophobicContact CE1-CZ 4.35Å; F132-F164 HydrophobicContact CZ-CE1 4.45Å; L135-F164 HydrophobicContact CD1-CE2 3.66Å; L135-F164 HydrophobicContact CD1-CZ 3.64Å; I157-F164 HydrophobicContact CG2-CB 4.09Å; I157-F164 HydrophobicContact CG2-CD2 3.42Å; I157-F164 VanDerWaalsContact CG2-CD2 3.42Å; I157-F164 HydrophobicContact CG2-CE2 3.94Å; I157-F164 HydrophobicContact CG2-CG 3.79Å; L158-F164 VanDerWaalsContact CD2-C 3.47Å; L158-F164 HydrophobicContact CD2-CB 4.12Å; F161-F164 HydrophobicContact CB-CD2 3.78Å; F161-F164 HydrophobicContact CB-CE2 4.11Å; F161-F164 PolarHBondContact O-N 3.45Å; P162-F164 PolarHBondContact O-N 2.89Å; F164-N166 VanDerWaalsContact C-N 3.32Å; F164-A167 HydrophobicContact CD1-CB 4.09Å; F164-W171 HydrophobicContact CB-CD2 4.42Å; F164-W171 HydrophobicContact CB-CZ2 4.11Å; F164-W171 HydrophobicContact CD1-CB 4.13Å; F164-W171 AromaticContact CD1-CD2 3.86Å; F164-W171 HydrophobicContact CD1-CD2 3.86Å; F164-W171 HydrophobicContact CD1-CE3 4.25Å; F164-W171 AromaticContact CD1-CG 3.81Å; F164-W171 HydrophobicContact CD1-CG 3.81Å; F164-W171 HydrophobicContact CE1-CB 4.28Å; F164-W171 HydrophobicContact CE1-CG 4.44Å; F164-W171 HydrophobicContact CG-CD2 4.46Å; F164-W171 PolarHBondContact O-NE1 3.16Å
165A92.3Very high94.3Very high69 Ų6953.6 Ų53.657%0.5731%0.307SS*.G310 helixtrans-69.7-31.517300000112.1L158 P162 Y163L158-A165 HydrophobicContact CD2-CB 4.03Å; P162-A165 VanDerWaalsContact O-CB 3.28Å; P162-A165 WeakPolarHBondContact O-CB 3.42Å; P162-A165 PolarHBondContact O-N 3.01Å; Y163-A165 VanDerWaalsContact C-N 3.28Å; Y163-A165 PolarHBondContact O-N 2.88Å
166N90.3Very high94.3Very high133 Ų13356.3 Ų56.371%0.71131%0.306SS*.SBendtrans-108.93.8178.6-59.298.9000113.4Y163 F164Y163-N166 PolarHBondContact O-N 3.28Å; F164-N166 VanDerWaalsContact C-N 3.32Å
167A89.1Confident94.3Very high15 Ų1559.8 Ų59.812%0.12432%0.324CS..SBendtrans-77.2151.1179.300000112.5Y163 F164 T169Y163-A167 HydrophobicContact CD1-CB 4.36Å; Y163-A167 HydrophobicContact CE1-CB 3.9Å; Y163-A167 WeakPolarHBondContact O-CB 3.49Å; Y163-A167 PolarHBondContact O-N 3.2Å; Y163-A167 VanDerWaalsContact O-N 3.16Å; F164-A167 HydrophobicContact CD1-CB 4.09Å; A167-T169 PolarHBondContact O-N 3.4Å
168P90.1Very high94.3Very high83 Ų8361.2 Ų61.254%0.53933%0.331SS..  trans-52.7136.8177-27.635.1000113.4G170 W171P168-G170 PolarHBondContact O-N 3.39Å; P168-W171 VanDerWaalsContact O-CD1 3.27Å; P168-W171 PolarHBondContact O-N 3.45Å
169T86.9Confident94.4Very high67 Ų6758.1 Ų58.141%0.41132%0.315SS..THydrogen-bonded Turntrans-55.7-22.7-169.7500000114.5E60 A167 W171 K172E60-T169 WeakPolarHBondContact OE1-CG2 3.07Å; A167-T169 PolarHBondContact O-N 3.4Å; T169-W171 PolarHBondContact O-N 2.95Å; T169-W171 VanDerWaalsContact O-N 3.08Å; T169-K172 PolarHBondContact O-N 2.91Å
170G94.2Very high94.5Very high30 Ų3055.3 Ų55.331%0.30931%0.312SS..Hα-helixtrans-54.4-20.817200000115.5P168 K172 N173 S174P168-G170 PolarHBondContact O-N 3.39Å; G170-K172 VanDerWaalsContact C-N 3.32Å; G170-K172 PolarHBondContact O-N 3.35Å; G170-N173 WeakPolarHBondContact O-CA 3.17Å; G170-N173 VanDerWaalsContact O-CB 3.31Å; G170-N173 WeakPolarHBondContact O-CB 3.43Å; G170-N173 PolarHBondContact O-N 3.3Å; G170-S174 PolarHBondContact O-N 2.94Å; G170-S174 PolarHBondContact O-OG 2.89Å
171W96.2Very high94.6Very high19 Ų1956.4 Ų56.47%0.07232%0.32CS..Hα-helixtrans-61.6-37.3179.479.7-105.7000113F132 Y154 I157 L158 F164 P168 T169 N173 S174 V175F132-W171 HydrophobicContact CE1-CB 4.29Å; F132-W171 HydrophobicContact CZ-CB 4.22Å; Y154-W171 HydrophobicContact CD1-CH2 4.17Å; Y154-W171 AromaticContact CD1-CZ3 3.95Å; Y154-W171 HydrophobicContact CD1-CZ3 3.95Å; Y154-W171 HydrophobicContact CG-CH2 4.44Å; I157-W171 HydrophobicContact CB-CZ3 4.39Å; I157-W171 HydrophobicContact CD1-CZ3 4.41Å; I157-W171 HydrophobicContact CG2-CH2 4.21Å; I157-W171 HydrophobicContact CG2-CZ3 3.99Å; L158-W171 HydrophobicContact CD1-CZ2 4.36Å; L158-W171 HydrophobicContact CD2-CZ2 3.9Å; L158-W171 HydrophobicContact CG-CH2 4.18Å; L158-W171 HydrophobicContact CG-CZ2 4.01Å; F164-W171 HydrophobicContact CB-CD2 4.42Å; F164-W171 HydrophobicContact CB-CZ2 4.11Å; F164-W171 HydrophobicContact CD1-CB 4.13Å; F164-W171 AromaticContact CD1-CD2 3.86Å; F164-W171 HydrophobicContact CD1-CD2 3.86Å; F164-W171 HydrophobicContact CD1-CE3 4.25Å; F164-W171 AromaticContact CD1-CG 3.81Å; F164-W171 HydrophobicContact CD1-CG 3.81Å; F164-W171 HydrophobicContact CE1-CB 4.28Å; F164-W171 HydrophobicContact CE1-CG 4.44Å; F164-W171 HydrophobicContact CG-CD2 4.46Å; F164-W171 PolarHBondContact O-NE1 3.16Å; P168-W171 VanDerWaalsContact O-CD1 3.27Å; P168-W171 PolarHBondContact O-N 3.45Å; T169-W171 PolarHBondContact O-N 2.95Å; T169-W171 VanDerWaalsContact O-N 3.08Å; W171-N173 PolarHBondContact O-N 3.33Å; W171-S174 WeakPolarHBondContact O-CB 3.36Å; W171-S174 PolarHBondContact O-N 2.78Å; W171-S174 VanDerWaalsContact O-N 3.14Å; W171-V175 HydrophobicContact CE3-CG2 3.98Å; W171-V175 HydrophobicContact CZ3-CG2 4.12Å; W171-V175 PolarHBondContact O-N 3.05Å
172K96.5Very high94.7Very high65 Ų6557.3 Ų57.328%0.28333%0.326SS..Hα-helixtrans-59.2-36.4174-60.4177.5-167.5167.20110.9E60 Y154 T169 G170 R176E60-K172 IonicContact OE2-NZ 2.68Å; E60-K172 PolarHBondContact OE2-NZ 3.28Å; Y154-K172 HydrophobicContact CD1-CG 4.48Å; Y154-K172 HydrophobicContact CE1-CB 3.92Å; Y154-K172 HydrophobicContact CE1-CG 4.34Å; T169-K172 PolarHBondContact O-N 2.91Å; G170-K172 VanDerWaalsContact C-N 3.32Å; G170-K172 PolarHBondContact O-N 3.35Å; K172-R176 WeakPolarHBondContact O-CG 3.38Å; K172-R176 PolarHBondContact O-N 3.28Å
173N97.2Very high94.9Very high92 Ų9262.2 Ų62.249%0.49234%0.341SS..Hα-helixtrans-72-40.3176.8-162.634.1000111.8G170 W171 V175 R176 H177G170-N173 WeakPolarHBondContact O-CA 3.17Å; G170-N173 VanDerWaalsContact O-CB 3.31Å; G170-N173 WeakPolarHBondContact O-CB 3.43Å; G170-N173 PolarHBondContact O-N 3.3Å; W171-N173 PolarHBondContact O-N 3.33Å; N173-V175 VanDerWaalsContact C-N 3.28Å; N173-V175 PolarHBondContact O-N 3.37Å; N173-R176 PolarHBondContact O-N 2.98Å; N173-R176 PolarHBondContact OD1-NH2 2.73Å; N173-H177 WeakPolarHBondContact O-CB 3.39Å; N173-H177 PolarHBondContact O-N 3.16Å
174S97.7Very high95.1Very high42 Ų4260.4 Ų60.429%0.29434%0.337SS..Hα-helixtrans-59-37.4173.4-55.40000112.5G170 W171 N178G170-S174 PolarHBondContact O-N 2.94Å; G170-S174 PolarHBondContact O-OG 2.89Å; W171-S174 WeakPolarHBondContact O-CB 3.36Å; W171-S174 PolarHBondContact O-N 2.78Å; W171-S174 VanDerWaalsContact O-N 3.14Å; S174-N178 WeakPolarHBondContact O-CB 3.21Å; S174-N178 PolarHBondContact O-N 3.38Å; S174-N178 PolarHBondContact O-ND2 3.36Å
175V97.8Very high95.2Very high0 Ų060.3 Ų60.30%034%0.337CS..Hα-helixtrans-63-51.1173.2169.30000111.3F132 I136 I153 Y154 I157 W171 N173 H177 N178 L179F132-V175 HydrophobicContact CD1-CG2 3.72Å; F132-V175 HydrophobicContact CE1-CG2 4.15Å; I136-V175 HydrophobicContact CD1-CG1 4.17Å; I136-V175 HydrophobicContact CG1-CG1 4.15Å; I153-V175 HydrophobicContact CG2-CG1 4.04Å; Y154-V175 HydrophobicContact CD1-CG1 4.35Å; Y154-V175 HydrophobicContact CE1-CB 4.22Å; Y154-V175 HydrophobicContact CE1-CG1 4.07Å; I157-V175 HydrophobicContact CD1-CG2 4.11Å; W171-V175 HydrophobicContact CE3-CG2 3.98Å; W171-V175 HydrophobicContact CZ3-CG2 4.12Å; W171-V175 PolarHBondContact O-N 3.05Å; N173-V175 VanDerWaalsContact C-N 3.28Å; N173-V175 PolarHBondContact O-N 3.37Å; V175-H177 VanDerWaalsContact C-N 3.32Å; V175-H177 PolarHBondContact O-N 3.16Å; V175-N178 PolarHBondContact O-N 2.82Å; V175-N178 VanDerWaalsContact O-N 3.14Å; V175-L179 HydrophobicContact CG1-CD1 4.32Å; V175-L179 PolarHBondContact O-N 3.01Å
176R97.6Very high95.4Very high93 Ų9361 Ų6135%0.35133%0.327SS..Hα-helixtrans-57.7-43.4177.4-67.8-173.5-60.1-103.316112.6V150 Y154 K172 N173 L179 S180V150-R176 HydrophobicContact CG1-CG 4.18Å; Y154-R176 WeakPolarHBondContact OH-CD 3.48Å; Y154-R176 WeakPolarHBondContact OH-CG 3.42Å; Y154-R176 PolarHBondContact OH-NH1 2.9Å; K172-R176 WeakPolarHBondContact O-CG 3.38Å; K172-R176 PolarHBondContact O-N 3.28Å; N173-R176 PolarHBondContact O-N 2.98Å; N173-R176 PolarHBondContact OD1-NH2 2.73Å; R176-L179 PolarHBondContact O-N 3.38Å; R176-S180 PolarHBondContact O-N 3.14Å; R176-S180 PolarHBondContact O-OG 3.06Å
177H97.8Very high95.7Very high103 Ų10359.9 Ų59.948%0.47732%0.316SS..Hα-helixtrans-63.8-40176.3175.170.6000112.3N173 V175 S180 L181N173-H177 WeakPolarHBondContact O-CB 3.39Å; N173-H177 PolarHBondContact O-N 3.16Å; V175-H177 VanDerWaalsContact C-N 3.32Å; V175-H177 PolarHBondContact O-N 3.16Å; H177-S180 PolarHBondContact O-N 3.37Å; H177-S180 PolarHBondContact O-OG 3.26Å; H177-L181 WeakPolarHBondContact O-CB 3.28Å; H177-L181 PolarHBondContact O-N 3.41Å
178N98Very high95.9Very high29 Ų2961 Ų6116%0.15532%0.321CS..Hα-helixtrans-68.7-33.8177-86.9-90.6000112.8F132 S133 I136 S174 V175 N182F132-N178 HydrophobicContact CB-CB 4.2Å; S133-N178 PolarHBondContact OG-OD1 3.48Å; I136-N178 HydrophobicContact CD1-CB 3.72Å; S174-N178 WeakPolarHBondContact O-CB 3.21Å; S174-N178 PolarHBondContact O-N 3.38Å; S174-N178 PolarHBondContact O-ND2 3.36Å; V175-N178 PolarHBondContact O-N 2.82Å; V175-N178 VanDerWaalsContact O-N 3.14Å; N178-N182 WeakPolarHBondContact CA-ND2 3.38Å; N178-N182 WeakPolarHBondContact O-CB 3.48Å; N178-N182 PolarHBondContact O-N 2.95Å; N178-N182 VanDerWaalsContact O-N 3.13Å; N178-N182 PolarHBondContact O-ND2 2.83Å; N178-N182 PolarHBondContact OD1-ND2 2.96Å
