A0A087WZT9_HUMAN Loading...

Protein serine kinase H1

AlphaFold DB , UniProt , Accession A0A087WZT9, Species HUMAN (Homo sapiens, Human), Gene PSKH1, Length 353 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M27.3Very low35.3Very low244 Ų244111.3 Ų111.3100%1.20269%0.688SS**  0145.60-70.1-171.2-80.100107.9
2G29.3Very low35.7Very low82 Ų82105.6 Ų105.685%0.84565%0.654SS**  trans72.6153.4-168.500000113
3C27Very low36Very low120 Ų120100.8 Ų100.881%0.81163%0.626SS**  cis-137.1130.1-9.9-172.90000109.1
4G30.6Very low36.1Very low76 Ų76107.8 Ų107.878%0.78464%0.643SS**  trans-109.291.6-177.900000111.6S6G4-S6 VanDerWaalsContact C-N 3.28Å; G4-S6 PolarHBondContact O-N 2.87Å
5T36.8Very low36.3Very low125 Ų125109.9 Ų109.977%0.76765%0.649SS**  trans-77.275.5176.242.90000111.4K7T5-K7 PolarHBondContact O-N 2.84Å
6S30.4Very low36.4Very low94 Ų94106.6 Ų106.666%0.65763%0.631SS**  trans-57.2130.9167.4-174.20000109.8G4 V8G4-S6 VanDerWaalsContact C-N 3.28Å; G4-S6 PolarHBondContact O-N 2.87Å; S6-V8 PolarHBondContact O-N 3.02Å
7K44.9Very low36.2Very low143 Ų143111.2 Ų111.262%0.62265%0.645SS**SBendtrans-75.615.7-175.1-67.7-165.4175.1-168.40114.3T5T5-K7 PolarHBondContact O-N 2.84Å
8V38.2Very low36.3Very low114 Ų114107.5 Ų107.569%0.69162%0.622SS**PPolyproline II helixtrans-93.3117.2176.1-177.10000108.8S6S6-V8 PolarHBondContact O-N 3.02Å
9L43.8Very low36.1Very low20 Ų20108.6 Ų108.611%0.10563%0.625CS.*PPolyproline II helixtrans-75.3142.2173.9-53.9-169.6000110.1T257 I264 L269L9-T257 HydrophobicContact CB-CG2 4.1Å; L9-T257 HydrophobicContact CD1-CG2 3.59Å; L9-T257 HydrophobicContact CG-CG2 3.82Å; L9-I264 HydrophobicContact CD1-CD1 3.62Å; L9-L269 HydrophobicContact CD1-CD2 3.9Å
10P41Very low36Very low70 Ų70109 Ų10946%0.45562%0.624SS.*PPolyproline II helixtrans-62.6162.1176.428.4-35.5000111.6Y306P10-Y306 HydrophobicContact CG-CE2 4.19Å
11E38.8Very low35.8Very low136 Ų136110 Ų11064%0.63663%0.632SS**PPolyproline II helixtrans-60.9138.5179.1-54.6-103.8105.600111R271E11-R271 IonicContact OE1-CZ 3.67Å; E11-R271 IonicContact OE1-NH1 3.76Å; E11-R271 PolarHBondContact OE1-NH1 3.29Å; E11-R271 IonicContact OE1-NH2 2.7Å; E11-R271 PolarHBondContact OE1-NH2 2.81Å
12P40.7Very low36Very low43 Ų43106.8 Ų106.828%0.27961%0.612SS.*PPolyproline II helixtrans-67.9149.8172.329-34.3000111
13P39.8Very low35.9Very low44 Ų44110 Ų11029%0.28660%0.602SS.*PPolyproline II helixtrans-56.3139.7170.6-22.733.4000111.3D15 T303P13-D15 WeakPolarHBondContact CB-OD2 3.5Å; P13-D15 PolarHBondContact O-N 3.29Å; P13-D15 VanDerWaalsContact O-N 3.11Å; P13-T303 HydrophobicContact CG-CG2 4.16Å
14K37.1Very low36.1Very low198 Ų198110.5 Ų110.586%0.86160%0.601SS**THydrogen-bonded Turntrans-73.3-3.6-172.7-65.3-176.4178.11800113.7
15D38.8Very low35.9Very low139 Ų139113.2 Ų113.274%0.74359%0.594SS**THydrogen-bonded Turntrans-106.23.6-161.4-15.5-69.4000112.5P13P13-D15 WeakPolarHBondContact CB-OD2 3.5Å; P13-D15 PolarHBondContact O-N 3.29Å; P13-D15 VanDerWaalsContact O-N 3.11Å
16V38.5Very low35.4Very low58 Ų58112.9 Ų112.935%0.35259%0.594SS.*  trans-101.488.5-175.3-173.40000111L18 L310V16-L18 PolarHBondContact O-N 3.41Å; V16-L310 HydrophobicContact CG1-CD1 4.48Å
17Q33.1Very low35.4Very low185 Ų185118 Ų11886%0.86461%0.605SS**  trans-77.1117.9169.3-146.7169.52200109.6D19Q17-D19 PolarHBondContact O-N 2.94Å
18L36.9Very low34.8Very low44 Ų44116.4 Ų116.423%0.2361%0.611CS.*  trans-81.992.3-179.7-94159.8000110.9V16 L20 V270V16-L18 PolarHBondContact O-N 3.41Å; L18-L20 PolarHBondContact O-N 3.35Å; L18-V270 HydrophobicContact CD1-CB 4.33Å; L18-V270 HydrophobicContact CD1-CG1 3.78Å; L18-V270 HydrophobicContact CD1-CG2 3.74Å
19D33.6Very low34.7Very low128 Ų128113.8 Ų113.868%0.68461%0.607SS**  trans-73.984.3158.5-93.7-36.8000110.1Q17 K22Q17-D19 PolarHBondContact O-N 2.94Å; D19-K22 IonicContact OD1-NZ 2.69Å; D19-K22 PolarHBondContact OD1-NZ 3Å
20L33.1Very low34.2Very low116 Ų116119.7 Ų119.761%0.60764%0.644SS**  trans-55.9139.7158.2-67.9164.7000108.7L18 K22L18-L20 PolarHBondContact O-N 3.35Å; L20-K22 WeakPolarHBondContact O-CG 3.29Å; L20-K22 PolarHBondContact O-N 2.61Å
21V31.9Very low34Very low132 Ų132126.6 Ų126.680%0.867%0.667SS**  trans-65.995.2-177.3-179.30000110.1K23V21-K23 VanDerWaalsContact C-N 3.28Å; V21-K23 WeakPolarHBondContact CG1-O 3.46Å; V21-K23 PolarHBondContact O-N 2.7Å
22K31.1Very low33.6Very low176 Ų176125.1 Ų125.177%0.76567%0.672SS**  trans-76.1-6-174.7-75.8161.2-169.8149.20114.7D19 L20D19-K22 IonicContact OD1-NZ 2.69Å; D19-K22 PolarHBondContact OD1-NZ 3Å; L20-K22 WeakPolarHBondContact O-CG 3.29Å; L20-K22 PolarHBondContact O-N 2.61Å
23K27Very low33.5Very low148 Ų148129.4 Ų129.464%0.64369%0.693SS**  trans-145.3128-177.6-151.2-178.8-173.4-166.40110.8V21 E25V21-K23 VanDerWaalsContact C-N 3.28Å; V21-K23 WeakPolarHBondContact CG1-O 3.46Å; V21-K23 PolarHBondContact O-N 2.7Å; K23-E25 HydrophobicContact CD-CG 4.07Å; K23-E25 WeakPolarHBondContact CD-OE1 3.44Å; K23-E25 WeakPolarHBondContact CE-OE1 3.45Å; K23-E25 HydrophobicContact CG-CG 4.22Å; K23-E25 IonicContact NZ-OE1 2.9Å; K23-E25 PolarHBondContact NZ-OE1 2.77Å
24V31.3Very low33.3Very low132 Ų132132.8 Ų132.880%0.871%0.712SS**  trans-99.9116.6166.7-179.80000106.9
25E26.6Very low33.2Very low133 Ų133132.3 Ų132.362%0.62171%0.706SS**  trans-107138.1169.6-62.5-161.2162.900109.8K23 F27K23-E25 HydrophobicContact CD-CG 4.07Å; K23-E25 WeakPolarHBondContact CD-OE1 3.44Å; K23-E25 WeakPolarHBondContact CE-OE1 3.45Å; K23-E25 HydrophobicContact CG-CG 4.22Å; K23-E25 IonicContact NZ-OE1 2.9Å; K23-E25 PolarHBondContact NZ-OE1 2.77Å; E25-F27 PolarHBondContact O-N 2.7Å
26P27.6Very low33Very low118 Ų118134.1 Ų134.177%0.76671%0.708SS**  trans-69.9128.9179.828.8-33.6000110.3S28P26-S28 PolarHBondContact O-N 2.64Å
27F30.6Very low32.7Very low202 Ų202139 Ų13989%0.88673%0.726SS**  trans-7489.1-175.3-172.9-96000112.1E25E25-F27 PolarHBondContact O-N 2.7Å
28S31.2Very low32.5Very low108 Ų108138.9 Ų138.976%0.75572%0.723SS**  trans-88.6116.1161.948.90000109.5P26 T30P26-S28 PolarHBondContact O-N 2.64Å; S28-T30 PolarHBondContact O-N 2.86Å
29G37.3Very low32.3Very low59 Ų59144.5 Ų144.561%0.60875%0.752SS**  trans-83106.4-167.900000114.9
30T31.7Very low32Very low145 Ų145144.4 Ų144.489%0.8976%0.756SS**  trans-151.2157.6147.622.40000110.3S28S28-T30 PolarHBondContact O-N 2.86Å
31K37.6Very low31.8Very low214 Ų214147.1 Ų147.193%0.9377%0.765SS**  trans-78.9137-167.7-63.1174.7178.1176.30114.4
32S31.1Very low31.9Very low106 Ų106148 Ų14874%0.74177%0.771SS**  -150.3146.1127.662.60000109.5
33D37.2Very low31.8Very low133 Ų133145.6 Ų145.671%0.71177%0.766SS**  trans-110.198-171-166.7-8.9000110.4Y35D33-Y35 PolarHBondContact O-N 2.85Å
34V36.6Very low31.8Very low114 Ų114143.1 Ų143.169%0.69177%0.768SS**THydrogen-bonded Turntrans-80.3-13.9-162.6-175.10000113.1K36V34-K36 PolarHBondContact O-N 2.85Å
35Y33.9Very low31.8Very low188 Ų188144 Ų14474%0.73777%0.773SS**THydrogen-bonded Turntrans-91.312.7-172.1-71.4-75.3000115.3D33 H37D33-Y35 PolarHBondContact O-N 2.85Å; Y35-H37 PolarHBondContact O-N 2.81Å
36K34.3Very low32Very low178 Ų178140.6 Ų140.677%0.77477%0.773SS**THydrogen-bonded Turntrans-71.95.9-173.5-141.3-178-177.3-173.90116.3V34V34-K36 PolarHBondContact O-N 2.85Å
37H33Very low32Very low159 Ų159140.9 Ų140.974%0.73678%0.775SS**THydrogen-bonded Turntrans-128.813.9-171.7-67.5-65.8000115.6Y35Y35-H37 PolarHBondContact O-N 2.81Å
38F28.5Very low32Very low183 Ų183138.3 Ų138.380%0.80378%0.776SS**SBendtrans-121.927.7177.4-76.3-75.4000114.1
39I32.3Very low31.9Very low162 Ų162142.3 Ų142.383%0.83178%0.78SS**  trans-124.895.4168.4-56179.6000108
40T29.1Very low31.4Very low127 Ų127144.6 Ų144.678%0.77979%0.793SS**  trans-118.4107.9166.150.20000108.3
41E28.8Very low31.2Very low172 Ų172141.1 Ų141.180%0.80479%0.785SS**  trans28.5113.2149.2-66.9163.3-177.100118.9
42V32.7Very low30.7Very low150 Ų150140.9 Ų140.991%0.90979%0.785SS**  -133.6115.6129.6-168.80000108.6
43D29.7Very low30.7Very low126 Ų126141.3 Ų141.367%0.67479%0.785SS**  trans-63.5168.6170.2-88-63000113.8
44S27Very low30.2Very low96 Ų96139.5 Ų139.567%0.67179%0.789SS**  cis-165138.5-23.1-120.20000107.5
45V31.1Very low29.8Very low152 Ų152139.2 Ų139.292%0.92180%0.798SS**  trans-141.5138.3161.6-176.20000109.1
46G30.2Very low29.5Very low60 Ų60136 Ų13662%0.61980%0.803SS**  trans-72.7-179.2-168.200000117.3
47P28.9Very low29.2Very low125 Ų125134.5 Ų134.581%0.81280%0.799SS**PPolyproline II helixtrans-84.7133.7-158.431.9-36.1000114.8
48V29.1Very low28.8Very low147 Ų147135.8 Ų135.889%0.89180%0.798SS**PPolyproline II helixtrans-93.9118.5159.3-176.20000108.2
49K29.5Very low28.7Very low193 Ų193131.7 Ų131.784%0.83980%0.799SS**PPolyproline II helixtrans-73140.2-179.5-68.1180177.7177.80111.1
50A27.9Very low28.7Very low107 Ų107131.8 Ų131.888%0.88480%0.795SS**PPolyproline II helixtrans-68.7145.8163.500000110.5
51G26Very low29.2Very low71 Ų71130.7 Ų130.773%0.73279%0.79SS**  trans-167.6103177.400000112.4
52F28.6Very low29.1Very low209 Ų209128.1 Ų128.192%0.91779%0.79SS**  trans-72.6145.6158.3-74.3-90.2000109.2
53P31.1Very low29.2Very low115 Ų115127 Ų12775%0.74779%0.786SS**  -125.8143.7113.128.7-16.8000110.3
54A26.7Very low29.2Very low96 Ų96124.1 Ų124.179%0.79379%0.786SS**  cis69.9128.249.700000112.2
55A28.4Very low29.9Very low107 Ų107125.4 Ų125.488%0.88479%0.792SS**  trans-92.9156.9-168.200000113.4
56S27.3Very low30.3Very low121 Ų121124 Ų12485%0.84679%0.785SS**  trans-139.9159.1158.9600000110.3
57Q26.7Very low30.5Very low147 Ų147127.7 Ų127.769%0.68780%0.797SS**  trans-117.8-172.7-171.7-65.5169.9-46.500110.9
58Y25.5Very low30.7Very low185 Ų185126.9 Ų126.973%0.72580%0.8SS**  trans89.2100.7159.3-52.4-67.8000119.4
59A26.7Very low30.7Very low98 Ų98123.1 Ų123.181%0.8179%0.791SS**  -144.9134129.400000108.9
60H30.6Very low30.9Very low163 Ų163122.8 Ų122.876%0.75579%0.792SS**  trans-118.2-164.9172.4-65.9-79.1000109.2
61P41.3Very low31Very low104 Ų104123.7 Ų123.768%0.67579%0.787SS**  -133.4-170.6-97.241.9-23.4000115.3
62C25.9Very low31.4Very low118 Ų118129 Ų12980%0.79779%0.793SS**  trans72.3165.4159-64.50000118.2
63P34.8Very low31.8Very low128 Ų128124.6 Ų124.683%0.83179%0.785SS**  cis-125.2-179.4-14.332.2-12.8000114.5
64G29.2Very low32.2Very low64 Ų64125.3 Ų125.366%0.6679%0.789SS**  trans-124.4-155160.500000110.4
65P41.7Very low32.8Very low124 Ų124126.3 Ų126.381%0.80579%0.791SS**  cis-103.1-107.9-1.527.2-5.3000110.3
66P40.3Very low33.3Very low121 Ų121127.2 Ų127.279%0.78678%0.777SS**  cis-95.5-140.7-5.642-35.2000112.2
67T35.2Very low34.1Very low139 Ų139126.5 Ų126.585%0.85377%0.769SS**  trans-138.7143.2-171.250.10000114.8
68A31.2Very low34.7Very low107 Ų107125.4 Ų125.488%0.88478%0.775SS**  trans-145.1141.4149.600000107.6
69G30.1Very low35.4Very low68 Ų68125.9 Ų125.970%0.70178%0.775SS**  trans-113.9167.4-170.700000114.3
70H33.1Very low36.3Very low186 Ų186132.6 Ų132.686%0.86178%0.78SS**  trans-158.9123.3158.5-93.4-61000112.5
71T31.5Very low36.7Very low126 Ų126129.2 Ų129.277%0.77378%0.78SS**  trans44.3115.1145.2-32.90000120.9
72E32.9Very low36.6Very low184 Ų184135.7 Ų135.786%0.8679%0.791SS**PPolyproline II helixtrans-74.5142.2164.3-64.4-176.8118.400112.9
73P37.7Very low37.4Very low115 Ų115135.9 Ų135.975%0.74779%0.788SS**PPolyproline II helixtrans-87.4158.1161.835.1-32.5000112.1
74P39.3Very low37.7Very low130 Ų130134 Ų13484%0.84478%0.783SS**PPolyproline II helixtrans-69.5147.9-171.1-19.232.8000114.8
75S38.9Very low38.6Very low118 Ų118140.6 Ų140.683%0.82579%0.794SS**PPolyproline II helixtrans-73.5124.9176.1460000112.7
76E39.5Very low39Very low126 Ų126137.3 Ų137.359%0.58977%0.766SS**PPolyproline II helixtrans-66.1141.8166.1-84.8-164.217900110.9R79E76-R79 IonicContact OE1-CZ 2.82Å; E76-R79 IonicContact OE1-NH2 2.67Å; E76-R79 PolarHBondContact OE1-NH2 3.45Å; E76-R79 IonicContact OE2-CZ 2.75Å; E76-R79 IonicContact OE2-NE 2.92Å; E76-R79 PolarHBondContact OE2-NE 2.85Å; E76-R79 IonicContact OE2-NH2 2.63Å; E76-R79 PolarHBondContact OE2-NH2 3.26Å
77P43.9Very low39.6Very low105 Ų105143.5 Ų143.568%0.68277%0.773SS**PPolyproline II helixtrans-65.9147.817228.9-34.7000111R79P77-R79 PolarHBondContact O-N 2.87Å
78P39.8Very low40.9Very low125 Ų125138.4 Ų138.481%0.81275%0.745SS**  trans-60.1114.2-171.422.6-33.7000112R80P78-R80 PolarHBondContact O-N 3.44Å
79R40.3Very low43.4Very low195 Ų195142.3 Ų142.374%0.73674%0.743SS**  trans-61.894.9-178.6-65.3-177.9178.6-166.1-1.7110.7E76 P77 A81E76-R79 IonicContact OE1-CZ 2.82Å; E76-R79 IonicContact OE1-NH2 2.67Å; E76-R79 PolarHBondContact OE1-NH2 3.45Å; E76-R79 IonicContact OE2-CZ 2.75Å; E76-R79 IonicContact OE2-NE 2.92Å; E76-R79 PolarHBondContact OE2-NE 2.85Å; E76-R79 IonicContact OE2-NH2 2.63Å; E76-R79 PolarHBondContact OE2-NH2 3.26Å; P77-R79 PolarHBondContact O-N 2.87Å; R79-A81 PolarHBondContact O-N 2.81Å
80R46.1Very low46.3Very low239 Ų239140.4 Ų140.490%0.90272%0.715SS**  trans-46.6116.6171.5-83.3-176.3169.1179.6-3109.6P78 R82P78-R80 PolarHBondContact O-N 3.44Å; R80-R82 PolarHBondContact O-N 3.32Å
81A37.5Very low49.2Very low92 Ų92132.6 Ų132.676%0.7668%0.68SS**  trans-57.7106.8-175.900000110.8R79 V83R79-A81 PolarHBondContact O-N 2.81Å; A81-V83 VanDerWaalsContact C-N 3.33Å; A81-V83 PolarHBondContact O-N 3.41Å
82R38.9Very low52.2Low239 Ų239131.2 Ų131.290%0.90267%0.673SS**  trans-72.488.2178.5-71.8175.966.6-177.31.7109.1R80 A84R80-R82 PolarHBondContact O-N 3.32Å; R82-A84 PolarHBondContact O-N 3.07Å
83V44.4Very low55.2Low122 Ų122128.3 Ų128.374%0.73965%0.654SS**  trans-47.6115.9170.7-178.30000108.3A81 K85A81-V83 VanDerWaalsContact C-N 3.33Å; A81-V83 PolarHBondContact O-N 3.41Å; V83-K85 PolarHBondContact O-N 3.13Å
84A40.2Very low58Low88 Ų88122.8 Ų122.873%0.72762%0.618SS**  trans-66.1104.5-167.500000110.4R82 Y86R82-A84 PolarHBondContact O-N 3.07Å; A84-Y86 PolarHBondContact O-N 3.4Å
85K47.8Very low60.7Low203 Ų203119.1 Ų119.188%0.88359%0.593SS**  trans-65.797.1-172.9-145174.1-170.6178.30110.2V83 R87V83-K85 PolarHBondContact O-N 3.13Å; K85-R87 PolarHBondContact O-N 3.21Å
86Y50.8Low63.5Low56 Ų56116.9 Ų116.922%0.2258%0.582CS.*  trans-65.3113.3-163.2177.1-98000112.5A84 A88 F90 L103 R111 V113A84-Y86 PolarHBondContact O-N 3.4Å; Y86-A88 HydrophobicContact CD1-CB 4.03Å; Y86-A88 HydrophobicContact CE1-CB 3.45Å; Y86-A88 VanDerWaalsContact CE1-CB 3.45Å; Y86-A88 PolarHBondContact O-N 3.06Å; Y86-F90 HydrophobicContact CD1-CE2 4.01Å; Y86-F90 HydrophobicContact CD1-CZ 4.49Å; Y86-F90 AromaticContact CE1-CE2 3.84Å; Y86-F90 HydrophobicContact CE1-CE2 3.84Å; Y86-F90 HydrophobicContact CE1-CZ 4.04Å; Y86-L103 HydrophobicContact CD2-CB 4.31Å; Y86-L103 HydrophobicContact CE2-CB 4Å; Y86-L103 HydrophobicContact CE2-CD1 3.98Å; Y86-L103 HydrophobicContact CE2-CD2 4.29Å; Y86-L103 HydrophobicContact CE2-CG 4.33Å; Y86-R111 PolarHBondContact OH-NE 3.22Å; Y86-R111 PolarHBondContact OH-NH2 2.79Å; Y86-R111 VanDerWaalsContact OH-NH2 3.15Å; Y86-V113 HydrophobicContact CE1-CG1 3.99Å
87R52.2Low66.3Low250 Ų250114.3 Ų114.394%0.94357%0.569SS**  trans-94.336.9-168.6-99.2-178.8161.9169.8-5.7115.5K85K85-R87 PolarHBondContact O-N 3.21Å
88A63.1Low68.9Low32 Ų32109.4 Ų109.426%0.26454%0.537SS..  trans-75133.1160.100000109.3Y86 F90Y86-A88 HydrophobicContact CD1-CB 4.03Å; Y86-A88 HydrophobicContact CE1-CB 3.45Å; Y86-A88 VanDerWaalsContact CE1-CB 3.45Å; Y86-A88 PolarHBondContact O-N 3.06Å; A88-F90 HydrophobicContact CB-CD2 4.4Å; A88-F90 HydrophobicContact CB-CE2 4.04Å; A88-F90 WeakPolarHBondContact O-CD2 3.25Å; A88-F90 PolarHBondContact O-N 2.91Å
89K82.9Confident71.6Confident190 Ų190106.9 Ų106.983%0.82652%0.516SS*.  trans-76.5109.2167.2-72.9-172.4179-178.20108.8R167K89-R167 PolarHBondContact O-NH1 3.04Å
90F91.2Very high74.3Confident27 Ų2799.5 Ų99.512%0.11849%0.491CS..  trans-81160.8169.3-73.9-104.4000110.7Y86 A88 V94 T95 I100 V113 M128 Y169Y86-F90 HydrophobicContact CD1-CE2 4.01Å; Y86-F90 HydrophobicContact CD1-CZ 4.49Å; Y86-F90 AromaticContact CE1-CE2 3.84Å; Y86-F90 HydrophobicContact CE1-CE2 3.84Å; Y86-F90 HydrophobicContact CE1-CZ 4.04Å; A88-F90 HydrophobicContact CB-CD2 4.4Å; A88-F90 HydrophobicContact CB-CE2 4.04Å; A88-F90 WeakPolarHBondContact O-CD2 3.25Å; A88-F90 PolarHBondContact O-N 2.91Å; F90-V94 HydrophobicContact CD1-CG1 4.18Å; F90-T95 HydrophobicContact CB-CG2 3.51Å; F90-T95 HydrophobicContact CG-CG2 4.33Å; F90-I100 HydrophobicContact CD1-CD1 3.94Å; F90-I100 HydrophobicContact CD1-CG1 4.31Å; F90-I100 HydrophobicContact CD2-CG1 4.16Å; F90-I100 HydrophobicContact CE1-CD1 3.81Å; F90-I100 HydrophobicContact CE1-CG1 4.26Å; F90-I100 HydrophobicContact CE1-CG2 4.36Å; F90-I100 HydrophobicContact CE2-CB 4.47Å; F90-I100 HydrophobicContact CE2-CG1 4.13Å; F90-I100 HydrophobicContact CE2-CG2 3.75Å; F90-I100 HydrophobicContact CG-CD1 4.38Å; F90-I100 HydrophobicContact CG-CG1 4.28Å; F90-I100 HydrophobicContact CZ-CD1 4.16Å; F90-I100 HydrophobicContact CZ-CG1 4.19Å; F90-I100 HydrophobicContact CZ-CG2 3.64Å; F90-V113 HydrophobicContact CE1-CG2 3.84Å; F90-V113 HydrophobicContact CZ-CG1 4.11Å; F90-V113 HydrophobicContact CZ-CG2 3.81Å; F90-M128 HydrophobicContact CD1-SD 3.78Å; F90-M128 HydrophobicContact CE1-CE 3.98Å; F90-M128 HydrophobicContact CE1-CG 4.29Å; F90-M128 HydrophobicContact CE1-SD 3.24Å; F90-M128 WeakPolarHBondContact CE1-SD 3.07Å; F90-M128 HydrophobicContact CE2-SD 4.48Å; F90-M128 HydrophobicContact CZ-CE 3.77Å; F90-M128 HydrophobicContact CZ-SD 3.63Å; F90-Y169 HydrophobicContact CD1-CD1 4.14Å; F90-Y169 AromaticContact CD1-CE1 3.81Å; F90-Y169 HydrophobicContact CD1-CE1 3.81Å; F90-Y169 HydrophobicContact CE1-CE1 4.49Å; F90-Y169 HydrophobicContact CG-CE1 4.47Å
91D94.1Very high76.6Confident22 Ų2291.3 Ų91.312%0.11846%0.462CS..  trans-63137.7170.7-174.1-73.1000111.3R93 V94 T95 T164 Y169D91-R93 PolarHBondContact O-N 3.39Å; D91-R93 WeakPolarHBondContact OD1-CB 3.38Å; D91-R93 WeakPolarHBondContact OD1-CG 3.47Å; D91-R93 IonicContact OD1-CZ 3.48Å; D91-R93 PolarHBondContact OD1-N 2.89Å; D91-R93 IonicContact OD1-NE 3.39Å; D91-R93 PolarHBondContact OD1-NE 3.44Å; D91-R93 IonicContact OD1-NH2 2.67Å; D91-R93 IonicContact OD2-CZ 2.64Å; D91-R93 IonicContact OD2-NE 3.7Å; D91-R93 PolarHBondContact OD2-NE 3.2Å; D91-R93 IonicContact OD2-NH2 3.94Å; D91-R93 PolarHBondContact OD2-NH2 3.1Å; D91-V94 HydrophobicContact CB-CG2 4.07Å; D91-V94 WeakPolarHBondContact O-CB 3.26Å; D91-V94 PolarHBondContact O-N 3.44Å; D91-T95 PolarHBondContact O-N 2.89Å; D91-T95 VanDerWaalsContact O-N 3.13Å; D91-T164 HydrophobicContact CB-CG2 4.36Å; D91-T164 WeakPolarHBondContact OD2-CG2 3.45Å; D91-Y169 HydrophobicContact CB-CE2 3.9Å; D91-Y169 PolarHBondContact N-OH 3.43Å
92P94.7Very high79.4Confident97 Ų9788.9 Ų88.963%0.6344%0.442SS*.Hα-helixtrans-56.2-32.1178.9-27.636.1000114.9V94 T95 A96P92-V94 VanDerWaalsContact C-N 3.32Å; P92-T95 PolarHBondContact O-N 2.67Å; P92-T95 PolarHBondContact O-OG1 2.83Å; P92-A96 WeakPolarHBondContact O-CB 2.94Å; P92-A96 PolarHBondContact O-N 3.01Å
93R96.3Very high82Confident123 Ų12380 Ų8046%0.46441%0.412SS..Hα-helixtrans-66.8-36.8177.6-59.3167.5-70.1168.2-0.7111.2D91 F162 E163D91-R93 PolarHBondContact O-N 3.39Å; D91-R93 WeakPolarHBondContact OD1-CB 3.38Å; D91-R93 WeakPolarHBondContact OD1-CG 3.47Å; D91-R93 IonicContact OD1-CZ 3.48Å; D91-R93 PolarHBondContact OD1-N 2.89Å; D91-R93 IonicContact OD1-NE 3.39Å; D91-R93 PolarHBondContact OD1-NE 3.44Å; D91-R93 IonicContact OD1-NH2 2.67Å; D91-R93 IonicContact OD2-CZ 2.64Å; D91-R93 IonicContact OD2-NE 3.7Å; D91-R93 PolarHBondContact OD2-NE 3.2Å; D91-R93 IonicContact OD2-NH2 3.94Å; D91-R93 PolarHBondContact OD2-NH2 3.1Å; R93-F162 HydrophobicContact CB-CD1 3.77Å; R93-F162 HydrophobicContact CB-CE1 3.87Å; R93-E163 PolarHBondContact NH1-O 3.5Å; R93-E163 PolarHBondContact NH2-O 3.34Å
94V96.7Very high84.3Confident0 Ų078.3 Ų78.30%040%0.398CS..Hα-helixtrans-67.8-48.6174.6179.90000110F90 D91 P92 A96 K97 Y98 I100 I126 F162 Y169F90-V94 HydrophobicContact CD1-CG1 4.18Å; D91-V94 HydrophobicContact CB-CG2 4.07Å; D91-V94 WeakPolarHBondContact O-CB 3.26Å; D91-V94 PolarHBondContact O-N 3.44Å; P92-V94 VanDerWaalsContact C-N 3.32Å; V94-A96 VanDerWaalsContact C-N 3.34Å; V94-A96 PolarHBondContact O-N 2.87Å; V94-K97 PolarHBondContact O-N 2.97Å; V94-Y98 HydrophobicContact CG1-CD2 4.48Å; V94-Y98 WeakPolarHBondContact O-CB 3.44Å; V94-Y98 PolarHBondContact O-N 2.89Å; V94-I100 HydrophobicContact CG1-CD1 4.4Å; V94-I126 HydrophobicContact CG1-CD1 3.64Å; V94-F162 HydrophobicContact CG2-CB 3.8Å; V94-F162 HydrophobicContact CG2-CD1 4Å; V94-F162 HydrophobicContact CG2-CD2 3.7Å; V94-F162 HydrophobicContact CG2-CE2 4.25Å; V94-F162 HydrophobicContact CG2-CG 3.56Å; V94-Y169 HydrophobicContact CG2-CD1 4.05Å; V94-Y169 HydrophobicContact CG2-CD2 4.25Å; V94-Y169 HydrophobicContact CG2-CG 3.92Å