179L97.6Very high95.6Very high2 Ų263.1 Ų63.11%0.0133%0.327CS..Hα-helixtrans-63.1-41.6173.9-72.9169.3000112.3I136 V150 I153 V175 R176 F185 W202I136-L179 HydrophobicContact CD1-CD2 4.27Å; I136-L179 HydrophobicContact CD1-CG 4.12Å; I136-L179 HydrophobicContact CG2-CD2 3.58Å; V150-L179 HydrophobicContact CG1-CD1 4.16Å; V150-L179 HydrophobicContact CG2-CD1 4.02Å; I153-L179 HydrophobicContact CD1-CD1 4.29Å; I153-L179 HydrophobicContact CD1-CD2 4.32Å; V175-L179 HydrophobicContact CG1-CD1 4.32Å; V175-L179 PolarHBondContact O-N 3.01Å; R176-L179 PolarHBondContact O-N 3.38Å; L179-F185 HydrophobicContact CD2-CB 4.13Å; L179-F185 HydrophobicContact CD2-CD2 4.27Å; L179-F185 HydrophobicContact CD2-CG 4.1Å; L179-W202 HydrophobicContact CB-CD2 4.1Å; L179-W202 HydrophobicContact CB-CE3 4.07Å; L179-W202 HydrophobicContact CB-CH2 3.97Å; L179-W202 HydrophobicContact CB-CZ2 4Å; L179-W202 HydrophobicContact CB-CZ3 4.01Å; L179-W202 HydrophobicContact CD1-CD2 4.28Å; L179-W202 HydrophobicContact CD1-CG 4.25Å; L179-W202 HydrophobicContact CD2-CB 4.1Å; L179-W202 HydrophobicContact CD2-CD2 3.86Å; L179-W202 HydrophobicContact CD2-CE3 3.99Å; L179-W202 HydrophobicContact CD2-CG 3.9Å; L179-W202 HydrophobicContact CG-CD2 4.31Å; L179-W202 WeakPolarHBondContact O-CZ3 3.37Å
180S96.8Very high95.2Very high90 Ų9063.3 Ų63.363%0.62932%0.322SS*.Hα-helixtrans-84.2-27.7-179.458.70000114.7R176 H177R176-S180 PolarHBondContact O-N 3.14Å; R176-S180 PolarHBondContact O-OG 3.06Å; H177-S180 PolarHBondContact O-N 3.37Å; H177-S180 PolarHBondContact O-OG 3.26Å
181L96.4Very high94.4Very high105 Ų10567.1 Ų67.155%0.5534%0.336SS..Hα-helixtrans-83.3-41.6-179.5-177.1149.1000113.2H177 K183H177-L181 WeakPolarHBondContact O-CB 3.28Å; H177-L181 PolarHBondContact O-N 3.41Å; L181-K183 PolarHBondContact O-N 3.13Å
182N95.8Very high93.1Very high36 Ų3677.1 Ų77.119%0.19337%0.373CS..  trans-85.5116-173.1-65.4-88.8000110.9N178 C184 F185N178-N182 WeakPolarHBondContact CA-ND2 3.38Å; N178-N182 WeakPolarHBondContact O-CB 3.48Å; N178-N182 PolarHBondContact O-N 2.95Å; N178-N182 VanDerWaalsContact O-N 3.13Å; N178-N182 PolarHBondContact O-ND2 2.83Å; N178-N182 PolarHBondContact OD1-ND2 2.96Å; N182-C184 HydrophobicContact CB-CB 4.11Å; N182-C184 PolarHBondContact O-N 2.93Å; N182-F185 HydrophobicContact CB-CD2 3.96Å; N182-F185 HydrophobicContact CB-CE2 4.11Å; N182-F185 PolarHBondContact O-N 3.28Å
183K96.6Very high91.6Very high161 Ų16179 Ų7970%0.740%0.395SS*.THydrogen-bonded Turntrans-53.8-15.3169.5-60.2-173.9178.3-174.40114.6L181 F185 Y208L181-K183 PolarHBondContact O-N 3.13Å; K183-F185 PolarHBondContact O-N 3.4Å; K183-Y208 HydrophobicContact CB-CD2 4.13Å; K183-Y208 HydrophobicContact CB-CE2 3.64Å; K183-Y208 WeakPolarHBondContact O-CD2 3.49Å
184C97.3Very high90.1Very high23 Ų2381 Ų8116%0.15540%0.402CS..THydrogen-bonded Turntrans-57.3-25.6170-69.90000114.1N182 D205 L212N182-C184 HydrophobicContact CB-CB 4.11Å; N182-C184 PolarHBondContact O-N 2.93Å; C184-D205 PolarHBondContact O-N 3.14Å; C184-L212 HydrophobicContact CB-CD1 3.93Å; C184-L212 HydrophobicContact CB-CD2 4.11Å; C184-L212 HydrophobicContact CB-CG 4.38Å
185F97.8Very high88.2Confident10 Ų1082.3 Ų82.34%0.04441%0.41CS..EExtended strand (participates in β ladder)trans-117.9137.8179.4-49.9-60.6000109.9S133 I136 F137 I140 L179 N182 K183 W202 S203 I204 L212S133-F185 WeakPolarHBondContact O-CZ 3.47Å; I136-F185 HydrophobicContact CB-CE1 4.16Å; I136-F185 HydrophobicContact CB-CE2 4.18Å; I136-F185 HydrophobicContact CB-CZ 3.79Å; I136-F185 HydrophobicContact CD1-CE2 4.22Å; I136-F185 HydrophobicContact CG2-CD1 3.79Å; I136-F185 HydrophobicContact CG2-CD2 4.18Å; I136-F185 HydrophobicContact CG2-CE1 3.48Å; I136-F185 VanDerWaalsContact CG2-CE1 3.48Å; I136-F185 HydrophobicContact CG2-CE2 3.89Å; I136-F185 HydrophobicContact CG2-CG 4.14Å; I136-F185 HydrophobicContact CG2-CZ 3.54Å; F137-F185 HydrophobicContact CB-CE1 4.44Å; I140-F185 HydrophobicContact CD1-CD1 4.2Å; L179-F185 HydrophobicContact CD2-CB 4.13Å; L179-F185 HydrophobicContact CD2-CD2 4.27Å; L179-F185 HydrophobicContact CD2-CG 4.1Å; N182-F185 HydrophobicContact CB-CD2 3.96Å; N182-F185 HydrophobicContact CB-CE2 4.11Å; N182-F185 PolarHBondContact O-N 3.28Å; K183-F185 PolarHBondContact O-N 3.4Å; F185-W202 HydrophobicContact CB-CE3 4.13Å; F185-S203 WeakPolarHBondContact CA-O 3.31Å; F185-I204 HydrophobicContact CD1-CG1 4.43Å; F185-I204 HydrophobicContact CE1-CG1 4.34Å; F185-L212 HydrophobicContact CE1-CD1 4.33Å
186K96.7Very high86.5Confident84 Ų8490.4 Ų90.437%0.36545%0.452SS..EExtended strand (participates in β ladder)trans-124.6135.4173.259.7-175.8166-160.60110.8V188 W202 S203 D205K186-V188 PolarHBondContact O-N 3.13Å; K186-W202 WeakPolarHBondContact O-CA 3.43Å; K186-S203 WeakPolarHBondContact CG-OG 3.46Å; K186-S203 PolarHBondContact N-O 3.24Å; K186-S203 PolarHBondContact O-N 3.3Å; K186-D205 HydrophobicContact CD-CB 4.48Å; K186-D205 WeakPolarHBondContact CD-OD2 3.36Å; K186-D205 VanDerWaalsContact CE-OD2 3.29Å; K186-D205 WeakPolarHBondContact CE-OD2 3.26Å; K186-D205 IonicContact NZ-OD2 2.81Å; K186-D205 PolarHBondContact NZ-OD2 3.23Å
187K96.2Very high85Confident109 Ų10988 Ų8847%0.47446%0.456SS..EExtended strand (participates in β ladder)trans-60.7130.5164.8167.5171.3162165.50108.2D189 S200 L201 W202K187-D189 WeakPolarHBondContact CE-OD1 3.12Å; K187-D189 IonicContact NZ-OD1 3.17Å; K187-S200 VanDerWaalsContact CE-OG 3.26Å; K187-S200 WeakPolarHBondContact CE-OG 3.11Å; K187-S200 PolarHBondContact NZ-OG 3.35Å; K187-L201 CarbonylContact C-O 3.27Å; K187-L201 WeakPolarHBondContact CA-O 3.2Å; K187-W202 HydrophobicContact CB-CE3 4.35Å; K187-W202 HydrophobicContact CB-CH2 4.24Å; K187-W202 HydrophobicContact CB-CZ2 4.46Å; K187-W202 HydrophobicContact CB-CZ3 4.17Å
188V92.4Very high83.9Confident38 Ų3892 Ų9223%0.2347%0.472CS..EExtended strand (participates in β ladder)trans-107.2123.2173.1-176.80000107.1K186 L201 S203K186-V188 PolarHBondContact O-N 3.13Å; V188-L201 HydrophobicContact CB-CB 4.23Å; V188-L201 PolarHBondContact N-O 3.34Å; V188-S203 WeakPolarHBondContact CG2-OG 3.43Å
189D85.3Confident83.2Confident127 Ų12793 Ų9368%0.67949%0.49SS*.PPolyproline II helixtrans-69.1136.5173.7-68.4-47.4000110.1K187K187-D189 WeakPolarHBondContact CE-OD1 3.12Å; K187-D189 IonicContact NZ-OD1 3.17Å
190K78.4Confident82.9Confident71 Ų7194.9 Ų94.931%0.30950%0.503SS..PPolyproline II helixtrans-82.1131.3-177-163.9168.3-175.7170.60107.6R192 Q194 G197K190-R192 PolarHBondContact O-N 3.39Å; K190-Q194 WeakPolarHBondContact CE-O 3.45Å; K190-G197 PolarHBondContact NZ-O 3.46Å
191D77.6Confident82.8Confident110 Ų11091.7 Ų91.759%0.58848%0.479SS*.PPolyproline II helixtrans-54.8131.7175-169.3-27.7000109.1S193 Q194 S195D191-S193 PolarHBondContact O-N 3.03Å; D191-S193 VanDerWaalsContact O-N 3.15Å; D191-S193 PolarHBondContact OD1-N 3.08Å; D191-Q194 PolarHBondContact O-N 3.06Å; D191-S195 PolarHBondContact O-N 3.01Å
192R67.1Low82.8Confident229 Ų22988.7 Ų88.786%0.86446%0.46SS*.THydrogen-bonded Turntrans-59.8-23.9-178.8-168.6179.6-66.5-175.3-0111.6K190 S195K190-R192 PolarHBondContact O-N 3.39Å; R192-S195 PolarHBondContact O-OG 2.76Å
193S66.8Low82.9Confident106 Ų10687.7 Ų87.774%0.74146%0.456SS*.THydrogen-bonded Turntrans-74.3-20.3174.1-168.20000113.9D191D191-S193 PolarHBondContact O-N 3.03Å; D191-S193 VanDerWaalsContact O-N 3.15Å; D191-S193 PolarHBondContact OD1-N 3.08Å
194Q64.3Low83Confident134 Ų13480.6 Ų80.663%0.62643%0.425SS*.SBendtrans-114.310.4-178.9-78-169-19.500114.3K190 D191 I196K190-Q194 WeakPolarHBondContact CE-O 3.45Å; D191-Q194 PolarHBondContact O-N 3.06Å; Q194-I196 VanDerWaalsContact C-N 3.29Å; Q194-I196 PolarHBondContact O-N 3.38Å
195S58Low83Confident68 Ų6880.8 Ų80.848%0.47643%0.425SS..THydrogen-bonded Turntrans-84.249.4-169.466.30000115.5D191 R192D191-S195 PolarHBondContact O-N 3.01Å; R192-S195 PolarHBondContact O-OG 2.76Å
196I63.4Low82.9Confident171 Ų17184.8 Ų84.888%0.87745%0.452SS*.THydrogen-bonded Turntrans-80.7-29.9175.5-67.2175.2000112.5Q194Q194-I196 VanDerWaalsContact C-N 3.29Å; Q194-I196 PolarHBondContact O-N 3.38Å
197G65.5Low82.9Confident41 Ų4188 Ų8842%0.42347%0.468SS..SBendtrans-93.9132.4-178.500000115.3K190K190-G197 PolarHBondContact NZ-O 3.46Å
198K74.2Confident82.9Confident187 Ų18786.7 Ų86.781%0.81346%0.461SS*.SBendtrans-52129.4174.3-174.9-179.2178.4-174.50111.7D58D58-K198 IonicContact OD2-NZ 2.64Å; D58-K198 PolarHBondContact OD2-NZ 3Å
199G83.4Confident83.1Confident52 Ų5288.7 Ų88.754%0.53646%0.464SS..SBendtrans104.6159.9172.300000116.2
200S91.1Very high83.6Confident41 Ų4188 Ų8829%0.28746%0.457SS..  trans-90.1150.2177.1-53.20000111.9K187K187-S200 VanDerWaalsContact CE-OG 3.26Å; K187-S200 WeakPolarHBondContact CE-OG 3.11Å; K187-S200 PolarHBondContact NZ-OG 3.35Å
201L94.5Very high84.4Confident23 Ų2388.7 Ų88.712%0.1246%0.464CS..EExtended strand (participates in β ladder)trans-83.3152.7172.6-62.5175.7000110.3R147 P149 K187 V188R147-L201 HydrophobicContact CG-CD1 4.27Å; P149-L201 HydrophobicContact CB-CD2 4.13Å; P149-L201 HydrophobicContact CG-CD2 4.37Å; K187-L201 CarbonylContact C-O 3.27Å; K187-L201 WeakPolarHBondContact CA-O 3.2Å; V188-L201 HydrophobicContact CB-CB 4.23Å; V188-L201 PolarHBondContact N-O 3.34Å