95T96.2Very high86.6Confident52 Ų5275.3 Ų75.332%0.31938%0.376SS..Hα-helixtrans-75.8-18.7-176.560.50000114.2F90 D91 P92 R118F90-T95 HydrophobicContact CB-CG2 3.51Å; F90-T95 HydrophobicContact CG-CG2 4.33Å; D91-T95 PolarHBondContact O-N 2.89Å; D91-T95 VanDerWaalsContact O-N 3.13Å; P92-T95 PolarHBondContact O-N 2.67Å; P92-T95 PolarHBondContact O-OG1 2.83Å; T95-R118 PolarHBondContact O-NE 3.36Å; T95-R118 PolarHBondContact O-NH2 3.03Å
96A96.9Very high88.7Confident71 Ų7174.7 Ų74.759%0.58737%0.368SS*.Hα-helixtrans-70.1-31.4169.900000112.6P92 V94 R118P92-A96 WeakPolarHBondContact O-CB 2.94Å; P92-A96 PolarHBondContact O-N 3.01Å; V94-A96 VanDerWaalsContact C-N 3.34Å; V94-A96 PolarHBondContact O-N 2.87Å; A96-R118 WeakPolarHBondContact O-CD 3.49Å
97K97.9Very high90.3Very high72 Ų7274 Ų7431%0.31338%0.378SS..Hα-helixtrans-101.6-30.1-177.5-174.5167.8172.9-175.90114V94 H117 R118 E160 F162V94-K97 PolarHBondContact O-N 2.97Å; K97-H117 VanDerWaalsContact CE-NE2 3.25Å; K97-H117 WeakPolarHBondContact CE-NE2 3.5Å; K97-H117 WeakPolarHBondContact CG-NE2 3.38Å; K97-H117 PolarHBondContact O-CD2 3.28Å; K97-R118 WeakPolarHBondContact O-CB 3.49Å; K97-R118 WeakPolarHBondContact O-CG 3.37Å; K97-R118 PolarHBondContact O-N 3.15Å; K97-E160 WeakPolarHBondContact CE-OE1 3.47Å; K97-E160 WeakPolarHBondContact CE-OE2 3.31Å; K97-E160 IonicContact NZ-OE1 2.61Å; K97-E160 PolarHBondContact NZ-OE1 2.95Å; K97-E160 IonicContact NZ-OE2 2.7Å; K97-E160 PolarHBondContact NZ-OE2 3.4Å; K97-F162 HydrophobicContact CD-CZ 4.36Å
98Y98.1Very high91.8Very high3 Ų367 Ų671%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-121.1146.5-177.5-62.7-83.1000112.7V94 V115 E116 H117 R118 Y124 I126 E160 F162 V171V94-Y98 HydrophobicContact CG1-CD2 4.48Å; V94-Y98 WeakPolarHBondContact O-CB 3.44Å; V94-Y98 PolarHBondContact O-N 2.89Å; Y98-V115 HydrophobicContact CD1-CB 4.39Å; Y98-V115 HydrophobicContact CD1-CG2 3.6Å; Y98-V115 HydrophobicContact CE1-CG2 4.33Å; Y98-V115 HydrophobicContact CG-CG2 4.11Å; Y98-E116 WeakPolarHBondContact CA-O 3.25Å; Y98-H117 HydrophobicContact CD1-CB 4.13Å; Y98-H117 HydrophobicContact CE1-CB 3.87Å; Y98-H117 AromaticContact CE1-CD2 3.81Å; Y98-R118 PolarHBondContact O-NE 3.4Å; Y98-Y124 HydrophobicContact CD1-CD2 4.5Å; Y98-Y124 AromaticContact CE1-CD2 3.78Å; Y98-Y124 HydrophobicContact CE1-CD2 3.78Å; Y98-Y124 HydrophobicContact CE1-CE2 4.28Å; Y98-Y124 HydrophobicContact CE1-CG 4.49Å; Y98-I126 HydrophobicContact CD2-CD1 4.33Å; Y98-I126 HydrophobicContact CG-CD1 4.34Å; Y98-E160 PolarHBondContact OH-OE1 2.9Å; Y98-E160 VanDerWaalsContact OH-OE1 3.07Å; Y98-F162 HydrophobicContact CD2-CE2 4.49Å; Y98-F162 AromaticContact CE2-CE2 3.97Å; Y98-F162 HydrophobicContact CE2-CE2 3.97Å; Y98-F162 HydrophobicContact CE2-CZ 4.15Å; Y98-V171 HydrophobicContact CE1-CG1 4.06Å; Y98-V171 HydrophobicContact CE2-CG2 4Å
99D97.2Very high92.8Very high71 Ų7169 Ų6938%0.3837%0.37SS..EExtended strand (participates in β ladder)trans-98.8125.3166.3-174.726.5000109.8K101 V115 E116 R118D99-K101 WeakPolarHBondContact OD2-CE 3.49Å; D99-K101 IonicContact OD2-NZ 2.89Å; D99-K101 PolarHBondContact OD2-NZ 3.02Å; D99-V115 CarbonylContact O-C 3.28Å; D99-V115 VanDerWaalsContact O-CA 3.28Å; D99-V115 WeakPolarHBondContact O-CA 3.47Å; D99-V115 WeakPolarHBondContact O-CB 3.5Å; D99-E116 PolarHBondContact N-O 2.87Å; D99-E116 PolarHBondContact O-N 3.13Å; D99-R118 HydrophobicContact CB-CG 4.47Å
100I96.3Very high93.2Very high40 Ų4060.9 Ų60.921%0.20534%0.337CS..EExtended strand (participates in β ladder)trans-89.8119.1-171.6-50.1-57.4000109.5F90 V94 V113 V115F90-I100 HydrophobicContact CD1-CD1 3.94Å; F90-I100 HydrophobicContact CD1-CG1 4.31Å; F90-I100 HydrophobicContact CD2-CG1 4.16Å; F90-I100 HydrophobicContact CE1-CD1 3.81Å; F90-I100 HydrophobicContact CE1-CG1 4.26Å; F90-I100 HydrophobicContact CE1-CG2 4.36Å; F90-I100 HydrophobicContact CE2-CB 4.47Å; F90-I100 HydrophobicContact CE2-CG1 4.13Å; F90-I100 HydrophobicContact CE2-CG2 3.75Å; F90-I100 HydrophobicContact CG-CD1 4.38Å; F90-I100 HydrophobicContact CG-CG1 4.28Å; F90-I100 HydrophobicContact CZ-CD1 4.16Å; F90-I100 HydrophobicContact CZ-CG1 4.19Å; F90-I100 HydrophobicContact CZ-CG2 3.64Å; V94-I100 HydrophobicContact CG1-CD1 4.4Å; I100-V113 HydrophobicContact CG2-CB 4.45Å; I100-V113 HydrophobicContact CG2-CG2 4.35Å; I100-V115 HydrophobicContact CD1-CB 4.42Å; I100-V115 HydrophobicContact CD1-CG1 3.54Å
101K95.7Very high93.4Very high68 Ų6863.6 Ų63.630%0.29635%0.346SS..EExtended strand (participates in β ladder)trans-96.7-67.7-171.8-51.5-58.3-174.6166.90113.1D99 R114 E116D99-K101 WeakPolarHBondContact OD2-CE 3.49Å; D99-K101 IonicContact OD2-NZ 2.89Å; D99-K101 PolarHBondContact OD2-NZ 3.02Å; K101-R114 HydrophobicContact CB-CG 4.42Å; K101-R114 WeakPolarHBondContact CB-O 3.42Å; K101-R114 PolarHBondContact N-O 2.8Å; K101-E116 WeakPolarHBondContact CE-OE2 3.31Å; K101-E116 IonicContact NZ-OE2 2.8Å; K101-E116 PolarHBondContact NZ-OE2 2.96Å
102A94.9Very high93.4Very high41 Ų4164.1 Ų64.134%0.33935%0.35SS..EExtended strand (participates in β ladder)trans-149.4150.5-167.500000111.1V113 R114A102-V113 CarbonylContact O-C 3.56Å; A102-V113 WeakPolarHBondContact O-CA 3.46Å; A102-V113 WeakPolarHBondContact O-CB 3.23Å; A102-R114 PolarHBondContact N-O 3.21Å; A102-R114 PolarHBondContact O-N 3.23Å
103L94.6Very high93.5Very high51 Ų5159.5 Ų59.527%0.26732%0.32SS..EExtended strand (participates in β ladder)trans-74.3130.9165.6-175.678.3000109.2Y86 G105 R106 R111 V112 V113Y86-L103 HydrophobicContact CD2-CB 4.31Å; Y86-L103 HydrophobicContact CE2-CB 4Å; Y86-L103 HydrophobicContact CE2-CD1 3.98Å; Y86-L103 HydrophobicContact CE2-CD2 4.29Å; Y86-L103 HydrophobicContact CE2-CG 4.33Å; L103-G105 WeakPolarHBondContact CD1-O 3.39Å; L103-R106 HydrophobicContact CD2-CG 3.86Å; L103-R106 VanDerWaalsContact CD2-NE 3.3Å; L103-R111 HydrophobicContact CD1-CB 4.26Å; L103-V112 WeakPolarHBondContact CD1-O 3.19Å; L103-V113 HydrophobicContact CD1-CG1 4.05Å
104I92.4Very high93.6Very high87 Ų8759.3 Ų59.345%0.44632%0.32SS..EExtended strand (participates in β ladder)trans-122.1-9.7178.863.8175.3000113.5V112 R114 A125 L174I104-V112 HydrophobicContact CD1-CG1 3.88Å; I104-V112 HydrophobicContact CG1-CB 4.02Å; I104-V112 HydrophobicContact CG1-CG1 3.71Å; I104-V112 PolarHBondContact N-O 2.95Å; I104-R114 HydrophobicContact CD1-CB 4.3Å; I104-R114 HydrophobicContact CG2-CB 3.87Å; I104-A125 HydrophobicContact CD1-CB 4.4Å; I104-L174 HydrophobicContact CD1-CD1 3.66Å
105G89.4Confident93.6Very high25 Ų2559.3 Ų59.326%0.25832%0.32SS..EExtended strand (participates in β ladder)trans-162.4156.8174.300000114.1L103 V112L103-G105 WeakPolarHBondContact CD1-O 3.39Å; G105-V112 PolarHBondContact N-O 3.04Å; G105-V112 VanDerWaalsContact N-O 3.1Å; G105-V112 PolarHBondContact O-N 3.01Å
106R90.7Very high93.7Very high191 Ų19158.6 Ų58.672%0.72131%0.313SS*.EExtended strand (participates in β ladder)trans-138.2133.8173.1-58.7-173.5-170.6-158.33.9110.1L103L103-R106 HydrophobicContact CD2-CG 3.86Å; L103-R106 VanDerWaalsContact CD2-NE 3.3Å
107G84.5Confident93.8Very high41 Ų4156.7 Ų56.742%0.42329%0.292SS..  trans-121.4-178.6163.100000110.7F109 S110G107-F109 VanDerWaalsContact C-N 3.3Å; G107-F109 PolarHBondContact O-N 2.84Å; G107-S110 PolarHBondContact N-O 2.68Å; G107-S110 PolarHBondContact O-N 2.85Å; G107-S110 VanDerWaalsContact O-O 3.11Å
108S83.4Confident93.8Very high103 Ų10359.8 Ų59.872%0.7230%0.301SS*.SBendtrans-58.7-37.8-174.4-44.20000114
109F85.6Confident93.7Very high73 Ų7363.8 Ų63.832%0.3234%0.335SS..SBendtrans-123.26.6180-52.3-69000112.5G107 I129 E130 Y133 E135G107-F109 VanDerWaalsContact C-N 3.3Å; G107-F109 PolarHBondContact O-N 2.84Å; F109-I129 HydrophobicContact CB-CG2 4.48Å; F109-I129 WeakPolarHBondContact O-CA 3.43Å; F109-E130 PolarHBondContact O-N 3.11Å; F109-Y133 AromaticContact CD1-CD2 3.95Å; F109-Y133 HydrophobicContact CD1-CD2 3.95Å; F109-Y133 HydrophobicContact CE1-CD2 4.19Å; F109-Y133 HydrophobicContact CE1-CG 4.47Å; F109-E135 HydrophobicContact CD2-CB 4.28Å; F109-E135 HydrophobicContact CE2-CB 3.56Å; F109-E135 HydrophobicContact CE2-CG 4.44Å; F109-E135 HydrophobicContact CZ-CB 3.75Å; F109-E135 HydrophobicContact CZ-CG 4.29Å
110S91.6Very high93.8Very high20 Ų2064.5 Ų64.514%0.1434%0.342CS..EExtended strand (participates in β ladder)trans-136.8150.8-165.763.70000113.1G107 M128G107-S110 PolarHBondContact N-O 2.68Å; G107-S110 PolarHBondContact O-N 2.85Å; G107-S110 VanDerWaalsContact O-O 3.11Å; S110-M128 CarbonylContact C-O 3.56Å; S110-M128 WeakPolarHBondContact CA-O 3.19Å; S110-M128 WeakPolarHBondContact CB-O 3.43Å
111R93.4Very high93.8Very high84 Ų8469.8 Ų69.832%0.31736%0.359SS..EExtended strand (participates in β ladder)trans-144.9124-178.8-56.8176.876.4169.33.5109.1Y86 L103 M128Y86-R111 PolarHBondContact OH-NE 3.22Å; Y86-R111 PolarHBondContact OH-NH2 2.79Å; Y86-R111 VanDerWaalsContact OH-NH2 3.15Å; L103-R111 HydrophobicContact CD1-CB 4.26Å; R111-M128 HydrophobicContact CB-CE 3.86Å; R111-M128 PolarHBondContact N-O 3.29Å; R111-M128 PolarHBondContact O-N 3.15Å
112V95.4Very high93.9Very high33 Ų3370.5 Ų70.520%0.236%0.364CS..EExtended strand (participates in β ladder)trans-101.5127.2-179.3-166.30000109.3L103 I104 G105 A125 I126 K127L103-V112 WeakPolarHBondContact CD1-O 3.19Å; I104-V112 HydrophobicContact CD1-CG1 3.88Å; I104-V112 HydrophobicContact CG1-CB 4.02Å; I104-V112 HydrophobicContact CG1-CG1 3.71Å; I104-V112 PolarHBondContact N-O 2.95Å; G105-V112 PolarHBondContact N-O 3.04Å; G105-V112 VanDerWaalsContact N-O 3.1Å; G105-V112 PolarHBondContact O-N 3.01Å; V112-A125 HydrophobicContact CG1-CB 4.14Å; V112-I126 WeakPolarHBondContact CA-O 3.36Å; V112-K127 HydrophobicContact CG2-CB 4.28Å; V112-K127 HydrophobicContact CG2-CG 4.1Å
113V96.9Very high94Very high0 Ų070.7 Ų70.70%036%0.362CS..EExtended strand (participates in β ladder)trans-119.4141.3174.8-65.40000111.4Y86 F90 I100 A102 L103 V115 A125 I126 M128Y86-V113 HydrophobicContact CE1-CG1 3.99Å; F90-V113 HydrophobicContact CE1-CG2 3.84Å; F90-V113 HydrophobicContact CZ-CG1 4.11Å; F90-V113 HydrophobicContact CZ-CG2 3.81Å; I100-V113 HydrophobicContact CG2-CB 4.45Å; I100-V113 HydrophobicContact CG2-CG2 4.35Å; A102-V113 CarbonylContact O-C 3.56Å; A102-V113 WeakPolarHBondContact O-CA 3.46Å; A102-V113 WeakPolarHBondContact O-CB 3.23Å; L103-V113 HydrophobicContact CD1-CG1 4.05Å; V113-V115 HydrophobicContact CG2-CG1 3.84Å; V113-A125 CarbonylContact O-C 3.53Å; V113-A125 WeakPolarHBondContact O-CA 3.39Å; V113-I126 HydrophobicContact CG2-CB 3.96Å; V113-I126 PolarHBondContact N-O 3.28Å; V113-I126 PolarHBondContact O-N 2.84Å; V113-M128 HydrophobicContact CG1-CE 4.23Å
114R97.4Very high94.2Very high119 Ų11970.5 Ų70.545%0.44936%0.358SS..EExtended strand (participates in β ladder)trans-73.5131.9163.9178.8173.9178.1-179.2-0.6108.8K101 A102 I104 L174K101-R114 HydrophobicContact CB-CG 4.42Å; K101-R114 WeakPolarHBondContact CB-O 3.42Å; K101-R114 PolarHBondContact N-O 2.8Å; A102-R114 PolarHBondContact N-O 3.21Å; A102-R114 PolarHBondContact O-N 3.23Å; I104-R114 HydrophobicContact CD1-CB 4.3Å; I104-R114 HydrophobicContact CG2-CB 3.87Å; R114-L174 HydrophobicContact CG-CD1 4.4Å; R114-L174 HydrophobicContact CG-CD2 3.85Å
115V98Very high94.5Very high0 Ų066.7 Ų66.70%034%0.339CS..EExtended strand (participates in β ladder)trans-130.3170.7175.8-51.20000110.7Y98 D99 I100 V113 P123 Y124 I126Y98-V115 HydrophobicContact CD1-CB 4.39Å; Y98-V115 HydrophobicContact CD1-CG2 3.6Å; Y98-V115 HydrophobicContact CE1-CG2 4.33Å; Y98-V115 HydrophobicContact CG-CG2 4.11Å; D99-V115 CarbonylContact O-C 3.28Å; D99-V115 VanDerWaalsContact O-CA 3.28Å; D99-V115 WeakPolarHBondContact O-CA 3.47Å; D99-V115 WeakPolarHBondContact O-CB 3.5Å; I100-V115 HydrophobicContact CD1-CB 4.42Å; I100-V115 HydrophobicContact CD1-CG1 3.54Å; V113-V115 HydrophobicContact CG2-CG1 3.84Å; V115-P123 WeakPolarHBondContact O-CA 3.42Å; V115-Y124 PolarHBondContact N-O 3.28Å; V115-Y124 PolarHBondContact O-N 3.48Å; V115-I126 HydrophobicContact CB-CD1 4.43Å; V115-I126 HydrophobicContact CB-CG1 4.44Å; V115-I126 HydrophobicContact CG1-CB 4.34Å; V115-I126 HydrophobicContact CG1-CD1 3.78Å; V115-I126 HydrophobicContact CG1-CG1 3.77Å; V115-I126 HydrophobicContact CG2-CD1 3.98Å; V115-I126 HydrophobicContact CG2-CG1 3.77Å
116E98.1Very high94.9Very high38 Ų3865.5 Ų65.518%0.17833%0.327CS..EExtended strand (participates in β ladder)trans-133.7131173.8-164.8-177.2170.700108.8Y98 D99 K101 R118 R121Y98-E116 WeakPolarHBondContact CA-O 3.25Å; D99-E116 PolarHBondContact N-O 2.87Å; D99-E116 PolarHBondContact O-N 3.13Å; K101-E116 WeakPolarHBondContact CE-OE2 3.31Å; K101-E116 IonicContact NZ-OE2 2.8Å; K101-E116 PolarHBondContact NZ-OE2 2.96Å; E116-R118 PolarHBondContact O-N 3.05Å; E116-R121 VanDerWaalsContact CG-O 3.26Å; E116-R121 WeakPolarHBondContact CG-O 3.46Å; E116-R121 WeakPolarHBondContact OE1-CB 3.46Å; E116-R121 IonicContact OE1-CZ 3.14Å; E116-R121 IonicContact OE1-NE 2.7Å; E116-R121 PolarHBondContact OE1-NE 2.79Å; E116-R121 IonicContact OE1-NH2 2.77Å; E116-R121 PolarHBondContact OE1-NH2 3.31Å; E116-R121 IonicContact OE2-CZ 3.85Å; E116-R121 IonicContact OE2-NH2 3Å; E116-R121 PolarHBondContact OE2-NH2 3.28Å
117H98.2Very high95.2Very high31 Ų3156.8 Ų56.814%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-70.4124.7178.1-177.7-121.1000110.1K97 Y98 A119 T120 R121 Q122 Y124K97-H117 VanDerWaalsContact CE-NE2 3.25Å; K97-H117 WeakPolarHBondContact CE-NE2 3.5Å; K97-H117 WeakPolarHBondContact CG-NE2 3.38Å; K97-H117 PolarHBondContact O-CD2 3.28Å; Y98-H117 HydrophobicContact CD1-CB 4.13Å; Y98-H117 HydrophobicContact CE1-CB 3.87Å; Y98-H117 AromaticContact CE1-CD2 3.81Å; H117-A119 PolarHBondContact O-N 3.26Å; H117-T120 PolarHBondContact ND1-OG1 2.82Å; H117-R121 VanDerWaalsContact O-CA 3.29Å; H117-R121 WeakPolarHBondContact O-CA 3.35Å; H117-R121 PolarHBondContact O-N 2.73Å; H117-Q122 PolarHBondContact N-O 3.05Å; H117-Y124 HydrophobicContact CB-CD2 4.11Å; H117-Y124 HydrophobicContact CB-CE2 3.81Å
118R97.9Very high95.7Very high136 Ų13655.6 Ų55.651%0.51328%0.278SS..THydrogen-bonded Turntrans-59.9-41.8-167.3-77.8167167.6-106.110.2113.7T95 A96 K97 Y98 D99 E116T95-R118 PolarHBondContact O-NE 3.36Å; T95-R118 PolarHBondContact O-NH2 3.03Å; A96-R118 WeakPolarHBondContact O-CD 3.49Å; K97-R118 WeakPolarHBondContact O-CB 3.49Å; K97-R118 WeakPolarHBondContact O-CG 3.37Å; K97-R118 PolarHBondContact O-N 3.15Å; Y98-R118 PolarHBondContact O-NE 3.4Å; D99-R118 HydrophobicContact CB-CG 4.47Å; E116-R118 PolarHBondContact O-N 3.05Å
119A97.3Very high96.2Very high87 Ų8750.8 Ų50.872%0.71924%0.244SC*.THydrogen-bonded Turntrans-80.6-39.5-175.400000113.5H117H117-A119 PolarHBondContact O-N 3.26Å
120T97.7Very high96.6Very high87 Ų8749.8 Ų49.853%0.53424%0.241SC..THydrogen-bonded Turntrans-102.4-5.3-173.862.90000114.2H117 Q122H117-T120 PolarHBondContact ND1-OG1 2.82Å; T120-Q122 PolarHBondContact O-N 2.96Å; T120-Q122 WeakPolarHBondContact OG1-CB 3.28Å
121R97.5Very high96.7Very high150 Ų15049.4 Ų49.457%0.56624%0.237SC*.  trans58.98.9-173.7-49.7-52.8-54.6-145.5-3.3114.9E116 H117E116-R121 VanDerWaalsContact CG-O 3.26Å; E116-R121 WeakPolarHBondContact CG-O 3.46Å; E116-R121 WeakPolarHBondContact OE1-CB 3.46Å; E116-R121 IonicContact OE1-CZ 3.14Å; E116-R121 IonicContact OE1-NE 2.7Å; E116-R121 PolarHBondContact OE1-NE 2.79Å; E116-R121 IonicContact OE1-NH2 2.77Å; E116-R121 PolarHBondContact OE1-NH2 3.31Å; E116-R121 IonicContact OE2-CZ 3.85Å; E116-R121 IonicContact OE2-NH2 3Å; E116-R121 PolarHBondContact OE2-NH2 3.28Å; H117-R121 VanDerWaalsContact O-CA 3.29Å; H117-R121 WeakPolarHBondContact O-CA 3.35Å; H117-R121 PolarHBondContact O-N 2.73Å
122Q97.4Very high96.5Very high84 Ų8449.5 Ų49.539%0.39324%0.24SC..  trans-68.2128.2-179.3-17763.225.200110.9H117 T120 Y124H117-Q122 PolarHBondContact N-O 3.05Å; T120-Q122 PolarHBondContact O-N 2.96Å; T120-Q122 WeakPolarHBondContact OG1-CB 3.28Å; Q122-Y124 HydrophobicContact CB-CD2 4.47Å; Q122-Y124 HydrophobicContact CB-CE2 3.71Å; Q122-Y124 HydrophobicContact CG-CD2 4.26Å; Q122-Y124 HydrophobicContact CG-CE1 4.17Å; Q122-Y124 HydrophobicContact CG-CE2 3.52Å; Q122-Y124 VanDerWaalsContact CG-CZ 3.47Å; Q122-Y124 WeakPolarHBondContact CG-OH 3.42Å; Q122-Y124 VanDerWaalsContact O-CD2 3.31Å; Q122-Y124 WeakPolarHBondContact O-CD2 3.29Å
123P97.5Very high96.2Very high45 Ų4553.1 Ų53.129%0.29225%0.251SS..EExtended strand (participates in β ladder)trans-76.6142.9175.930.8-35.9000112.4V115 L174V115-P123 WeakPolarHBondContact O-CA 3.42Å; P123-L174 HydrophobicContact CB-CD2 3.9Å
124Y98.3Very high95.8Very high46 Ų4661.5 Ų61.518%0.1828%0.282CS..EExtended strand (participates in β ladder)trans-143.4166.4178.1-66.6-76.6000111.2Y98 V115 H117 Q122 V159 V171 M172Y98-Y124 HydrophobicContact CD1-CD2 4.5Å; Y98-Y124 AromaticContact CE1-CD2 3.78Å; Y98-Y124 HydrophobicContact CE1-CD2 3.78Å; Y98-Y124 HydrophobicContact CE1-CE2 4.28Å; Y98-Y124 HydrophobicContact CE1-CG 4.49Å; V115-Y124 PolarHBondContact N-O 3.28Å; V115-Y124 PolarHBondContact O-N 3.48Å; H117-Y124 HydrophobicContact CB-CD2 4.11Å; H117-Y124 HydrophobicContact CB-CE2 3.81Å; Q122-Y124 HydrophobicContact CB-CD2 4.47Å; Q122-Y124 HydrophobicContact CB-CE2 3.71Å; Q122-Y124 HydrophobicContact CG-CD2 4.26Å; Q122-Y124 HydrophobicContact CG-CE1 4.17Å; Q122-Y124 HydrophobicContact CG-CE2 3.52Å; Q122-Y124 VanDerWaalsContact CG-CZ 3.47Å; Q122-Y124 WeakPolarHBondContact CG-OH 3.42Å; Q122-Y124 VanDerWaalsContact O-CD2 3.31Å; Q122-Y124 WeakPolarHBondContact O-CD2 3.29Å; Y124-V159 HydrophobicContact CD1-CG2 3.95Å; Y124-V159 HydrophobicContact CE1-CG1 4.23Å; Y124-V159 HydrophobicContact CE1-CG2 3.72Å; Y124-V171 HydrophobicContact CD1-CG1 4.38Å; Y124-V171 HydrophobicContact CG-CG1 4.11Å; Y124-M172 WeakPolarHBondContact CB-O 3.42Å; Y124-M172 WeakPolarHBondContact CD1-O 3.43Å
125A98Very high95.3Very high7 Ų760.7 Ų60.76%0.05828%0.284CS..EExtended strand (participates in β ladder)trans-101.2146.2164.300000110.1I104 V112 V113 V171 M172 L174I104-A125 HydrophobicContact CD1-CB 4.4Å; V112-A125 HydrophobicContact CG1-CB 4.14Å; V113-A125 CarbonylContact O-C 3.53Å; V113-A125 WeakPolarHBondContact O-CA 3.39Å; A125-V171 WeakPolarHBondContact O-CA 3.28Å; A125-M172 PolarHBondContact N-O 3.39Å; A125-M172 PolarHBondContact O-N 3.43Å; A125-L174 HydrophobicContact CB-CD1 3.95Å
126I98Very high94.7Very high0 Ų060.7 Ų60.70%028%0.284CS..EExtended strand (participates in β ladder)trans-119.3114.3163.7-58.3-171.8000109.2V94 Y98 V112 V113 V115 M128 Y169 M170 V171V94-I126 HydrophobicContact CG1-CD1 3.64Å; Y98-I126 HydrophobicContact CD2-CD1 4.33Å; Y98-I126 HydrophobicContact CG-CD1 4.34Å; V112-I126 WeakPolarHBondContact CA-O 3.36Å; V113-I126 HydrophobicContact CG2-CB 3.96Å; V113-I126 PolarHBondContact N-O 3.28Å; V113-I126 PolarHBondContact O-N 2.84Å; V115-I126 HydrophobicContact CB-CD1 4.43Å; V115-I126 HydrophobicContact CB-CG1 4.44Å; V115-I126 HydrophobicContact CG1-CB 4.34Å; V115-I126 HydrophobicContact CG1-CD1 3.78Å; V115-I126 HydrophobicContact CG1-CG1 3.77Å; V115-I126 HydrophobicContact CG2-CD1 3.98Å; V115-I126 HydrophobicContact CG2-CG1 3.77Å; I126-M128 HydrophobicContact CG2-CG 4.13Å; I126-Y169 HydrophobicContact CG2-CD1 4.31Å; I126-M170 CarbonylContact C-O 3.57Å; I126-M170 VanDerWaalsContact CA-O 3.28Å; I126-M170 WeakPolarHBondContact CA-O 3.47Å; I126-V171 HydrophobicContact CD1-CG2 4.03Å; I126-V171 HydrophobicContact CG1-CB 4.47Å; I126-V171 HydrophobicContact CG1-CG1 4.37Å; I126-V171 HydrophobicContact CG1-CG2 4.06Å
127K96.8Very high94.4Very high8 Ų864.6 Ų64.64%0.03530%0.297CS..EExtended strand (participates in β ladder)trans-86.2109.2167-171.9178.5-160.7-169.80107.7V112 I129 E143 M170 M172 D239V112-K127 HydrophobicContact CG2-CB 4.28Å; V112-K127 HydrophobicContact CG2-CG 4.1Å; K127-I129 HydrophobicContact CD-CD1 4.42Å; K127-I129 HydrophobicContact CG-CG1 4.27Å; K127-E143 WeakPolarHBondContact CD-OE2 3.27Å; K127-E143 WeakPolarHBondContact CE-OE2 3.47Å; K127-E143 IonicContact NZ-OE1 3.22Å; K127-E143 PolarHBondContact NZ-OE1 3.42Å; K127-E143 IonicContact NZ-OE2 2.78Å; K127-E143 PolarHBondContact NZ-OE2 3.35Å; K127-M170 HydrophobicContact CB-CB 4.5Å; K127-M170 PolarHBondContact N-O 2.93Å; K127-M170 PolarHBondContact O-N 2.82Å; K127-M172 HydrophobicContact CB-CE 3.51Å; K127-M172 HydrophobicContact CD-CE 4.29Å; K127-D239 IonicContact NZ-OD1 2.73Å; K127-D239 PolarHBondContact NZ-OD1 3.29Å; K127-D239 IonicContact NZ-OD2 2.8Å; K127-D239 PolarHBondContact NZ-OD2 3.06Å