202W97.1Very high85.3Confident41 Ų4184 Ų8416%0.15544%0.438CS..EExtended strand (participates in β ladder)trans-122.9139.8174.1-68.789.5000109.7I140 R147 L148 L179 F185 K186 K187I140-W202 HydrophobicContact CD1-CB 4.14Å; R147-W202 CarbonylContact C-O 3.59Å; R147-W202 WeakPolarHBondContact CA-O 3.36Å; L148-W202 PolarHBondContact N-O 2.81Å; L148-W202 PolarHBondContact O-N 2.93Å; L179-W202 HydrophobicContact CB-CD2 4.1Å; L179-W202 HydrophobicContact CB-CE3 4.07Å; L179-W202 HydrophobicContact CB-CH2 3.97Å; L179-W202 HydrophobicContact CB-CZ2 4Å; L179-W202 HydrophobicContact CB-CZ3 4.01Å; L179-W202 HydrophobicContact CD1-CD2 4.28Å; L179-W202 HydrophobicContact CD1-CG 4.25Å; L179-W202 HydrophobicContact CD2-CB 4.1Å; L179-W202 HydrophobicContact CD2-CD2 3.86Å; L179-W202 HydrophobicContact CD2-CE3 3.99Å; L179-W202 HydrophobicContact CD2-CG 3.9Å; L179-W202 HydrophobicContact CG-CD2 4.31Å; L179-W202 WeakPolarHBondContact O-CZ3 3.37Å; F185-W202 HydrophobicContact CB-CE3 4.13Å; K186-W202 WeakPolarHBondContact O-CA 3.43Å; K187-W202 HydrophobicContact CB-CE3 4.35Å; K187-W202 HydrophobicContact CB-CH2 4.24Å; K187-W202 HydrophobicContact CB-CZ2 4.46Å; K187-W202 HydrophobicContact CB-CZ3 4.17Å
203S97.4Very high86.6Confident15 Ų1575.8 Ų75.811%0.10541%0.411CS..EExtended strand (participates in β ladder)trans-131.3160.1174.2660000110.8F185 K186 V188F185-S203 WeakPolarHBondContact CA-O 3.31Å; K186-S203 WeakPolarHBondContact CG-OG 3.46Å; K186-S203 PolarHBondContact N-O 3.24Å; K186-S203 PolarHBondContact O-N 3.3Å; V188-S203 WeakPolarHBondContact CG2-OG 3.43Å
204I98.1Very high87.9Confident13 Ų1374.6 Ų74.67%0.06739%0.394CS..EExtended strand (participates in β ladder)trans-75.4136.1170.6-62.7149.6000108.5F137 I140 E141 F185 R209 L212F137-I204 HydrophobicContact CD2-CD1 3.41Å; F137-I204 VanDerWaalsContact CD2-CD1 3.41Å; F137-I204 HydrophobicContact CD2-CG1 3.83Å; F137-I204 HydrophobicContact CD2-CG2 4.17Å; F137-I204 HydrophobicContact CE2-CD1 3.65Å; F137-I204 HydrophobicContact CE2-CG1 4.37Å; F137-I204 HydrophobicContact CE2-CG2 4.27Å; F137-I204 HydrophobicContact CG-CD1 4.24Å; I140-I204 HydrophobicContact CB-CD1 3.95Å; I140-I204 HydrophobicContact CB-CG1 4.1Å; I140-I204 HydrophobicContact CG2-CD1 3.75Å; I140-I204 HydrophobicContact CG2-CG1 3.78Å; E141-I204 HydrophobicContact CB-CD1 4.27Å; F185-I204 HydrophobicContact CD1-CG1 4.43Å; F185-I204 HydrophobicContact CE1-CG1 4.34Å; I204-R209 HydrophobicContact CG2-CB 3.96Å; I204-R209 HydrophobicContact CG2-CG 4.24Å; I204-L212 HydrophobicContact CG2-CD1 3.82Å
205D97.3Very high89.2Confident26 Ų2670 Ų7014%0.13938%0.378CS..  trans-73.7127.3171.1-163.5-73.6000111.4C184 K186 E207 Y208 R209C184-D205 PolarHBondContact O-N 3.14Å; K186-D205 HydrophobicContact CD-CB 4.48Å; K186-D205 WeakPolarHBondContact CD-OD2 3.36Å; K186-D205 VanDerWaalsContact CE-OD2 3.29Å; K186-D205 WeakPolarHBondContact CE-OD2 3.26Å; K186-D205 IonicContact NZ-OD2 2.81Å; K186-D205 PolarHBondContact NZ-OD2 3.23Å; D205-E207 VanDerWaalsContact C-N 3.25Å; D205-E207 PolarHBondContact O-N 2.91Å; D205-E207 WeakPolarHBondContact OD1-CB 3.5Å; D205-E207 PolarHBondContact OD1-N 3.38Å; D205-Y208 HydrophobicContact CB-CD2 4.04Å; D205-Y208 PolarHBondContact O-N 3.03Å; D205-R209 WeakPolarHBondContact O-CB 3.44Å; D205-R209 PolarHBondContact O-N 3.28Å
206P96.4Very high90.8Very high94 Ų9468.3 Ų68.361%0.6136%0.364SS*.THydrogen-bonded Turntrans-54.3-33.8178.6-27.936.5000115R209P206-R209 WeakPolarHBondContact O-CB 3.39Å
207E97.1Very high92.1Very high153 Ų15368.2 Ų68.272%0.71536%0.357SS*.THydrogen-bonded Turntrans-68.3-41.6-179.9-63.5-174-177.400111.4D205D205-E207 VanDerWaalsContact C-N 3.25Å; D205-E207 PolarHBondContact O-N 2.91Å; D205-E207 WeakPolarHBondContact OD1-CB 3.5Å; D205-E207 PolarHBondContact OD1-N 3.38Å
208Y96Very high93.1Very high80 Ų8073.8 Ų73.831%0.31437%0.37SS..THydrogen-bonded Turntrans-89.3-14.7-177.4-61.3-60.4000113.7K183 D205 H210 N211 L212K183-Y208 HydrophobicContact CB-CD2 4.13Å; K183-Y208 HydrophobicContact CB-CE2 3.64Å; K183-Y208 WeakPolarHBondContact O-CD2 3.49Å; D205-Y208 HydrophobicContact CB-CD2 4.04Å; D205-Y208 PolarHBondContact O-N 3.03Å; Y208-H210 VanDerWaalsContact C-N 3.25Å; Y208-H210 PolarHBondContact O-N 3.18Å; Y208-H210 VanDerWaalsContact O-N 3.14Å; Y208-N211 WeakPolarHBondContact O-CB 3.45Å; Y208-N211 PolarHBondContact O-N 3.12Å; Y208-L212 PolarHBondContact O-N 3.06Å
209R96.4Very high93.3Very high80 Ų8067.2 Ų67.230%0.30235%0.345SS..Hα-helixtrans-43.9-45.3177.4-176.7-179.1-179.7744.2113.8F137 E141 I204 D205 P206 N211 L212 I213F137-R209 HydrophobicContact CE2-CG 4.37Å; E141-R209 IonicContact OE1-CZ 2.76Å; E141-R209 IonicContact OE1-NH1 3.12Å; E141-R209 IonicContact OE1-NH2 2.82Å; E141-R209 PolarHBondContact OE1-NH2 2.93Å; E141-R209 IonicContact OE2-CZ 2.63Å; E141-R209 IonicContact OE2-NH1 2.58Å; E141-R209 PolarHBondContact OE2-NH1 3.32Å; E141-R209 IonicContact OE2-NH2 2.87Å; E141-R209 PolarHBondContact OE2-NH2 3.34Å; I204-R209 HydrophobicContact CG2-CB 3.96Å; I204-R209 HydrophobicContact CG2-CG 4.24Å; D205-R209 WeakPolarHBondContact O-CB 3.44Å; D205-R209 PolarHBondContact O-N 3.28Å; P206-R209 WeakPolarHBondContact O-CB 3.39Å; R209-N211 VanDerWaalsContact C-N 3.31Å; R209-N211 PolarHBondContact O-N 3.16Å; R209-L212 PolarHBondContact O-N 3.24Å; R209-I213 HydrophobicContact CG-CD1 4.14Å; R209-I213 WeakPolarHBondContact O-CG1 3.38Å; R209-I213 PolarHBondContact O-N 3.22Å
210H96.3Very high92.5Very high114 Ų11468.5 Ų68.553%0.52834%0.344SS..Hα-helixtrans-63.7-35.4-178.8-174.678000112.8Y208 L212 I213 Q214Y208-H210 VanDerWaalsContact C-N 3.25Å; Y208-H210 PolarHBondContact O-N 3.18Å; Y208-H210 VanDerWaalsContact O-N 3.14Å; H210-L212 VanDerWaalsContact C-N 3.35Å; H210-L212 PolarHBondContact O-N 3.13Å; H210-I213 PolarHBondContact O-N 3.29Å; H210-Q214 PolarHBondContact CD2-NE2 3.39Å; H210-Q214 VanDerWaalsContact CD2-NE2 3.33Å; H210-Q214 PolarHBondContact NE2-NE2 3.14Å; H210-Q214 PolarHBondContact O-N 3.17Å
211N95.3Very high91.1Very high85 Ų8571 Ų7146%0.45535%0.348SS..Hα-helixtrans-69.2-34.6-179.5-56.8-50000111.7Y208 R209 Q214 A215Y208-N211 WeakPolarHBondContact O-CB 3.45Å; Y208-N211 PolarHBondContact O-N 3.12Å; R209-N211 VanDerWaalsContact C-N 3.31Å; R209-N211 PolarHBondContact O-N 3.16Å; N211-Q214 PolarHBondContact O-N 3.22Å; N211-A215 WeakPolarHBondContact O-CB 3.34Å; N211-A215 PolarHBondContact O-N 3.03Å
212L95.1Very high89.3Confident10 Ų1075.5 Ų75.55%0.05237%0.368CS..Hα-helixtrans-68.4-41.2175-60.3164.3000111F137 C184 F185 I204 Y208 R209 H210 Q214 A215 L216F137-L212 HydrophobicContact CB-CB 4.29Å; F137-L212 HydrophobicContact CB-CD1 4.25Å; F137-L212 HydrophobicContact CD1-CB 4.42Å; F137-L212 HydrophobicContact CD2-CB 3.48Å; F137-L212 VanDerWaalsContact CD2-CB 3.48Å; F137-L212 HydrophobicContact CD2-CD1 3.41Å; F137-L212 VanDerWaalsContact CD2-CD1 3.41Å; F137-L212 HydrophobicContact CD2-CG 4.03Å; F137-L212 HydrophobicContact CE2-CB 3.85Å; F137-L212 HydrophobicContact CE2-CD1 4.15Å; F137-L212 HydrophobicContact CG-CB 3.79Å; F137-L212 HydrophobicContact CG-CD1 4.14Å; F137-L212 HydrophobicContact CG-CG 4.47Å; F137-L212 HydrophobicContact CZ-CB 4.49Å; C184-L212 HydrophobicContact CB-CD1 3.93Å; C184-L212 HydrophobicContact CB-CD2 4.11Å; C184-L212 HydrophobicContact CB-CG 4.38Å; F185-L212 HydrophobicContact CE1-CD1 4.33Å; I204-L212 HydrophobicContact CG2-CD1 3.82Å; Y208-L212 PolarHBondContact O-N 3.06Å; R209-L212 PolarHBondContact O-N 3.24Å; H210-L212 VanDerWaalsContact C-N 3.35Å; H210-L212 PolarHBondContact O-N 3.13Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 2.97Å; L212-A215 WeakPolarHBondContact O-CB 3.39Å; L212-A215 PolarHBondContact O-N 3.36Å; L212-A215 VanDerWaalsContact O-N 3.16Å; L212-L216 PolarHBondContact O-N 3.5Å
213I95.1Very high87.3Confident57 Ų5776.7 Ų76.729%0.29238%0.381SS..Hα-helixtrans-62.6-40.2172.9-64.1167000111F137 R209 H210 K217F137-I213 HydrophobicContact CE1-CG1 4.28Å; F137-I213 HydrophobicContact CE2-CG1 4.29Å; F137-I213 HydrophobicContact CZ-CD1 4.33Å; F137-I213 HydrophobicContact CZ-CG1 3.59Å; R209-I213 HydrophobicContact CG-CD1 4.14Å; R209-I213 WeakPolarHBondContact O-CG1 3.38Å; R209-I213 PolarHBondContact O-N 3.22Å; H210-I213 PolarHBondContact O-N 3.29Å; I213-K217 WeakPolarHBondContact O-CG 3.28Å; I213-K217 PolarHBondContact O-N 3.09Å; I213-K217 VanDerWaalsContact O-N 3.17Å
214Q94.6Very high84.8Confident82 Ų8283.6 Ų83.638%0.38341%0.406SS..Hα-helixtrans-65-38.1172.4-73.3-166.616.400112.8H210 N211 L212 K217 K218H210-Q214 PolarHBondContact CD2-NE2 3.39Å; H210-Q214 VanDerWaalsContact CD2-NE2 3.33Å; H210-Q214 PolarHBondContact NE2-NE2 3.14Å; H210-Q214 PolarHBondContact O-N 3.17Å; N211-Q214 PolarHBondContact O-N 3.22Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 2.97Å; Q214-K217 PolarHBondContact O-N 2.84Å; Q214-K218 WeakPolarHBondContact O-CG 3.43Å; Q214-K218 PolarHBondContact O-N 2.73Å
215A91.9Very high82.1Confident36 Ų3687 Ų8730%0.29843%0.431SS..Hα-helixtrans-63.3-49.9178.700000111.1N211 L212 K217 K218 T219N211-A215 WeakPolarHBondContact O-CB 3.34Å; N211-A215 PolarHBondContact O-N 3.03Å; L212-A215 WeakPolarHBondContact O-CB 3.39Å; L212-A215 PolarHBondContact O-N 3.36Å; L212-A215 VanDerWaalsContact O-N 3.16Å; A215-K217 VanDerWaalsContact C-N 3.3Å; A215-K217 PolarHBondContact O-N 3.19Å; A215-K218 WeakPolarHBondContact O-CB 3.43Å; A215-K218 PolarHBondContact O-N 3.14Å; A215-T219 PolarHBondContact O-N 3.49Å; A215-T219 PolarHBondContact O-OG1 3.45Å
216L91.2Very high79.7Confident34 Ų3490.8 Ų90.818%0.17846%0.457CS..Hα-helixtrans-55.5-43.5174.3-74.5179.1000112.5Y130 C134 F137 M138 L212 K218 T219Y130-L216 HydrophobicContact CD1-CD2 3.84Å; Y130-L216 HydrophobicContact CE1-CD2 3.54Å; C134-L216 HydrophobicContact CB-CD2 3.74Å; F137-L216 HydrophobicContact CD1-CD1 3.56Å; F137-L216 HydrophobicContact CD1-CG 4.43Å; F137-L216 HydrophobicContact CE1-CD1 3.56Å; M138-L216 HydrophobicContact CE-CD2 4.3Å; M138-L216 HydrophobicContact CG-CD1 3.9Å; M138-L216 HydrophobicContact CG-CD2 4.07Å; M138-L216 HydrophobicContact SD-CD1 4.34Å; M138-L216 HydrophobicContact SD-CD2 3.73Å; L212-L216 PolarHBondContact O-N 3.5Å; L216-K218 PolarHBondContact O-N 3.42Å; L216-T219 CarbonylContact O-C 3.54Å; L216-T219 VanDerWaalsContact O-C 3.27Å; L216-T219 PolarHBondContact O-N 3.03Å; L216-T219 VanDerWaalsContact O-N 3.1Å; L216-T219 PolarHBondContact O-OG1 3.22Å
217K89.6Confident77.2Confident168 Ų16891.6 Ų91.673%0.7347%0.465SS*.Hα-helixtrans-66.2-19.8178.2-75-176.3176.5-169.20114.2I213 Q214 A215I213-K217 WeakPolarHBondContact O-CG 3.28Å; I213-K217 PolarHBondContact O-N 3.09Å; I213-K217 VanDerWaalsContact O-N 3.17Å; Q214-K217 PolarHBondContact O-N 2.84Å; A215-K217 VanDerWaalsContact C-N 3.3Å; A215-K217 PolarHBondContact O-N 3.19Å
218K87Confident74.6Confident158 Ų15892.1 Ų92.169%0.68747%0.472SS*.Hα-helixtrans-85.3-17.5173.7-72170.3-179173.50112.9Q214 A215 L216 P220Q214-K218 WeakPolarHBondContact O-CG 3.43Å; Q214-K218 PolarHBondContact O-N 2.73Å; A215-K218 WeakPolarHBondContact O-CB 3.43Å; A215-K218 PolarHBondContact O-N 3.14Å; L216-K218 PolarHBondContact O-N 3.42Å; K218-P220 WeakPolarHBondContact O-CD 3.26Å
219T78.2Confident72Confident49 Ų4992.3 Ų92.330%0.30149%0.49SS..SBendtrans-119.568.5176580000110.2Y130 A215 L216 Y221Y130-T219 WeakPolarHBondContact CE1-O 3.4Å; A215-T219 PolarHBondContact O-N 3.49Å; A215-T219 PolarHBondContact O-OG1 3.45Å; L216-T219 CarbonylContact O-C 3.54Å; L216-T219 VanDerWaalsContact O-C 3.27Å; L216-T219 PolarHBondContact O-N 3.03Å; L216-T219 VanDerWaalsContact O-N 3.1Å; L216-T219 PolarHBondContact O-OG1 3.22Å; T219-Y221 PolarHBondContact O-N 3.31Å
220P67.2Low69.3Low79 Ų7994.5 Ų94.551%0.51351%0.513SS..  trans-61.6122.5174.727.5-34.3000109.7K218 H222K218-P220 WeakPolarHBondContact O-CD 3.26Å; P220-H222 PolarHBondContact O-CD2 3.4Å; P220-H222 PolarHBondContact O-N 3.38Å
221Y61.9Low66.7Low95 Ų9594.7 Ų94.737%0.37352%0.524SS..  trans-77.1108.4177.3175-118.3000109.7P129 Y130 T219 P223P129-Y221 HydrophobicContact CG-CD2 3.84Å; Y130-Y221 HydrophobicContact CE2-CD2 4.5Å; Y130-Y221 HydrophobicContact CE2-CG 4.24Å; Y130-Y221 WeakPolarHBondContact OH-CB 3.24Å; T219-Y221 PolarHBondContact O-N 3.31Å; Y221-P223 HydrophobicContact CD1-CG 4.41Å; Y221-P223 HydrophobicContact CE1-CB 3.81Å; Y221-P223 HydrophobicContact CE1-CG 4.04Å; Y221-P223 WeakPolarHBondContact O-CD 3.47Å
222H56.3Low64.1Low117 Ų11795.1 Ų95.154%0.54253%0.534SS..  trans-99.494.1167.8-65.7-80000108.1P220 Y224 S225P220-H222 PolarHBondContact O-CD2 3.4Å; P220-H222 PolarHBondContact O-N 3.38Å; H222-Y224 PolarHBondContact O-N 3.27Å; H222-S225 PolarHBondContact O-N 2.91Å; H222-S225 PolarHBondContact O-OG 3.44Å
223P54Low61.5Low65 Ų65101.7 Ų101.742%0.42257%0.574SS.*SBendtrans-57.5-30.2174.521.8-31.4000111.2Y221Y221-P223 HydrophobicContact CD1-CG 4.41Å; Y221-P223 HydrophobicContact CE1-CB 3.81Å; Y221-P223 HydrophobicContact CE1-CG 4.04Å; Y221-P223 WeakPolarHBondContact O-CD 3.47Å
224Y46.6Very low59Low161 Ų161102.7 Ų102.763%0.63159%0.586SS**  trans-102.573.8170.4-48.1-70.7000110L120 H222 P226L120-Y224 HydrophobicContact CD1-CE1 3.84Å; L120-Y224 WeakPolarHBondContact CD2-OH 3.48Å; L120-Y224 HydrophobicContact CG-CE1 4.02Å; H222-Y224 PolarHBondContact O-N 3.27Å; Y224-P226 WeakPolarHBondContact O-CD 3.17Å
225S41.6Very low56.9Low83 Ų83104.3 Ų104.358%0.5860%0.604SS**  trans-104.791162.436.30000108.5H222 S227H222-S225 PolarHBondContact O-N 2.91Å; H222-S225 PolarHBondContact O-OG 3.44Å; S225-S227 PolarHBondContact O-N 3.13Å
226P46.8Very low54.6Low106 Ų106108.8 Ų108.869%0.68863%0.63SS**  trans-56.9142.6166.326.9-34000108Y224 L228Y224-P226 WeakPolarHBondContact O-CD 3.17Å; P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 3.31Å
227S42.3Very low52.3Low112 Ų112112.7 Ų112.778%0.78366%0.66SS**  trans-68.385.6-172.5179.60000111.4S225 A229S225-S227 PolarHBondContact O-N 3.13Å; S227-A229 PolarHBondContact O-N 3.19Å
228L44Very low50Low163 Ų163112.5 Ų112.585%0.85367%0.666SS**  trans-56.9109.8164-70.1-179.6000107.4P226 T230P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 3.31Å; L228-T230 PolarHBondContact O-N 3.45Å
229A41.1Very low48.2Very low85 Ų85110.2 Ų110.270%0.70267%0.668SS**PPolyproline II helixtrans-54.4134.2-176.200000109.8S227 P231S227-A229 PolarHBondContact O-N 3.19Å; A229-P231 VanDerWaalsContact O-N 3.16Å
230T39.9Very low46.3Very low126 Ų126116.6 Ų116.677%0.77369%0.694SS**PPolyproline II helixtrans-52.6123172.448.40000108.7L228 S232L228-T230 PolarHBondContact O-N 3.45Å; T230-S232 PolarHBondContact O-N 3.1Å
231P41.3Very low45Very low118 Ų118117.9 Ų117.977%0.76670%0.7SS**PPolyproline II helixtrans-59.5118.4176.324.3-32.6000108.1A229 T233A229-P231 VanDerWaalsContact O-N 3.16Å; P231-T233 PolarHBondContact O-N 3.38Å
232S39.8Very low43.9Very low94 Ų94121.8 Ų121.866%0.65772%0.72SS**  trans-66.1108.7-176.6-179.40000109.3T230 S234T230-S232 PolarHBondContact O-N 3.1Å; S232-S234 PolarHBondContact O-N 3.5Å; S232-S234 PolarHBondContact OG-OG 3.26Å
233T41.2Very low43Very low147 Ų147123 Ų12390%0.90273%0.725SS**  trans-74.264.8173.5-51.90000110.1P231P231-T233 PolarHBondContact O-N 3.38Å
234S42.5Very low42.2Very low78 Ų78127.6 Ų127.655%0.54574%0.741SS.*  trans-116.9111.116744.50000106.8S232S232-S234 PolarHBondContact O-N 3.5Å; S232-S234 PolarHBondContact OG-OG 3.26Å
235P51.1Low41.8Very low116 Ų116125.1 Ų125.175%0.75375%0.747SS**  trans-68.8133.3-174.127.2-33.5000110.4S237P235-S237 PolarHBondContact O-N 3.1Å; P235-S237 VanDerWaalsContact O-N 3.16Å
236P43.8Very low42.2Very low131 Ų131126.8 Ų126.885%0.85176%0.756SS**  trans-69.9113.5179.527.8-33.7000110.6L238P236-L238 PolarHBondContact O-N 2.85Å
237S43Very low42.3Very low115 Ų115127 Ų12780%0.80476%0.757SS**  trans-81.1102.8174.157.20000111P235P235-S237 PolarHBondContact O-N 3.1Å; P235-S237 VanDerWaalsContact O-N 3.16Å
238L39.4Very low42.4Very low165 Ų165129.9 Ų129.986%0.86476%0.763SS**  trans-130.1142.6161.2-12688.2000109.4P236P236-L238 PolarHBondContact O-N 2.85Å
239P51.1Low42.2Very low110 Ų110133.7 Ų133.771%0.71477%0.766SS**  trans-87.6141.7-172.534.1-32.4000111.6
240Q36.8Very low42Very low182 Ų182135.5 Ų135.585%0.8577%0.774SS**  trans-140.1153.1150-89.3-52.9-17.900112.2
241T39.7Very low42Very low106 Ų106132.6 Ų132.665%0.6577%0.768SS**  trans-107145.5-173.4530000112.3
242F39.7Very low41.8Very low177 Ų177132.7 Ų132.778%0.77677%0.772SS**  trans73.4140.7154.1-74.7-62.4000122.7
243H37Very low42.3Very low143 Ų143134 Ų13466%0.66278%0.779SS**  trans76.193.6150.6-66-51.5000122.8
244H37.1Very low42.5Very low161 Ų161135 Ų13575%0.74578%0.777SS**  trans83.5135.2130.2-63.6-59.2000123.4
245S38.1Very low42.5Very low109 Ų109141 Ų14176%0.76279%0.794SS**  trans76.9109.1152.7-59.40000119.9
246P50.6Low42.1Very low119 Ų119146.8 Ų146.877%0.77380%0.801SS**PPolyproline II helixtrans-90146.8164.535.8-31.9000112.3
247P49.3Very low41.9Very low109 Ų109150.4 Ų150.471%0.70880%0.803SS**PPolyproline II helixtrans-78.5139.9171.131.5-33.3000111.9W249P247-W249 PolarHBondContact O-N 2.93Å
248L43.2Very low41.6Very low173 Ų173152.5 Ų152.591%0.90681%0.805SS**PPolyproline II helixtrans-63.2131.8170.3-105.272.6000110.9
249W40.3Very low41.4Very low243 Ų243148.4 Ų148.492%0.9280%0.803SS**  trans-109.1131.2155.2-85.372.4000109.4P247P247-W249 PolarHBondContact O-N 2.93Å
250S37.8Very low40.6Very low124 Ų124147.1 Ų147.187%0.86781%0.81SS**  trans-92145.5-175.3-173.30000111.4
251G39.1Very low40.5Very low64 Ų64145 Ų14566%0.6681%0.809SS**  trans100.771.9160.300000117
252S37.6Very low40.2Very low121 Ų121147 Ų14785%0.84682%0.815SS**  trans-159.2110.4144.3-85.50000111.2
253P49.8Very low40.3Very low122 Ų122145.8 Ų145.879%0.79282%0.816SS**  trans-87.5115.6174.432.6-29.2000110.3
254L46.4Very low40.1Very low166 Ų166146.6 Ų146.687%0.86982%0.82SS**  trans-179.395.4152.1-103.9164.5000111.2
255F41.8Very low40Very low206 Ų206144.9 Ų144.990%0.90482%0.82SS**  trans-169.2109.4132.4-114.5-72.3000110.1
256R42.2Very low40.5Very low236 Ų236144.2 Ų144.289%0.89181%0.813SS**  trans-77.1131.1161.6-85.9-173.8170.7-166.5-1.9108.3
257K40.1Very low39.8Very low208 Ų208150.5 Ų150.590%0.90482%0.822SS**  trans-121.8142.5157.4-161.9173.5-179.1178.60108.1
258N36.1Very low39.1Very low158 Ų158148.5 Ų148.585%0.84582%0.821SS**  trans-84.6142.3-159.3-55.9-22000113.1
259G36.7Very low38.8Very low79 Ų79146.3 Ų146.381%0.81482%0.815SS**  trans160.214516400000114.2
260G34.1Very low38.6Very low83 Ų83141.5 Ų141.586%0.85681%0.805SS**  trans89.5101.2163.300000116.8
261V34.2Very low38.5Very low138 Ų138142.9 Ų142.984%0.83680%0.798SS**  trans-89.1137.6166.5170.10000109.6
262L33.8Very low38.2Very low149 Ų149146.6 Ų146.678%0.7880%0.803SS**  trans-174.2145.9135.7-104.1164.4000112.9
263L40.9Very low38.1Very low150 Ų150144.6 Ų144.679%0.78580%0.801SS**  trans60.3144.4163.6-58.3170.6000119.5