128M95.5Very high93.9Very high16 Ų1667.7 Ų67.78%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-87.1137.5170.3-56.4-175.1-71.500108.9F90 S110 R111 V113 I126 V168 Y169F90-M128 HydrophobicContact CD1-SD 3.78Å; F90-M128 HydrophobicContact CE1-CE 3.98Å; F90-M128 HydrophobicContact CE1-CG 4.29Å; F90-M128 HydrophobicContact CE1-SD 3.24Å; F90-M128 WeakPolarHBondContact CE1-SD 3.07Å; F90-M128 HydrophobicContact CE2-SD 4.48Å; F90-M128 HydrophobicContact CZ-CE 3.77Å; F90-M128 HydrophobicContact CZ-SD 3.63Å; S110-M128 CarbonylContact C-O 3.56Å; S110-M128 WeakPolarHBondContact CA-O 3.19Å; S110-M128 WeakPolarHBondContact CB-O 3.43Å; R111-M128 HydrophobicContact CB-CE 3.86Å; R111-M128 PolarHBondContact N-O 3.29Å; R111-M128 PolarHBondContact O-N 3.15Å; V113-M128 HydrophobicContact CG1-CE 4.23Å; I126-M128 HydrophobicContact CG2-CG 4.13Å; M128-V168 CarbonylContact C-O 3.59Å; M128-V168 WeakPolarHBondContact CA-O 3.28Å; M128-Y169 HydrophobicContact CB-CD1 4.49Å; M128-Y169 HydrophobicContact CG-CD1 3.61Å; M128-Y169 HydrophobicContact CG-CE1 3.96Å; M128-Y169 HydrophobicContact SD-CD1 3.89Å; M128-Y169 HydrophobicContact SD-CE1 3.67Å
129I94.4Very high93.4Very high2 Ų263.1 Ų63.11%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-129.4135.8172.3-50-171.1000109.6F109 K127 G136 V139 C140 R167 V168 M170F109-I129 HydrophobicContact CB-CG2 4.48Å; F109-I129 WeakPolarHBondContact O-CA 3.43Å; K127-I129 HydrophobicContact CD-CD1 4.42Å; K127-I129 HydrophobicContact CG-CG1 4.27Å; I129-G136 WeakPolarHBondContact CG2-O 3.34Å; I129-V139 HydrophobicContact CD1-CG1 4.45Å; I129-C140 HydrophobicContact CB-CB 4.4Å; I129-C140 HydrophobicContact CD1-CB 4.11Å; I129-C140 HydrophobicContact CG2-CB 4.18Å; I129-R167 VanDerWaalsContact O-CA 3.27Å; I129-R167 WeakPolarHBondContact O-CA 3.39Å; I129-V168 PolarHBondContact N-O 2.83Å; I129-V168 PolarHBondContact O-N 3.32Å; I129-M170 HydrophobicContact CD1-CE 3.56Å; I129-M170 HydrophobicContact CG1-CE 4.28Å
130E93.1Very high93.2Very high53 Ų5359.1 Ų59.125%0.24827%0.266CS..EExtended strand (participates in β ladder)trans-86.2106.7175.8-59.7-167169.800110.7F109 K132 E166F109-E130 PolarHBondContact O-N 3.11Å; E130-K132 HydrophobicContact CB-CG 4.31Å; E130-K132 WeakPolarHBondContact OE2-CE 3.09Å; E130-K132 IonicContact OE2-NZ 3.66Å; E130-K132 PolarHBondContact OE2-NZ 3.29Å; E130-E166 CarbonylContact C-O 3.53Å; E130-E166 WeakPolarHBondContact CA-O 3.27Å
131T92.9Very high92.9Very high12 Ų1259.7 Ų59.77%0.07426%0.262CS..THydrogen-bonded Turntrans-95.82.6-173.755.70000114.3Y133 R137 C140 E166 R167 V168T131-Y133 PolarHBondContact O-N 2.77Å; T131-R137 PolarHBondContact O-NE 3.08Å; T131-R137 PolarHBondContact O-NH2 3.4Å; T131-C140 HydrophobicContact CG2-CB 3.97Å; T131-E166 PolarHBondContact N-O 3.47Å; T131-E166 PolarHBondContact OG1-O 3.21Å; T131-R167 PolarHBondContact OG1-N 3.01Å; T131-V168 HydrophobicContact CG2-CB 4.47Å; T131-V168 HydrophobicContact CG2-CG2 3.94Å
132K89.7Confident92.6Very high85 Ų8553.5 Ų53.537%0.3724%0.242SC..THydrogen-bonded Turntrans-59.9-31.6164.448.9159.7172.1162.90112.9E130 E166E130-K132 HydrophobicContact CB-CG 4.31Å; E130-K132 WeakPolarHBondContact OE2-CE 3.09Å; E130-K132 IonicContact OE2-NZ 3.66Å; E130-K132 PolarHBondContact OE2-NZ 3.29Å; K132-E166 HydrophobicContact CB-CB 4.38Å; K132-E166 HydrophobicContact CB-CG 4.43Å; K132-E166 PolarHBondContact N-O 3.27Å
133Y88.9Confident92.4Very high110 Ų11049.6 Ų49.643%0.43122%0.224SC..SBendtrans-91146.6173.6-55.9-60.8000110.3F109 T131 E135 G136 R137F109-Y133 AromaticContact CD1-CD2 3.95Å; F109-Y133 HydrophobicContact CD1-CD2 3.95Å; F109-Y133 HydrophobicContact CE1-CD2 4.19Å; F109-Y133 HydrophobicContact CE1-CG 4.47Å; T131-Y133 PolarHBondContact O-N 2.77Å; Y133-E135 PolarHBondContact O-N 3.14Å; Y133-G136 PolarHBondContact O-N 3.16Å; Y133-R137 PolarHBondContact O-N 3.31Å
134R88.6Confident92.3Very high175 Ų17547.9 Ų47.966%0.6621%0.212SC*.Hα-helixtrans-63.3-45.4-176.5178.5-180168.6175.6-4111.2G136 R137 E138R134-G136 PolarHBondContact O-N 2.74Å; R134-R137 WeakPolarHBondContact O-CB 3.42Å; R134-R137 PolarHBondContact O-N 2.83Å; R134-R137 VanDerWaalsContact O-N 3.14Å; R134-E138 HydrophobicContact CG-CG 4.45Å; R134-E138 IonicContact CZ-OE1 3.16Å; R134-E138 IonicContact NE-OE1 3.79Å; R134-E138 PolarHBondContact NE-OE1 3.44Å; R134-E138 IonicContact NH2-OE1 2.67Å; R134-E138 PolarHBondContact NH2-OE1 3.16Å; R134-E138 WeakPolarHBondContact O-CG 3.49Å; R134-E138 PolarHBondContact O-N 3.36Å
135E87.1Confident92Very high102 Ų10251.4 Ų51.448%0.47723%0.225SC..Hα-helixtrans-63.4-42.2-179.3-56.180179.500111F109 Y133 R137 E138 V139F109-E135 HydrophobicContact CD2-CB 4.28Å; F109-E135 HydrophobicContact CE2-CB 3.56Å; F109-E135 HydrophobicContact CE2-CG 4.44Å; F109-E135 HydrophobicContact CZ-CB 3.75Å; F109-E135 HydrophobicContact CZ-CG 4.29Å; Y133-E135 PolarHBondContact O-N 3.14Å; E135-R137 VanDerWaalsContact C-N 3.31Å; E135-R137 PolarHBondContact O-N 3.15Å; E135-E138 PolarHBondContact O-N 2.79Å; E135-V139 WeakPolarHBondContact O-CB 3.35Å; E135-V139 VanDerWaalsContact O-CG2 3.29Å; E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.15Å
136G86.6Confident91.9Very high0 Ų051.1 Ų51.10%022%0.222CC..Hα-helixtrans-63.5-35.5174.200000112.7I129 Y133 R134 C140I129-G136 WeakPolarHBondContact CG2-O 3.34Å; Y133-G136 PolarHBondContact O-N 3.16Å; R134-G136 PolarHBondContact O-N 2.74Å; G136-C140 WeakPolarHBondContact O-CB 3.31Å; G136-C140 PolarHBondContact O-N 3.03Å
137R90.8Very high91.8Very high120 Ų12051.2 Ų51.245%0.45322%0.223SC..Hα-helixtrans-70.5-48.7174.5-167.3-179.4-54.2162.98112.4T131 Y133 R134 E135 V139 C140 E141T131-R137 PolarHBondContact O-NE 3.08Å; T131-R137 PolarHBondContact O-NH2 3.4Å; Y133-R137 PolarHBondContact O-N 3.31Å; R134-R137 WeakPolarHBondContact O-CB 3.42Å; R134-R137 PolarHBondContact O-N 2.83Å; R134-R137 VanDerWaalsContact O-N 3.14Å; E135-R137 VanDerWaalsContact C-N 3.31Å; E135-R137 PolarHBondContact O-N 3.15Å; R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 3.01Å; R137-C140 WeakPolarHBondContact O-CB 3.23Å; R137-C140 PolarHBondContact O-N 3.06Å; R137-C140 VanDerWaalsContact O-N 3.14Å; R137-E141 WeakPolarHBondContact O-CB 3.48Å; R137-E141 WeakPolarHBondContact O-CG 3.25Å; R137-E141 PolarHBondContact O-N 3.46Å
138E89Confident91.8Very high96 Ų9658.3 Ų58.345%0.44925%0.249SC..Hα-helixtrans-60-42.1179-72.2177.3175.200111.8R134 E135 S142R134-E138 HydrophobicContact CG-CG 4.45Å; R134-E138 IonicContact CZ-OE1 3.16Å; R134-E138 IonicContact NE-OE1 3.79Å; R134-E138 PolarHBondContact NE-OE1 3.44Å; R134-E138 IonicContact NH2-OE1 2.67Å; R134-E138 PolarHBondContact NH2-OE1 3.16Å; R134-E138 WeakPolarHBondContact O-CG 3.49Å; R134-E138 PolarHBondContact O-N 3.36Å; E135-E138 PolarHBondContact O-N 2.79Å; E138-S142 PolarHBondContact O-N 3.46Å; E138-S142 VanDerWaalsContact O-N 3.1Å
139V87.3Confident91.7Very high40 Ų4062.6 Ų62.624%0.24227%0.265CS..Hα-helixtrans-61.9-47.9172.3168.20000111.4I129 E135 R137 E141 S142 E143I129-V139 HydrophobicContact CD1-CG1 4.45Å; E135-V139 WeakPolarHBondContact O-CB 3.35Å; E135-V139 VanDerWaalsContact O-CG2 3.29Å; E135-V139 WeakPolarHBondContact O-CG2 3.36Å; E135-V139 PolarHBondContact O-N 3.15Å; R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 3.01Å; V139-E141 PolarHBondContact O-N 2.85Å; V139-S142 PolarHBondContact O-N 2.92Å; V139-E143 WeakPolarHBondContact O-CB 3.44Å; V139-E143 PolarHBondContact O-N 2.8Å
140C92.8Very high91.8Very high4 Ų462.8 Ų62.83%0.02727%0.266CS..Hα-helixtrans-63-40.5-179.5-175.20000112.8I129 T131 G136 R137 L144 V168 M170I129-C140 HydrophobicContact CB-CB 4.4Å; I129-C140 HydrophobicContact CD1-CB 4.11Å; I129-C140 HydrophobicContact CG2-CB 4.18Å; T131-C140 HydrophobicContact CG2-CB 3.97Å; G136-C140 WeakPolarHBondContact O-CB 3.31Å; G136-C140 PolarHBondContact O-N 3.03Å; R137-C140 WeakPolarHBondContact O-CB 3.23Å; R137-C140 PolarHBondContact O-N 3.06Å; R137-C140 VanDerWaalsContact O-N 3.14Å; C140-L144 WeakPolarHBondContact O-CB 3.4Å; C140-L144 WeakPolarHBondContact O-CG 3.21Å; C140-L144 PolarHBondContact O-N 3.49Å; C140-V168 VanDerWaalsContact SG-CB 3.54Å; C140-M170 HydrophobicContact CB-CE 4.39Å; C140-M170 VanDerWaalsContact SG-CE 3.51Å
141E91.5Very high92Very high98 Ų9870.1 Ų70.146%0.45829%0.291SS..Hα-helixtrans-65.9-41.3176.5-78.3-176.2-143.300112.2R137 V139 R145R137-E141 WeakPolarHBondContact O-CB 3.48Å; R137-E141 WeakPolarHBondContact O-CG 3.25Å; R137-E141 PolarHBondContact O-N 3.46Å; V139-E141 PolarHBondContact O-N 2.85Å; E141-R145 WeakPolarHBondContact O-CB 3.1Å; E141-R145 PolarHBondContact O-N 3.16Å; E141-R145 IonicContact OE2-NH2 2.68Å
142S89.4Confident92.2Very high21 Ų2171.8 Ų71.815%0.14730%0.298CS..Hα-helixtrans-66.3-46.6177.8-155.10000111.3E138 V139 R145 V146 A243E138-S142 PolarHBondContact O-N 3.46Å; E138-S142 VanDerWaalsContact O-N 3.1Å; V139-S142 PolarHBondContact O-N 2.92Å; S142-R145 WeakPolarHBondContact O-CB 3.32Å; S142-R145 PolarHBondContact O-N 2.96Å; S142-V146 PolarHBondContact O-N 3.39Å; S142-V146 VanDerWaalsContact O-N 3.11Å; S142-A243 PolarHBondContact OG-O 3.49Å
143E93.9Very high92.6Very high1 Ų170.4 Ų70.41%0.00530%0.303CS..Hα-helixtrans-63.4-46.1179.7-178.3162.7-144.400111.7K127 V139 R145 V146 L147 M170 F240K127-E143 WeakPolarHBondContact CD-OE2 3.27Å; K127-E143 WeakPolarHBondContact CE-OE2 3.47Å; K127-E143 IonicContact NZ-OE1 3.22Å; K127-E143 PolarHBondContact NZ-OE1 3.42Å; K127-E143 IonicContact NZ-OE2 2.78Å; K127-E143 PolarHBondContact NZ-OE2 3.35Å; V139-E143 WeakPolarHBondContact O-CB 3.44Å; V139-E143 PolarHBondContact O-N 2.8Å; E143-R145 VanDerWaalsContact C-N 3.32Å; E143-R145 PolarHBondContact O-N 3.3Å; E143-V146 PolarHBondContact O-N 2.9Å; E143-L147 HydrophobicContact CG-CD1 3.61Å; E143-L147 HydrophobicContact CG-CG 4.1Å; E143-L147 VanDerWaalsContact O-CB 3.27Å; E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 WeakPolarHBondContact O-CG 3.46Å; E143-L147 PolarHBondContact O-N 3.33Å; E143-M170 HydrophobicContact CB-CE 4.31Å; E143-M170 HydrophobicContact CG-CE 4.2Å; E143-M170 HydrophobicContact CG-SD 3.95Å; E143-F240 HydrophobicContact CG-CB 4.29Å
144L95.1Very high93Very high10 Ų1065.9 Ų65.95%0.05229%0.286CS..Hα-helixtrans-63.3-35.1174.3-76178.6000113.3C140 V146 R148 L158 V161 V168 M170C140-L144 WeakPolarHBondContact O-CB 3.4Å; C140-L144 WeakPolarHBondContact O-CG 3.21Å; C140-L144 PolarHBondContact O-N 3.49Å; L144-V146 VanDerWaalsContact C-N 3.29Å; L144-V146 PolarHBondContact O-N 3.36Å; L144-R148 VanDerWaalsContact O-CB 3.31Å; L144-R148 WeakPolarHBondContact O-CB 3.33Å; L144-R148 WeakPolarHBondContact O-CD 3.49Å; L144-R148 VanDerWaalsContact O-CG 3.25Å; L144-R148 WeakPolarHBondContact O-CG 3.44Å; L144-R148 PolarHBondContact O-N 2.94Å; L144-R148 VanDerWaalsContact O-N 3.08Å; L144-L158 HydrophobicContact CD2-CD2 4.28Å; L144-V161 HydrophobicContact CD2-CG1 4.29Å; L144-V161 HydrophobicContact CD2-CG2 3.66Å; L144-V168 HydrophobicContact CD1-CG1 4.2Å; L144-M170 HydrophobicContact CD2-CE 4.1Å; L144-M170 HydrophobicContact CD2-CG 3.97Å; L144-M170 HydrophobicContact CD2-SD 3.78Å; L144-M170 HydrophobicContact CG-CE 3.85Å; L144-M170 HydrophobicContact CG-SD 4.16Å
145R93.5Very high93.5Very high120 Ų12057.7 Ų57.745%0.45326%0.255SS..Hα-helixtrans-66.1-31.9178.6-175.3-176.6-55.7164.37.8112.1E141 S142 E143 R149 A245E141-R145 WeakPolarHBondContact O-CB 3.1Å; E141-R145 PolarHBondContact O-N 3.16Å; E141-R145 IonicContact OE2-NH2 2.68Å; S142-R145 WeakPolarHBondContact O-CB 3.32Å; S142-R145 PolarHBondContact O-N 2.96Å; E143-R145 VanDerWaalsContact C-N 3.32Å; E143-R145 PolarHBondContact O-N 3.3Å; R145-R149 VanDerWaalsContact O-CD 3.25Å; R145-R149 WeakPolarHBondContact O-CD 3.27Å; R145-R149 WeakPolarHBondContact O-CG 3.1Å; R145-A245 HydrophobicContact CG-CB 4.32Å
146V95.1Very high94Very high0 Ų053.3 Ų53.30%024%0.235CC..Hα-helixtrans-81.1-54.4171.5173.80000111.1S142 E143 L144 R148 R149 V150 L209 I214 F240 A243 A245S142-V146 PolarHBondContact O-N 3.39Å; S142-V146 VanDerWaalsContact O-N 3.11Å; E143-V146 PolarHBondContact O-N 2.9Å; L144-V146 VanDerWaalsContact C-N 3.29Å; L144-V146 PolarHBondContact O-N 3.36Å; V146-R148 PolarHBondContact O-N 3.12Å; V146-R148 VanDerWaalsContact O-N 3.15Å; V146-R149 WeakPolarHBondContact O-CA 3.24Å; V146-R149 WeakPolarHBondContact O-CB 3.36Å; V146-R149 PolarHBondContact O-N 2.78Å; V146-V150 HydrophobicContact CG1-CG1 3.89Å; V146-V150 HydrophobicContact CG1-CG2 4.42Å; V146-V150 PolarHBondContact O-N 2.95Å; V146-L209 HydrophobicContact CG1-CD2 4.39Å; V146-I214 HydrophobicContact CG1-CD1 4.17Å; V146-I214 HydrophobicContact CG1-CG2 4.05Å; V146-I214 HydrophobicContact CG2-CD1 4.46Å; V146-I214 HydrophobicContact CG2-CG2 3.72Å; V146-F240 HydrophobicContact CB-CB 4.03Å; V146-F240 HydrophobicContact CB-CD1 4.3Å; V146-F240 HydrophobicContact CB-CG 4.09Å; V146-F240 HydrophobicContact CG1-CB 4.08Å; V146-F240 HydrophobicContact CG1-CD1 3.49Å; V146-F240 VanDerWaalsContact CG1-CD1 3.49Å; V146-F240 HydrophobicContact CG1-CD2 3.98Å; V146-F240 HydrophobicContact CG1-CE1 3.81Å; V146-F240 HydrophobicContact CG1-CE2 4.29Å; V146-F240 HydrophobicContact CG1-CG 3.57Å; V146-F240 HydrophobicContact CG1-CZ 4.21Å; V146-F240 HydrophobicContact CG2-CB 4.42Å; V146-A243 HydrophobicContact CG2-CB 3.89Å; V146-A245 HydrophobicContact CG2-CB 3.99Å
147L96.3Very high94.5Very high2 Ų255.5 Ų55.51%0.0125%0.245CC..Hα-helixtrans-60.7-27.7-172.5-76.3-176.3000114.4E143 R149 V150 I156 L158 M170 M172 F240E143-L147 HydrophobicContact CG-CD1 3.61Å; E143-L147 HydrophobicContact CG-CG 4.1Å; E143-L147 VanDerWaalsContact O-CB 3.27Å; E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 WeakPolarHBondContact O-CG 3.46Å; E143-L147 PolarHBondContact O-N 3.33Å; L147-R149 VanDerWaalsContact C-N 3.31Å; L147-V150 HydrophobicContact CD2-CG2 4.38Å; L147-I156 HydrophobicContact CD2-CG2 3.97Å; L147-L158 HydrophobicContact CB-CB 3.92Å; L147-L158 HydrophobicContact CB-CD2 3.93Å; L147-L158 HydrophobicContact CB-CG 4.42Å; L147-L158 HydrophobicContact CD1-CB 4.45Å; L147-L158 HydrophobicContact CD1-CD1 4.39Å; L147-M170 HydrophobicContact CD1-SD 4.02Å; L147-M172 HydrophobicContact CD1-SD 3.8Å; L147-F240 HydrophobicContact CD2-CD2 3.57Å; L147-F240 HydrophobicContact CD2-CE2 3.76Å; L147-F240 HydrophobicContact CG-CD2 4.09Å
148R95.5Very high94.8Very high157 Ų15750.7 Ų50.759%0.59223%0.229SC*.THydrogen-bonded Turntrans-76.8-12173-70.5171.8172.1154.1-3.7114.2L144 V146 L158L144-R148 VanDerWaalsContact O-CB 3.31Å; L144-R148 WeakPolarHBondContact O-CB 3.33Å; L144-R148 WeakPolarHBondContact O-CD 3.49Å; L144-R148 VanDerWaalsContact O-CG 3.25Å; L144-R148 WeakPolarHBondContact O-CG 3.44Å; L144-R148 PolarHBondContact O-N 2.94Å; L144-R148 VanDerWaalsContact O-N 3.08Å; V146-R148 PolarHBondContact O-N 3.12Å; V146-R148 VanDerWaalsContact O-N 3.15Å; R148-L158 HydrophobicContact CG-CD2 3.94Å
149R94.7Very high95.2Very high107 Ų10749 Ų4940%0.40422%0.224SC..THydrogen-bonded Turntrans-107.9-15.7-176.6-69178.259.6-169.2-9.1114.1R145 V146 L147 L212 R246R145-R149 VanDerWaalsContact O-CD 3.25Å; R145-R149 WeakPolarHBondContact O-CD 3.27Å; R145-R149 WeakPolarHBondContact O-CG 3.1Å; V146-R149 WeakPolarHBondContact O-CA 3.24Å; V146-R149 WeakPolarHBondContact O-CB 3.36Å; V146-R149 PolarHBondContact O-N 2.78Å; L147-R149 VanDerWaalsContact C-N 3.31Å; R149-L212 PolarHBondContact NH2-O 3.28Å; R149-R246 PolarHBondContact NH1-O 2.8Å
150V96.3Very high95.7Very high5 Ų549.4 Ų49.43%0.0322%0.224CC..  trans-104.7141.1-172.6-61.50000112.4V146 L147 I155 Y208 L209 L212 I214V146-V150 HydrophobicContact CG1-CG1 3.89Å; V146-V150 HydrophobicContact CG1-CG2 4.42Å; V146-V150 PolarHBondContact O-N 2.95Å; L147-V150 HydrophobicContact CD2-CG2 4.38Å; V150-I155 HydrophobicContact CB-CG2 4.16Å; V150-I155 HydrophobicContact CG2-CG2 3.73Å; V150-Y208 HydrophobicContact CB-CE1 3.98Å; V150-Y208 HydrophobicContact CG1-CE1 4.09Å; V150-L209 HydrophobicContact CG1-CD2 3.84Å; V150-L212 HydrophobicContact CG1-CD1 4.11Å; V150-I214 HydrophobicContact CG1-CD1 3.91Å
151R96.5Very high96Very high207 Ų20751.2 Ų51.278%0.78124%0.235SC*.  trans-154.397.1171.3-178.4168.2-173.2-171.91.4108.9Y208R151-Y208 PolarHBondContact N-OH 2.89Å; R151-Y208 PolarHBondContact O-OH 2.83Å
152H98.1Very high96.3Very high47 Ų4747.8 Ų47.822%0.21822%0.218CC..  trans-146.6150.9-177.4-173.4-106.5000110.3N154 I155 Y208H152-N154 PolarHBondContact CE1-OD1 3.39Å; H152-N154 PolarHBondContact ND1-N 3.3Å; H152-N154 PolarHBondContact O-N 3.37Å; H152-I155 HydrophobicContact CB-CB 4.17Å; H152-I155 HydrophobicContact CB-CD1 3.8Å; H152-I155 HydrophobicContact CB-CG1 4.03Å; H152-I155 PolarHBondContact O-N 3.14Å; H152-Y208 HydrophobicContact CB-CD1 3.81Å; H152-Y208 HydrophobicContact CB-CD2 4.13Å; H152-Y208 HydrophobicContact CB-CE1 3.95Å; H152-Y208 HydrophobicContact CB-CE2 4.27Å; H152-Y208 HydrophobicContact CB-CG 3.89Å; H152-Y208 AromaticContact CD2-CD2 3.84Å; H152-Y208 AromaticContact CD2-CG 3.96Å; H152-Y208 AromaticContact CG-CG 3.92Å
153A97.3Very high96.5Very high57 Ų5752.2 Ų52.247%0.47124%0.237SC..THydrogen-bonded Turntrans-56.9-39.3-176.800000112.5K234A153-K234 VanDerWaalsContact O-CD 3.29Å; A153-K234 WeakPolarHBondContact O-CD 3.42Å; A153-K234 WeakPolarHBondContact O-CE 3.48Å; A153-K234 PolarHBondContact O-NZ 3.2Å
154N98.3Very high96.5Very high15 Ų1554.2 Ų54.28%0.0825%0.249CC..THydrogen-bonded Turntrans-97.821.3-175.5-53.696.2000114.1H152 M201 I235 I237H152-N154 PolarHBondContact CE1-OD1 3.39Å; H152-N154 PolarHBondContact ND1-N 3.3Å; H152-N154 PolarHBondContact O-N 3.37Å; N154-M201 VanDerWaalsContact CB-O 3.28Å; N154-M201 WeakPolarHBondContact CB-O 3.39Å; N154-M201 VanDerWaalsContact CG-O 3.27Å; N154-I235 WeakPolarHBondContact CA-O 3.38Å; N154-I235 WeakPolarHBondContact CB-O 3.47Å; N154-I235 PolarHBondContact ND2-O 2.8Å; N154-I237 WeakPolarHBondContact O-CG1 3.23Å; N154-I237 PolarHBondContact O-N 2.96Å
155I98.1Very high96.3Very high2 Ų262.9 Ų62.91%0.0129%0.289CS..BIsolated β-bridgetrans-128.6141.6177.4-65176.2000108.9V150 H152 Q157 Y208 L209 F240V150-I155 HydrophobicContact CB-CG2 4.16Å; V150-I155 HydrophobicContact CG2-CG2 3.73Å; H152-I155 HydrophobicContact CB-CB 4.17Å; H152-I155 HydrophobicContact CB-CD1 3.8Å; H152-I155 HydrophobicContact CB-CG1 4.03Å; H152-I155 PolarHBondContact O-N 3.14Å; I155-Q157 PolarHBondContact O-N 2.87Å; I155-Y208 HydrophobicContact CD1-CD1 3.46Å; I155-Y208 VanDerWaalsContact CD1-CD1 3.46Å; I155-Y208 HydrophobicContact CD1-CE1 3.98Å; I155-Y208 HydrophobicContact CD1-CG 4.4Å; I155-L209 HydrophobicContact CD1-CD1 4.24Å; I155-L209 HydrophobicContact CD1-CD2 3.87Å; I155-L209 HydrophobicContact CD1-CG 3.71Å; I155-F240 HydrophobicContact CG2-CE2 3.83Å; I155-F240 HydrophobicContact CG2-CZ 3.65Å
156I97.6Very high96.2Very high11 Ų1162.1 Ų62.16%0.05629%0.291CS..PPolyproline II helixtrans-66121.7-179.4-166.272.2000111.1L147 M172 E173 I236 I237 T238 F240L147-I156 HydrophobicContact CD2-CG2 3.97Å; I156-M172 HydrophobicContact CG1-CB 4.19Å; I156-M172 HydrophobicContact CG1-SD 4.37Å; I156-E173 HydrophobicContact CD1-CB 3.89Å; I156-I236 HydrophobicContact CB-CG2 3.71Å; I156-I236 HydrophobicContact CD1-CD1 4.49Å; I156-I236 HydrophobicContact CD1-CG2 3.95Å; I156-I236 HydrophobicContact CG1-CG2 4.46Å; I156-I236 VanDerWaalsContact N-CG2 3.28Å; I156-I237 PolarHBondContact N-O 3.37Å; I156-I237 VanDerWaalsContact N-O 3.13Å; I156-T238 HydrophobicContact CB-CG2 4.07Å; I156-T238 HydrophobicContact CG1-CG2 4.45Å; I156-T238 HydrophobicContact CG2-CG2 4.29Å; I156-F240 HydrophobicContact CG2-CE2 4.11Å
157Q97.4Very high96.2Very high45 Ų4565.6 Ų65.621%0.2130%0.304CS..PPolyproline II helixtrans-83.3125.7-178.8-173.65969.600111.1I155 M172 E173I155-Q157 PolarHBondContact O-N 2.87Å; Q157-M172 VanDerWaalsContact O-CA 3.27Å; Q157-M172 WeakPolarHBondContact O-CA 3.45Å; Q157-E173 HydrophobicContact CB-CG 3.98Å; Q157-E173 PolarHBondContact O-N 2.92Å
158L98.1Very high96.2Very high20 Ų2065.6 Ų65.611%0.10530%0.304CS..EExtended strand (participates in β ladder)trans-75.1132.8164.418074.3000109.9L144 L147 R148 V161 M170 V171 M172L144-L158 HydrophobicContact CD2-CD2 4.28Å; L147-L158 HydrophobicContact CB-CB 3.92Å; L147-L158 HydrophobicContact CB-CD2 3.93Å; L147-L158 HydrophobicContact CB-CG 4.42Å; L147-L158 HydrophobicContact CD1-CB 4.45Å; L147-L158 HydrophobicContact CD1-CD1 4.39Å; R148-L158 HydrophobicContact CG-CD2 3.94Å; L158-V161 HydrophobicContact CD1-CG2 4.03Å; L158-V161 HydrophobicContact CD2-CG2 3.91Å; L158-V161 HydrophobicContact CG-CG2 4.37Å; L158-M170 HydrophobicContact CD1-CB 3.86Å; L158-M170 HydrophobicContact CD1-CG 4.48Å; L158-V171 WeakPolarHBondContact CD1-O 3.41Å; L158-M172 HydrophobicContact CD1-CG 4.09Å