264Q32.8Very low37.3Very low160 Ų160143.3 Ų143.375%0.74880%0.801SS**  -178.6137.6-56.1159162.4-23.300108.4
265V35.9Very low37.2Very low125 Ų125147 Ų14776%0.75880%0.803SS**  trans71.5145.9161.5139.20000117.5
266P48.3Very low36.9Very low95 Ų95143.6 Ų143.662%0.61780%0.799SS**  cis-141173.2-23.242.1-25.8000116.7
267R34.8Very low36.6Very low251 Ų251143.5 Ų143.595%0.94780%0.799SS**  trans47.5147.3137.6-74.9173.6165.2172.6-5.7122.9
268G35.7Very low36.5Very low67 Ų67139 Ų13969%0.69179%0.794SS**  trans110.684.7146.800000114.1
269V36.1Very low36.6Very low128 Ų128140.4 Ų140.478%0.77680%0.795SS**  76.295.271.1179.20000114.2
270I37.4Very low36.2Very low142 Ų142140.9 Ų140.973%0.72879%0.792SS**  trans26.5124.7136.6-16.1168.2000118.9
271Q35Very low36.6Very low152 Ų152144.5 Ų144.571%0.7179%0.79SS**  171136.9105.5-95179.589.500117
272N33.3Very low36.8Very low143 Ų143146.2 Ų146.277%0.76579%0.787SS**  trans59.9157139.6-50.2-14.3000121.4
273G34.8Very low37.6Very low79 Ų79145 Ų14581%0.81479%0.788SS**  trans159.881169.700000113.5
274A33.2Very low37.2Very low95 Ų95143.3 Ų143.379%0.78578%0.783SS**  trans-84.6140.1-177.600000113.4
275R43.7Very low37.7Very low242 Ų242143.7 Ų143.791%0.91379%0.789SS**  trans2.9115.2151.3176-173.2-85.7-173.8-7.1116.3
276V36Very low38.1Very low136 Ų136149 Ų14982%0.82480%0.795SS**  trans-123.7143.7160.6173.60000109.7
277R36.7Very low38.1Very low233 Ų233150 Ų15088%0.87980%0.802SS**  trans-92.3146.6172.4-81.3171.4150.9176.5-7.5110.5
278S36.2Very low38.2Very low115 Ų115145.9 Ų145.980%0.80480%0.798SS**  -175.1169.2126.445.40000111.5
279Q38.4Very low38.8Very low186 Ų186148.4 Ų148.487%0.86980%0.802SS**  trans-96.2150.9-178.3-46.5109.8-77.700112.2
280A29.2Very low39.1Very low89 Ų89148.4 Ų148.474%0.73680%0.802SS**  trans-177.3126.6136.600000114.7
281L41.7Very low39.2Very low159 Ų159146.7 Ų146.783%0.83280%0.803SS**  trans62.4161.3135.9-60.6170.9000122.8
282F38.8Very low40Very low175 Ų175144.5 Ų144.577%0.76880%0.802SS**  trans-80.8166.2-163.8-53.6-92.9000115V284F282-V284 HydrophobicContact CB-CG2 4.14Å
283P50.2Low40.2Very low122 Ų122144.9 Ų144.979%0.79281%0.809SS**  -119.6149.48536.8-34000112.4
284V32.8Very low40.2Very low115 Ų115144.3 Ų144.370%0.69780%0.803SS**  cis72.997.646.9-177.80000113.9F282F282-V284 HydrophobicContact CB-CG2 4.14Å
285I43.3Very low40.4Very low169 Ų169145.4 Ų145.487%0.86781%0.805SS**  trans-158.6159.4139.7-99.6153.4000107.6
286R44.2Very low40.2Very low236 Ų236145.7 Ų145.789%0.89181%0.806SS**  trans-101.6143.4-153.9-53.5172.1-177.2126.4-2.9114.6
287P48.4Very low40.4Very low117 Ų117145.2 Ų145.276%0.7680%0.803SS**  trans-116.1118.9161.735.2-23.4000112.9
288L37.8Very low40.3Very low164 Ų164139.5 Ų139.586%0.85980%0.799SS**  trans-164.8163.3169.2-85.8-167.8000110
289P47.4Very low40.2Very low119 Ų119138.5 Ų138.577%0.77380%0.798SS**  cis-120.7-173-9.136.7-20000113.3
290V42Very low40.3Very low129 Ų129137.6 Ų137.678%0.78280%0.798SS**  trans-123.5161.2-173.3-151.60000111.4
291S39.7Very low40.5Very low106 Ų106144.5 Ų144.574%0.74181%0.805SS**  trans81.1169.1143.984.50000117.6
292P52.7Low40.3Very low106 Ų106142.2 Ų142.269%0.68880%0.802SS**  cis-139.7-178.36.344.4-27.5000117.6
293V36.4Very low40Very low150 Ų150138.9 Ų138.991%0.90980%0.8SS**  trans70.8137.1155.3161.20000117.7
294G35.2Very low39.3Very low67 Ų67141.3 Ų141.369%0.69181%0.806SS**  cis-175.8-179.7-3.100000115.2
295S37.4Very low39.4Very low118 Ų118138.6 Ų138.683%0.82580%0.8SS**  trans-71.8153.7-166.6-40.20000115.5
296R39.7Very low38.9Very low248 Ų248137.3 Ų137.394%0.93680%0.795SS**  trans-155.2149.4135.7-111.4159.4-168.4-154.3-0.7112.9
297T39.9Very low38.4Very low126 Ų126137.6 Ų137.677%0.77380%0.798SS**  trans-121.1-168.4-176.848.90000109.9
298S34.6Very low37.8Very low113 Ų113139.6 Ų139.679%0.7980%0.802SS**  trans89.2127.1177.9-48.80000114.1
299A35.2Very low37.7Very low95 Ų95136.9 Ų136.979%0.78580%0.796SS**  cis102.1112.716.900000115.9
300I40Very low36.9Very low167 Ų167141.8 Ų141.886%0.85680%0.799SS**  trans30120.7147-52.2174.2000118.8
301R33.8Very low36.2Very low234 Ų234138.9 Ų138.988%0.88380%0.795SS**  trans-161.1165133.5-119.4169.1175.2-90.8-2.7113.6
302S37Very low35.8Very low111 Ų111142.1 Ų142.178%0.77680%0.796SS**  trans-141.6140.6-179.4178.90000111.2
303S33.6Very low34.8Very low104 Ų104143.1 Ų143.173%0.72780%0.796SS**  trans179.4121168.148.10000106.4
304L35.5Very low34.8Very low174 Ų174141.2 Ų141.291%0.91179%0.789SS**  cis83.311944-170.569000113.7
305G33.1Very low35.2Very low57 Ų57143.7 Ų143.759%0.58879%0.793SS**  trans80.7153.2166.800000116.6
306D34.2Very low34.8Very low142 Ų142143 Ų14376%0.75979%0.789SS**  cis-168.8146-16.3-103.4-48.5000109
307Y32.6Very low34.4Very low243 Ų243135.8 Ų135.895%0.95378%0.775SS**  trans-163.6126.2151.6-100.4-67000111.9
308L36.3Very low33.9Very low159 Ų159140 Ų14083%0.83278%0.778SS**  trans-85.7167.6176.7-60145.3000109.8
309S34.8Very low34.1Very low106 Ų106140 Ų14074%0.74178%0.778SS**  cis-175174.844.5-104.10000109.9
310R30.5Very low34.4Very low222 Ų222140.5 Ų140.584%0.83877%0.774SS**  cis172.996.3-23174-172.1150.6-78.29.5111
311G27.9Very low34.1Very low68 Ų68139.2 Ų139.270%0.70177%0.767SS**  trans-177.6132.4170.300000111.8
312K32.5Very low34.4Very low175 Ų175134.2 Ų134.276%0.76177%0.765SS**  77.5131.563.7-83-175135.4-72.80112.3
313D30.7Very low34Very low126 Ų126134.7 Ų134.767%0.67477%0.766SS**  cis-143174.212.3-95.9-49.8000113.8
314S36.7Very low33.9Very low110 Ų110132.6 Ų132.677%0.76976%0.762SS**  trans-84.5169.5174.7-450000112.9
315P42.9Very low33.6Very low119 Ų119133.5 Ų133.577%0.77376%0.761SS**  -144.2173.983.446.6-30.9000112.1
316S30.4Very low33.6Very low105 Ų105137 Ų13773%0.73477%0.766SS**  cis70.5132.631.2-152.20000113.2
317C30.8Very low33.8Very low96 Ų96136.6 Ų136.665%0.64976%0.764SS**  cis-160.1-157.9-1247.40000108.4
318Y28.6Very low33.9Very low214 Ų214131.9 Ų131.984%0.83975%0.75SS**  trans79.4113.1176.3-74.1-88.3000119.9
319S40.2Very low33.9Very low113 Ų113130.5 Ų130.579%0.7974%0.744SS**  trans-88.8157.5136.3-500000109.1
320P39.6Very low33.9Very low106 Ų106130.5 Ų130.569%0.68874%0.735SS**  -145150.4125.736-21.6000115.8
321I34Very low34.9Very low139 Ų139127.5 Ų127.571%0.71373%0.731SS**  trans44.5121.7139.7-56.2167.8000119.6
322P40.9Very low35.5Very low130 Ų130129.7 Ų129.784%0.84473%0.731SS**  trans-92.3111.3153.734-26.8000112.1
323C28.9Very low35.5Very low120 Ų120131.9 Ų131.981%0.81174%0.735SS**  trans-119.6150.2149.1-58.50000105.8
324G30Very low35.8Very low61 Ų61129.8 Ų129.863%0.62973%0.731SS**  cis153.8155.9500000107.5
325E30.5Very low35.6Very low193 Ų193130.7 Ų130.790%0.90273%0.732SS**  trans65149.7174.2-77.8164.3104.800115.9
326D32.8Very low35.2Very low129 Ų129128.9 Ų128.969%0.6973%0.727SS**  cis-158.5-158.4-16.4-161.4-108.9000110.2
327L37.5Very low35.1Very low135 Ų135133.4 Ų133.471%0.70773%0.734SS**  trans79.7104.4-179.6-78.867.8000115.7
328Q34.9Very low35.4Very low143 Ų143134 Ų13467%0.66874%0.738SS**  80.1142.476-77.4-165.7-63.700112.6
329D37.3Very low36.4Very low130 Ų130128.9 Ų128.970%0.69573%0.732SS**  cis-165.7163.5-8.7-106-5.9000106.9
330D33.6Very low36.2Very low106 Ų106128.6 Ų128.657%0.56773%0.73SS**  cis-161.5-168.5-12.6170.941.4000106.2
331H52.4Low36Very low160 Ų160128.2 Ų128.274%0.74173%0.73SS**  trans99.1106.7162.9-47.8-21.6000113.4
332T39.8Very low35.8Very low114 Ų114129.3 Ų129.370%0.69974%0.736SS**  65.3122.551-54.80000110.6
333Y32.3Very low35.3Very low220 Ų220128.5 Ų128.586%0.86373%0.733SS**  cis-138.3177.139.4-171.3-106.2000114.4
334S37.7Very low36.9Very low83 Ų83128.8 Ų128.858%0.5873%0.734SS**  trans-143.8173.2-165.9177.10000113.3
335T33.4Very low37Very low128 Ų128130.9 Ų130.979%0.78574%0.739SS**  trans74.8141.8161.8-56.30000114
336A32.8Very low37.2Very low82 Ų82129.5 Ų129.568%0.67873%0.732SS**  cis-147.9-168.220.800000111
337K29.5Very low37.3Very low200 Ų200130.1 Ų130.187%0.8773%0.734SS**  cis-161.5172.4-1.1-144.6164.2-176.4173.20111.2
338S35.9Very low37.1Very low107 Ų107129.2 Ų129.275%0.74873%0.734SS**  trans-97.8-171.5161.1-30.70000110.3
339P51Low37.1Very low108 Ų108129.7 Ų129.770%0.70174%0.741SS**  cis-153.3175.139.542-19.2000120
340S35.6Very low37.8Very low107 Ų107128.6 Ų128.675%0.74874%0.741SS**  trans54.3155.5141.759.60000121.9
341S34.8Very low37.7Very low98 Ų98128.9 Ų128.969%0.68575%0.752SS**  cis-166.4165.6-6.741.60000108.7
342L30.9Very low36.7Very low161 Ų161126 Ų12684%0.84375%0.75SS**  179.6176.292.3-92.3172.7000111.4
343S29Very low36.3Very low113 Ų113124.5 Ų124.579%0.7975%0.749SS**  trans-138.5-128.9-171.1-57.40000116.4
344P63.5Low36.5Very low126 Ų126121.4 Ų121.482%0.81875%0.746SS**  -133.9-158.4-11343-23.3000115.8
345S32.7Very low36.4Very low105 Ų105124.7 Ų124.773%0.73475%0.753SS**  trans-145.9-135.1169.866.40000114.7
346E34Very low36.7Very low164 Ų164125.9 Ų125.977%0.76675%0.754SS**  -158.2158.3-128.1-89.2162.1107.400113.4
347I35.7Very low36.9Very low142 Ų142128.4 Ų128.473%0.72876%0.756SS**  cis-164.4-154.2-10.3-148.4171.5000110
348T31.7Very low37.1Very low116 Ų116125.9 Ų125.971%0.71275%0.753SS**  trans97158.1156.81.10000121.7
349N35.7Very low37.1Very low153 Ų153127 Ų12782%0.81875%0.749SS**  trans-171.9-165.3-179.3-93.1-42.2000106.2
350P50.9Low36.3Very low107 Ų107129.1 Ų129.170%0.69575%0.752SS**  cis-138.6-175.2-3.943.9-25.6000116.9