159V97.6Very high96.3Very high59 Ų5958.3 Ų58.336%0.35828%0.276SS..EExtended strand (participates in β ladder)trans-101-53-177.6-179.20000110Y124 V171Y124-V159 HydrophobicContact CD1-CG2 3.95Å; Y124-V159 HydrophobicContact CE1-CG1 4.23Å; Y124-V159 HydrophobicContact CE1-CG2 3.72Å; V159-V171 HydrophobicContact CB-CB 4.36Å; V159-V171 HydrophobicContact CB-CG1 4.26Å; V159-V171 WeakPolarHBondContact CB-O 3.44Å; V159-V171 PolarHBondContact N-O 2.88Å
160E97.4Very high96.4Very high50 Ų5053.2 Ų53.223%0.23426%0.257CS..EExtended strand (participates in β ladder)trans-161.2169.4178.260.7-166.876.500111.8K97 Y98 F162 V171K97-E160 WeakPolarHBondContact CE-OE1 3.47Å; K97-E160 WeakPolarHBondContact CE-OE2 3.31Å; K97-E160 IonicContact NZ-OE1 2.61Å; K97-E160 PolarHBondContact NZ-OE1 2.95Å; K97-E160 IonicContact NZ-OE2 2.7Å; K97-E160 PolarHBondContact NZ-OE2 3.4Å; Y98-E160 PolarHBondContact OH-OE1 2.9Å; Y98-E160 VanDerWaalsContact OH-OE1 3.07Å; E160-F162 HydrophobicContact CG-CE2 4.06Å; E160-F162 WeakPolarHBondContact OE2-CE2 3.42Å; E160-F162 VanDerWaalsContact OE2-CZ 3.23Å; E160-F162 WeakPolarHBondContact OE2-CZ 3.33Å; E160-V171 HydrophobicContact CG-CB 3.77Å; E160-V171 HydrophobicContact CG-CG1 4.49Å; E160-V171 HydrophobicContact CG-CG2 3.6Å; E160-V171 PolarHBondContact N-O 2.95Å; E160-V171 PolarHBondContact O-N 3.47Å
161V98Very high96.5Very high42 Ų4253 Ų5326%0.25526%0.256SS..EExtended strand (participates in β ladder)trans-133.4133-176.7-175.50000109.7L144 L158 V168 Y169L144-V161 HydrophobicContact CD2-CG1 4.29Å; L144-V161 HydrophobicContact CD2-CG2 3.66Å; L158-V161 HydrophobicContact CD1-CG2 4.03Å; L158-V161 HydrophobicContact CD2-CG2 3.91Å; L158-V161 HydrophobicContact CG-CG2 4.37Å; V161-V168 HydrophobicContact CG1-CG1 3.71Å; V161-Y169 WeakPolarHBondContact CA-O 3.48Å
162F97.4Very high96.6Very high26 Ų2643.8 Ų43.811%0.11422%0.222CC..EExtended strand (participates in β ladder)trans-111.8139.3164.6-55.3-103.2000109.2R93 V94 K97 Y98 E160 Y169 V171R93-F162 HydrophobicContact CB-CD1 3.77Å; R93-F162 HydrophobicContact CB-CE1 3.87Å; V94-F162 HydrophobicContact CG2-CB 3.8Å; V94-F162 HydrophobicContact CG2-CD1 4Å; V94-F162 HydrophobicContact CG2-CD2 3.7Å; V94-F162 HydrophobicContact CG2-CE2 4.25Å; V94-F162 HydrophobicContact CG2-CG 3.56Å; K97-F162 HydrophobicContact CD-CZ 4.36Å; Y98-F162 HydrophobicContact CD2-CE2 4.49Å; Y98-F162 AromaticContact CE2-CE2 3.97Å; Y98-F162 HydrophobicContact CE2-CE2 3.97Å; Y98-F162 HydrophobicContact CE2-CZ 4.15Å; E160-F162 HydrophobicContact CG-CE2 4.06Å; E160-F162 WeakPolarHBondContact OE2-CE2 3.42Å; E160-F162 VanDerWaalsContact OE2-CZ 3.23Å; E160-F162 WeakPolarHBondContact OE2-CZ 3.33Å; F162-Y169 HydrophobicContact CB-CD2 4.22Å; F162-Y169 PolarHBondContact N-O 3.31Å; F162-Y169 PolarHBondContact O-N 2.93Å; F162-V171 HydrophobicContact CD2-CG2 4.21Å; F162-V171 HydrophobicContact CE2-CG2 3.87Å
163E95.4Very high96.6Very high114 Ų11443.9 Ų43.953%0.53322%0.222SC..EExtended strand (participates in β ladder)trans-130.7138-174.4-175.9159.2-169.300110.9R93 V168R93-E163 PolarHBondContact NH1-O 3.5Å; R93-E163 PolarHBondContact NH2-O 3.34Å; E163-V168 HydrophobicContact CG-CG2 4.05Å
164T93.2Very high96.6Very high42 Ų4241.9 Ų41.926%0.25820%0.204SC..EExtended strand (participates in β ladder)trans-131.4167.7170.877.50000109.4D91 E166 R167 Y169D91-T164 HydrophobicContact CB-CG2 4.36Å; D91-T164 WeakPolarHBondContact OD2-CG2 3.45Å; T164-E166 PolarHBondContact O-N 2.88Å; T164-E166 PolarHBondContact OG1-N 2.97Å; T164-R167 PolarHBondContact N-O 2.69Å; T164-R167 PolarHBondContact O-N 2.87Å; T164-R167 PolarHBondContact OG1-N 2.7Å; T164-R167 VanDerWaalsContact OG1-N 3.13Å; T164-R167 PolarHBondContact OG1-O 2.9Å; T164-Y169 HydrophobicContact CG2-CE2 4.17Å
165Q90.9Very high96.4Very high192 Ų19242.2 Ų42.290%0.89721%0.209SC*.THydrogen-bonded Turntrans-54.5-22.4179.2-167.3172.911.400115
166E91.7Very high96.3Very high104 Ų10445.6 Ų45.649%0.48623%0.229SC..THydrogen-bonded Turntrans-123.9-8.9-179-60.3-169155.300114.8E130 T131 K132 T164E130-E166 CarbonylContact C-O 3.53Å; E130-E166 WeakPolarHBondContact CA-O 3.27Å; T131-E166 PolarHBondContact N-O 3.47Å; T131-E166 PolarHBondContact OG1-O 3.21Å; K132-E166 HydrophobicContact CB-CB 4.38Å; K132-E166 HydrophobicContact CB-CG 4.43Å; K132-E166 PolarHBondContact N-O 3.27Å; T164-E166 PolarHBondContact O-N 2.88Å; T164-E166 PolarHBondContact OG1-N 2.97Å
167R94.1Very high96.1Very high73 Ų7345.6 Ų45.628%0.27523%0.232SC..EExtended strand (participates in β ladder)trans-148.7145.4-173-61.9-174.2-169.114410.1113.6K89 I129 T131 T164 Y169K89-R167 PolarHBondContact O-NH1 3.04Å; I129-R167 VanDerWaalsContact O-CA 3.27Å; I129-R167 WeakPolarHBondContact O-CA 3.39Å; T131-R167 PolarHBondContact OG1-N 3.01Å; T164-R167 PolarHBondContact N-O 2.69Å; T164-R167 PolarHBondContact O-N 2.87Å; T164-R167 PolarHBondContact OG1-N 2.7Å; T164-R167 VanDerWaalsContact OG1-N 3.13Å; T164-R167 PolarHBondContact OG1-O 2.9Å; R167-Y169 HydrophobicContact CB-CE2 3.93Å
168V96.7Very high95.8Very high2 Ų245.1 Ų45.11%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-114.8140.1166.2175.10000109.4M128 I129 T131 C140 L144 V161 E163 M170M128-V168 CarbonylContact C-O 3.59Å; M128-V168 WeakPolarHBondContact CA-O 3.28Å; I129-V168 PolarHBondContact N-O 2.83Å; I129-V168 PolarHBondContact O-N 3.32Å; T131-V168 HydrophobicContact CG2-CB 4.47Å; T131-V168 HydrophobicContact CG2-CG2 3.94Å; C140-V168 VanDerWaalsContact SG-CB 3.54Å; L144-V168 HydrophobicContact CD1-CG1 4.2Å; V161-V168 HydrophobicContact CG1-CG1 3.71Å; E163-V168 HydrophobicContact CG-CG2 4.05Å; V168-M170 HydrophobicContact CG1-CE 4.29Å; V168-M170 HydrophobicContact CG1-CG 4.02Å
169Y97.6Very high95.6Very high4 Ų447.8 Ų47.82%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-119105.3176.2-53.6-106.4000107.9F90 D91 V94 I126 M128 V161 F162 T164 R167F90-Y169 HydrophobicContact CD1-CD1 4.14Å; F90-Y169 AromaticContact CD1-CE1 3.81Å; F90-Y169 HydrophobicContact CD1-CE1 3.81Å; F90-Y169 HydrophobicContact CE1-CE1 4.49Å; F90-Y169 HydrophobicContact CG-CE1 4.47Å; D91-Y169 HydrophobicContact CB-CE2 3.9Å; D91-Y169 PolarHBondContact N-OH 3.43Å; V94-Y169 HydrophobicContact CG2-CD1 4.05Å; V94-Y169 HydrophobicContact CG2-CD2 4.25Å; V94-Y169 HydrophobicContact CG2-CG 3.92Å; I126-Y169 HydrophobicContact CG2-CD1 4.31Å; M128-Y169 HydrophobicContact CB-CD1 4.49Å; M128-Y169 HydrophobicContact CG-CD1 3.61Å; M128-Y169 HydrophobicContact CG-CE1 3.96Å; M128-Y169 HydrophobicContact SD-CD1 3.89Å; M128-Y169 HydrophobicContact SD-CE1 3.67Å; V161-Y169 WeakPolarHBondContact CA-O 3.48Å; F162-Y169 HydrophobicContact CB-CD2 4.22Å; F162-Y169 PolarHBondContact N-O 3.31Å; F162-Y169 PolarHBondContact O-N 2.93Å; T164-Y169 HydrophobicContact CG2-CE2 4.17Å; R167-Y169 HydrophobicContact CB-CE2 3.93Å
170M97.9Very high95.3Very high0 Ų045 Ų450%023%0.234CC..EExtended strand (participates in β ladder)trans-93112.8176.8-54.8-175-15300109.2I126 K127 I129 C140 E143 L144 L147 L158 V168 M172I126-M170 CarbonylContact C-O 3.57Å; I126-M170 VanDerWaalsContact CA-O 3.28Å; I126-M170 WeakPolarHBondContact CA-O 3.47Å; K127-M170 HydrophobicContact CB-CB 4.5Å; K127-M170 PolarHBondContact N-O 2.93Å; K127-M170 PolarHBondContact O-N 2.82Å; I129-M170 HydrophobicContact CD1-CE 3.56Å; I129-M170 HydrophobicContact CG1-CE 4.28Å; C140-M170 HydrophobicContact CB-CE 4.39Å; C140-M170 VanDerWaalsContact SG-CE 3.51Å; E143-M170 HydrophobicContact CB-CE 4.31Å; E143-M170 HydrophobicContact CG-CE 4.2Å; E143-M170 HydrophobicContact CG-SD 3.95Å; L144-M170 HydrophobicContact CD2-CE 4.1Å; L144-M170 HydrophobicContact CD2-CG 3.97Å; L144-M170 HydrophobicContact CD2-SD 3.78Å; L144-M170 HydrophobicContact CG-CE 3.85Å; L144-M170 HydrophobicContact CG-SD 4.16Å; L147-M170 HydrophobicContact CD1-SD 4.02Å; L158-M170 HydrophobicContact CD1-CB 3.86Å; L158-M170 HydrophobicContact CD1-CG 4.48Å; V168-M170 HydrophobicContact CG1-CE 4.29Å; V168-M170 HydrophobicContact CG1-CG 4.02Å; M170-M172 HydrophobicContact CB-CG 4.47Å
171V98.3Very high94.7Very high0 Ų045 Ų450%023%0.234CC..EExtended strand (participates in β ladder)trans-84.4126.8172.4-169.20000108.4Y98 Y124 A125 I126 L158 V159 E160 F162Y98-V171 HydrophobicContact CE1-CG1 4.06Å; Y98-V171 HydrophobicContact CE2-CG2 4Å; Y124-V171 HydrophobicContact CD1-CG1 4.38Å; Y124-V171 HydrophobicContact CG-CG1 4.11Å; A125-V171 WeakPolarHBondContact O-CA 3.28Å; I126-V171 HydrophobicContact CD1-CG2 4.03Å; I126-V171 HydrophobicContact CG1-CB 4.47Å; I126-V171 HydrophobicContact CG1-CG1 4.37Å; I126-V171 HydrophobicContact CG1-CG2 4.06Å; L158-V171 WeakPolarHBondContact CD1-O 3.41Å; V159-V171 HydrophobicContact CB-CB 4.36Å; V159-V171 HydrophobicContact CB-CG1 4.26Å; V159-V171 WeakPolarHBondContact CB-O 3.44Å; V159-V171 PolarHBondContact N-O 2.88Å; E160-V171 HydrophobicContact CG-CB 3.77Å; E160-V171 HydrophobicContact CG-CG1 4.49Å; E160-V171 HydrophobicContact CG-CG2 3.6Å; E160-V171 PolarHBondContact N-O 2.95Å; E160-V171 PolarHBondContact O-N 3.47Å; F162-V171 HydrophobicContact CD2-CG2 4.21Å; F162-V171 HydrophobicContact CE2-CG2 3.87Å
172M98.2Very high94.2Very high14 Ų1447.7 Ų47.77%0.06925%0.247CC..EExtended strand (participates in β ladder)trans-135.1165-175.3-61.4-179.6-64.900110.9Y124 A125 K127 L147 I156 Q157 L158 M170Y124-M172 WeakPolarHBondContact CB-O 3.42Å; Y124-M172 WeakPolarHBondContact CD1-O 3.43Å; A125-M172 PolarHBondContact N-O 3.39Å; A125-M172 PolarHBondContact O-N 3.43Å; K127-M172 HydrophobicContact CB-CE 3.51Å; K127-M172 HydrophobicContact CD-CE 4.29Å; L147-M172 HydrophobicContact CD1-SD 3.8Å; I156-M172 HydrophobicContact CG1-CB 4.19Å; I156-M172 HydrophobicContact CG1-SD 4.37Å; Q157-M172 VanDerWaalsContact O-CA 3.27Å; Q157-M172 WeakPolarHBondContact O-CA 3.45Å; L158-M172 HydrophobicContact CD1-CG 4.09Å; M170-M172 HydrophobicContact CB-CG 4.47Å
173E97.1Very high93.6Very high50 Ų5048.6 Ų48.623%0.23425%0.249CC..  trans-48.2152.6164-80.3-178.9-177.700111.8I156 Q157 K234I156-E173 HydrophobicContact CD1-CB 3.89Å; Q157-E173 HydrophobicContact CB-CG 3.98Å; Q157-E173 PolarHBondContact O-N 2.92Å; E173-K234 IonicContact OE2-NZ 3.67Å
174L97.1Very high93Very high15 Ų1544.7 Ų44.78%0.07923%0.232CC..  trans-105.3109176.2-175.569.9000110.1I104 R114 P123 A125 T176I104-L174 HydrophobicContact CD1-CD1 3.66Å; R114-L174 HydrophobicContact CG-CD1 4.4Å; R114-L174 HydrophobicContact CG-CD2 3.85Å; P123-L174 HydrophobicContact CB-CD2 3.9Å; A125-L174 HydrophobicContact CB-CD1 3.95Å; L174-T176 HydrophobicContact CD2-CG2 3.66Å; L174-T176 HydrophobicContact CG-CG2 3.68Å
175A95.8Very high92.5Very high22 Ų2249 Ų4918%0.18225%0.252CS..  trans-73.1139161.500000110L225A175-L225 HydrophobicContact CB-CB 3.75Å; A175-L225 HydrophobicContact CB-CD1 3.85Å; A175-L225 HydrophobicContact CB-CG 4.48Å
176T94.8Very high92.1Very high72 Ų7244.1 Ų44.144%0.44224%0.244SC..  trans-137.3-2.6-174.359.40000114.2L174 Y226 Y227 H228L174-T176 HydrophobicContact CD2-CG2 3.66Å; L174-T176 HydrophobicContact CG-CG2 3.68Å; T176-Y226 PolarHBondContact N-O 3.46Å; T176-Y227 PolarHBondContact N-O 3.06Å; T176-Y227 PolarHBondContact OG1-O 2.87Å; T176-H228 WeakPolarHBondContact OG1-CA 3.25Å
177G92.9Very high91.3Very high11 Ų1143.8 Ų43.811%0.11324%0.241CC..SBendtrans-87.53.8-178.800000115.5Y226 H228G177-Y226 VanDerWaalsContact CA-O 3.32Å; G177-Y226 WeakPolarHBondContact CA-O 3.27Å; G177-Y226 PolarHBondContact N-O 3.14Å; G177-H228 VanDerWaalsContact CA-C 3.43Å
178G92.8Very high90.2Very high36 Ų3643.8 Ų43.837%0.37126%0.264SS..  trans84.2176.8-177.400000114.3Y226G178-Y226 PolarHBondContact O-N 3.03Å
179E93.3Very high89.2Confident76 Ų7647.3 Ų47.336%0.35529%0.288SS..BIsolated β-bridgetrans-71.5160.6172.3-64.8-178.6-153.800111.1F181 D182 R183 E222 L225E179-F181 PolarHBondContact O-N 2.98Å; E179-D182 HydrophobicContact CB-CB 4.44Å; E179-R183 PolarHBondContact O-N 3.33Å; E179-E222 WeakPolarHBondContact OE2-CA 3.42Å; E179-E222 WeakPolarHBondContact OE2-CB 2.81Å; E179-L225 HydrophobicContact CB-CD2 4.32Å; E179-L225 HydrophobicContact CG-CD2 3.63Å
180L90Very high88.5Confident0 Ų049.7 Ų49.70%030%0.299CS..Hα-helixtrans-57.4-49.3-173.6174.855.7000112.9I184 V198 L224 Y226 I235 I286 L290L180-I184 HydrophobicContact CD1-CD1 3.81Å; L180-I184 HydrophobicContact CG-CD1 4.21Å; L180-I184 VanDerWaalsContact O-CG1 3.3Å; L180-I184 WeakPolarHBondContact O-CG1 3.27Å; L180-I184 PolarHBondContact O-N 2.82Å; L180-V198 HydrophobicContact CD1-CG1 3.71Å; L180-V198 HydrophobicContact CD1-CG2 4.17Å; L180-V198 HydrophobicContact CD2-CG1 4.05Å; L180-L224 HydrophobicContact CB-CB 4.15Å; L180-L224 WeakPolarHBondContact CB-O 3.39Å; L180-L224 HydrophobicContact CD2-CB 4.27Å; L180-L224 HydrophobicContact CD2-CD1 3.83Å; L180-L224 PolarHBondContact N-O 2.99Å; L180-Y226 HydrophobicContact CD1-CE2 3.8Å; L180-I235 HydrophobicContact CD1-CD1 4.05Å; L180-I286 HydrophobicContact CD2-CG2 4.22Å; L180-L290 HydrophobicContact CD1-CD2 4.38Å; L180-L290 HydrophobicContact CD2-CD1 4.47Å; L180-L290 HydrophobicContact CD2-CD2 4.26Å; L180-L290 HydrophobicContact CG-CD2 4.37Å
181F86.6Confident88.1Confident51 Ų5153.2 Ų53.222%0.22432%0.321CS..Hα-helixtrans-79-39.3-175.3-68.7-11.4000113.4E179 R183 I184 I185 P221 I289 L290E179-F181 PolarHBondContact O-N 2.98Å; F181-R183 PolarHBondContact O-N 3.1Å; F181-I184 HydrophobicContact CD1-CD1 4.26Å; F181-I184 PolarHBondContact O-N 3.47Å; F181-I185 WeakPolarHBondContact O-CG1 3.47Å; F181-I185 PolarHBondContact O-N 3.27Å; F181-P221 HydrophobicContact CD1-CB 4.28Å; F181-P221 HydrophobicContact CD2-CB 3.72Å; F181-P221 HydrophobicContact CD2-CG 3.68Å; F181-P221 HydrophobicContact CE1-CB 4.3Å; F181-P221 HydrophobicContact CE1-CG 4.09Å; F181-P221 HydrophobicContact CE2-CB 3.77Å; F181-P221 HydrophobicContact CE2-CG 3.18Å; F181-P221 HydrophobicContact CG-CB 3.98Å; F181-P221 HydrophobicContact CG-CG 4.32Å; F181-P221 HydrophobicContact CZ-CB 4.05Å; F181-P221 HydrophobicContact CZ-CG 3.4Å; F181-P221 VanDerWaalsContact CZ-CG 3.4Å; F181-I289 HydrophobicContact CE1-CG2 4.14Å; F181-I289 HydrophobicContact CE2-CB 4.31Å; F181-I289 HydrophobicContact CE2-CD1 4.19Å; F181-I289 HydrophobicContact CE2-CG2 3.57Å; F181-I289 HydrophobicContact CZ-CB 3.73Å; F181-I289 HydrophobicContact CZ-CD1 4.05Å; F181-I289 HydrophobicContact CZ-CG1 4.5Å; F181-I289 HydrophobicContact CZ-CG2 3.33Å; F181-L290 HydrophobicContact CD1-CD2 4.4Å; F181-L290 HydrophobicContact CE1-CD2 3.87Å; F181-L290 HydrophobicContact CE1-CG 4.26Å
182D86.9Confident87.6Confident97 Ų9757.3 Ų57.352%0.51934%0.34SS..Hα-helixtrans-48.5-46.4171.9-80.60000111.5E179 A186E179-D182 HydrophobicContact CB-CB 4.44Å; D182-A186 VanDerWaalsContact O-CB 3.29Å; D182-A186 WeakPolarHBondContact O-CB 3.47Å; D182-A186 PolarHBondContact O-N 3.26Å
183R84Confident87.3Confident45 Ų4566.9 Ų66.917%0.1738%0.375CS..Hα-helixtrans-71.7-32.7-179.4-166.6-180-177.9169.90.3113.1E179 F181 A186 K187 Y226 H228 P229 G230E179-R183 PolarHBondContact O-N 3.33Å; F181-R183 PolarHBondContact O-N 3.1Å; R183-A186 PolarHBondContact O-N 3.13Å; R183-K187 WeakPolarHBondContact O-CB 3.12Å; R183-K187 PolarHBondContact O-N 3.33Å; R183-Y226 HydrophobicContact CB-CD2 3.92Å; R183-Y226 HydrophobicContact CB-CE2 3.82Å; R183-Y226 VanDerWaalsContact CD-CE2 3.48Å; R183-Y226 HydrophobicContact CG-CD2 4.24Å; R183-Y226 HydrophobicContact CG-CE2 4.16Å; R183-Y226 VanDerWaalsContact NH1-CB 3.33Å; R183-H228 PolarHBondContact NH1-O 3.5Å; R183-P229 PolarHBondContact NH2-O 3.2Å; R183-G230 VanDerWaalsContact NH2-C 3.27Å; R183-G230 PolarHBondContact NH2-O 3.49Å
184I83.6Confident87Confident33 Ų3366.8 Ų66.817%0.16938%0.376CS..Hα-helixtrans-67.1-45.7176.5-73.5172.5000110.1L180 F181 K187 F190 L290L180-I184 HydrophobicContact CD1-CD1 3.81Å; L180-I184 HydrophobicContact CG-CD1 4.21Å; L180-I184 VanDerWaalsContact O-CG1 3.3Å; L180-I184 WeakPolarHBondContact O-CG1 3.27Å; L180-I184 PolarHBondContact O-N 2.82Å; F181-I184 HydrophobicContact CD1-CD1 4.26Å; F181-I184 PolarHBondContact O-N 3.47Å; I184-K187 PolarHBondContact O-N 3.46Å; I184-F190 HydrophobicContact CB-CD2 4.45Å; I184-F190 HydrophobicContact CD1-CD1 4.2Å; I184-F190 HydrophobicContact CD1-CD2 4.05Å; I184-F190 HydrophobicContact CD1-CE1 3.77Å; I184-F190 HydrophobicContact CD1-CE2 3.6Å; I184-F190 HydrophobicContact CD1-CG 4.32Å; I184-F190 HydrophobicContact CD1-CZ 3.45Å; I184-F190 VanDerWaalsContact CD1-CZ 3.45Å; I184-F190 HydrophobicContact CG1-CD1 4.48Å; I184-F190 HydrophobicContact CG1-CD2 3.65Å; I184-F190 HydrophobicContact CG1-CE1 4.42Å; I184-F190 HydrophobicContact CG1-CE2 3.58Å; I184-F190 HydrophobicContact CG1-CG 4.11Å; I184-F190 HydrophobicContact CG1-CZ 3.99Å; I184-F190 HydrophobicContact CG2-CB 3.92Å; I184-F190 HydrophobicContact CG2-CD1 4.17Å; I184-F190 HydrophobicContact CG2-CD2 4.23Å; I184-F190 HydrophobicContact CG2-CG 3.87Å; I184-L290 HydrophobicContact CD1-CD2 3.3Å
185I82.7Confident86.7Confident132 Ų13266 Ų6668%0.67737%0.372SS*.Hα-helixtrans-58.5-50173.4-64.4163.7000109.8F181 K187 G188F181-I185 WeakPolarHBondContact O-CG1 3.47Å; F181-I185 PolarHBondContact O-N 3.27Å; I185-K187 VanDerWaalsContact C-N 3.3Å; I185-K187 PolarHBondContact O-N 3Å; I185-G188 PolarHBondContact O-N 2.87Å
186A81.5Confident86.6Confident89 Ų8967 Ų6774%0.73638%0.376SS*.Hα-helixtrans-66.3-23.5-179.400000114.8D182 R183 G188D182-A186 VanDerWaalsContact O-CB 3.29Å; D182-A186 WeakPolarHBondContact O-CB 3.47Å; D182-A186 PolarHBondContact O-N 3.26Å; R183-A186 PolarHBondContact O-N 3.13Å; A186-G188 VanDerWaalsContact C-N 3.34Å
187K76.1Confident86.6Confident98 Ų9870.7 Ų70.743%0.42638%0.382SS..Hα-helixtrans-75.6-22.5176.5-170.5-177167.7-144.60112.3R183 I184 I185 S189 D194R183-K187 WeakPolarHBondContact O-CB 3.12Å; R183-K187 PolarHBondContact O-N 3.33Å; I184-K187 PolarHBondContact O-N 3.46Å; I185-K187 VanDerWaalsContact C-N 3.3Å; I185-K187 PolarHBondContact O-N 3Å; K187-S189 WeakPolarHBondContact CD-O 3.16Å; K187-S189 WeakPolarHBondContact CE-O 3.46Å; K187-S189 WeakPolarHBondContact CG-O 3.5Å; K187-S189 PolarHBondContact NZ-O 2.94Å; K187-S189 PolarHBondContact O-N 2.76Å; K187-D194 IonicContact NZ-OD1 3.01Å; K187-D194 PolarHBondContact NZ-OD1 2.76Å; K187-D194 IonicContact NZ-OD2 3.27Å; K187-D194 PolarHBondContact NZ-OD2 3.46Å
188G70.1Confident86.7Confident73 Ų7370.5 Ų70.575%0.75338%0.378SS*.SBendtrans65.1-11.9-178.400000115.9I185 A186I185-G188 PolarHBondContact O-N 2.87Å; A186-G188 VanDerWaalsContact C-N 3.34Å
189S75.2Confident86.8Confident75 Ų7569.3 Ų69.352%0.52436%0.364SS..  trans-144.7119.9178.254.60000110.4K187K187-S189 WeakPolarHBondContact CD-O 3.16Å; K187-S189 WeakPolarHBondContact CE-O 3.46Å; K187-S189 WeakPolarHBondContact CG-O 3.5Å; K187-S189 PolarHBondContact NZ-O 2.94Å; K187-S189 PolarHBondContact O-N 2.76Å
190F84.1Confident87Confident55 Ų5571.1 Ų71.124%0.24137%0.372CS..  trans-138.5126.7-179.2-168.1-105000109.1I184 D194 A195 V198 L290I184-F190 HydrophobicContact CB-CD2 4.45Å; I184-F190 HydrophobicContact CD1-CD1 4.2Å; I184-F190 HydrophobicContact CD1-CD2 4.05Å; I184-F190 HydrophobicContact CD1-CE1 3.77Å; I184-F190 HydrophobicContact CD1-CE2 3.6Å; I184-F190 HydrophobicContact CD1-CG 4.32Å; I184-F190 HydrophobicContact CD1-CZ 3.45Å; I184-F190 VanDerWaalsContact CD1-CZ 3.45Å; I184-F190 HydrophobicContact CG1-CD1 4.48Å; I184-F190 HydrophobicContact CG1-CD2 3.65Å; I184-F190 HydrophobicContact CG1-CE1 4.42Å; I184-F190 HydrophobicContact CG1-CE2 3.58Å; I184-F190 HydrophobicContact CG1-CG 4.11Å; I184-F190 HydrophobicContact CG1-CZ 3.99Å; I184-F190 HydrophobicContact CG2-CB 3.92Å; I184-F190 HydrophobicContact CG2-CD1 4.17Å; I184-F190 HydrophobicContact CG2-CD2 4.23Å; I184-F190 HydrophobicContact CG2-CG 3.87Å; F190-D194 HydrophobicContact CD2-CB 3.5Å; F190-D194 HydrophobicContact CE1-CB 4.41Å; F190-D194 HydrophobicContact CE2-CB 3.32Å; F190-D194 HydrophobicContact CG-CB 4.15Å; F190-D194 HydrophobicContact CZ-CB 3.81Å; F190-A195 HydrophobicContact CE1-CB 3.67Å; F190-A195 HydrophobicContact CZ-CB 4.12Å; F190-V198 HydrophobicContact CE2-CG2 4.45Å; F190-V198 HydrophobicContact CZ-CG2 4.26Å; F190-L290 HydrophobicContact CE1-CB 4.4Å; F190-L290 HydrophobicContact CE1-CD2 3.8Å; F190-L290 HydrophobicContact CZ-CD2 3.91Å