351S32.1Very low36Very low112 Ų112128.1 Ų128.178%0.78375%0.751SS**  trans64161.6145.8-74.10000122.2
352S32Very low35.9Very low101 Ų101129 Ų12971%0.70675%0.752SS**  cis-178.8161.1-2456.90000112.3
353A32Very low35.9Very low82 Ų82129.1 Ų129.168%0.67875%0.748SS**  trans79.5128152.400000118.7
354L36.7Very low36.2Very low154 Ų154130 Ų13081%0.80674%0.742SS**  99.3143.179.6-82.4-170.5000112.2
355E34.5Very low34.6Very low153 Ų153131.8 Ų131.872%0.71574%0.74SS**  cis-149.9169.24.2-49.4-167.3104.900112.4
356D39.3Very low34.7Very low152 Ų152130.8 Ų130.881%0.81373%0.733SS**  trans53.5153.8154.5-52.3-27.8000124.1
357D36.7Very low34.5Very low135 Ų135129.7 Ų129.772%0.72273%0.732SS**  cis-127.6-124.1-3.4-160.9-13.3000111.9
358D35.1Very low34.3Very low148 Ų148128.6 Ų128.679%0.79173%0.732SS**  cis-154.5168.45.7-17614.9000110.1
359I34.3Very low34.3Very low131 Ų131132.2 Ų132.267%0.67274%0.738SS**  trans-135.1164.8-158.2-49.7-178.2000116.4
360I34.7Very low35Very low151 Ų151129.8 Ų129.877%0.77473%0.73SS**  trans111.4103.9158.6-57.6170.2000113.1
361A30.5Very low34Very low86 Ų86132.9 Ų132.971%0.71174%0.735SS**  76.9155.365.300000113.9
362V31.9Very low35.1Very low117 Ų117131.1 Ų131.171%0.70972%0.722SS**  cis-154.9168.212.1-132.60000110.7
363E31.1Very low35.2Very low163 Ų163136 Ų13676%0.76272%0.724SS**  trans50.5162.9144.9-73.6-176.9120.800123.1
364I35.1Very low35.2Very low132 Ų132139.8 Ų139.868%0.67773%0.728SS**  cis-167.7-175.3-34.9-146.5170.1000108.7
365Q30.5Very low35.3Very low163 Ų163140.3 Ų140.376%0.76273%0.73SS**  trans88.4170.4161.4-131.562.177.100120.2
366S34.1Very low36.1Very low84 Ų84138.1 Ų138.159%0.58773%0.729SS**  trans-161.8146.5-142.755.20000113.2
367D29.1Very low36Very low142 Ų142138.4 Ų138.476%0.75973%0.73SS**  trans-166.6147.4145-121.1-94.9000107.5
368V31.7Very low35.7Very low119 Ų119138.4 Ų138.472%0.72173%0.73SS**  cis75.6139.627.9-178.70000110.8
369K33.2Very low35.8Very low192 Ų192135.2 Ų135.284%0.83572%0.719SS**  cis-136.9-175.915.2-118.6-142175.5172.80112.4
370P49.3Very low35.9Very low101 Ų101137.7 Ų137.766%0.65673%0.727SS**  trans-133.9-164.1-162.343.8-27.7000117.7
371E30.8Very low35.9Very low172 Ų172138 Ų13880%0.80473%0.729SS**  trans75.9174.2145.5-80.9-111.2116.300119.8
372P54.9Low36Very low76 Ų76138.6 Ų138.649%0.49473%0.734SS.*  -146.1-158-53.241.5-21.5000116.3
373R33.8Very low35.9Very low203 Ų203139.7 Ų139.777%0.76674%0.741SS**  trans92.7151.2159.5-53.7-146.9166.598.311.7119.6
374E31.2Very low35.9Very low161 Ų161136.3 Ų136.375%0.75274%0.741SS**  cis-162.1173.5-29.8-111.7162.5-124.800108.5
375I39.2Very low35.6Very low165 Ų165134.5 Ų134.585%0.84675%0.746SS**  trans-140.2126-165.6-64.8157.8000112.7
376P51.3Low35.6Very low107 Ų107131.6 Ų131.670%0.69575%0.75SS**  -155.6153128.637.8-20000118.5
377L36.9Very low35.4Very low158 Ų158132.3 Ų132.383%0.82776%0.76SS**  trans63.9161.1150.7-67.6160.1000119
378D29.9Very low35.5Very low136 Ų136130.5 Ų130.573%0.72777%0.765SS**  cis-139-162.68.7-150.3-39.5000112.2
379S37.3Very low35.6Very low80 Ų80129.2 Ų129.256%0.55977%0.767SS**  trans-108167.3-167.559.80000114
380H38.1Very low35.4Very low183 Ų183130.3 Ų130.385%0.84777%0.768SS**  175.3165.7129.5-93-54000115.2
381I33.6Very low34.9Very low158 Ų158132.5 Ų132.581%0.8177%0.772SS**  trans-99.3145.6-171.7-62.1153000110.9
382A33.4Very low35Very low99 Ų99128.5 Ų128.582%0.81876%0.763SS**  trans-162.2155.3149.900000114.3
383T29.9Very low34.1Very low139 Ų139133.3 Ų133.385%0.85378%0.779SS**  trans-139.4127.8174.4-66.10000109.9
384A30.9Very low34.6Very low92 Ų92132.6 Ų132.676%0.7678%0.784SS**  trans177.1148.1155.600000108.5
385A28.6Very low35.7Very low94 Ų94130.7 Ų130.778%0.77779%0.786SS**  cis93.9104.914.800000117.2
386A30.2Very low36.6Very low103 Ų103127.7 Ų127.785%0.85178%0.777SS**  trans79134150.400000122.8
387A29.7Very low35.9Very low98 Ų98133.5 Ų133.581%0.8179%0.785SS**  120.8149129.900000119.2
388A30.8Very low35.8Very low104 Ų104129.1 Ų129.186%0.8678%0.779SS**  trans65.8148171.400000117.7
389A34.3Very low36.1Very low92 Ų92130.3 Ų130.376%0.7678%0.78SS**  cis-157.9132.4-15.900000107.8
390Y29.8Very low35.8Very low216 Ų216135.4 Ų135.485%0.84779%0.787SS**  81.7146.189.5-159.5-124.9000115.5
391I37.7Very low35.7Very low146 Ų146136.2 Ų136.275%0.74978%0.782SS**  trans75.3145.4174.4-50.9-173.6000116.8
392S33Very low35.7Very low88 Ų88133.9 Ų133.962%0.61578%0.78SS**  cis-173.3157.5-35.4-163.50000112.1
393Q36.7Very low35.7Very low177 Ų177134.1 Ų134.183%0.82778%0.776SS**  trans63122.9154.8-77.3165.8122.200122.9
394Q44.2Very low35.8Very low188 Ų188132.1 Ų132.188%0.87977%0.774SS**  trans-94.7145.9142.6-70.5179.8-17.300110.7
395P53.9Low36Very low121 Ų121133 Ų13379%0.78678%0.78SS**  trans-107.3168.1168.235.3-24.9000113.6
396P58.1Low36.1Very low102 Ų102131.9 Ų131.966%0.66278%0.779SS**  -146.4-164.7-122.440.9-18.9000117.9
397R37.2Very low36.2Very low229 Ų229132.5 Ų132.586%0.86478%0.783SS**  trans79.8147159.7-62.4159.8-179.8-178.80.9117.7
398G33.8Very low36.2Very low67 Ų67131 Ų13169%0.69178%0.778SS**  cis150.6177.1-13.300000115.6
399Q35.9Very low36.4Very low160 Ų160133 Ų13375%0.74878%0.78SS**  trans73.1154.2166.2-52.8-162.633.900117.4
400R32.6Very low36.5Very low187 Ų187136 Ų13671%0.70678%0.782SS**  cis-163.3137.3-18.2-114.1-175.4169.8-172.5-3.6112
401R34.7Very low37.5Very low200 Ų200131.6 Ų131.676%0.75578%0.78SS**  trans51149.7137.4-66.7178.6165-160.2-5.2124.2
402S34.4Very low37.2Very low110 Ų110127.8 Ų127.877%0.76978%0.777SS**  trans70.4151.1146.7320000119.2
403S33.1Very low37.2Very low104 Ų104129.6 Ų129.673%0.72779%0.789SS**  cis-168.2142.7-7.241.40000114.3
404A33Very low36.9Very low97 Ų97126.2 Ų126.280%0.80279%0.785SS**  trans67.6160.2131.700000123.7
405A33.9Very low36.7Very low109 Ų109124.9 Ų124.990%0.90178%0.783SS**  trans65.415517700000117.5
406G30.7Very low36.7Very low72 Ų72124.1 Ų124.174%0.74278%0.778SS**  cis157.199.1-15.100000116.4
407A33.1Very low35.4Very low115 Ų115131 Ų13195%0.9579%0.791SS**  trans61.5152.4160.800000121
408G30.1Very low35.5Very low68 Ų68124.6 Ų124.670%0.70178%0.778SS**  trans124.592.3144.300000121.1
409T33.2Very low35.6Very low145 Ų145130.4 Ų130.489%0.8978%0.784SS**  trans76160.3132-46.80000121.2
410L36.4Very low35.5Very low156 Ų156128.3 Ų128.382%0.81779%0.787SS**  trans-103.8-166.7-172.5-60.2167.8000111.3
411P52.4Low35.6Very low123 Ų123130.6 Ų130.680%0.79980%0.796SS**  cis-133173.5-38.425.3-4.4000114.8
412G30.5Very low35.6Very low66 Ų66125.5 Ų125.568%0.6880%0.796SS**  115.1136.8125.700000121.9
413S32.3Very low35.8Very low126 Ų126132.5 Ų132.588%0.88181%0.806SS**  trans68.5158.5166.980.70000117.2
414S32Very low35.7Very low105 Ų105130.5 Ų130.573%0.73480%0.802SS**  cis-140.7-177.99.5660000113.2
415L39.5Very low35.7Very low161 Ų161134 Ų13484%0.84381%0.805SS**  trans-109.2-134.5-175.4-75.576.4000113
416P53.7Low35.8Very low105 Ų105133.5 Ų133.568%0.68280%0.795SS**  -129.7-179.8-109.142-25.3000116.3T418P416-T418 HydrophobicContact CG-CG2 4.42Å
417W31.9Very low36Very low245 Ų245136.7 Ų136.793%0.92880%0.795SS**  trans-93.5159.3159.3152.5-84.6000111.1
418T38.6Very low36.4Very low95 Ų95138.3 Ų138.358%0.58379%0.793SS**  trans-142.2-175.5-159.966.50000115.7P416P416-T418 HydrophobicContact CG-CG2 4.42Å
419K35.5Very low36.8Very low189 Ų189142.8 Ų142.882%0.82280%0.8SS**  trans83.6127.5-176.7-68.3175.3173.8171.60115.7
420S35Very low37.8Very low116 Ų116140.9 Ų140.981%0.81179%0.79SS**  cis89.6138.427.6-61.90000114.1
421R33.8Very low37.8Very low236 Ų236140.5 Ų140.589%0.89179%0.788SS**  cis-171.6157.40.5147.8179.2-179.6-167.11.5112.7
422A34.9Very low37Very low93 Ų93143.4 Ų143.477%0.76979%0.789SS**  trans85.7164.1154.300000122
423R38Very low37.3Very low256 Ų256148.2 Ų148.297%0.96679%0.791SS**  trans-124.8157.9-160.4-64.5174.8-93.7-143.7-5.5112
424G31.4Very low37.3Very low63 Ų63152.2 Ų152.265%0.64979%0.786SS**  trans-178.5111.2161.700000109.7
425I33.8Very low37.6Very low170 Ų170157.9 Ų157.987%0.87279%0.792SS**  82.5115.988.5-70.1167.2000114.1
426S35Very low37.6Very low98 Ų98154.3 Ų154.369%0.68579%0.786SS**  trans51.4132.9154.8-780000124.8
427D35.6Very low37.2Very low139 Ų139155.3 Ų155.374%0.74379%0.792SS**  trans47113.1136.9-56.6-61.7000122
428T40.1Very low37.5Very low149 Ų149153.1 Ų153.191%0.91479%0.792SS**  -175.6159.111621.90000113.5
429L39.3Very low37.8Very low162 Ų162156 Ų15685%0.84880%0.797SS**  trans-96178.7173.3-72.2170.6000110.9
430P53.4Low38.4Very low105 Ų105152 Ų15268%0.68279%0.79SS**  cis-130.9-171.3-41.236.4-20000111.6
431L36.6Very low39.2Very low148 Ų148152.7 Ų152.778%0.77579%0.792SS**  trans168.5137.8130.1-92.6161.6000116.2
432K37.3Very low40.4Very low185 Ų185145.7 Ų145.780%0.80477%0.769SS**  trans61.9158.1154.4-72.3168.2176.9170.30120.9
433K35.6Very low41.5Very low166 Ų166145.2 Ų145.272%0.72276%0.76SS**  cis-177.4126.7-37177164.1-175.3170.50110.6
434R33.3Very low42.5Very low210 Ų210138.2 Ų138.279%0.79274%0.742SS**  trans65162.3172.7-70.9172.8166.3175.5-7.3114.6
435R36.6Very low44.2Very low224 Ų224139.6 Ų139.685%0.84574%0.735SS**  cis-142.5162.10.3-145.7175.1-174.8165.6-2.7109.6
436A40Very low45.9Very low87 Ų87137 Ų13772%0.71972%0.719SS**PPolyproline II helixtrans-88.7157.4176.200000112.8
437P46Very low47.6Very low126 Ų126139.5 Ų139.582%0.81872%0.72SS**PPolyproline II helixtrans-84.5165.1168.536.2-34.9000112.5