191T88.9Confident87.4Confident74 Ų7472.8 Ų72.845%0.45438%0.38SS..  trans-109.3162-172.164.30000111.4R193 D194 A195T191-R193 PolarHBondContact O-N 2.84Å; T191-R193 VanDerWaalsContact O-N 3.09Å; T191-R193 PolarHBondContact OG1-N 2.05Å; T191-D194 WeakPolarHBondContact CB-OD2 3.08Å; T191-D194 PolarHBondContact N-OD2 3Å; T191-D194 WeakPolarHBondContact O-CA 3.24Å; T191-D194 WeakPolarHBondContact O-CB 3.1Å; T191-D194 PolarHBondContact O-N 3.05Å; T191-D194 PolarHBondContact OG1-N 2.94Å; T191-D194 VanDerWaalsContact OG1-N 3.13Å; T191-D194 PolarHBondContact OG1-OD2 2.93Å; T191-A195 PolarHBondContact O-N 3.04Å
192E88.9Confident88Confident85 Ų8570.4 Ų70.440%0.39737%0.37SS..Hα-helixtrans-53.9-30.6170.2-165.9-172.5119.800111.9A195 T196 L291 G335 G336E192-A195 PolarHBondContact O-N 2.86Å; E192-T196 WeakPolarHBondContact O-CB 3.36Å; E192-T196 PolarHBondContact O-N 2.9Å; E192-T196 PolarHBondContact O-OG1 3.03Å; E192-L291 HydrophobicContact CB-CD2 4.43Å; E192-L291 HydrophobicContact CG-CD2 3.83Å; E192-G335 WeakPolarHBondContact OE1-CA 3.47Å; E192-G336 PolarHBondContact OE1-N 2.9Å; E192-G336 PolarHBondContact OE2-N 3.34Å
193R90.6Very high88.5Confident215 Ų21569.4 Ų69.481%0.81136%0.364SS*.Hα-helixtrans-70.8-38.3174.9-170.5178.6-176.6-179.12.3112.8T191 R197T191-R193 PolarHBondContact O-N 2.84Å; T191-R193 VanDerWaalsContact O-N 3.09Å; T191-R193 PolarHBondContact OG1-N 2.05Å; R193-R197 PolarHBondContact O-N 3.45Å; R193-R197 VanDerWaalsContact O-N 3.15Å
194D90.6Very high89.2Confident48 Ų4870.3 Ų70.326%0.25737%0.372SS..Hα-helixtrans-65.2-46.7170.9-62.5-79.4000110.5K187 F190 T191 T196 R197 V198K187-D194 IonicContact NZ-OD1 3.01Å; K187-D194 PolarHBondContact NZ-OD1 2.76Å; K187-D194 IonicContact NZ-OD2 3.27Å; K187-D194 PolarHBondContact NZ-OD2 3.46Å; F190-D194 HydrophobicContact CD2-CB 3.5Å; F190-D194 HydrophobicContact CE1-CB 4.41Å; F190-D194 HydrophobicContact CE2-CB 3.32Å; F190-D194 HydrophobicContact CG-CB 4.15Å; F190-D194 HydrophobicContact CZ-CB 3.81Å; T191-D194 WeakPolarHBondContact CB-OD2 3.08Å; T191-D194 PolarHBondContact N-OD2 3Å; T191-D194 WeakPolarHBondContact O-CA 3.24Å; T191-D194 WeakPolarHBondContact O-CB 3.1Å; T191-D194 PolarHBondContact O-N 3.05Å; T191-D194 PolarHBondContact OG1-N 2.94Å; T191-D194 VanDerWaalsContact OG1-N 3.13Å; T191-D194 PolarHBondContact OG1-OD2 2.93Å; D194-T196 VanDerWaalsContact C-N 3.35Å; D194-T196 PolarHBondContact O-N 2.89Å; D194-R197 PolarHBondContact O-N 3.09Å; D194-R197 VanDerWaalsContact O-N 3.16Å; D194-V198 WeakPolarHBondContact O-CG2 3.11Å; D194-V198 PolarHBondContact O-N 3.13Å
195A91.9Very high89.9Confident0 Ų068.7 Ų68.70%036%0.364CS..Hα-helixtrans-56.7-47.1177.400000111.6F190 T191 E192 R197 V198 L199 L290 L291F190-A195 HydrophobicContact CE1-CB 3.67Å; F190-A195 HydrophobicContact CZ-CB 4.12Å; T191-A195 PolarHBondContact O-N 3.04Å; E192-A195 PolarHBondContact O-N 2.86Å; A195-R197 PolarHBondContact O-N 2.67Å; A195-V198 PolarHBondContact O-N 2.94Å; A195-L199 WeakPolarHBondContact O-CB 3.11Å; A195-L199 VanDerWaalsContact O-CG 3.31Å; A195-L199 WeakPolarHBondContact O-CG 3.37Å; A195-L199 PolarHBondContact O-N 2.77Å; A195-L290 HydrophobicContact CB-CB 4.2Å; A195-L291 HydrophobicContact CB-CD2 3.85Å
196T93.8Very high90.6Very high43 Ų4362.5 Ų62.526%0.26433%0.332SS..Hα-helixtrans-58.3-45.8176-59.70000111.5E192 D194 L199 Q200E192-T196 WeakPolarHBondContact O-CB 3.36Å; E192-T196 PolarHBondContact O-N 2.9Å; E192-T196 PolarHBondContact O-OG1 3.03Å; D194-T196 VanDerWaalsContact C-N 3.35Å; D194-T196 PolarHBondContact O-N 2.89Å; T196-L199 PolarHBondContact O-N 2.91Å; T196-Q200 HydrophobicContact CG2-CG 4.45Å; T196-Q200 WeakPolarHBondContact O-CB 3.44Å; T196-Q200 VanDerWaalsContact O-CG 3.27Å; T196-Q200 WeakPolarHBondContact O-CG 3.49Å; T196-Q200 PolarHBondContact O-N 2.85Å
197R93.8Very high91.4Very high149 Ų14965.4 Ų65.456%0.56232%0.324SS*.Hα-helixtrans-65.6-38.8179.8-170.1179.1-177.3169.20.6112.5R193 D194 A195 M201R193-R197 PolarHBondContact O-N 3.45Å; R193-R197 VanDerWaalsContact O-N 3.15Å; D194-R197 PolarHBondContact O-N 3.09Å; D194-R197 VanDerWaalsContact O-N 3.16Å; A195-R197 PolarHBondContact O-N 2.67Å; R197-M201 HydrophobicContact CG-CE 4.44Å; R197-M201 WeakPolarHBondContact O-CE 3.45Å; R197-M201 PolarHBondContact O-N 2.87Å
198V94.9Very high92.4Very high6 Ų663.6 Ų63.64%0.03632%0.315CS..Hα-helixtrans-61.2-53.9171.7166.70000110.1L180 F190 D194 A195 Q200 M201 V202 Y226 I235 L290L180-V198 HydrophobicContact CD1-CG1 3.71Å; L180-V198 HydrophobicContact CD1-CG2 4.17Å; L180-V198 HydrophobicContact CD2-CG1 4.05Å; F190-V198 HydrophobicContact CE2-CG2 4.45Å; F190-V198 HydrophobicContact CZ-CG2 4.26Å; D194-V198 WeakPolarHBondContact O-CG2 3.11Å; D194-V198 PolarHBondContact O-N 3.13Å; A195-V198 PolarHBondContact O-N 2.94Å; V198-Q200 VanDerWaalsContact C-N 3.33Å; V198-Q200 PolarHBondContact O-N 2.72Å; V198-M201 PolarHBondContact O-N 2.95Å; V198-M201 VanDerWaalsContact O-N 3.16Å; V198-V202 WeakPolarHBondContact O-CG2 3.42Å; V198-V202 PolarHBondContact O-N 2.9Å; V198-V202 VanDerWaalsContact O-N 3.12Å; V198-Y226 WeakPolarHBondContact CG2-OH 3.26Å; V198-I235 HydrophobicContact CG1-CG1 4.36Å; V198-L290 HydrophobicContact CG1-CD1 3.99Å
199L96.4Very high93.7Very high12 Ų1260.1 Ų60.16%0.06328%0.279CS..Hα-helixtrans-60.5-40-176.8-72.3169.2000112.3A195 T196 M201 V202 L203 A287 L290 I339A195-L199 WeakPolarHBondContact O-CB 3.11Å; A195-L199 VanDerWaalsContact O-CG 3.31Å; A195-L199 WeakPolarHBondContact O-CG 3.37Å; A195-L199 PolarHBondContact O-N 2.77Å; T196-L199 PolarHBondContact O-N 2.91Å; L199-M201 PolarHBondContact O-N 3.42Å; L199-V202 PolarHBondContact O-N 3.07Å; L199-L203 VanDerWaalsContact O-CB 3.27Å; L199-L203 WeakPolarHBondContact O-CB 3.48Å; L199-L203 WeakPolarHBondContact O-CD1 3.31Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 2.95Å; L199-A287 HydrophobicContact CD1-CB 3.69Å; L199-A287 HydrophobicContact CD2-CB 3.79Å; L199-A287 HydrophobicContact CG-CB 4.42Å; L199-L290 HydrophobicContact CD1-CD1 4.44Å; L199-L290 HydrophobicContact CD2-CD1 3.9Å; L199-L290 HydrophobicContact CG-CD1 3.92Å; L199-I339 HydrophobicContact CD1-CG2 4.07Å
200Q97.6Very high94.7Very high113 Ų11358.2 Ų58.253%0.52826%0.262SS..Hα-helixtrans-56.9-49173.9-76.1169.8-29.300112.3T196 V198 V202 L203 D204T196-Q200 HydrophobicContact CG2-CG 4.45Å; T196-Q200 WeakPolarHBondContact O-CB 3.44Å; T196-Q200 VanDerWaalsContact O-CG 3.27Å; T196-Q200 WeakPolarHBondContact O-CG 3.49Å; T196-Q200 PolarHBondContact O-N 2.85Å; V198-Q200 VanDerWaalsContact C-N 3.33Å; V198-Q200 PolarHBondContact O-N 2.72Å; Q200-V202 VanDerWaalsContact C-N 3.33Å; Q200-V202 PolarHBondContact O-N 2.86Å; Q200-L203 PolarHBondContact O-N 3.48Å; Q200-D204 PolarHBondContact O-N 3.32Å
201M97.8Very high95.2Very high35 Ų3559.8 Ų59.817%0.17229%0.285CS..Hα-helixtrans-63.1-36.3179.2-73.9-171.9-6900113.5N154 R197 V198 L199 G205 K234 I235N154-M201 VanDerWaalsContact CB-O 3.28Å; N154-M201 WeakPolarHBondContact CB-O 3.39Å; N154-M201 VanDerWaalsContact CG-O 3.27Å; R197-M201 HydrophobicContact CG-CE 4.44Å; R197-M201 WeakPolarHBondContact O-CE 3.45Å; R197-M201 PolarHBondContact O-N 2.87Å; V198-M201 PolarHBondContact O-N 2.95Å; V198-M201 VanDerWaalsContact O-N 3.16Å; L199-M201 PolarHBondContact O-N 3.42Å; M201-G205 PolarHBondContact O-N 3.1Å; M201-K234 HydrophobicContact SD-CB 4.28Å; M201-I235 HydrophobicContact CB-CB 4.32Å; M201-I235 HydrophobicContact CE-CB 4.28Å; M201-I235 HydrophobicContact CE-CG1 3.76Å
202V98Very high95.4Very high2 Ų258.9 Ų58.91%0.01228%0.277CS..Hα-helixtrans-73.4-43.6176.2-173.50000110.5V198 L199 Q200 D204 G205 V206 L224 I235 I237 L283V198-V202 WeakPolarHBondContact O-CG2 3.42Å; V198-V202 PolarHBondContact O-N 2.9Å; V198-V202 VanDerWaalsContact O-N 3.12Å; L199-V202 PolarHBondContact O-N 3.07Å; Q200-V202 VanDerWaalsContact C-N 3.33Å; Q200-V202 PolarHBondContact O-N 2.86Å; V202-D204 VanDerWaalsContact C-N 3.31Å; V202-D204 PolarHBondContact O-N 2.84Å; V202-G205 PolarHBondContact O-N 2.9Å; V202-G205 VanDerWaalsContact O-N 3.14Å; V202-V206 HydrophobicContact CG1-CG2 4.19Å; V202-V206 WeakPolarHBondContact O-CG2 3.43Å; V202-V206 PolarHBondContact O-N 3.42Å; V202-L224 HydrophobicContact CG1-CD1 4.33Å; V202-L224 HydrophobicContact CG1-CD2 3.82Å; V202-L224 HydrophobicContact CG2-CD1 4.04Å; V202-L224 HydrophobicContact CG2-CD2 3.95Å; V202-I235 HydrophobicContact CG2-CG2 3.73Å; V202-I237 HydrophobicContact CG1-CD1 4.19Å; V202-I237 HydrophobicContact CG1-CG1 4.31Å; V202-L283 HydrophobicContact CB-CD2 4.3Å; V202-L283 HydrophobicContact CG1-CD2 3.46Å; V202-L283 VanDerWaalsContact CG1-CD2 3.46Å
203L98.1Very high95.6Very high75 Ų7555.8 Ų55.839%0.39327%0.268SS..Hα-helixtrans-58-40.4176.6-78.8164.4000112.1L199 Q200 V206 R207 M280 L283L199-L203 VanDerWaalsContact O-CB 3.27Å; L199-L203 WeakPolarHBondContact O-CB 3.48Å; L199-L203 WeakPolarHBondContact O-CD1 3.31Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 2.95Å; Q200-L203 PolarHBondContact O-N 3.48Å; L203-V206 PolarHBondContact O-N 2.86Å; L203-R207 WeakPolarHBondContact O-CB 3.45Å; L203-R207 PolarHBondContact O-N 3.26Å; L203-M280 HydrophobicContact CD2-CE 3.79Å; L203-L283 HydrophobicContact CD2-CD1 3.72Å; L203-L283 HydrophobicContact CG-CD1 4.4Å
204D98.3Very high95.9Very high64 Ų6445.5 Ų45.534%0.34223%0.23SC..Hα-helixtrans-65.7-39.7175.3-85.2-39.6000112.9Q200 V202 R207 Y208Q200-D204 PolarHBondContact O-N 3.32Å; V202-D204 VanDerWaalsContact C-N 3.31Å; V202-D204 PolarHBondContact O-N 2.84Å; D204-R207 IonicContact OD1-CZ 2.69Å; D204-R207 VanDerWaalsContact OD1-CZ 3.27Å; D204-R207 IonicContact OD1-NE 2.68Å; D204-R207 PolarHBondContact OD1-NE 3.07Å; D204-R207 IonicContact OD1-NH2 3.34Å; D204-R207 PolarHBondContact OD1-NH2 3.29Å; D204-Y208 WeakPolarHBondContact O-CB 3.45Å; D204-Y208 PolarHBondContact O-N 3.32Å
205G98.3Very high96.1Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-63.7-43.5172.600000113.1M201 V202 Y208 L209M201-G205 PolarHBondContact O-N 3.1Å; V202-G205 PolarHBondContact O-N 2.9Å; V202-G205 VanDerWaalsContact O-N 3.14Å; G205-Y208 PolarHBondContact O-N 3.4Å; G205-L209 WeakPolarHBondContact O-CG 3.24Å; G205-L209 PolarHBondContact O-N 2.8Å
206V98.1Very high96.3Very high1 Ų143.5 Ų43.51%0.00622%0.219CC..Hα-helixtrans-69.3-42.6178.81740000111.4V202 L203 Y208 L209 H210 L219 I237 D279 M280 L283V202-V206 HydrophobicContact CG1-CG2 4.19Å; V202-V206 WeakPolarHBondContact O-CG2 3.43Å; V202-V206 PolarHBondContact O-N 3.42Å; L203-V206 PolarHBondContact O-N 2.86Å; V206-Y208 VanDerWaalsContact C-N 3.3Å; V206-Y208 PolarHBondContact O-N 3.01Å; V206-L209 WeakPolarHBondContact O-CB 3.27Å; V206-L209 PolarHBondContact O-N 3.2Å; V206-L209 VanDerWaalsContact O-N 3.15Å; V206-H210 VanDerWaalsContact CG1-CE1 3.41Å; V206-H210 WeakPolarHBondContact CG1-CE1 3.34Å; V206-H210 WeakPolarHBondContact CG1-NE2 3.44Å; V206-H210 WeakPolarHBondContact O-CB 3.43Å; V206-H210 PolarHBondContact O-CD2 3.15Å; V206-H210 VanDerWaalsContact O-CD2 3.27Å; V206-H210 VanDerWaalsContact O-CG 3.26Å; V206-H210 PolarHBondContact O-N 3.01Å; V206-L219 HydrophobicContact CG2-CD1 3.66Å; V206-L219 HydrophobicContact CG2-CD2 4.36Å; V206-I237 HydrophobicContact CG2-CD1 3.84Å; V206-D279 HydrophobicContact CG1-CB 4.18Å; V206-M280 HydrophobicContact CG1-SD 4.38Å; V206-L283 HydrophobicContact CB-CD1 4.28Å; V206-L283 HydrophobicContact CG1-CD1 4.18Å; V206-L283 HydrophobicContact CG2-CD1 4.15Å
207R97.7Very high96.4Very high151 Ų15143.4 Ų43.457%0.5721%0.214SC*.Hα-helixtrans-56-42.7172.4-179.4179.663.973.6-1.9111.8L203 D204 A211L203-R207 WeakPolarHBondContact O-CB 3.45Å; L203-R207 PolarHBondContact O-N 3.26Å; D204-R207 IonicContact OD1-CZ 2.69Å; D204-R207 VanDerWaalsContact OD1-CZ 3.27Å; D204-R207 IonicContact OD1-NE 2.68Å; D204-R207 PolarHBondContact OD1-NE 3.07Å; D204-R207 IonicContact OD1-NH2 3.34Å; D204-R207 PolarHBondContact OD1-NH2 3.29Å; R207-A211 WeakPolarHBondContact O-CB 3.24Å; R207-A211 PolarHBondContact O-N 3.22Å
208Y98.1Very high96.4Very high59 Ų5937.4 Ų37.423%0.23119%0.193CC..Hα-helixtrans-64.4-44.5175174.9-85.6000112.4V150 R151 H152 I155 D204 G205 V206 A211 L212V150-Y208 HydrophobicContact CB-CE1 3.98Å; V150-Y208 HydrophobicContact CG1-CE1 4.09Å; R151-Y208 PolarHBondContact N-OH 2.89Å; R151-Y208 PolarHBondContact O-OH 2.83Å; H152-Y208 HydrophobicContact CB-CD1 3.81Å; H152-Y208 HydrophobicContact CB-CD2 4.13Å; H152-Y208 HydrophobicContact CB-CE1 3.95Å; H152-Y208 HydrophobicContact CB-CE2 4.27Å; H152-Y208 HydrophobicContact CB-CG 3.89Å; H152-Y208 AromaticContact CD2-CD2 3.84Å; H152-Y208 AromaticContact CD2-CG 3.96Å; H152-Y208 AromaticContact CG-CG 3.92Å; I155-Y208 HydrophobicContact CD1-CD1 3.46Å; I155-Y208 VanDerWaalsContact CD1-CD1 3.46Å; I155-Y208 HydrophobicContact CD1-CE1 3.98Å; I155-Y208 HydrophobicContact CD1-CG 4.4Å; D204-Y208 WeakPolarHBondContact O-CB 3.45Å; D204-Y208 PolarHBondContact O-N 3.32Å; G205-Y208 PolarHBondContact O-N 3.4Å; V206-Y208 VanDerWaalsContact C-N 3.3Å; V206-Y208 PolarHBondContact O-N 3.01Å; Y208-A211 PolarHBondContact O-N 2.8Å; Y208-L212 HydrophobicContact CD1-CD1 4.14Å; Y208-L212 HydrophobicContact CE1-CD1 3.46Å; Y208-L212 VanDerWaalsContact CE1-CD1 3.46Å; Y208-L212 HydrophobicContact CE1-CG 4.46Å; Y208-L212 PolarHBondContact O-N 2.8Å
209L97.1Very high96.5Very high0 Ų037.1 Ų37.10%019%0.191CC..Hα-helixtrans-59.9-47.5175.2-71.8165.4000111.4V146 V150 I155 G205 V206 A211 L212 G213 I214 F240V146-L209 HydrophobicContact CG1-CD2 4.39Å; V150-L209 HydrophobicContact CG1-CD2 3.84Å; I155-L209 HydrophobicContact CD1-CD1 4.24Å; I155-L209 HydrophobicContact CD1-CD2 3.87Å; I155-L209 HydrophobicContact CD1-CG 3.71Å; G205-L209 WeakPolarHBondContact O-CG 3.24Å; G205-L209 PolarHBondContact O-N 2.8Å; V206-L209 WeakPolarHBondContact O-CB 3.27Å; V206-L209 PolarHBondContact O-N 3.2Å; V206-L209 VanDerWaalsContact O-N 3.15Å; L209-A211 VanDerWaalsContact C-N 3.35Å; L209-A211 PolarHBondContact O-N 2.94Å; L209-L212 PolarHBondContact O-N 2.84Å; L209-G213 PolarHBondContact O-N 3.47Å; L209-I214 CarbonylContact C-O 3.54Å; L209-I214 VanDerWaalsContact C-O 3.28Å; L209-I214 HydrophobicContact CB-CB 4.29Å; L209-I214 HydrophobicContact CD2-CB 4.18Å; L209-I214 HydrophobicContact CD2-CD1 4.45Å; L209-I214 HydrophobicContact CD2-CG2 3.9Å; L209-I214 WeakPolarHBondContact O-CA 3.29Å; L209-I214 WeakPolarHBondContact O-CB 3.33Å; L209-I214 PolarHBondContact O-N 3.33Å; L209-F240 HydrophobicContact CD1-CE1 3.79Å; L209-F240 HydrophobicContact CD1-CZ 4.31Å; L209-F240 HydrophobicContact CD2-CE1 3.63Å; L209-F240 HydrophobicContact CD2-CZ 4.06Å; L209-F240 HydrophobicContact CG-CE1 4.38Å
210H95.7Very high96.4Very high35 Ų3538 Ų3816%0.16219%0.194CC..Hα-helixtrans-63.2-40.5-177.9-70.3-167.4000111.7V206 L212 G213 I214 N276 D279V206-H210 VanDerWaalsContact CG1-CE1 3.41Å; V206-H210 WeakPolarHBondContact CG1-CE1 3.34Å; V206-H210 WeakPolarHBondContact CG1-NE2 3.44Å; V206-H210 WeakPolarHBondContact O-CB 3.43Å; V206-H210 PolarHBondContact O-CD2 3.15Å; V206-H210 VanDerWaalsContact O-CD2 3.27Å; V206-H210 VanDerWaalsContact O-CG 3.26Å; V206-H210 PolarHBondContact O-N 3.01Å; H210-L212 PolarHBondContact O-N 3.19Å; H210-G213 PolarHBondContact O-N 3.15Å; H210-I214 PolarHBondContact CD2-O 3.02Å; H210-I214 VanDerWaalsContact CD2-O 3.31Å; H210-I214 PolarHBondContact N-O 3.49Å; H210-N276 PolarHBondContact CE1-O 2.95Å; H210-N276 PolarHBondContact ND1-ND2 2.97Å; H210-D279 IonicContact CD2-OD2 3.68Å; H210-D279 IonicContact CE1-OD2 3.81Å; H210-D279 IonicContact NE2-OD2 2.78Å; H210-D279 PolarHBondContact NE2-OD2 3.13Å
211A94.6Very high96.1Very high88 Ų8832.8 Ų32.873%0.72717%0.171SC*.Hα-helixtrans-62.4-25.717400000113.7R207 Y208 L209 G213R207-A211 WeakPolarHBondContact O-CB 3.24Å; R207-A211 PolarHBondContact O-N 3.22Å; Y208-A211 PolarHBondContact O-N 2.8Å; L209-A211 VanDerWaalsContact C-N 3.35Å; L209-A211 PolarHBondContact O-N 2.94Å; A211-G213 VanDerWaalsContact C-N 3.31Å
212L93.9Very high95.8Very high55 Ų5534.5 Ų34.529%0.28818%0.178SC..THydrogen-bonded Turntrans-86.12.6172.2-66.1178000113.6R149 V150 Y208 L209 H210 I214R149-L212 PolarHBondContact NH2-O 3.28Å; V150-L212 HydrophobicContact CG1-CD1 4.11Å; Y208-L212 HydrophobicContact CD1-CD1 4.14Å; Y208-L212 HydrophobicContact CE1-CD1 3.46Å; Y208-L212 VanDerWaalsContact CE1-CD1 3.46Å; Y208-L212 HydrophobicContact CE1-CG 4.46Å; Y208-L212 PolarHBondContact O-N 2.8Å; L209-L212 PolarHBondContact O-N 2.84Å; H210-L212 PolarHBondContact O-N 3.19Å; L212-I214 VanDerWaalsContact C-N 3.33Å; L212-I214 HydrophobicContact CB-CD1 3.86Å; L212-I214 HydrophobicContact CB-CG1 3.97Å; L212-I214 HydrophobicContact CD1-CD1 4.22Å
213G93.3Very high95.6Very high20 Ų2035 Ų3521%0.20618%0.181CC..THydrogen-bonded Turntrans69.830.1-172.800000113.1L209 H210 A211 R246L209-G213 PolarHBondContact O-N 3.47Å; H210-G213 PolarHBondContact O-N 3.15Å; A211-G213 VanDerWaalsContact C-N 3.31Å; G213-R246 WeakPolarHBondContact O-CB 3.25Å; G213-R246 PolarHBondContact O-N 3.46Å
214I95.2Very high95.6Very high0 Ų031.5 Ų31.50%016%0.162CC..EExtended strand (participates in β ladder)trans-110.3134.7179.8-53.4174.7000109.1V146 V150 L209 H210 L212 S244 A245V146-I214 HydrophobicContact CG1-CD1 4.17Å; V146-I214 HydrophobicContact CG1-CG2 4.05Å; V146-I214 HydrophobicContact CG2-CD1 4.46Å; V146-I214 HydrophobicContact CG2-CG2 3.72Å; V150-I214 HydrophobicContact CG1-CD1 3.91Å; L209-I214 CarbonylContact C-O 3.54Å; L209-I214 VanDerWaalsContact C-O 3.28Å; L209-I214 HydrophobicContact CB-CB 4.29Å; L209-I214 HydrophobicContact CD2-CB 4.18Å; L209-I214 HydrophobicContact CD2-CD1 4.45Å; L209-I214 HydrophobicContact CD2-CG2 3.9Å; L209-I214 WeakPolarHBondContact O-CA 3.29Å; L209-I214 WeakPolarHBondContact O-CB 3.33Å; L209-I214 PolarHBondContact O-N 3.33Å; H210-I214 PolarHBondContact CD2-O 3.02Å; H210-I214 VanDerWaalsContact CD2-O 3.31Å; H210-I214 PolarHBondContact N-O 3.49Å; L212-I214 VanDerWaalsContact C-N 3.33Å; L212-I214 HydrophobicContact CB-CD1 3.86Å; L212-I214 HydrophobicContact CB-CG1 3.97Å; L212-I214 HydrophobicContact CD1-CD1 4.22Å; I214-S244 CarbonylContact C-O 3.46Å; I214-S244 VanDerWaalsContact CA-O 3.27Å; I214-S244 WeakPolarHBondContact CA-O 3.44Å; I214-A245 HydrophobicContact CG1-CB 4.14Å
215T95.8Very high95.5Very high5 Ų530.5 Ų30.53%0.03116%0.157CC..EExtended strand (participates in β ladder)trans-122.7134.5175.7-510000108.7R217 A243 S244 M254 N276 V278 D279T215-R217 HydrophobicContact CG2-CG 3.74Å; T215-A243 CarbonylContact O-C 3.55Å; T215-A243 VanDerWaalsContact O-CA 3.26Å; T215-A243 WeakPolarHBondContact O-CA 3.42Å; T215-A243 WeakPolarHBondContact O-CB 3.4Å; T215-S244 PolarHBondContact N-O 3.33Å; T215-S244 PolarHBondContact O-N 3.35Å; T215-M254 HydrophobicContact CG2-CE 4.07Å; T215-M254 HydrophobicContact CG2-SD 4.42Å; T215-N276 HydrophobicContact CG2-CB 4.22Å; T215-V278 HydrophobicContact CG2-CG2 3.87Å; T215-D279 WeakPolarHBondContact CA-OD2 3.28Å; T215-D279 VanDerWaalsContact CG2-OD2 3.31Å; T215-D279 WeakPolarHBondContact CG2-OD2 3.16Å
216H96.5Very high95.4Very high1 Ų131.5 Ų31.51%0.00516%0.161CC..  trans-78.3-44.2-172.6-161.2-84.7000112.6D218 L219 I237 T238 D239 F240 A243 D279H216-D218 VanDerWaalsContact ND1-C 3.34Å; H216-D218 PolarHBondContact ND1-O 3.17Å; H216-D218 PolarHBondContact O-N 3.26Å; H216-L219 HydrophobicContact CB-CD1 4.44Å; H216-L219 HydrophobicContact CB-CD2 4Å; H216-L219 HydrophobicContact CB-CG 3.82Å; H216-L219 PolarHBondContact ND1-N 2.85Å; H216-I237 WeakPolarHBondContact NE2-CG2 3.29Å; H216-T238 PolarHBondContact CE1-O 3.5Å; H216-T238 PolarHBondContact NE2-O 2.93Å; H216-D239 PolarHBondContact CE1-O 3.35Å; H216-F240 AromaticContact CD2-CD1 3.62Å; H216-F240 AromaticContact CD2-CE1 3.45Å; H216-F240 VanDerWaalsContact CD2-CE1 3.45Å; H216-F240 WeakPolarHBondContact CD2-CE1 3.13Å; H216-F240 AromaticContact NE2-CD1 3.84Å; H216-F240 AromaticContact NE2-CE1 3.84Å; H216-A243 WeakPolarHBondContact O-CA 3.39Å; H216-D279 WeakPolarHBondContact CB-OD1 3.48Å; H216-D279 PolarHBondContact N-OD1 2.87Å; H216-D279 PolarHBondContact N-OD2 3.36Å
217R95Very high95.3Very high41 Ų4134.9 Ų34.916%0.15517%0.174CC..SBendtrans62.3-2.9178.2-51.8-169.1-64.9179.8-4.5117.3T215 L242 A243 G259 Y274 V278 D279T215-R217 HydrophobicContact CG2-CG 3.74Å; R217-L242 VanDerWaalsContact CZ-O 3.25Å; R217-L242 PolarHBondContact NE-O 3.41Å; R217-L242 PolarHBondContact NH2-O 2.93Å; R217-A243 PolarHBondContact NH2-O 3.28Å; R217-G259 WeakPolarHBondContact O-CA 3.42Å; R217-Y274 VanDerWaalsContact CD-OH 3.31Å; R217-Y274 WeakPolarHBondContact CD-OH 3.12Å; R217-Y274 HydrophobicContact CG-CE2 4.46Å; R217-Y274 PolarHBondContact NH1-OH 3.39Å; R217-V278 HydrophobicContact CG-CG2 4.24Å; R217-D279 PolarHBondContact N-OD1 2.78Å
218D95.1Very high95.2Very high22 Ų2230.2 Ų30.212%0.11816%0.158CC..  trans-141.849.2171.6-159.940.5000110.5H216 N223 L242 T260H216-D218 VanDerWaalsContact ND1-C 3.34Å; H216-D218 PolarHBondContact ND1-O 3.17Å; H216-D218 PolarHBondContact O-N 3.26Å; D218-N223 PolarHBondContact O-ND2 3.06Å; D218-L242 HydrophobicContact CB-CB 4.21Å; D218-L242 HydrophobicContact CB-CD1 3.94Å; D218-T260 WeakPolarHBondContact OD1-CB 3.35Å; D218-T260 PolarHBondContact OD1-N 3.21Å; D218-T260 PolarHBondContact OD1-OG1 2.98Å
219L96.6Very high94.8Very high1 Ų132 Ų321%0.00518%0.177CC..  trans-72.9127.1170.1-73.1175.1000109.4V206 H216 I237 D279 A282 L283 I286V206-L219 HydrophobicContact CG2-CD1 3.66Å; V206-L219 HydrophobicContact CG2-CD2 4.36Å; H216-L219 HydrophobicContact CB-CD1 4.44Å; H216-L219 HydrophobicContact CB-CD2 4Å; H216-L219 HydrophobicContact CB-CG 3.82Å; H216-L219 PolarHBondContact ND1-N 2.85Å; L219-I237 HydrophobicContact CD2-CG2 3.98Å; L219-D279 HydrophobicContact CD1-CB 3.71Å; L219-A282 HydrophobicContact CB-CB 3.88Å; L219-L283 HydrophobicContact CD1-CD2 4.15Å; L219-L283 HydrophobicContact CD1-CG 4.04Å; L219-I286 HydrophobicContact CB-CD1 4.45Å
220K93.8Very high94.5Very high29 Ų2933.5 Ų33.513%0.12619%0.192CC..  trans-167.5163-177.560.1-175.7-169.4153.60110.1E222 N223 T260 Y263K220-E222 VanDerWaalsContact C-N 3.28Å; K220-E222 WeakPolarHBondContact CB-OE2 3.31Å; K220-E222 WeakPolarHBondContact CD-OE1 3.41Å; K220-E222 WeakPolarHBondContact CD-OE2 3.47Å; K220-E222 WeakPolarHBondContact CE-OE1 3.43Å; K220-E222 WeakPolarHBondContact CG-OE2 3.47Å; K220-E222 IonicContact NZ-OE1 2.73Å; K220-E222 PolarHBondContact NZ-OE1 2.99Å; K220-E222 PolarHBondContact O-N 3.14Å; K220-N223 HydrophobicContact CG-CB 4.1Å; K220-N223 PolarHBondContact O-N 3.14Å; K220-T260 HydrophobicContact CD-CG2 4.06Å; K220-T260 VanDerWaalsContact CD-OG1 3.27Å; K220-T260 WeakPolarHBondContact CD-OG1 3.48Å; K220-T260 WeakPolarHBondContact CE-OG1 3.49Å; K220-T260 PolarHBondContact NZ-OG1 2.86Å; K220-Y263 HydrophobicContact CB-CD1 4.29Å; K220-Y263 HydrophobicContact CB-CD2 3.81Å; K220-Y263 HydrophobicContact CB-CE1 4.39Å; K220-Y263 HydrophobicContact CB-CE2 3.92Å; K220-Y263 HydrophobicContact CB-CG 4.03Å
221P90.8Very high94Very high5 Ų538.4 Ų38.43%0.03223%0.225CC..G310 helixtrans-54.8-37.5-175-25.834.4000114.6F181 N223 L224 Y263F181-P221 HydrophobicContact CD1-CB 4.28Å; F181-P221 HydrophobicContact CD2-CB 3.72Å; F181-P221 HydrophobicContact CD2-CG 3.68Å; F181-P221 HydrophobicContact CE1-CB 4.3Å; F181-P221 HydrophobicContact CE1-CG 4.09Å; F181-P221 HydrophobicContact CE2-CB 3.77Å; F181-P221 HydrophobicContact CE2-CG 3.18Å; F181-P221 HydrophobicContact CG-CB 3.98Å; F181-P221 HydrophobicContact CG-CG 4.32Å; F181-P221 HydrophobicContact CZ-CB 4.05Å; F181-P221 HydrophobicContact CZ-CG 3.4Å; F181-P221 VanDerWaalsContact CZ-CG 3.4Å; P221-N223 PolarHBondContact O-N 2.85Å; P221-L224 PolarHBondContact O-N 3.41Å; P221-L224 VanDerWaalsContact O-N 3.07Å; P221-Y263 VanDerWaalsContact CD-OH 3.24Å; P221-Y263 WeakPolarHBondContact CD-OH 3.5Å; P221-Y263 HydrophobicContact CG-CE1 4.25Å; P221-Y263 WeakPolarHBondContact CG-OH 3.39Å
222E91.3Very high93.8Very high71 Ų7139.5 Ų39.533%0.33222%0.218SC..G310 helixtrans-67.4-24179.9-41.495.998.200112.3E179 K220 L224E179-E222 WeakPolarHBondContact OE2-CA 3.42Å; E179-E222 WeakPolarHBondContact OE2-CB 2.81Å; K220-E222 VanDerWaalsContact C-N 3.28Å; K220-E222 WeakPolarHBondContact CB-OE2 3.31Å; K220-E222 WeakPolarHBondContact CD-OE1 3.41Å; K220-E222 WeakPolarHBondContact CD-OE2 3.47Å; K220-E222 WeakPolarHBondContact CE-OE1 3.43Å; K220-E222 WeakPolarHBondContact CG-OE2 3.47Å; K220-E222 IonicContact NZ-OE1 2.73Å; K220-E222 PolarHBondContact NZ-OE1 2.99Å; K220-E222 PolarHBondContact O-N 3.14Å; E222-L224 VanDerWaalsContact C-N 3.35Å
223N95.4Very high93.9Very high13 Ų1337.1 Ų37.17%0.0721%0.207CC..G310 helixtrans-9410.3176.9-73.1-19.5000112.7D218 K220 P221 T238D218-N223 PolarHBondContact O-ND2 3.06Å; K220-N223 HydrophobicContact CG-CB 4.1Å; K220-N223 PolarHBondContact O-N 3.14Å; P221-N223 PolarHBondContact O-N 2.85Å; N223-T238 WeakPolarHBondContact CA-OG1 3.36Å; N223-T238 WeakPolarHBondContact CB-O 3.3Å; N223-T238 PolarHBondContact O-N 2.94Å; N223-T238 PolarHBondContact O-OG1 3Å
224L97.1Very high94Very high1 Ų138.6 Ų38.61%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-123.193.6177.8-64.7179.9000110.2L180 V202 P221 E222 I235 I237 I286L180-L224 HydrophobicContact CB-CB 4.15Å; L180-L224 WeakPolarHBondContact CB-O 3.39Å; L180-L224 HydrophobicContact CD2-CB 4.27Å; L180-L224 HydrophobicContact CD2-CD1 3.83Å; L180-L224 PolarHBondContact N-O 2.99Å; V202-L224 HydrophobicContact CG1-CD1 4.33Å; V202-L224 HydrophobicContact CG1-CD2 3.82Å; V202-L224 HydrophobicContact CG2-CD1 4.04Å; V202-L224 HydrophobicContact CG2-CD2 3.95Å; P221-L224 PolarHBondContact O-N 3.41Å; P221-L224 VanDerWaalsContact O-N 3.07Å; E222-L224 VanDerWaalsContact C-N 3.35Å; L224-I235 HydrophobicContact CB-CG2 4.34Å; L224-I235 HydrophobicContact CD2-CG2 4.28Å; L224-I237 HydrophobicContact CD2-CB 4.46Å; L224-I237 HydrophobicContact CD2-CG1 3.78Å; L224-I286 HydrophobicContact CD1-CD1 4Å; L224-I286 HydrophobicContact CD1-CG2 4.33Å
225L96.4Very high94.1Very high42 Ų4238.6 Ų38.622%0.2221%0.207CC..EExtended strand (participates in β ladder)trans-99.4142.1-175.2-54-172.1000112A175 E179 I235 I236 T238A175-L225 HydrophobicContact CB-CB 3.75Å; A175-L225 HydrophobicContact CB-CD1 3.85Å; A175-L225 HydrophobicContact CB-CG 4.48Å; E179-L225 HydrophobicContact CB-CD2 4.32Å; E179-L225 HydrophobicContact CG-CD2 3.63Å; L225-I235 CarbonylContact O-C 3.48Å; L225-I235 WeakPolarHBondContact O-CA 3.4Å; L225-I236 PolarHBondContact N-O 3.31Å; L225-I236 PolarHBondContact O-N 3.3Å; L225-T238 HydrophobicContact CD1-CG2 3.91Å; L225-T238 HydrophobicContact CG-CG2 4.02Å
226Y96.5Very high94.2Very high22 Ų2238.4 Ų38.49%0.08621%0.206CC..EExtended strand (participates in β ladder)trans-77.6135165.1-76-86.1000110.7T176 G177 G178 L180 R183 V198 H228 I235T176-Y226 PolarHBondContact N-O 3.46Å; G177-Y226 VanDerWaalsContact CA-O 3.32Å; G177-Y226 WeakPolarHBondContact CA-O 3.27Å; G177-Y226 PolarHBondContact N-O 3.14Å; G178-Y226 PolarHBondContact O-N 3.03Å; L180-Y226 HydrophobicContact CD1-CE2 3.8Å; R183-Y226 HydrophobicContact CB-CD2 3.92Å; R183-Y226 HydrophobicContact CB-CE2 3.82Å; R183-Y226 VanDerWaalsContact CD-CE2 3.48Å; R183-Y226 HydrophobicContact CG-CD2 4.24Å; R183-Y226 HydrophobicContact CG-CE2 4.16Å; R183-Y226 VanDerWaalsContact NH1-CB 3.33Å; V198-Y226 WeakPolarHBondContact CG2-OH 3.26Å; Y226-H228 PolarHBondContact O-N 3.4Å; Y226-I235 HydrophobicContact CD1-CD1 3.63Å; Y226-I235 HydrophobicContact CD1-CG1 4.32Å; Y226-I235 HydrophobicContact CD2-CD1 3.81Å; Y226-I235 HydrophobicContact CE1-CD1 3.51Å; Y226-I235 HydrophobicContact CE1-CG1 4.11Å; Y226-I235 HydrophobicContact CE2-CD1 3.68Å; Y226-I235 HydrophobicContact CG-CD1 3.8Å
227Y95.8Very high94.2Very high71 Ų7138.3 Ų38.328%0.27821%0.206SC..SBendtrans-62.6-42.2-179.8-172.9-133.5000113.2T176 S233 K234 I236T176-Y227 PolarHBondContact N-O 3.06Å; T176-Y227 PolarHBondContact OG1-O 2.87Å; Y227-S233 PolarHBondContact N-OG 2.84Å; Y227-K234 HydrophobicContact CD1-CD 4.4Å; Y227-K234 HydrophobicContact CD1-CG 4.27Å; Y227-K234 HydrophobicContact CG-CG 4.22Å; Y227-K234 PolarHBondContact N-O 2.87Å; Y227-I236 HydrophobicContact CD2-CD1 3.5Å; Y227-I236 VanDerWaalsContact CD2-CD1 3.5Å; Y227-I236 HydrophobicContact CE2-CD1 4.35Å; Y227-I236 HydrophobicContact CG-CD1 3.95Å
228H94.5Very high94.3Very high54 Ų5437.2 Ų37.225%0.2520%0.204CC..  trans-146.5161.4177.45275.4000113.5T176 G177 R183 Y226 G230 D232 S233T176-H228 WeakPolarHBondContact OG1-CA 3.25Å; G177-H228 VanDerWaalsContact CA-C 3.43Å; R183-H228 PolarHBondContact NH1-O 3.5Å; Y226-H228 PolarHBondContact O-N 3.4Å; H228-G230 VanDerWaalsContact C-N 3.25Å; H228-G230 PolarHBondContact ND1-N 2.95Å; H228-G230 PolarHBondContact O-N 2.81Å; H228-D232 IonicContact CE1-OD1 2.82Å; H228-D232 PolarHBondContact CE1-OD1 2.97Å; H228-D232 IonicContact CE1-OD2 3.83Å; H228-D232 IonicContact ND1-OD1 3.13Å; H228-S233 WeakPolarHBondContact CE1-CA 3.48Å; H228-S233 PolarHBondContact CE1-N 2.82Å; H228-S233 PolarHBondContact N-OG 2.99Å; H228-S233 WeakPolarHBondContact ND1-CB 3.42Å; H228-S233 WeakPolarHBondContact O-CB 3.5Å; H228-S233 PolarHBondContact O-OG 3.48Å
229P91.3Very high94.1Very high97 Ų9739 Ų3963%0.6321%0.213SC*.SBendtrans-71-10.5178.327.1-35.7000115.1R183R183-P229 PolarHBondContact NH2-O 3.2Å
230G90.1Very high94Very high30 Ų3038.9 Ų38.931%0.30921%0.213SC..SBendtrans-62.4143171.100000113R183 H228 D232 S233R183-G230 VanDerWaalsContact NH2-C 3.27Å; R183-G230 PolarHBondContact NH2-O 3.49Å; H228-G230 VanDerWaalsContact C-N 3.25Å; H228-G230 PolarHBondContact ND1-N 2.95Å; H228-G230 PolarHBondContact O-N 2.81Å; G230-D232 PolarHBondContact O-N 3.44Å; G230-S233 VanDerWaalsContact O-CB 3.23Å; G230-S233 WeakPolarHBondContact O-CB 3.33Å; G230-S233 PolarHBondContact O-N 2.69Å; G230-S233 VanDerWaalsContact O-N 3.1Å
231T86Confident93.8Very high139 Ų13937.9 Ų37.985%0.85321%0.21SC*.THydrogen-bonded Turntrans-66.2-17-169.946.20000115
232D89.7Confident93.7Very high110 Ų11039 Ų3959%0.58822%0.216SC*.THydrogen-bonded Turntrans-85.4-4.9176.460.4-44.1000114H228 G230 K234H228-D232 IonicContact CE1-OD1 2.82Å; H228-D232 PolarHBondContact CE1-OD1 2.97Å; H228-D232 IonicContact CE1-OD2 3.83Å; H228-D232 IonicContact ND1-OD1 3.13Å; G230-D232 PolarHBondContact O-N 3.44Å; D232-K234 PolarHBondContact O-N 2.88Å
233S94.9Very high93.7Very high6 Ų635.7 Ų35.74%0.04220%0.201CC..PPolyproline II helixtrans-54.1130.8-174.2-177.90000114.9Y227 H228 G230Y227-S233 PolarHBondContact N-OG 2.84Å; H228-S233 WeakPolarHBondContact CE1-CA 3.48Å; H228-S233 PolarHBondContact CE1-N 2.82Å; H228-S233 PolarHBondContact N-OG 2.99Å; H228-S233 WeakPolarHBondContact ND1-CB 3.42Å; H228-S233 WeakPolarHBondContact O-CB 3.5Å; H228-S233 PolarHBondContact O-OG 3.48Å; G230-S233 VanDerWaalsContact O-CB 3.23Å; G230-S233 WeakPolarHBondContact O-CB 3.33Å; G230-S233 PolarHBondContact O-N 2.69Å; G230-S233 VanDerWaalsContact O-N 3.1Å
234K95.8Very high93.5Very high51 Ų5136.3 Ų36.322%0.22221%0.206CC..PPolyproline II helixtrans-62.1152.1162.466.1176.9-170.21580112.5A153 E173 M201 Y227 D232 I236A153-K234 VanDerWaalsContact O-CD 3.29Å; A153-K234 WeakPolarHBondContact O-CD 3.42Å; A153-K234 WeakPolarHBondContact O-CE 3.48Å; A153-K234 PolarHBondContact O-NZ 3.2Å; E173-K234 IonicContact OE2-NZ 3.67Å; M201-K234 HydrophobicContact SD-CB 4.28Å; Y227-K234 HydrophobicContact CD1-CD 4.4Å; Y227-K234 HydrophobicContact CD1-CG 4.27Å; Y227-K234 HydrophobicContact CG-CG 4.22Å; Y227-K234 PolarHBondContact N-O 2.87Å; D232-K234 PolarHBondContact O-N 2.88Å; K234-I236 HydrophobicContact CD-CG1 4.44Å; K234-I236 HydrophobicContact CG-CG1 4.39Å
235I97.3Very high93.1Very high0 Ų036.9 Ų36.90%021%0.21CC..EExtended strand (participates in β ladder)trans-84.8146.3160.8-66.5-74000109.5N154 L180 V198 M201 V202 L224 L225 Y226N154-I235 WeakPolarHBondContact CA-O 3.38Å; N154-I235 WeakPolarHBondContact CB-O 3.47Å; N154-I235 PolarHBondContact ND2-O 2.8Å; L180-I235 HydrophobicContact CD1-CD1 4.05Å; V198-I235 HydrophobicContact CG1-CG1 4.36Å; M201-I235 HydrophobicContact CB-CB 4.32Å; M201-I235 HydrophobicContact CE-CB 4.28Å; M201-I235 HydrophobicContact CE-CG1 3.76Å; V202-I235 HydrophobicContact CG2-CG2 3.73Å; L224-I235 HydrophobicContact CB-CG2 4.34Å; L224-I235 HydrophobicContact CD2-CG2 4.28Å; L225-I235 CarbonylContact O-C 3.48Å; L225-I235 WeakPolarHBondContact O-CA 3.4Å; Y226-I235 HydrophobicContact CD1-CD1 3.63Å; Y226-I235 HydrophobicContact CD1-CG1 4.32Å; Y226-I235 HydrophobicContact CD2-CD1 3.81Å; Y226-I235 HydrophobicContact CE1-CD1 3.51Å; Y226-I235 HydrophobicContact CE1-CG1 4.11Å; Y226-I235 HydrophobicContact CE2-CD1 3.68Å; Y226-I235 HydrophobicContact CG-CD1 3.8Å
236I97.7Very high92.4Very high0 Ų039.1 Ų39.10%022%0.216CC..EExtended strand (participates in β ladder)trans-126.9128.8175.5-60.2-175.3000109.4I156 L225 Y227 K234 T238I156-I236 HydrophobicContact CB-CG2 3.71Å; I156-I236 HydrophobicContact CD1-CD1 4.49Å; I156-I236 HydrophobicContact CD1-CG2 3.95Å; I156-I236 HydrophobicContact CG1-CG2 4.46Å; I156-I236 VanDerWaalsContact N-CG2 3.28Å; L225-I236 PolarHBondContact N-O 3.31Å; L225-I236 PolarHBondContact O-N 3.3Å; Y227-I236 HydrophobicContact CD2-CD1 3.5Å; Y227-I236 VanDerWaalsContact CD2-CD1 3.5Å; Y227-I236 HydrophobicContact CE2-CD1 4.35Å; Y227-I236 HydrophobicContact CG-CD1 3.95Å; K234-I236 HydrophobicContact CD-CG1 4.44Å; K234-I236 HydrophobicContact CG-CG1 4.39Å; I236-T238 HydrophobicContact CG2-CG2 4.11Å
237I98.3Very high91.3Very high0 Ų045.4 Ų45.40%024%0.244CC..EExtended strand (participates in β ladder)trans-79.6133.3170.1-58166.7000109.8N154 I156 V202 V206 H216 L219 L224 F240N154-I237 WeakPolarHBondContact O-CG1 3.23Å; N154-I237 PolarHBondContact O-N 2.96Å; I156-I237 PolarHBondContact N-O 3.37Å; I156-I237 VanDerWaalsContact N-O 3.13Å; V202-I237 HydrophobicContact CG1-CD1 4.19Å; V202-I237 HydrophobicContact CG1-CG1 4.31Å; V206-I237 HydrophobicContact CG2-CD1 3.84Å; H216-I237 WeakPolarHBondContact NE2-CG2 3.29Å; L219-I237 HydrophobicContact CD2-CG2 3.98Å; L224-I237 HydrophobicContact CD2-CB 4.46Å; L224-I237 HydrophobicContact CD2-CG1 3.78Å; I237-F240 HydrophobicContact CG2-CZ 4.43Å
238T95.8Very high89.7Confident18 Ų1852.6 Ų52.611%0.1128%0.277CS..  trans-134.2164.2-17561.40000114.1I156 H216 N223 L225 I236I156-T238 HydrophobicContact CB-CG2 4.07Å; I156-T238 HydrophobicContact CG1-CG2 4.45Å; I156-T238 HydrophobicContact CG2-CG2 4.29Å; H216-T238 PolarHBondContact CE1-O 3.5Å; H216-T238 PolarHBondContact NE2-O 2.93Å; N223-T238 WeakPolarHBondContact CA-OG1 3.36Å; N223-T238 WeakPolarHBondContact CB-O 3.3Å; N223-T238 PolarHBondContact O-N 2.94Å; N223-T238 PolarHBondContact O-OG1 3Å; L225-T238 HydrophobicContact CD1-CG2 3.91Å; L225-T238 HydrophobicContact CG-CG2 4.02Å; I236-T238 HydrophobicContact CG2-CG2 4.11Å
239D91.8Very high88.3Confident58 Ų5853.9 Ų53.931%0.3130%0.304SS..  trans61.378.4178.4-151.6-22.4000116.2K127 H216 G241K127-D239 IonicContact NZ-OD1 2.73Å; K127-D239 PolarHBondContact NZ-OD1 3.29Å; K127-D239 IonicContact NZ-OD2 2.8Å; K127-D239 PolarHBondContact NZ-OD2 3.06Å; H216-D239 PolarHBondContact CE1-O 3.35Å; D239-G241 PolarHBondContact O-N 3.2Å; D239-G241 VanDerWaalsContact O-N 3.15Å; D239-G241 WeakPolarHBondContact OD1-CA 3.27Å; D239-G241 PolarHBondContact OD1-N 2.87Å
240F94.3Very high87.4Confident0 Ų052.7 Ų52.70%029%0.293CS..G310 helixtrans-77.914.9173.1-62.2-77.6000113.8E143 V146 L147 I155 I156 L209 H216 I237 L242 A243E143-F240 HydrophobicContact CG-CB 4.29Å; V146-F240 HydrophobicContact CB-CB 4.03Å; V146-F240 HydrophobicContact CB-CD1 4.3Å; V146-F240 HydrophobicContact CB-CG 4.09Å; V146-F240 HydrophobicContact CG1-CB 4.08Å; V146-F240 HydrophobicContact CG1-CD1 3.49Å; V146-F240 VanDerWaalsContact CG1-CD1 3.49Å; V146-F240 HydrophobicContact CG1-CD2 3.98Å; V146-F240 HydrophobicContact CG1-CE1 3.81Å; V146-F240 HydrophobicContact CG1-CE2 4.29Å; V146-F240 HydrophobicContact CG1-CG 3.57Å; V146-F240 HydrophobicContact CG1-CZ 4.21Å; V146-F240 HydrophobicContact CG2-CB 4.42Å; L147-F240 HydrophobicContact CD2-CD2 3.57Å; L147-F240 HydrophobicContact CD2-CE2 3.76Å; L147-F240 HydrophobicContact CG-CD2 4.09Å; I155-F240 HydrophobicContact CG2-CE2 3.83Å; I155-F240 HydrophobicContact CG2-CZ 3.65Å; I156-F240 HydrophobicContact CG2-CE2 4.11Å; L209-F240 HydrophobicContact CD1-CE1 3.79Å; L209-F240 HydrophobicContact CD1-CZ 4.31Å; L209-F240 HydrophobicContact CD2-CE1 3.63Å; L209-F240 HydrophobicContact CD2-CZ 4.06Å; L209-F240 HydrophobicContact CG-CE1 4.38Å; H216-F240 AromaticContact CD2-CD1 3.62Å; H216-F240 AromaticContact CD2-CE1 3.45Å; H216-F240 VanDerWaalsContact CD2-CE1 3.45Å; H216-F240 WeakPolarHBondContact CD2-CE1 3.13Å; H216-F240 AromaticContact NE2-CD1 3.84Å; H216-F240 AromaticContact NE2-CE1 3.84Å; I237-F240 HydrophobicContact CG2-CZ 4.43Å; F240-L242 PolarHBondContact O-N 2.83Å; F240-L242 VanDerWaalsContact O-N 3.14Å; F240-A243 HydrophobicContact CB-CB 3.91Å; F240-A243 HydrophobicContact CD1-CB 4.04Å; F240-A243 HydrophobicContact CG-CB 4.5Å; F240-A243 VanDerWaalsContact O-CB 3.25Å; F240-A243 WeakPolarHBondContact O-CB 3.24Å; F240-A243 PolarHBondContact O-N 3.05Å
241G88.3Confident86.5Confident7 Ų755.5 Ų55.57%0.07230%0.3CS..G310 helixtrans-62.4-19.2-177.200000115.3D239D239-G241 PolarHBondContact O-N 3.2Å; D239-G241 VanDerWaalsContact O-N 3.15Å; D239-G241 WeakPolarHBondContact OD1-CA 3.27Å; D239-G241 PolarHBondContact OD1-N 2.87Å
242L88.6Confident85.9Confident30 Ų3051.4 Ų51.416%0.15728%0.277CS..G310 helixtrans-110.23171.9-67.8-177000113.8R217 D218 F240 C258R217-L242 VanDerWaalsContact CZ-O 3.25Å; R217-L242 PolarHBondContact NE-O 3.41Å; R217-L242 PolarHBondContact NH2-O 2.93Å; D218-L242 HydrophobicContact CB-CB 4.21Å; D218-L242 HydrophobicContact CB-CD1 3.94Å; F240-L242 PolarHBondContact O-N 2.83Å; F240-L242 VanDerWaalsContact O-N 3.14Å; L242-C258 HydrophobicContact CD2-CB 4.48Å
243A92.3Very high85.6Confident1 Ų149.5 Ų49.51%0.00827%0.266CS..  trans-62.5161.6-17700000112.7S142 V146 T215 H216 R217 F240S142-A243 PolarHBondContact OG-O 3.49Å; V146-A243 HydrophobicContact CG2-CB 3.89Å; T215-A243 CarbonylContact O-C 3.55Å; T215-A243 VanDerWaalsContact O-CA 3.26Å; T215-A243 WeakPolarHBondContact O-CA 3.42Å; T215-A243 WeakPolarHBondContact O-CB 3.4Å; H216-A243 WeakPolarHBondContact O-CA 3.39Å; R217-A243 PolarHBondContact NH2-O 3.28Å; F240-A243 HydrophobicContact CB-CB 3.91Å; F240-A243 HydrophobicContact CD1-CB 4.04Å; F240-A243 HydrophobicContact CG-CB 4.5Å; F240-A243 VanDerWaalsContact O-CB 3.25Å; F240-A243 WeakPolarHBondContact O-CB 3.24Å; F240-A243 PolarHBondContact O-N 3.05Å
244S90.9Very high85.1Confident26 Ų2650 Ų5018%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-121.9130.5170.4-1760000108.5I214 T215 M254I214-S244 CarbonylContact C-O 3.46Å; I214-S244 VanDerWaalsContact CA-O 3.27Å; I214-S244 WeakPolarHBondContact CA-O 3.44Å; T215-S244 PolarHBondContact N-O 3.33Å; T215-S244 PolarHBondContact O-N 3.35Å; S244-M254 WeakPolarHBondContact CB-SD 3.19Å; S244-M254 PolarHBondContact OG-SD 3.46Å
245A88.2Confident84.4Confident12 Ų1254.3 Ų54.310%0.09929%0.287CS..EExtended strand (participates in β ladder)trans-125.3103.317900000109.3R145 V146 I214R145-A245 HydrophobicContact CG-CB 4.32Å; V146-A245 HydrophobicContact CG2-CB 3.99Å; I214-A245 HydrophobicContact CG1-CB 4.14Å
246R82.2Confident83.6Confident90 Ų9058.1 Ų58.134%0.3431%0.31SS..  trans-62.8145.2-179.7-65.2173.368.4-156.5-1.3111R149 G213 D250 D251 C252R149-R246 PolarHBondContact NH1-O 2.8Å; G213-R246 WeakPolarHBondContact O-CB 3.25Å; G213-R246 PolarHBondContact O-N 3.46Å; R246-D250 HydrophobicContact CB-CB 4.4Å; R246-D250 PolarHBondContact NH2-O 2.99Å; R246-D251 PolarHBondContact NE-O 3.46Å; R246-D251 PolarHBondContact NH2-O 3.34Å; R246-C252 VanDerWaalsContact CZ-CA 3.48Å
247K73.9Confident82.9Confident153 Ų15359.9 Ų59.967%0.66532%0.321SS*.  trans-87.6161.1161.7-59.4175.1179.2176.20109.7G249 D250K247-G249 PolarHBondContact O-N 3.47Å; K247-G249 VanDerWaalsContact O-N 3.16Å; K247-D250 VanDerWaalsContact CB-OD2 3.31Å; K247-D250 WeakPolarHBondContact CB-OD2 3.44Å; K247-D250 PolarHBondContact N-OD2 3.23Å; K247-D250 PolarHBondContact O-N 3.29Å; K247-D250 VanDerWaalsContact O-N 3.14Å
248K63.1Low82.3Confident223 Ų22360.8 Ų60.897%0.9733%0.327SS*.THydrogen-bonded Turntrans-67.8111.8174.2-167.5179.1-175.6-178.60108.9
249G64.1Low81.7Confident80 Ų8060.7 Ų60.783%0.82533%0.33SS*.THydrogen-bonded Turntrans107.3-8.8-174.900000115.2K247K247-G249 PolarHBondContact O-N 3.47Å; K247-G249 VanDerWaalsContact O-N 3.16Å
250D71.7Confident81.5Confident73 Ų7359.1 Ų59.139%0.3932%0.322SS..  trans-69.6149.1171.6-70.6-16.2000111R246 K247R246-D250 HydrophobicContact CB-CB 4.4Å; R246-D250 PolarHBondContact NH2-O 2.99Å; K247-D250 VanDerWaalsContact CB-OD2 3.31Å; K247-D250 WeakPolarHBondContact CB-OD2 3.44Å; K247-D250 PolarHBondContact N-OD2 3.23Å; K247-D250 PolarHBondContact O-N 3.29Å; K247-D250 VanDerWaalsContact O-N 3.14Å