438E38.4Very low49.3Very low199 Ų199139.6 Ų139.693%0.9372%0.717SS**PPolyproline II helixtrans-89.6168.4179.8-64.8-176.513800113.5
439K44.8Very low50.9Low155 Ų155137 Ų13767%0.67469%0.693SS**  trans-112.2140.1-178.8-172-166.3175.4-172.60109.6E442K439-E442 IonicContact NZ-OE2 2.66Å; K439-E442 PolarHBondContact NZ-OE2 2.94Å
440P47Very low52.8Low105 Ų105136.5 Ų136.568%0.68269%0.687SS**  trans-62.2163.2170-20.733.7000112.8
441P53.1Low53.9Low131 Ų131134 Ų13485%0.85168%0.675SS**  trans-68.4147.9-170.427.9-35.2000113.7
442E57.4Low55.7Low88 Ų88129.2 Ų129.241%0.41166%0.656SS.*  trans-123.296.6178178.4172.3-174.900107K439 D445 K449K439-E442 IonicContact NZ-OE2 2.66Å; K439-E442 PolarHBondContact NZ-OE2 2.94Å; E442-D445 HydrophobicContact CG-CB 4.18Å; E442-K449 IonicContact OE1-NZ 3.16Å; E442-K449 PolarHBondContact OE1-NZ 3.37Å; E442-K449 VanDerWaalsContact OE1-NZ 3.12Å
443S59.8Low57.7Low83 Ų83120.6 Ų120.658%0.5862%0.62SS**  trans-109.4-45.7179460000112.4
444D58.6Low59.8Low109 Ų109116.3 Ų116.358%0.58361%0.611SS**Hα-helixtrans-86.2-26.9-164.3-52.36000111.9M448D444-M448 WeakPolarHBondContact O-CG 3.32Å; D444-M448 PolarHBondContact O-N 3.35Å; D444-M448 VanDerWaalsContact O-N 3.15Å
445D67.4Low61.9Low93 Ų93112 Ų11250%0.49760%0.603SS.*Hα-helixtrans-69.1-35.6-176.6-73.7-59.2000113.5E442 K449E442-D445 HydrophobicContact CG-CB 4.18Å; D445-K449 WeakPolarHBondContact O-CB 3.23Å; D445-K449 WeakPolarHBondContact O-CD 3.33Å; D445-K449 WeakPolarHBondContact O-CE 3.45Å; D445-K449 WeakPolarHBondContact O-CG 3.46Å; D445-K449 PolarHBondContact O-N 3.35Å
446E69.3Low63.8Low115 Ų115105.2 Ų105.254%0.53758%0.583SS.*Hα-helixtrans-73.9-40.1179.2-73.8-66.6119.200111.9M448 K449 E450E446-M448 VanDerWaalsContact C-N 3.34Å; E446-M448 PolarHBondContact O-N 3.36Å; E446-K449 PolarHBondContact O-N 2.93Å; E446-K449 WeakPolarHBondContact OE1-CD 3.49Å; E446-K449 WeakPolarHBondContact OE1-CE 3.39Å; E446-K449 IonicContact OE1-NZ 2.73Å; E446-K449 PolarHBondContact OE1-NZ 2.89Å; E446-E450 PolarHBondContact O-N 2.97Å
447E70.2Confident65.6Low151 Ų151107.3 Ų107.371%0.70658%0.578SS**Hα-helixtrans-62.3-41.5174-170.3175.6168.400111.1E450 A451E447-E450 PolarHBondContact O-N 3.39Å; E447-A451 VanDerWaalsContact O-CB 3.29Å; E447-A451 WeakPolarHBondContact O-CB 3.47Å; E447-A451 PolarHBondContact O-N 3.01Å
448M70.7Confident66.9Low140 Ų140108.7 Ų108.769%0.6958%0.578SS**Hα-helixtrans-64.7-38.4173.3-72.9-159-176.600113.3D444 E446 A452D444-M448 WeakPolarHBondContact O-CG 3.32Å; D444-M448 PolarHBondContact O-N 3.35Å; D444-M448 VanDerWaalsContact O-N 3.15Å; E446-M448 VanDerWaalsContact C-N 3.34Å; E446-M448 PolarHBondContact O-N 3.36Å; M448-A452 VanDerWaalsContact O-CB 3.23Å; M448-A452 WeakPolarHBondContact O-CB 3.47Å; M448-A452 PolarHBondContact O-N 2.96Å
449K74.6Confident68.5Low94 Ų94102.7 Ų102.741%0.40956%0.562SS.*Hα-helixtrans-66.5-40175.3-70.2156.8-160.2150.30111.7E442 D445 E446 G453E442-K449 IonicContact OE1-NZ 3.16Å; E442-K449 PolarHBondContact OE1-NZ 3.37Å; E442-K449 VanDerWaalsContact OE1-NZ 3.12Å; D445-K449 WeakPolarHBondContact O-CB 3.23Å; D445-K449 WeakPolarHBondContact O-CD 3.33Å; D445-K449 WeakPolarHBondContact O-CE 3.45Å; D445-K449 WeakPolarHBondContact O-CG 3.46Å; D445-K449 PolarHBondContact O-N 3.35Å; E446-K449 PolarHBondContact O-N 2.93Å; E446-K449 WeakPolarHBondContact OE1-CD 3.49Å; E446-K449 WeakPolarHBondContact OE1-CE 3.39Å; E446-K449 IonicContact OE1-NZ 2.73Å; E446-K449 PolarHBondContact OE1-NZ 2.89Å; K449-G453 PolarHBondContact O-N 3.22Å
450E78.7Confident70.2Confident153 Ų15397.2 Ų97.272%0.71555%0.549SS*.Hα-helixtrans-69.1-46177.2-175.1164.5-158.100111.4E446 E447 A452 G453 S454E446-E450 PolarHBondContact O-N 2.97Å; E447-E450 PolarHBondContact O-N 3.39Å; E450-A452 PolarHBondContact O-N 3.16Å; E450-G453 CarbonylContact O-C 3.55Å; E450-G453 WeakPolarHBondContact O-CA 3.4Å; E450-G453 PolarHBondContact O-N 2.91Å; E450-G453 VanDerWaalsContact O-N 3.12Å; E450-S454 WeakPolarHBondContact O-CB 3.47Å; E450-S454 PolarHBondContact O-N 2.93Å
451A75.4Confident71.6Confident52 Ų5295.4 Ų95.443%0.4354%0.537SS..Hα-helixtrans-58.6-46.6175.100000112.1E447 G453 S454 L455E447-A451 VanDerWaalsContact O-CB 3.29Å; E447-A451 WeakPolarHBondContact O-CB 3.47Å; E447-A451 PolarHBondContact O-N 3.01Å; A451-G453 VanDerWaalsContact C-N 3.33Å; A451-G453 PolarHBondContact O-N 3.27Å; A451-S454 PolarHBondContact O-N 3.26Å; A451-L455 WeakPolarHBondContact O-CG 3.29Å; A451-L455 PolarHBondContact O-N 3.32Å
452A76Confident72.5Confident47 Ų4795 Ų9539%0.38852%0.518SS..Hα-helixtrans-63.4-38.2174.200000112.2M448 E450 L456M448-A452 VanDerWaalsContact O-CB 3.23Å; M448-A452 WeakPolarHBondContact O-CB 3.47Å; M448-A452 PolarHBondContact O-N 2.96Å; E450-A452 PolarHBondContact O-N 3.16Å; A452-L456 WeakPolarHBondContact O-CB 3.41Å; A452-L456 WeakPolarHBondContact O-CG 3.46Å; A452-L456 PolarHBondContact O-N 2.89Å
453G78.8Confident73.2Confident4 Ų494 Ų944%0.04152%0.524CS..Hα-helixtrans-64.1-36.9174.700000113.6K449 E450 A451 H457 R462K449-G453 PolarHBondContact O-N 3.22Å; E450-G453 CarbonylContact O-C 3.55Å; E450-G453 WeakPolarHBondContact O-CA 3.4Å; E450-G453 PolarHBondContact O-N 2.91Å; E450-G453 VanDerWaalsContact O-N 3.12Å; A451-G453 VanDerWaalsContact C-N 3.33Å; A451-G453 PolarHBondContact O-N 3.27Å; G453-H457 PolarHBondContact O-N 3.47Å; G453-R462 WeakPolarHBondContact O-CD 3.36Å; G453-R462 PolarHBondContact O-NE 3.03Å
454S80.4Confident73.6Confident77 Ų7793.7 Ų93.754%0.53852%0.522SS..Hα-helixtrans-70.4-46.5176-168.80000111.4E450 A451 L456 H457 L458E450-S454 WeakPolarHBondContact O-CB 3.47Å; E450-S454 PolarHBondContact O-N 2.93Å; A451-S454 PolarHBondContact O-N 3.26Å; S454-L456 VanDerWaalsContact C-N 3.35Å; S454-L456 PolarHBondContact O-N 3.07Å; S454-H457 WeakPolarHBondContact O-CA 3.09Å; S454-H457 WeakPolarHBondContact O-CB 3.47Å; S454-H457 PolarHBondContact O-N 3.17Å; S454-L458 PolarHBondContact O-N 3.12Å
455L75.9Confident74.3Confident118 Ų11893.4 Ų93.462%0.61852%0.52SS*.Hα-helixtrans-59.1-42.1174.2-73.3168.3000112.5A451 H457 L458 A459A451-L455 WeakPolarHBondContact O-CG 3.29Å; A451-L455 PolarHBondContact O-N 3.32Å; L455-H457 PolarHBondContact O-N 2.99Å; L455-L458 PolarHBondContact O-N 3.28Å; L455-A459 WeakPolarHBondContact O-CB 3.4Å; L455-A459 PolarHBondContact O-N 2.81Å
456L76.8Confident74.5Confident83 Ų8393.6 Ų93.644%0.43552%0.521SS..Hα-helixtrans-69.5-18.7175.1-73.7169000113.8A452 S454 V461 R462A452-L456 WeakPolarHBondContact O-CB 3.41Å; A452-L456 WeakPolarHBondContact O-CG 3.46Å; A452-L456 PolarHBondContact O-N 2.89Å; S454-L456 VanDerWaalsContact C-N 3.35Å; S454-L456 PolarHBondContact O-N 3.07Å; L456-V461 HydrophobicContact CD2-CB 4.08Å; L456-V461 HydrophobicContact CD2-CG1 4.12Å; L456-V461 HydrophobicContact CD2-CG2 4.47Å; L456-V461 PolarHBondContact O-N 3.15Å; L456-R462 HydrophobicContact CB-CG 4.09Å; L456-R462 PolarHBondContact O-N 3.39Å
457H77.6Confident74.6Confident131 Ų13192.3 Ų92.361%0.60652%0.517SS*.Hα-helixtrans-81.7-46.5170.3-172.656.8000111.2G453 S454 L455 A459 G460G453-H457 PolarHBondContact O-N 3.47Å; S454-H457 WeakPolarHBondContact O-CA 3.09Å; S454-H457 WeakPolarHBondContact O-CB 3.47Å; S454-H457 PolarHBondContact O-N 3.17Å; L455-H457 PolarHBondContact O-N 2.99Å; H457-A459 VanDerWaalsContact C-N 3.28Å; H457-A459 PolarHBondContact O-N 3.45Å; H457-G460 WeakPolarHBondContact O-CA 3.2Å; H457-G460 PolarHBondContact O-N 2.88Å
458L74.4Confident74.8Confident155 Ų15589.8 Ų89.881%0.81251%0.507SS*.Hα-helixtrans-61.6-35.7178.3-158.574.3000112.3S454 L455 G460S454-L458 PolarHBondContact O-N 3.12Å; L455-L458 PolarHBondContact O-N 3.28Å; L458-G460 PolarHBondContact O-N 3.39Å
459A71.3Confident75Confident72 Ų7287 Ų8760%0.59550%0.498SS*.THydrogen-bonded Turntrans-78.86172.900000114.3L455 H457 V461L455-A459 WeakPolarHBondContact O-CB 3.4Å; L455-A459 PolarHBondContact O-N 2.81Å; H457-A459 VanDerWaalsContact C-N 3.28Å; H457-A459 PolarHBondContact O-N 3.45Å; A459-V461 HydrophobicContact CB-CG2 4.12Å; A459-V461 PolarHBondContact O-N 2.9Å
460G79.8Confident74.7Confident40 Ų4087.9 Ų87.941%0.41251%0.508SS..SBendtrans70.8-15.8-179.600000116.1H457 L458 R462 A463H457-G460 WeakPolarHBondContact O-CA 3.2Å; H457-G460 PolarHBondContact O-N 2.88Å; L458-G460 PolarHBondContact O-N 3.39Å; G460-R462 VanDerWaalsContact C-N 3.32Å; G460-R462 PolarHBondContact O-N 3.19Å; G460-A463 PolarHBondContact O-N 3.45Å
461V77.3Confident74.3Confident68 Ų6889.4 Ų89.441%0.41251%0.507SS..Hα-helixtrans-55-41.4-173.2-177.20000112.8L456 A459 A463 C464 L465L456-V461 HydrophobicContact CD2-CB 4.08Å; L456-V461 HydrophobicContact CD2-CG1 4.12Å; L456-V461 HydrophobicContact CD2-CG2 4.47Å; L456-V461 PolarHBondContact O-N 3.15Å; A459-V461 HydrophobicContact CB-CG2 4.12Å; A459-V461 PolarHBondContact O-N 2.9Å; V461-A463 VanDerWaalsContact C-N 3.28Å; V461-A463 PolarHBondContact O-N 2.97Å; V461-C464 PolarHBondContact O-N 2.63Å; V461-C464 VanDerWaalsContact O-N 3.16Å; V461-L465 PolarHBondContact O-N 3.07Å
462R73.1Confident74Confident123 Ų12389.9 Ų89.946%0.46451%0.511SS..Hα-helixtrans-56.4-37.7178.4-101.3-179.4169.7-161.8-1.6113.2G453 L456 G460 N466G453-R462 WeakPolarHBondContact O-CD 3.36Å; G453-R462 PolarHBondContact O-NE 3.03Å; L456-R462 HydrophobicContact CB-CG 4.09Å; L456-R462 PolarHBondContact O-N 3.39Å; G460-R462 VanDerWaalsContact C-N 3.32Å; G460-R462 PolarHBondContact O-N 3.19Å; R462-N466 WeakPolarHBondContact O-CB 3.36Å; R462-N466 VanDerWaalsContact O-CG 3.23Å; R462-N466 PolarHBondContact O-N 3.39Å; R462-N466 VanDerWaalsContact O-N 3.11Å; R462-N466 PolarHBondContact O-ND2 2.95Å