251D71.6Confident81.1Confident89 Ų8960 Ų6048%0.47633%0.328SS..  trans-50151.7166.2-168.2-9.6000111.3R246 L253R246-D251 PolarHBondContact NE-O 3.46Å; R246-D251 PolarHBondContact NH2-O 3.34Å; D251-L253 VanDerWaalsContact C-N 3.28Å; D251-L253 WeakPolarHBondContact OD1-CB 3.35Å; D251-L253 WeakPolarHBondContact OD1-CG 3.31Å; D251-L253 PolarHBondContact OD1-N 2.78Å
252C74.8Confident81.2Confident52 Ų5262.8 Ų62.835%0.35134%0.339SS..SBendtrans-78.5-15.9169.863.50000112.7R246R246-C252 VanDerWaalsContact CZ-CA 3.48Å
253L81.4Confident81.4Confident70 Ų7062.5 Ų62.537%0.36634%0.336SS..  trans-89.6116.3-173.6-57.6174000113.1D251 P273 Y274 T275D251-L253 VanDerWaalsContact C-N 3.28Å; D251-L253 WeakPolarHBondContact OD1-CB 3.35Å; D251-L253 WeakPolarHBondContact OD1-CG 3.31Å; D251-L253 PolarHBondContact OD1-N 2.78Å; L253-P273 HydrophobicContact CB-CB 3.74Å; L253-P273 HydrophobicContact CD1-CB 4.03Å; L253-P273 HydrophobicContact CD2-CB 4.19Å; L253-P273 HydrophobicContact CG-CB 4.21Å; L253-Y274 WeakPolarHBondContact CA-O 3.34Å; L253-T275 HydrophobicContact CD2-CG2 4.01Å
254M84.8Confident81.4Confident17 Ų1762.9 Ų62.98%0.08434%0.338CS..BIsolated β-bridgetrans-92.1148171.1-67.9162.9-76.400110.4T215 S244 P273 Y274 T275T215-M254 HydrophobicContact CG2-CE 4.07Å; T215-M254 HydrophobicContact CG2-SD 4.42Å; S244-M254 WeakPolarHBondContact CB-SD 3.19Å; S244-M254 PolarHBondContact OG-SD 3.46Å; M254-P273 CarbonylContact O-C 3.56Å; M254-P273 VanDerWaalsContact O-CA 3.29Å; M254-P273 WeakPolarHBondContact O-CA 3.46Å; M254-Y274 HydrophobicContact CB-CD1 4.48Å; M254-Y274 HydrophobicContact CB-CD2 3.85Å; M254-Y274 HydrophobicContact CB-CE1 4.11Å; M254-Y274 HydrophobicContact CB-CE2 3.4Å; M254-Y274 HydrophobicContact CB-CG 4.37Å; M254-Y274 HydrophobicContact CE-CD2 3.94Å; M254-Y274 HydrophobicContact CE-CE2 3.93Å; M254-Y274 HydrophobicContact CG-CE2 4.28Å; M254-Y274 PolarHBondContact N-O 3.46Å; M254-Y274 VanDerWaalsContact O-CD1 3.23Å; M254-Y274 WeakPolarHBondContact O-CD1 3.32Å; M254-Y274 WeakPolarHBondContact O-CE1 3.41Å; M254-Y274 PolarHBondContact O-N 3.06Å; M254-Y274 HydrophobicContact SD-CE2 3.98Å; M254-T275 WeakPolarHBondContact CE-O 3.24Å
255K80.9Confident81.4Confident141 Ų14161.7 Ų61.761%0.61333%0.33SS*.  trans-127.7-1.1-172.6-60.8174.8-172.9170.90114.2P273K255-P273 HydrophobicContact CG-CB 4.15Å; K255-P273 HydrophobicContact CG-CG 4.41Å
256T82.1Confident81.6Confident81 Ų8162.2 Ų62.250%0.49733%0.332SS..  trans-80.8123-179.4-38.30000110.6C258 Y274T256-C258 PolarHBondContact O-N 2.81Å; T256-Y274 VanDerWaalsContact O-CE1 3.27Å; T256-Y274 WeakPolarHBondContact O-CE1 3.42Å; T256-Y274 PolarHBondContact O-OH 3.37Å
257T83.2Confident81.9Confident37 Ų3760.1 Ų60.123%0.22733%0.326CS..  trans-74.6111.7166.3-57.60000109.3L9 V268L9-T257 HydrophobicContact CB-CG2 4.1Å; L9-T257 HydrophobicContact CD1-CG2 3.59Å; L9-T257 HydrophobicContact CG-CG2 3.82Å; T257-V268 HydrophobicContact CG2-CG1 4.26Å; T257-V268 PolarHBondContact OG1-O 3.42Å
258C84.8Confident82.7Confident18 Ų1853 Ų5312%0.12230%0.296CS..  trans-153.5173.9176.459.30000110.7L242 T256 I264L242-C258 HydrophobicContact CD2-CB 4.48Å; T256-C258 PolarHBondContact O-N 2.81Å; C258-I264 WeakPolarHBondContact O-CD1 3.22Å
259G83.8Confident83.9Confident17 Ų1743 Ų4318%0.17525%0.253CS..SBendtrans107.7168-17700000113.1R217R217-G259 WeakPolarHBondContact O-CA 3.42Å
260T86.3Confident85Confident24 Ų2440.9 Ų40.915%0.14722%0.224CC..  trans-79129.3179.1-62.40000110.4D218 K220 E262 Y263 I264D218-T260 WeakPolarHBondContact OD1-CB 3.35Å; D218-T260 PolarHBondContact OD1-N 3.21Å; D218-T260 PolarHBondContact OD1-OG1 2.98Å; K220-T260 HydrophobicContact CD-CG2 4.06Å; K220-T260 VanDerWaalsContact CD-OG1 3.27Å; K220-T260 WeakPolarHBondContact CD-OG1 3.48Å; K220-T260 WeakPolarHBondContact CE-OG1 3.49Å; K220-T260 PolarHBondContact NZ-OG1 2.86Å; T260-E262 WeakPolarHBondContact CG2-OE2 3.43Å; T260-E262 PolarHBondContact O-N 3.43Å; T260-Y263 HydrophobicContact CG2-CD2 3.88Å; T260-Y263 HydrophobicContact CG2-CE2 4.29Å; T260-Y263 PolarHBondContact O-N 3.36Å; T260-I264 PolarHBondContact O-N 3.32Å
261P86.8Confident85.7Confident20 Ų2042.8 Ų42.813%0.1323%0.226CC..THydrogen-bonded Turntrans-56.6-24.2-165-27.434.2000117.5I264 L305 Y306 I309P261-I264 VanDerWaalsContact O-CG2 3.24Å; P261-I264 WeakPolarHBondContact O-CG2 3.35Å; P261-L305 HydrophobicContact CB-CD2 4.39Å; P261-Y306 HydrophobicContact CB-CE1 4.13Å; P261-I309 WeakPolarHBondContact O-CD1 3.13Å
262E90.2Very high86.4Confident64 Ų6442.8 Ų42.830%0.29922%0.221SC..THydrogen-bonded Turntrans-88-19.6-175.2-58.169.8-152.500111.9T260 M295 L305T260-E262 WeakPolarHBondContact CG2-OE2 3.43Å; T260-E262 PolarHBondContact O-N 3.43Å; E262-M295 HydrophobicContact CB-CE 3.67Å; E262-M295 HydrophobicContact CG-CE 4.21Å; E262-L305 HydrophobicContact CG-CD2 4.32Å
263Y93.1Very high87Confident25 Ų2543.4 Ų43.410%0.09823%0.225CC..THydrogen-bonded Turntrans-111.2-0.1-178.3-56.8-87.4000112.8K220 P221 T260 V285 I286 I289K220-Y263 HydrophobicContact CB-CD1 4.29Å; K220-Y263 HydrophobicContact CB-CD2 3.81Å; K220-Y263 HydrophobicContact CB-CE1 4.39Å; K220-Y263 HydrophobicContact CB-CE2 3.92Å; K220-Y263 HydrophobicContact CB-CG 4.03Å; P221-Y263 VanDerWaalsContact CD-OH 3.24Å; P221-Y263 WeakPolarHBondContact CD-OH 3.5Å; P221-Y263 HydrophobicContact CG-CE1 4.25Å; P221-Y263 WeakPolarHBondContact CG-OH 3.39Å; T260-Y263 HydrophobicContact CG2-CD2 3.88Å; T260-Y263 HydrophobicContact CG2-CE2 4.29Å; T260-Y263 PolarHBondContact O-N 3.36Å; Y263-V285 HydrophobicContact CD1-CB 4.05Å; Y263-V285 HydrophobicContact CD1-CG1 3.49Å; Y263-V285 VanDerWaalsContact CD1-CG1 3.49Å; Y263-V285 HydrophobicContact CE1-CG1 3.66Å; Y263-V285 HydrophobicContact CG-CG1 4.4Å; Y263-I286 HydrophobicContact CD1-CG1 4.14Å; Y263-I286 HydrophobicContact CE1-CG1 4.03Å; Y263-I289 HydrophobicContact CE1-CD1 3.97Å
264I92.2Very high87.3Confident8 Ų840.4 Ų40.44%0.04121%0.208CC..  trans-77.3136.4-173.3-162.8169.3000112.2L9 C258 T260 P261 V268 L269 W281 I309L9-I264 HydrophobicContact CD1-CD1 3.62Å; C258-I264 WeakPolarHBondContact O-CD1 3.22Å; T260-I264 PolarHBondContact O-N 3.32Å; P261-I264 VanDerWaalsContact O-CG2 3.24Å; P261-I264 WeakPolarHBondContact O-CG2 3.35Å; I264-V268 HydrophobicContact CD1-CB 4.2Å; I264-V268 HydrophobicContact CD1-CG1 3.86Å; I264-V268 HydrophobicContact CG1-CB 3.94Å; I264-V268 HydrophobicContact CG1-CG1 4.05Å; I264-L269 HydrophobicContact CD1-CD2 4.12Å; I264-L269 HydrophobicContact CG2-CD1 4.07Å; I264-L269 HydrophobicContact CG2-CD2 3.77Å; I264-L269 HydrophobicContact CG2-CG 3.87Å; I264-W281 PolarHBondContact O-NE1 2.79Å; I264-I309 HydrophobicContact CG2-CD1 4.32Å
265A91.1Very high87.6Confident2 Ų241.7 Ų41.72%0.01722%0.217CC..  trans-75.4145.9-179.100000112.3E267 V268 L269 V278 W281A265-E267 VanDerWaalsContact C-N 3.28Å; A265-E267 WeakPolarHBondContact CB-OE2 3.33Å; A265-E267 PolarHBondContact O-N 3.42Å; A265-V268 HydrophobicContact CB-CG2 4.2Å; A265-V268 WeakPolarHBondContact O-CB 3.37Å; A265-V268 PolarHBondContact O-N 3.09Å; A265-L269 PolarHBondContact O-N 3.03Å; A265-V278 HydrophobicContact CB-CB 3.95Å; A265-V278 HydrophobicContact CB-CG1 3.85Å; A265-W281 VanDerWaalsContact CA-CD1 3.49Å; A265-W281 HydrophobicContact CB-CB 3.74Å; A265-W281 HydrophobicContact CB-CD2 4.32Å; A265-W281 HydrophobicContact CB-CG 3.7Å
266P91.3Very high88.2Confident22 Ų2238 Ų3814%0.14320%0.204CC..Hα-helixtrans-61.2-32.6-173.524-34.3000113.2V268 L269 V270 W281 I309 L310P266-V268 VanDerWaalsContact C-N 3.28Å; P266-V268 PolarHBondContact O-N 2.95Å; P266-L269 PolarHBondContact O-N 3Å; P266-V270 WeakPolarHBondContact O-CG2 3.48Å; P266-V270 PolarHBondContact O-N 3.49Å; P266-W281 HydrophobicContact CG-CE3 4.16Å; P266-W281 HydrophobicContact CG-CH2 4.04Å; P266-W281 HydrophobicContact CG-CZ2 4.49Å; P266-W281 HydrophobicContact CG-CZ3 3.86Å; P266-I309 HydrophobicContact CB-CG2 4.31Å; P266-L310 HydrophobicContact CB-CD2 3.92Å
267E89.3Confident88.7Confident46 Ų4636.1 Ų36.122%0.21520%0.195CC..Hα-helixtrans-63.4-32176.364.2-89.5-142.800113.1A265 R271 K272 S277 V278A265-E267 VanDerWaalsContact C-N 3.28Å; A265-E267 WeakPolarHBondContact CB-OE2 3.33Å; A265-E267 PolarHBondContact O-N 3.42Å; E267-R271 PolarHBondContact O-N 2.96Å; E267-K272 HydrophobicContact CB-CB 4.43Å; E267-K272 PolarHBondContact O-N 3.39Å; E267-S277 PolarHBondContact OE1-OG 3.21Å; E267-V278 HydrophobicContact CG-CG1 4.23Å
268V89.6Confident89.3Confident5 Ų534.9 Ų34.93%0.0319%0.187CC..Hα-helixtrans-73.7-35.5177.7-170.50000111.2T257 I264 A265 P266 R271 Y274 V278T257-V268 HydrophobicContact CG2-CG1 4.26Å; T257-V268 PolarHBondContact OG1-O 3.42Å; I264-V268 HydrophobicContact CD1-CB 4.2Å; I264-V268 HydrophobicContact CD1-CG1 3.86Å; I264-V268 HydrophobicContact CG1-CB 3.94Å; I264-V268 HydrophobicContact CG1-CG1 4.05Å; A265-V268 HydrophobicContact CB-CG2 4.2Å; A265-V268 WeakPolarHBondContact O-CB 3.37Å; A265-V268 PolarHBondContact O-N 3.09Å; P266-V268 VanDerWaalsContact C-N 3.28Å; P266-V268 PolarHBondContact O-N 2.95Å; V268-R271 PolarHBondContact O-N 2.94Å; V268-Y274 HydrophobicContact CB-CD1 4.48Å; V268-Y274 HydrophobicContact CG1-CE1 4.09Å; V268-Y274 HydrophobicContact CG2-CD1 3.82Å; V268-Y274 HydrophobicContact CG2-CD2 4.33Å; V268-Y274 HydrophobicContact CG2-CE1 4Å; V268-Y274 HydrophobicContact CG2-CG 4Å; V268-V278 HydrophobicContact CG2-CB 4.33Å; V268-V278 HydrophobicContact CG2-CG1 3.56Å
269L88.2Confident89.8Confident13 Ų1334 Ų347%0.06818%0.181CC..Hα-helixtrans-66.2-42.5176.3-71.3177.3000112.3L9 I264 A265 P266 R271 Y306 I309 L310L9-L269 HydrophobicContact CD1-CD2 3.9Å; I264-L269 HydrophobicContact CD1-CD2 4.12Å; I264-L269 HydrophobicContact CG2-CD1 4.07Å; I264-L269 HydrophobicContact CG2-CD2 3.77Å; I264-L269 HydrophobicContact CG2-CG 3.87Å; A265-L269 PolarHBondContact O-N 3.03Å; P266-L269 PolarHBondContact O-N 3Å; L269-R271 PolarHBondContact O-N 3.46Å; L269-Y306 HydrophobicContact CD1-CD1 3.84Å; L269-Y306 HydrophobicContact CD1-CG 4.19Å; L269-Y306 HydrophobicContact CD2-CD1 3.64Å; L269-Y306 HydrophobicContact CD2-CE1 3.77Å; L269-Y306 HydrophobicContact CD2-CG 4.06Å; L269-Y306 HydrophobicContact CG-CD1 4.43Å; L269-I309 HydrophobicContact CD1-CB 4.04Å; L269-I309 HydrophobicContact CD1-CD1 4.34Å; L269-I309 HydrophobicContact CD1-CG2 3.61Å; L269-L310 HydrophobicContact CB-CD2 4.07Å; L269-L310 HydrophobicContact CD1-CD2 4.39Å; L269-L310 HydrophobicContact CD1-CG 4.3Å
270V88Confident90.5Very high35 Ų3536.8 Ų36.821%0.21219%0.191CC..THydrogen-bonded Turntrans-81.812.4173.5-63.60000113.7L18 P266 K272 L310L18-V270 HydrophobicContact CD1-CB 4.33Å; L18-V270 HydrophobicContact CD1-CG1 3.78Å; L18-V270 HydrophobicContact CD1-CG2 3.74Å; P266-V270 WeakPolarHBondContact O-CG2 3.48Å; P266-V270 PolarHBondContact O-N 3.49Å; V270-K272 HydrophobicContact CG2-CB 4.22Å; V270-K272 HydrophobicContact CG2-CD 3.68Å; V270-K272 HydrophobicContact CG2-CG 3.73Å; V270-K272 PolarHBondContact O-N 2.68Å; V270-L310 HydrophobicContact CG1-CD1 4.38Å; V270-L310 HydrophobicContact CG1-CD2 3.68Å
271R87.1Confident90.9Very high113 Ų11337.3 Ų37.343%0.42619%0.19SC..THydrogen-bonded Turntrans53.627.2178.2-51-176.2-179.3156.4-0.2113.8E11 E267 V268 L269E11-R271 IonicContact OE1-CZ 3.67Å; E11-R271 IonicContact OE1-NH1 3.76Å; E11-R271 PolarHBondContact OE1-NH1 3.29Å; E11-R271 IonicContact OE1-NH2 2.7Å; E11-R271 PolarHBondContact OE1-NH2 2.81Å; E267-R271 PolarHBondContact O-N 2.96Å; V268-R271 PolarHBondContact O-N 2.94Å; L269-R271 PolarHBondContact O-N 3.46Å
272K86.3Confident91.4Very high88 Ų8836.6 Ų36.638%0.38319%0.185SC..  trans-73.5149.7173.8-78.2176.5-176.9177.40109.3E267 V270 Y274E267-K272 HydrophobicContact CB-CB 4.43Å; E267-K272 PolarHBondContact O-N 3.39Å; V270-K272 HydrophobicContact CG2-CB 4.22Å; V270-K272 HydrophobicContact CG2-CD 3.68Å; V270-K272 HydrophobicContact CG2-CG 3.73Å; V270-K272 PolarHBondContact O-N 2.68Å; K272-Y274 PolarHBondContact O-N 3.28Å
273P86.9Confident91.7Very high65 Ų6534 Ų3442%0.42217%0.173SC..  trans-62.9130.7171.1-15.729.6000110.1L253 M254 K255L253-P273 HydrophobicContact CB-CB 3.74Å; L253-P273 HydrophobicContact CD1-CB 4.03Å; L253-P273 HydrophobicContact CD2-CB 4.19Å; L253-P273 HydrophobicContact CG-CB 4.21Å; M254-P273 CarbonylContact O-C 3.56Å; M254-P273 VanDerWaalsContact O-CA 3.29Å; M254-P273 WeakPolarHBondContact O-CA 3.46Å; K255-P273 HydrophobicContact CG-CB 4.15Å; K255-P273 HydrophobicContact CG-CG 4.41Å
274Y88.1Confident91.8Very high7 Ų733.4 Ų33.43%0.02718%0.175CC..BIsolated β-bridgetrans-128.8158.3-169.562.8-97.6000112.7R217 L253 M254 T256 V268 K272 V278R217-Y274 VanDerWaalsContact CD-OH 3.31Å; R217-Y274 WeakPolarHBondContact CD-OH 3.12Å; R217-Y274 HydrophobicContact CG-CE2 4.46Å; R217-Y274 PolarHBondContact NH1-OH 3.39Å; L253-Y274 WeakPolarHBondContact CA-O 3.34Å; M254-Y274 HydrophobicContact CB-CD1 4.48Å; M254-Y274 HydrophobicContact CB-CD2 3.85Å; M254-Y274 HydrophobicContact CB-CE1 4.11Å; M254-Y274 HydrophobicContact CB-CE2 3.4Å; M254-Y274 HydrophobicContact CB-CG 4.37Å; M254-Y274 HydrophobicContact CE-CD2 3.94Å; M254-Y274 HydrophobicContact CE-CE2 3.93Å; M254-Y274 HydrophobicContact CG-CE2 4.28Å; M254-Y274 PolarHBondContact N-O 3.46Å; M254-Y274 VanDerWaalsContact O-CD1 3.23Å; M254-Y274 WeakPolarHBondContact O-CD1 3.32Å; M254-Y274 WeakPolarHBondContact O-CE1 3.41Å; M254-Y274 PolarHBondContact O-N 3.06Å; M254-Y274 HydrophobicContact SD-CE2 3.98Å; T256-Y274 VanDerWaalsContact O-CE1 3.27Å; T256-Y274 WeakPolarHBondContact O-CE1 3.42Å; T256-Y274 PolarHBondContact O-OH 3.37Å; V268-Y274 HydrophobicContact CB-CD1 4.48Å; V268-Y274 HydrophobicContact CG1-CE1 4.09Å; V268-Y274 HydrophobicContact CG2-CD1 3.82Å; V268-Y274 HydrophobicContact CG2-CD2 4.33Å; V268-Y274 HydrophobicContact CG2-CE1 4Å; V268-Y274 HydrophobicContact CG2-CG 4Å; K272-Y274 PolarHBondContact O-N 3.28Å; Y274-V278 HydrophobicContact CD2-CB 4.4Å; Y274-V278 HydrophobicContact CD2-CG1 3.43Å; Y274-V278 VanDerWaalsContact CD2-CG1 3.43Å; Y274-V278 HydrophobicContact CD2-CG2 4.04Å; Y274-V278 HydrophobicContact CE2-CG1 4.15Å; Y274-V278 HydrophobicContact CE2-CG2 4.11Å; Y274-V278 HydrophobicContact CG-CG1 3.83Å
275T91.4Very high91.9Very high44 Ų4433.3 Ų33.327%0.2718%0.175SC..  trans-107.1-161.6180680000111.1L253 M254 S277L253-T275 HydrophobicContact CD2-CG2 4.01Å; M254-T275 WeakPolarHBondContact CE-O 3.24Å; T275-S277 PolarHBondContact O-N 3.04Å; T275-S277 PolarHBondContact OG1-N 3.37Å; T275-S277 PolarHBondContact OG1-OG 2.94Å
276N92.4Very high92.1Very high63 Ų6333.3 Ų33.334%0.33718%0.175SC..THydrogen-bonded Turntrans-66.8-2.4169.661.4-46.5000114.2H210 T215 V278 D279H210-N276 PolarHBondContact CE1-O 2.95Å; H210-N276 PolarHBondContact ND1-ND2 2.97Å; T215-N276 HydrophobicContact CG2-CB 4.22Å; N276-V278 PolarHBondContact O-N 3.02Å; N276-V278 VanDerWaalsContact O-N 3.17Å; N276-D279 PolarHBondContact O-N 3.32Å
277S93.8Very high92.3Very high43 Ų4332.5 Ų32.530%0.30117%0.17SC..Hα-helixtrans-50-34.2170.356.90000113.5E267 T275 D279 M280 W281E267-S277 PolarHBondContact OE1-OG 3.21Å; T275-S277 PolarHBondContact O-N 3.04Å; T275-S277 PolarHBondContact OG1-N 3.37Å; T275-S277 PolarHBondContact OG1-OG 2.94Å; S277-D279 VanDerWaalsContact C-N 3.26Å; S277-D279 PolarHBondContact O-N 2.68Å; S277-M280 WeakPolarHBondContact O-CA 3.44Å; S277-M280 WeakPolarHBondContact O-CB 3.37Å; S277-M280 PolarHBondContact O-N 3.4Å; S277-W281 PolarHBondContact O-N 3.37Å
278V94.3Very high92.4Very high10 Ų1030.9 Ų30.96%0.06116%0.162CC..Hα-helixtrans-64-30.5-175-54.90000113.2T215 R217 A265 E267 V268 Y274 N276 M280 A282T215-V278 HydrophobicContact CG2-CG2 3.87Å; R217-V278 HydrophobicContact CG-CG2 4.24Å; A265-V278 HydrophobicContact CB-CB 3.95Å; A265-V278 HydrophobicContact CB-CG1 3.85Å; E267-V278 HydrophobicContact CG-CG1 4.23Å; V268-V278 HydrophobicContact CG2-CB 4.33Å; V268-V278 HydrophobicContact CG2-CG1 3.56Å; Y274-V278 HydrophobicContact CD2-CB 4.4Å; Y274-V278 HydrophobicContact CD2-CG1 3.43Å; Y274-V278 VanDerWaalsContact CD2-CG1 3.43Å; Y274-V278 HydrophobicContact CD2-CG2 4.04Å; Y274-V278 HydrophobicContact CE2-CG1 4.15Å; Y274-V278 HydrophobicContact CE2-CG2 4.11Å; Y274-V278 HydrophobicContact CG-CG1 3.83Å; N276-V278 PolarHBondContact O-N 3.02Å; N276-V278 VanDerWaalsContact O-N 3.17Å; V278-M280 VanDerWaalsContact C-N 3.35Å; V278-A282 PolarHBondContact O-N 3.28Å
279D96.6Very high92.4Very high1 Ų131.5 Ų31.51%0.00517%0.165CC..Hα-helixtrans-69.5-36.1173.1-71.1-13.9000110.5V206 H210 T215 H216 R217 L219 N276 S277 A282 L283V206-D279 HydrophobicContact CG1-CB 4.18Å; H210-D279 IonicContact CD2-OD2 3.68Å; H210-D279 IonicContact CE1-OD2 3.81Å; H210-D279 IonicContact NE2-OD2 2.78Å; H210-D279 PolarHBondContact NE2-OD2 3.13Å; T215-D279 WeakPolarHBondContact CA-OD2 3.28Å; T215-D279 VanDerWaalsContact CG2-OD2 3.31Å; T215-D279 WeakPolarHBondContact CG2-OD2 3.16Å; H216-D279 WeakPolarHBondContact CB-OD1 3.48Å; H216-D279 PolarHBondContact N-OD1 2.87Å; H216-D279 PolarHBondContact N-OD2 3.36Å; R217-D279 PolarHBondContact N-OD1 2.78Å; L219-D279 HydrophobicContact CD1-CB 3.71Å; N276-D279 PolarHBondContact O-N 3.32Å; S277-D279 VanDerWaalsContact C-N 3.26Å; S277-D279 PolarHBondContact O-N 2.68Å; D279-A282 PolarHBondContact O-N 3.49Å; D279-L283 WeakPolarHBondContact O-CG 3.27Å; D279-L283 PolarHBondContact O-N 2.81Å
280M97.3Very high92.5Very high75 Ų7531.5 Ų31.537%0.36917%0.165SC..Hα-helixtrans-70.8-33.6177.9-57.2-55.2-57.500112.3L203 V206 S277 V278 L283 G284L203-M280 HydrophobicContact CD2-CE 3.79Å; V206-M280 HydrophobicContact CG1-SD 4.38Å; S277-M280 WeakPolarHBondContact O-CA 3.44Å; S277-M280 WeakPolarHBondContact O-CB 3.37Å; S277-M280 PolarHBondContact O-N 3.4Å; V278-M280 VanDerWaalsContact C-N 3.35Å; M280-L283 HydrophobicContact CE-CD1 4.24Å; M280-L283 PolarHBondContact O-N 3.4Å; M280-L283 HydrophobicContact SD-CD1 4.01Å; M280-G284 PolarHBondContact O-N 3.05Å
281W95.7Very high92.6Very high35 Ų3531.3 Ų31.313%0.13316%0.163CC..Hα-helixtrans-61.4-49.5169.8176.5-84.4000111.3I264 A265 P266 S277 L283 G284 V285 F297 I309 M347I264-W281 PolarHBondContact O-NE1 2.79Å; A265-W281 VanDerWaalsContact CA-CD1 3.49Å; A265-W281 HydrophobicContact CB-CB 3.74Å; A265-W281 HydrophobicContact CB-CD2 4.32Å; A265-W281 HydrophobicContact CB-CG 3.7Å; P266-W281 HydrophobicContact CG-CE3 4.16Å; P266-W281 HydrophobicContact CG-CH2 4.04Å; P266-W281 HydrophobicContact CG-CZ2 4.49Å; P266-W281 HydrophobicContact CG-CZ3 3.86Å; S277-W281 PolarHBondContact O-N 3.37Å; W281-L283 VanDerWaalsContact C-N 3.31Å; W281-L283 PolarHBondContact O-N 2.91Å; W281-G284 WeakPolarHBondContact O-CA 3.48Å; W281-G284 PolarHBondContact O-N 2.8Å; W281-V285 PolarHBondContact O-N 2.78Å; W281-F297 HydrophobicContact CH2-CE2 4.11Å; W281-F297 HydrophobicContact CH2-CZ 4.09Å; W281-F297 HydrophobicContact CZ2-CD2 4.41Å; W281-F297 AromaticContact CZ2-CE2 3.51Å; W281-F297 HydrophobicContact CZ2-CE2 3.51Å; W281-F297 AromaticContact CZ2-CZ 3.96Å; W281-F297 HydrophobicContact CZ2-CZ 3.96Å; W281-I309 HydrophobicContact CZ2-CG2 3.9Å; W281-M347 HydrophobicContact CE3-CE 4Å; W281-M347 HydrophobicContact CZ3-CE 4.28Å
282A96.4Very high92.6Very high4 Ų427.6 Ų27.63%0.03315%0.154CC..Hα-helixtrans-60.8-38.9177.500000112.2L219 V278 D279 G284 V285 I286L219-A282 HydrophobicContact CB-CB 3.88Å; V278-A282 PolarHBondContact O-N 3.28Å; D279-A282 PolarHBondContact O-N 3.49Å; A282-G284 VanDerWaalsContact C-N 3.34Å; A282-G284 PolarHBondContact O-N 2.73Å; A282-V285 PolarHBondContact O-N 3.48Å; A282-I286 WeakPolarHBondContact O-CD1 3.35Å; A282-I286 VanDerWaalsContact O-CG1 3.28Å; A282-I286 WeakPolarHBondContact O-CG1 3.27Å; A282-I286 PolarHBondContact O-N 2.94Å
283L96.8Very high92.5Very high9 Ų926.7 Ų26.75%0.04717%0.169CC..Hα-helixtrans-63.7-35.6171.1-70177.3000113V202 L203 V206 L219 D279 M280 W281 I286 A287V202-L283 HydrophobicContact CB-CD2 4.3Å; V202-L283 HydrophobicContact CG1-CD2 3.46Å; V202-L283 VanDerWaalsContact CG1-CD2 3.46Å; L203-L283 HydrophobicContact CD2-CD1 3.72Å; L203-L283 HydrophobicContact CG-CD1 4.4Å; V206-L283 HydrophobicContact CB-CD1 4.28Å; V206-L283 HydrophobicContact CG1-CD1 4.18Å; V206-L283 HydrophobicContact CG2-CD1 4.15Å; L219-L283 HydrophobicContact CD1-CD2 4.15Å; L219-L283 HydrophobicContact CD1-CG 4.04Å; D279-L283 WeakPolarHBondContact O-CG 3.27Å; D279-L283 PolarHBondContact O-N 2.81Å; M280-L283 HydrophobicContact CE-CD1 4.24Å; M280-L283 PolarHBondContact O-N 3.4Å; M280-L283 HydrophobicContact SD-CD1 4.01Å; W281-L283 VanDerWaalsContact C-N 3.31Å; W281-L283 PolarHBondContact O-N 2.91Å; L283-I286 PolarHBondContact O-N 2.63Å; L283-A287 WeakPolarHBondContact O-CB 3.44Å; L283-A287 PolarHBondContact O-N 3.41Å