463A72.1Confident73.6Confident66 Ų6690.6 Ų90.655%0.54552%0.517SS..Hα-helixtrans-69.8-40.7179.100000111.7G460 V461 N467G460-A463 PolarHBondContact O-N 3.45Å; V461-A463 VanDerWaalsContact C-N 3.28Å; V461-A463 PolarHBondContact O-N 2.97Å; A463-N467 PolarHBondContact O-N 3.12Å; A463-N467 VanDerWaalsContact O-N 3.11Å
464C67.9Low72.8Confident77 Ų7796.1 Ų96.152%0.5254%0.54SS..Hα-helixtrans-64.1-47.3175.7-170.40000111.5V461 N466 N467 I468V461-C464 PolarHBondContact O-N 2.63Å; V461-C464 VanDerWaalsContact O-N 3.16Å; C464-N466 VanDerWaalsContact C-N 3.34Å; C464-N466 PolarHBondContact O-N 2.58Å; C464-N467 WeakPolarHBondContact O-CB 3.13Å; C464-N467 PolarHBondContact O-N 3.11Å; C464-I468 WeakPolarHBondContact O-CG1 3.4Å; C464-I468 PolarHBondContact O-N 3.02Å
465L71.8Confident71.9Confident103 Ų10393.8 Ų93.854%0.53953%0.528SS..Hα-helixtrans-60.8-41179.9-157.475.1000112.2V461 I468 T469V461-L465 PolarHBondContact O-N 3.07Å; L465-I468 PolarHBondContact O-N 2.98Å; L465-T469 WeakPolarHBondContact O-CB 3.43Å; L465-T469 PolarHBondContact O-N 3.48Å; L465-T469 PolarHBondContact O-OG1 2.96Å
466N72.7Confident71Confident97 Ų9795.2 Ų95.252%0.51953%0.532SS..Hα-helixtrans-64.2-39.2173.4-72.8-9.4000112.3R462 C464 T469 N470R462-N466 WeakPolarHBondContact O-CB 3.36Å; R462-N466 VanDerWaalsContact O-CG 3.23Å; R462-N466 PolarHBondContact O-N 3.39Å; R462-N466 VanDerWaalsContact O-N 3.11Å; R462-N466 PolarHBondContact O-ND2 2.95Å; C464-N466 VanDerWaalsContact C-N 3.34Å; C464-N466 PolarHBondContact O-N 2.58Å; N466-T469 PolarHBondContact O-N 3.48Å; N466-N470 WeakPolarHBondContact O-CB 3.38Å; N466-N470 VanDerWaalsContact O-CG 3.31Å; N466-N470 PolarHBondContact O-N 3.47Å; N466-N470 PolarHBondContact O-ND2 3.17Å; N466-N470 VanDerWaalsContact O-ND2 3.17Å
467N71.9Confident70.2Confident87 Ų8798.4 Ų98.447%0.46554%0.542SS..Hα-helixtrans-65-44.8177-154.5-71.9000111.7A463 C464 T469 N470 R471A463-N467 PolarHBondContact O-N 3.12Å; A463-N467 VanDerWaalsContact O-N 3.11Å; C464-N467 WeakPolarHBondContact O-CB 3.13Å; C464-N467 PolarHBondContact O-N 3.11Å; N467-T469 PolarHBondContact O-N 3.42Å; N467-N470 PolarHBondContact O-N 3.11Å; N467-R471 WeakPolarHBondContact O-CG 3.45Å; N467-R471 PolarHBondContact O-N 2.74Å; N467-R471 PolarHBondContact OD1-NE 3.35Å
468I73.5Confident69.2Low98 Ų9896.6 Ų96.650%0.50353%0.534SS..Hα-helixtrans-59.2-46.4175.3-66.6164.8000110.7C464 L465 N470 R471 A472C464-I468 WeakPolarHBondContact O-CG1 3.4Å; C464-I468 PolarHBondContact O-N 3.02Å; L465-I468 PolarHBondContact O-N 2.98Å; I468-N470 PolarHBondContact O-N 2.98Å; I468-R471 PolarHBondContact O-N 3.5Å; I468-A472 PolarHBondContact O-N 3.48Å
469T75.9Confident68.3Low81 Ų8195.9 Ų95.950%0.49753%0.527SS..Hα-helixtrans-64.2-42.7-179.3-54.20000111.5L465 N466 N467 A472 A473L465-T469 WeakPolarHBondContact O-CB 3.43Å; L465-T469 PolarHBondContact O-N 3.48Å; L465-T469 PolarHBondContact O-OG1 2.96Å; N466-T469 PolarHBondContact O-N 3.48Å; N467-T469 PolarHBondContact O-N 3.42Å; T469-A472 PolarHBondContact O-N 3.15Å; T469-A473 WeakPolarHBondContact O-CB 3.44Å; T469-A473 PolarHBondContact O-N 3.33Å
470N68.3Low67.6Low113 Ų113100.4 Ų100.460%0.60453%0.533SS*.Hα-helixtrans-65.8-36.6175.6-75-32.4000112.8N466 N467 I468 K474N466-N470 WeakPolarHBondContact O-CB 3.38Å; N466-N470 VanDerWaalsContact O-CG 3.31Å; N466-N470 PolarHBondContact O-N 3.47Å; N466-N470 PolarHBondContact O-ND2 3.17Å; N466-N470 VanDerWaalsContact O-ND2 3.17Å; N467-N470 PolarHBondContact O-N 3.11Å; I468-N470 PolarHBondContact O-N 2.98Å; N470-K474 WeakPolarHBondContact O-CB 3.45Å; N470-K474 PolarHBondContact O-N 3.27Å
471R68.9Low66.4Low185 Ų185104 Ų10470%0.69854%0.539SS*.Hα-helixtrans-64.1-44.1172.6-73.3177.2-176.6-131.3-0.7111.8N467 I468 K474 G475N467-R471 WeakPolarHBondContact O-CG 3.45Å; N467-R471 PolarHBondContact O-N 2.74Å; N467-R471 PolarHBondContact OD1-NE 3.35Å; I468-R471 PolarHBondContact O-N 3.5Å; R471-K474 PolarHBondContact O-N 2.94Å; R471-G475 PolarHBondContact O-N 2.99Å
472A70.3Confident65.3Low63 Ų63106 Ų10652%0.52155%0.551SS.*Hα-helixtrans-62.7-44176.500000112.1I468 T469 K474 G475 Q476I468-A472 PolarHBondContact O-N 3.48Å; T469-A472 PolarHBondContact O-N 3.15Å; A472-K474 PolarHBondContact O-N 3.37Å; A472-G475 PolarHBondContact O-N 2.81Å; A472-Q476 PolarHBondContact O-N 2.66Å; A472-Q476 VanDerWaalsContact O-N 3.15Å
473A67.6Low64.3Low62 Ų62107.9 Ų107.951%0.51257%0.57SS.*Hα-helixtrans-63.2-38.717600000112.7T469 K477T469-A473 WeakPolarHBondContact O-CB 3.44Å; T469-A473 PolarHBondContact O-N 3.33Å; A473-K477 PolarHBondContact O-N 2.96Å
474K62.2Low63.4Low119 Ų119115.2 Ų115.252%0.51758%0.583SS.*Hα-helixtrans-65.9-45.8175.1-166.4-178.9177.1-89.20111.6N470 R471 A472 Q476 K477 E478N470-K474 WeakPolarHBondContact O-CB 3.45Å; N470-K474 PolarHBondContact O-N 3.27Å; R471-K474 PolarHBondContact O-N 2.94Å; A472-K474 PolarHBondContact O-N 3.37Å; K474-Q476 VanDerWaalsContact C-N 3.34Å; K474-Q476 PolarHBondContact O-N 3.22Å; K474-K477 WeakPolarHBondContact O-CA 3.48Å; K474-K477 WeakPolarHBondContact O-CB 3.45Å; K474-K477 PolarHBondContact O-N 3.37Å; K474-E478 WeakPolarHBondContact CG-OE2 3.4Å; K474-E478 IonicContact NZ-OE1 3.39Å; K474-E478 PolarHBondContact NZ-OE1 2.98Å; K474-E478 IonicContact NZ-OE2 3.87Å; K474-E478 PolarHBondContact NZ-OE2 3.22Å; K474-E478 PolarHBondContact O-N 2.96Å
475G59.8Low62.4Low29 Ų29121.3 Ų121.330%0.29961%0.611SS.*Hα-helixtrans-58.9-40.6178.900000113.6R471 A472 K477 Q479R471-G475 PolarHBondContact O-N 2.99Å; A472-G475 PolarHBondContact O-N 2.81Å; G475-K477 VanDerWaalsContact C-N 3.32Å; G475-K477 PolarHBondContact O-N 3.02Å; G475-Q479 WeakPolarHBondContact O-CG 3.41Å; G475-Q479 PolarHBondContact O-N 3.22Å
476Q58.6Low62Low148 Ų148122.2 Ų122.269%0.69261%0.614SS**Hα-helixtrans-70.6-26.1173.5-71.7-155.5-9.200113.7A472 K474 K480A472-Q476 PolarHBondContact O-N 2.66Å; A472-Q476 VanDerWaalsContact O-N 3.15Å; K474-Q476 VanDerWaalsContact C-N 3.34Å; K474-Q476 PolarHBondContact O-N 3.22Å; Q476-K480 VanDerWaalsContact O-CB 3.3Å; Q476-K480 WeakPolarHBondContact O-CB 3.47Å; Q476-K480 PolarHBondContact O-N 3.21Å
477K59.3Low61.4Low149 Ų149123.5 Ų123.565%0.64862%0.619SS**Hα-helixtrans-71.9-45.9174-162.5179.1179.2-171.60111A473 K474 G475 K480 E481A473-K477 PolarHBondContact O-N 2.96Å; K474-K477 WeakPolarHBondContact O-CA 3.48Å; K474-K477 WeakPolarHBondContact O-CB 3.45Å; K474-K477 PolarHBondContact O-N 3.37Å; G475-K477 VanDerWaalsContact C-N 3.32Å; G475-K477 PolarHBondContact O-N 3.02Å; K477-K480 PolarHBondContact O-N 3.03Å; K477-E481 WeakPolarHBondContact O-CB 3.3Å; K477-E481 PolarHBondContact O-N 3.49Å
478E57.2Low60.8Low93 Ų93125.6 Ų125.644%0.43563%0.628SS.*Hα-helixtrans-63.2-44.4177-74170.5130.400111.5K474 K480 E481 T482K474-E478 WeakPolarHBondContact CG-OE2 3.4Å; K474-E478 IonicContact NZ-OE1 3.39Å; K474-E478 PolarHBondContact NZ-OE1 2.98Å; K474-E478 IonicContact NZ-OE2 3.87Å; K474-E478 PolarHBondContact NZ-OE2 3.22Å; K474-E478 PolarHBondContact O-N 2.96Å; E478-K480 VanDerWaalsContact C-N 3.27Å; E478-K480 PolarHBondContact O-N 2.95Å; E478-E481 PolarHBondContact O-N 3.07Å; E478-E481 VanDerWaalsContact O-N 3.07Å; E478-T482 PolarHBondContact O-N 3.29Å; E478-T482 PolarHBondContact O-OG1 3.06Å
479Q53.8Low60.1Low141 Ų141127.2 Ų127.266%0.65964%0.635SS**Hα-helixtrans-60.6-33.1174.2-76.6-176.2-12.800113.8G475 E481 T482G475-Q479 WeakPolarHBondContact O-CG 3.41Å; G475-Q479 PolarHBondContact O-N 3.22Å; Q479-E481 VanDerWaalsContact C-N 3.34Å; Q479-T482 WeakPolarHBondContact CA-OG1 3.49Å; Q479-T482 PolarHBondContact O-OG1 3.17Å
480K56.4Low59.1Low166 Ų166130.1 Ų130.172%0.72264%0.644SS**Hα-helixtrans-77.6-20.4177-171.9170.6-177.9175.40113Q476 K477 E478Q476-K480 VanDerWaalsContact O-CB 3.3Å; Q476-K480 WeakPolarHBondContact O-CB 3.47Å; Q476-K480 PolarHBondContact O-N 3.21Å; K477-K480 PolarHBondContact O-N 3.03Å; E478-K480 VanDerWaalsContact C-N 3.27Å; E478-K480 PolarHBondContact O-N 2.95Å
481E55.1Low58.5Low115 Ų115131.2 Ų131.254%0.53765%0.646SS.*Hα-helixtrans-87.1-38.1177.5-161.6147-146.500110.9K477 E478 Q479 L483 R484K477-E481 WeakPolarHBondContact O-CB 3.3Å; K477-E481 PolarHBondContact O-N 3.49Å; E478-E481 PolarHBondContact O-N 3.07Å; E478-E481 VanDerWaalsContact O-N 3.07Å; Q479-E481 VanDerWaalsContact C-N 3.34Å; E481-L483 PolarHBondContact O-N 3.22Å; E481-R484 PolarHBondContact O-N 3.46Å; E481-R484 VanDerWaalsContact O-N 3.17Å
482T53.7Low57.7Low110 Ų110127.4 Ų127.468%0.67564%0.643SS**THydrogen-bonded Turntrans-67.2-12.3171.352.50000114.8E478 Q479E478-T482 PolarHBondContact O-N 3.29Å; E478-T482 PolarHBondContact O-OG1 3.06Å; Q479-T482 WeakPolarHBondContact CA-OG1 3.49Å; Q479-T482 PolarHBondContact O-OG1 3.17Å
483L53.6Low56.7Low163 Ų163132.3 Ų132.385%0.85365%0.652SS**THydrogen-bonded Turntrans-97.310.9175.4-155.177000112.7E481E481-L483 PolarHBondContact O-N 3.22Å
484R53Low55.8Low220 Ų220138.2 Ų138.283%0.8366%0.664SS**THydrogen-bonded Turntrans-123.1-12.3-173.6-171171.2178.6-144-5.3114.7E481E481-R484 PolarHBondContact O-N 3.46Å; E481-R484 VanDerWaalsContact O-N 3.17Å
485N47.2Very low55.3Low205 Ų205139.9 Ų139.9100%1.09668%0.677SS**  trans-108.30177.9-63.8-22.7000110.5

Retrieved 485 of 485 residues in 1664.7 ms (Link to these results)