284G95.5Very high92.5Very high14 Ų1427.2 Ų27.214%0.14417%0.171CC..Hα-helixtrans-62.8-41.5172.600000112.6M280 W281 A282 A287 Y288M280-G284 PolarHBondContact O-N 3.05Å; W281-G284 WeakPolarHBondContact O-CA 3.48Å; W281-G284 PolarHBondContact O-N 2.8Å; A282-G284 VanDerWaalsContact C-N 3.34Å; A282-G284 PolarHBondContact O-N 2.73Å; G284-A287 PolarHBondContact O-N 2.92Å; G284-Y288 PolarHBondContact O-N 2.97Å
285V94.9Very high92.6Very high5 Ų528.9 Ų28.93%0.0318%0.18CC..Hα-helixtrans-63.1-47.9173.4173.90000111Y263 W281 A282 A287 Y288 I289 P296Y263-V285 HydrophobicContact CD1-CB 4.05Å; Y263-V285 HydrophobicContact CD1-CG1 3.49Å; Y263-V285 VanDerWaalsContact CD1-CG1 3.49Å; Y263-V285 HydrophobicContact CE1-CG1 3.66Å; Y263-V285 HydrophobicContact CG-CG1 4.4Å; W281-V285 PolarHBondContact O-N 2.78Å; A282-V285 PolarHBondContact O-N 3.48Å; V285-A287 PolarHBondContact O-N 3.08Å; V285-Y288 WeakPolarHBondContact O-CB 3.38Å; V285-Y288 PolarHBondContact O-N 3.01Å; V285-I289 HydrophobicContact CG1-CD1 3.94Å; V285-I289 WeakPolarHBondContact O-CD1 3.27Å; V285-I289 WeakPolarHBondContact O-CG1 3.29Å; V285-I289 PolarHBondContact O-N 2.85Å; V285-I289 VanDerWaalsContact O-N 3.11Å; V285-P296 HydrophobicContact CB-CG 4.25Å; V285-P296 HydrophobicContact CG1-CG 3.8Å; V285-P296 HydrophobicContact CG2-CG 4.1Å
286I94.6Very high92.6Very high2 Ų227.4 Ų27.41%0.0117%0.171CC..Hα-helixtrans-62-43177.4-65.4161.7000111L180 L219 L224 Y263 A282 L283 Y288 I289 L290L180-I286 HydrophobicContact CD2-CG2 4.22Å; L219-I286 HydrophobicContact CB-CD1 4.45Å; L224-I286 HydrophobicContact CD1-CD1 4Å; L224-I286 HydrophobicContact CD1-CG2 4.33Å; Y263-I286 HydrophobicContact CD1-CG1 4.14Å; Y263-I286 HydrophobicContact CE1-CG1 4.03Å; A282-I286 WeakPolarHBondContact O-CD1 3.35Å; A282-I286 VanDerWaalsContact O-CG1 3.28Å; A282-I286 WeakPolarHBondContact O-CG1 3.27Å; A282-I286 PolarHBondContact O-N 2.94Å; L283-I286 PolarHBondContact O-N 2.63Å; I286-Y288 VanDerWaalsContact C-N 3.34Å; I286-Y288 PolarHBondContact O-N 2.75Å; I286-I289 PolarHBondContact O-N 3.1Å; I286-L290 HydrophobicContact CG2-CD1 3.91Å; I286-L290 HydrophobicContact CG2-CG 4.32Å; I286-L290 WeakPolarHBondContact O-CB 3.49Å; I286-L290 VanDerWaalsContact O-CG 3.25Å; I286-L290 WeakPolarHBondContact O-CG 3.23Å; I286-L290 PolarHBondContact O-N 2.94Å
287A94.3Very high92.5Very high6 Ų624.8 Ų24.85%0.0516%0.157CC..Hα-helixtrans-63.9-36.6177.200000112.7L199 L283 G284 V285 L291L199-A287 HydrophobicContact CD1-CB 3.69Å; L199-A287 HydrophobicContact CD2-CB 3.79Å; L199-A287 HydrophobicContact CG-CB 4.42Å; L283-A287 WeakPolarHBondContact O-CB 3.44Å; L283-A287 PolarHBondContact O-N 3.41Å; G284-A287 PolarHBondContact O-N 2.92Å; V285-A287 PolarHBondContact O-N 3.08Å; A287-L291 WeakPolarHBondContact O-CD1 3.24Å; A287-L291 VanDerWaalsContact O-CG 3.24Å; A287-L291 WeakPolarHBondContact O-CG 3.29Å; A287-L291 PolarHBondContact O-N 3.21Å
288Y91.9Very high92.3Very high12 Ų1229.2 Ų29.25%0.04717%0.173CC..Hα-helixtrans-61.1-54.5172.7-176.6-86.7000110.6G284 V285 I286 L290 L291 S292 T294 P296 Y314 S315 Y316 L340G284-Y288 PolarHBondContact O-N 2.97Å; V285-Y288 WeakPolarHBondContact O-CB 3.38Å; V285-Y288 PolarHBondContact O-N 3.01Å; I286-Y288 VanDerWaalsContact C-N 3.34Å; I286-Y288 PolarHBondContact O-N 2.75Å; Y288-L290 VanDerWaalsContact C-N 3.3Å; Y288-L290 PolarHBondContact O-N 3.38Å; Y288-L291 CarbonylContact O-C 3.58Å; Y288-L291 PolarHBondContact O-N 2.98Å; Y288-S292 VanDerWaalsContact CD1-OG 3.31Å; Y288-S292 WeakPolarHBondContact CD1-OG 3.31Å; Y288-S292 VanDerWaalsContact CE1-OG 3.24Å; Y288-S292 WeakPolarHBondContact CE1-OG 3.38Å; Y288-S292 PolarHBondContact O-N 2.95Å; Y288-S292 PolarHBondContact O-OG 3.11Å; Y288-T294 WeakPolarHBondContact CD1-O 3.33Å; Y288-T294 VanDerWaalsContact CE1-O 3.29Å; Y288-T294 WeakPolarHBondContact CE1-O 3.31Å; Y288-P296 HydrophobicContact CD1-CB 3.61Å; Y288-P296 HydrophobicContact CD1-CG 4.01Å; Y288-P296 HydrophobicContact CD2-CB 4.21Å; Y288-P296 HydrophobicContact CE1-CB 3.85Å; Y288-P296 HydrophobicContact CE2-CB 4.42Å; Y288-P296 HydrophobicContact CG-CB 3.8Å; Y288-P296 HydrophobicContact CG-CG 4.27Å; Y288-Y314 HydrophobicContact CD2-CD2 4.18Å; Y288-Y314 AromaticContact CE2-CD2 3.89Å; Y288-Y314 HydrophobicContact CE2-CD2 3.89Å; Y288-S315 PolarHBondContact OH-O 2.99Å; Y288-Y316 HydrophobicContact CD2-CD2 4.45Å; Y288-Y316 AromaticContact CE2-CD2 3.95Å; Y288-Y316 HydrophobicContact CE2-CD2 3.95Å; Y288-L340 HydrophobicContact CD2-CD2 4.48Å
289I90.9Very high92Very high17 Ų1730.7 Ų30.79%0.08718%0.18CC..Hα-helixtrans-60.9-38.6-177.3-55.3154.6000111.5F181 Y263 V285 I286 L291 G293 T294 M295F181-I289 HydrophobicContact CE1-CG2 4.14Å; F181-I289 HydrophobicContact CE2-CB 4.31Å; F181-I289 HydrophobicContact CE2-CD1 4.19Å; F181-I289 HydrophobicContact CE2-CG2 3.57Å; F181-I289 HydrophobicContact CZ-CB 3.73Å; F181-I289 HydrophobicContact CZ-CD1 4.05Å; F181-I289 HydrophobicContact CZ-CG1 4.5Å; F181-I289 HydrophobicContact CZ-CG2 3.33Å; Y263-I289 HydrophobicContact CE1-CD1 3.97Å; V285-I289 HydrophobicContact CG1-CD1 3.94Å; V285-I289 WeakPolarHBondContact O-CD1 3.27Å; V285-I289 WeakPolarHBondContact O-CG1 3.29Å; V285-I289 PolarHBondContact O-N 2.85Å; V285-I289 VanDerWaalsContact O-N 3.11Å; I286-I289 PolarHBondContact O-N 3.1Å; I289-L291 PolarHBondContact O-N 3.3Å; I289-G293 WeakPolarHBondContact O-CA 3.48Å; I289-G293 PolarHBondContact O-N 3.06Å; I289-T294 WeakPolarHBondContact CG1-O 3.45Å; I289-M295 HydrophobicContact CD1-CE 4.33Å; I289-M295 HydrophobicContact CD1-SD 3.53Å; I289-M295 VanDerWaalsContact CD1-SD 3.53Å; I289-M295 HydrophobicContact CG1-SD 3.94Å
290L90.2Very high91.7Very high13 Ų1338.6 Ų38.67%0.06822%0.223CC..Hα-helixtrans-63.9-17175.1-73.6173.8000114.4L180 F181 I184 F190 A195 V198 L199 I286 Y288L180-L290 HydrophobicContact CD1-CD2 4.38Å; L180-L290 HydrophobicContact CD2-CD1 4.47Å; L180-L290 HydrophobicContact CD2-CD2 4.26Å; L180-L290 HydrophobicContact CG-CD2 4.37Å; F181-L290 HydrophobicContact CD1-CD2 4.4Å; F181-L290 HydrophobicContact CE1-CD2 3.87Å; F181-L290 HydrophobicContact CE1-CG 4.26Å; I184-L290 HydrophobicContact CD1-CD2 3.3Å; F190-L290 HydrophobicContact CE1-CB 4.4Å; F190-L290 HydrophobicContact CE1-CD2 3.8Å; F190-L290 HydrophobicContact CZ-CD2 3.91Å; A195-L290 HydrophobicContact CB-CB 4.2Å; V198-L290 HydrophobicContact CG1-CD1 3.99Å; L199-L290 HydrophobicContact CD1-CD1 4.44Å; L199-L290 HydrophobicContact CD2-CD1 3.9Å; L199-L290 HydrophobicContact CG-CD1 3.92Å; I286-L290 HydrophobicContact CG2-CD1 3.91Å; I286-L290 HydrophobicContact CG2-CG 4.32Å; I286-L290 WeakPolarHBondContact O-CB 3.49Å; I286-L290 VanDerWaalsContact O-CG 3.25Å; I286-L290 WeakPolarHBondContact O-CG 3.23Å; I286-L290 PolarHBondContact O-N 2.94Å; Y288-L290 VanDerWaalsContact C-N 3.3Å; Y288-L290 PolarHBondContact O-N 3.38Å
291L88.9Confident91.5Very high32 Ų3238.3 Ų38.317%0.16822%0.223CC..Hα-helixtrans-112.7-25.6-177.2-66175.3000113.4E192 A195 A287 Y288 I289 Y316 I339E192-L291 HydrophobicContact CB-CD2 4.43Å; E192-L291 HydrophobicContact CG-CD2 3.83Å; A195-L291 HydrophobicContact CB-CD2 3.85Å; A287-L291 WeakPolarHBondContact O-CD1 3.24Å; A287-L291 VanDerWaalsContact O-CG 3.24Å; A287-L291 WeakPolarHBondContact O-CG 3.29Å; A287-L291 PolarHBondContact O-N 3.21Å; Y288-L291 CarbonylContact O-C 3.58Å; Y288-L291 PolarHBondContact O-N 2.98Å; I289-L291 PolarHBondContact O-N 3.3Å; L291-Y316 PolarHBondContact O-OH 2.92Å; L291-I339 HydrophobicContact CD1-CB 4.46Å; L291-I339 HydrophobicContact CD1-CG2 4.33Å
292S87.1Confident91.1Very high35 Ų3541.6 Ų41.625%0.24524%0.235CC..Hα-helixtrans-105.2-22.4179.965.20000114.5Y288 T294Y288-S292 VanDerWaalsContact CD1-OG 3.31Å; Y288-S292 WeakPolarHBondContact CD1-OG 3.31Å; Y288-S292 VanDerWaalsContact CE1-OG 3.24Å; Y288-S292 WeakPolarHBondContact CE1-OG 3.38Å; Y288-S292 PolarHBondContact O-N 2.95Å; Y288-S292 PolarHBondContact O-OG 3.11Å; S292-T294 WeakPolarHBondContact CB-OG1 3.46Å; S292-T294 PolarHBondContact O-N 3.26Å; S292-T294 PolarHBondContact OG-N 3Å; S292-T294 PolarHBondContact OG-O 3.07Å; S292-T294 PolarHBondContact OG-OG1 3.46Å; S292-T294 VanDerWaalsContact OG-OG1 3.08Å
293G85.3Confident90.8Very high68 Ų6844.3 Ų44.370%0.70125%0.251SS*.SBendtrans70.18.6-166.300000114.6I289I289-G293 WeakPolarHBondContact O-CA 3.48Å; I289-G293 PolarHBondContact O-N 3.06Å
294T87.1Confident90.5Very high76 Ų7649.6 Ų49.647%0.46627%0.271SS..SBendtrans-134.4157.4-173.658.60000112.3Y288 I289 S292Y288-T294 WeakPolarHBondContact CD1-O 3.33Å; Y288-T294 VanDerWaalsContact CE1-O 3.29Å; Y288-T294 WeakPolarHBondContact CE1-O 3.31Å; I289-T294 WeakPolarHBondContact CG1-O 3.45Å; S292-T294 WeakPolarHBondContact CB-OG1 3.46Å; S292-T294 PolarHBondContact O-N 3.26Å; S292-T294 PolarHBondContact OG-N 3Å; S292-T294 PolarHBondContact OG-O 3.07Å; S292-T294 PolarHBondContact OG-OG1 3.46Å; S292-T294 VanDerWaalsContact OG-OG1 3.08Å
295M90Very high90.3Very high42 Ų4249.1 Ų49.121%0.20727%0.265CS..  trans-70.6141.9173.6-64.1-61.9-74.600111.2E262 I289 E298E262-M295 HydrophobicContact CB-CE 3.67Å; E262-M295 HydrophobicContact CG-CE 4.21Å; I289-M295 HydrophobicContact CD1-CE 4.33Å; I289-M295 HydrophobicContact CD1-SD 3.53Å; I289-M295 VanDerWaalsContact CD1-SD 3.53Å; I289-M295 HydrophobicContact CG1-SD 3.94Å; M295-E298 HydrophobicContact CB-CB 3.91Å; M295-E298 HydrophobicContact CG-CB 4.5Å
296P89.8Confident90.1Very high14 Ų1449.6 Ų49.69%0.09127%0.266CS..SBendtrans-77.5-24.617429-31.8000112.8V285 Y288V285-P296 HydrophobicContact CB-CG 4.25Å; V285-P296 HydrophobicContact CG1-CG 3.8Å; V285-P296 HydrophobicContact CG2-CG 4.1Å; Y288-P296 HydrophobicContact CD1-CB 3.61Å; Y288-P296 HydrophobicContact CD1-CG 4.01Å; Y288-P296 HydrophobicContact CD2-CB 4.21Å; Y288-P296 HydrophobicContact CE1-CB 3.85Å; Y288-P296 HydrophobicContact CE2-CB 4.42Å; Y288-P296 HydrophobicContact CG-CB 3.8Å; Y288-P296 HydrophobicContact CG-CG 4.27Å
297F91.5Very high89.9Confident7 Ų754 Ų543%0.03128%0.283CS..SBendtrans-141.6125176.8-46.1-69.3000108.3W281 L305 Q308 I309 Y314W281-F297 HydrophobicContact CH2-CE2 4.11Å; W281-F297 HydrophobicContact CH2-CZ 4.09Å; W281-F297 HydrophobicContact CZ2-CD2 4.41Å; W281-F297 AromaticContact CZ2-CE2 3.51Å; W281-F297 HydrophobicContact CZ2-CE2 3.51Å; W281-F297 AromaticContact CZ2-CZ 3.96Å; W281-F297 HydrophobicContact CZ2-CZ 3.96Å; F297-L305 HydrophobicContact CB-CD1 3.86Å; F297-Q308 VanDerWaalsContact CA-OE1 3.27Å; F297-Q308 HydrophobicContact CB-CB 4.32Å; F297-Q308 HydrophobicContact CD1-CB 3.96Å; F297-I309 HydrophobicContact CB-CG1 3.86Å; F297-I309 HydrophobicContact CD1-CG1 4.47Å; F297-I309 HydrophobicContact CD2-CG1 3.82Å; F297-I309 HydrophobicContact CG-CG1 3.79Å; F297-Y314 HydrophobicContact CE1-CD1 4.49Å; F297-Y314 HydrophobicContact CZ-CD1 4.17Å
298E88.4Confident89.7Confident136 Ų13656.5 Ų56.564%0.63629%0.293SS*.  trans-155.8130.5-175.8-171.5162.8-15000110.2M295 Q308M295-E298 HydrophobicContact CB-CB 3.91Å; M295-E298 HydrophobicContact CG-CB 4.5Å; E298-Q308 PolarHBondContact O-NE2 3.21Å; E298-Q308 PolarHBondContact O-OE1 3.38Å
299D89.9Confident89.6Confident41 Ų4156 Ų5622%0.21929%0.291CS..  trans-168.3130.1175.2-160-54.2000110.3N301 R304 L305D299-N301 PolarHBondContact O-N 3.24Å; D299-N301 VanDerWaalsContact O-N 3.1Å; D299-N301 WeakPolarHBondContact OD1-CB 3.33Å; D299-N301 PolarHBondContact OD1-N 3.24Å; D299-R304 HydrophobicContact CB-CB 4.17Å; D299-R304 VanDerWaalsContact CG-CB 3.46Å; D299-R304 IonicContact OD1-CZ 3.19Å; D299-R304 IonicContact OD1-NE 2.8Å; D299-R304 PolarHBondContact OD1-NE 3.35Å; D299-R304 IonicContact OD1-NH2 2.77Å; D299-R304 PolarHBondContact OD1-NH2 3.07Å; D299-R304 WeakPolarHBondContact OD2-CB 3.39Å; D299-R304 WeakPolarHBondContact OD2-CD 3.2Å; D299-R304 IonicContact OD2-CZ 3.73Å; D299-R304 IonicContact OD2-NE 3.01Å; D299-R304 PolarHBondContact OD2-NE 3.38Å; D299-R304 IonicContact OD2-NH2 2.93Å; D299-L305 HydrophobicContact CB-CB 4.08Å
300D90Very high89.6Confident168 Ų16855.9 Ų55.990%0.89829%0.291SS*.SBendtrans-53.6-31173.9-60.2-55.6000112.7R302D300-R302 PolarHBondContact O-N 3.03Å
301N92Very high89.5Confident69 Ų6963.5 Ų63.537%0.36932%0.319SS..SBendtrans-89.9104.8177.1-171-75.7000110.3D299 T303 R304 L305D299-N301 PolarHBondContact O-N 3.24Å; D299-N301 VanDerWaalsContact O-N 3.1Å; D299-N301 WeakPolarHBondContact OD1-CB 3.33Å; D299-N301 PolarHBondContact OD1-N 3.24Å; N301-T303 PolarHBondContact O-N 3.05Å; N301-T303 VanDerWaalsContact OD1-CB 3.31Å; N301-T303 WeakPolarHBondContact OD1-CB 3.34Å; N301-T303 PolarHBondContact OD1-N 3.41Å; N301-T303 VanDerWaalsContact OD1-N 3.12Å; N301-R304 HydrophobicContact CB-CB 4.2Å; N301-R304 HydrophobicContact CB-CG 4.02Å; N301-R304 WeakPolarHBondContact O-CA 3.4Å; N301-R304 WeakPolarHBondContact O-CB 3.29Å; N301-R304 PolarHBondContact O-N 3.31Å; N301-R304 PolarHBondContact OD1-N 3.36Å; N301-R304 VanDerWaalsContact OD1-N 3.17Å; N301-L305 PolarHBondContact O-N 3.18Å
302R88.6Confident89.3Confident103 Ų10363.6 Ų63.639%0.38933%0.328SS..Hα-helixtrans-46.1-38176.8-67.1165.565.593.5-9.4114.1D300 L305 Y306D300-R302 PolarHBondContact O-N 3.03Å; R302-L305 PolarHBondContact O-N 3.13Å; R302-Y306 HydrophobicContact CB-CE2 4.18Å; R302-Y306 VanDerWaalsContact CZ-OH 3.3Å; R302-Y306 PolarHBondContact NH2-OH 3.39Å; R302-Y306 VanDerWaalsContact NH2-OH 3.14Å; R302-Y306 WeakPolarHBondContact O-CB 3.44Å; R302-Y306 WeakPolarHBondContact O-CD2 3.36Å; R302-Y306 PolarHBondContact O-N 3.05Å
303T89.6Confident88.9Confident61 Ų6170.3 Ų70.337%0.37435%0.352SS..Hα-helixtrans-70.8-31.4178.5-49.90000112.4P13 N301 R307P13-T303 HydrophobicContact CG-CG2 4.16Å; N301-T303 PolarHBondContact O-N 3.05Å; N301-T303 VanDerWaalsContact OD1-CB 3.31Å; N301-T303 WeakPolarHBondContact OD1-CB 3.34Å; N301-T303 PolarHBondContact OD1-N 3.41Å; N301-T303 VanDerWaalsContact OD1-N 3.12Å; T303-R307 WeakPolarHBondContact O-CB 3.35Å; T303-R307 PolarHBondContact O-N 3.16Å
304R90.9Very high88.7Confident120 Ų12071.8 Ų71.845%0.45334%0.338SS..Hα-helixtrans-75.2-43.4170.7-62.6-167.9-58-123.6-0.2111.3D299 N301 Y306 R307 Q308D299-R304 HydrophobicContact CB-CB 4.17Å; D299-R304 VanDerWaalsContact CG-CB 3.46Å; D299-R304 IonicContact OD1-CZ 3.19Å; D299-R304 IonicContact OD1-NE 2.8Å; D299-R304 PolarHBondContact OD1-NE 3.35Å; D299-R304 IonicContact OD1-NH2 2.77Å; D299-R304 PolarHBondContact OD1-NH2 3.07Å; D299-R304 WeakPolarHBondContact OD2-CB 3.39Å; D299-R304 WeakPolarHBondContact OD2-CD 3.2Å; D299-R304 IonicContact OD2-CZ 3.73Å; D299-R304 IonicContact OD2-NE 3.01Å; D299-R304 PolarHBondContact OD2-NE 3.38Å; D299-R304 IonicContact OD2-NH2 2.93Å; N301-R304 HydrophobicContact CB-CB 4.2Å; N301-R304 HydrophobicContact CB-CG 4.02Å; N301-R304 WeakPolarHBondContact O-CA 3.4Å; N301-R304 WeakPolarHBondContact O-CB 3.29Å; N301-R304 PolarHBondContact O-N 3.31Å; N301-R304 PolarHBondContact OD1-N 3.36Å; N301-R304 VanDerWaalsContact OD1-N 3.17Å; R304-Y306 PolarHBondContact O-N 2.95Å; R304-R307 CarbonylContact O-C 3.51Å; R304-R307 WeakPolarHBondContact O-CA 3.35Å; R304-R307 WeakPolarHBondContact O-CB 3.21Å; R304-R307 PolarHBondContact O-N 3.31Å; R304-Q308 PolarHBondContact O-N 3.25Å
305L90.4Very high88.1Confident4 Ų472.5 Ų72.52%0.02135%0.346CS..Hα-helixtrans-53.5-51.9172.8175.862.3000111.6P261 E262 F297 D299 N301 R302 R307 Q308 I309P261-L305 HydrophobicContact CB-CD2 4.39Å; E262-L305 HydrophobicContact CG-CD2 4.32Å; F297-L305 HydrophobicContact CB-CD1 3.86Å; D299-L305 HydrophobicContact CB-CB 4.08Å; N301-L305 PolarHBondContact O-N 3.18Å; R302-L305 PolarHBondContact O-N 3.13Å; L305-R307 VanDerWaalsContact C-N 3.25Å; L305-R307 PolarHBondContact O-N 2.95Å; L305-Q308 WeakPolarHBondContact O-CB 3.44Å; L305-Q308 PolarHBondContact O-N 3.14Å; L305-I309 HydrophobicContact CD1-CD1 4.09Å; L305-I309 HydrophobicContact CD1-CG1 4.44Å; L305-I309 HydrophobicContact CG-CD1 4.02Å; L305-I309 WeakPolarHBondContact O-CG1 3.49Å; L305-I309 PolarHBondContact O-N 3.28Å
306Y91.2Very high87.1Confident15 Ų1575.2 Ų75.26%0.05935%0.354CS..Hα-helixtrans-60.4-35.3175.8-59.7-25.4000112.1P10 P261 L269 R302 R304 Q308 I309 L310P10-Y306 HydrophobicContact CG-CE2 4.19Å; P261-Y306 HydrophobicContact CB-CE1 4.13Å; L269-Y306 HydrophobicContact CD1-CD1 3.84Å; L269-Y306 HydrophobicContact CD1-CG 4.19Å; L269-Y306 HydrophobicContact CD2-CD1 3.64Å; L269-Y306 HydrophobicContact CD2-CE1 3.77Å; L269-Y306 HydrophobicContact CD2-CG 4.06Å; L269-Y306 HydrophobicContact CG-CD1 4.43Å; R302-Y306 HydrophobicContact CB-CE2 4.18Å; R302-Y306 VanDerWaalsContact CZ-OH 3.3Å; R302-Y306 PolarHBondContact NH2-OH 3.39Å; R302-Y306 VanDerWaalsContact NH2-OH 3.14Å; R302-Y306 WeakPolarHBondContact O-CB 3.44Å; R302-Y306 WeakPolarHBondContact O-CD2 3.36Å; R302-Y306 PolarHBondContact O-N 3.05Å; R304-Y306 PolarHBondContact O-N 2.95Å; Y306-Q308 VanDerWaalsContact C-N 3.35Å; Y306-I309 PolarHBondContact O-N 3.02Å; Y306-L310 VanDerWaalsContact O-CB 3.25Å; Y306-L310 WeakPolarHBondContact O-CB 3.38Å; Y306-L310 WeakPolarHBondContact O-CG 3.49Å; Y306-L310 PolarHBondContact O-N 2.99Å
307R90.6Very high85.8Confident96 Ų9679.9 Ų79.936%0.36239%0.387SS..Hα-helixtrans-68.8-29.8174.3-167.4-177.4-67.7122.9-6.2112.8T303 R304 L305 R311T303-R307 WeakPolarHBondContact O-CB 3.35Å; T303-R307 PolarHBondContact O-N 3.16Å; R304-R307 CarbonylContact O-C 3.51Å; R304-R307 WeakPolarHBondContact O-CA 3.35Å; R304-R307 WeakPolarHBondContact O-CB 3.21Å; R304-R307 PolarHBondContact O-N 3.31Å; L305-R307 VanDerWaalsContact C-N 3.25Å; L305-R307 PolarHBondContact O-N 2.95Å; R307-R311 WeakPolarHBondContact O-CB 3.36Å; R307-R311 VanDerWaalsContact O-CD 3.27Å; R307-R311 WeakPolarHBondContact O-CD 3.24Å; R307-R311 WeakPolarHBondContact O-CG 3.48Å; R307-R311 PolarHBondContact O-N 3.02Å
308Q89.1Confident83.9Confident58 Ų5881.3 Ų81.327%0.27140%0.404SS..Hα-helixtrans-67.8-53170.7-61.9177.514.800110.4F297 E298 R304 L305 Y306 L310 R311 G312F297-Q308 VanDerWaalsContact CA-OE1 3.27Å; F297-Q308 HydrophobicContact CB-CB 4.32Å; F297-Q308 HydrophobicContact CD1-CB 3.96Å; E298-Q308 PolarHBondContact O-NE2 3.21Å; E298-Q308 PolarHBondContact O-OE1 3.38Å; R304-Q308 PolarHBondContact O-N 3.25Å; L305-Q308 WeakPolarHBondContact O-CB 3.44Å; L305-Q308 PolarHBondContact O-N 3.14Å; Y306-Q308 VanDerWaalsContact C-N 3.35Å; Q308-L310 PolarHBondContact O-N 3.38Å; Q308-R311 PolarHBondContact O-N 2.94Å; Q308-R311 VanDerWaalsContact O-N 3.08Å; Q308-G312 PolarHBondContact O-N 3.29Å; Q308-G312 VanDerWaalsContact O-N 3.14Å
309I90.3Very high81.9Confident1 Ų183.7 Ų83.71%0.00542%0.415CS..Hα-helixtrans-55.7-50.4179.5-66.4169.4000111.1P261 I264 P266 L269 W281 F297 L305 Y306 R311 G312P261-I309 WeakPolarHBondContact O-CD1 3.13Å; I264-I309 HydrophobicContact CG2-CD1 4.32Å; P266-I309 HydrophobicContact CB-CG2 4.31Å; L269-I309 HydrophobicContact CD1-CB 4.04Å; L269-I309 HydrophobicContact CD1-CD1 4.34Å; L269-I309 HydrophobicContact CD1-CG2 3.61Å; W281-I309 HydrophobicContact CZ2-CG2 3.9Å; F297-I309 HydrophobicContact CB-CG1 3.86Å; F297-I309 HydrophobicContact CD1-CG1 4.47Å; F297-I309 HydrophobicContact CD2-CG1 3.82Å; F297-I309 HydrophobicContact CG-CG1 3.79Å; L305-I309 HydrophobicContact CD1-CD1 4.09Å; L305-I309 HydrophobicContact CD1-CG1 4.44Å; L305-I309 HydrophobicContact CG-CD1 4.02Å; L305-I309 WeakPolarHBondContact O-CG1 3.49Å; L305-I309 PolarHBondContact O-N 3.28Å; Y306-I309 PolarHBondContact O-N 3.02Å; I309-R311 PolarHBondContact O-N 2.63Å; I309-G312 PolarHBondContact O-N 2.86Å
310L90Very high79.9Confident15 Ų1586 Ų868%0.07943%0.431CS..Hα-helixtrans-65.6-21.8179.6-69.3173.7000114V16 P266 L269 V270 Y306 Q308V16-L310 HydrophobicContact CG1-CD1 4.48Å; P266-L310 HydrophobicContact CB-CD2 3.92Å; L269-L310 HydrophobicContact CB-CD2 4.07Å; L269-L310 HydrophobicContact CD1-CD2 4.39Å; L269-L310 HydrophobicContact CD1-CG 4.3Å; V270-L310 HydrophobicContact CG1-CD1 4.38Å; V270-L310 HydrophobicContact CG1-CD2 3.68Å; Y306-L310 VanDerWaalsContact O-CB 3.25Å; Y306-L310 WeakPolarHBondContact O-CB 3.38Å; Y306-L310 WeakPolarHBondContact O-CG 3.49Å; Y306-L310 PolarHBondContact O-N 2.99Å; Q308-L310 PolarHBondContact O-N 3.38Å
311R89.3Confident77.5Confident172 Ų17283.6 Ų83.665%0.64943%0.427SS*.Hα-helixtrans-85.7-16.5173.4-76.7172.7171.8-178.9-5.7112.8R307 Q308 I309 K313R307-R311 WeakPolarHBondContact O-CB 3.36Å; R307-R311 VanDerWaalsContact O-CD 3.27Å; R307-R311 WeakPolarHBondContact O-CD 3.24Å; R307-R311 WeakPolarHBondContact O-CG 3.48Å; R307-R311 PolarHBondContact O-N 3.02Å; Q308-R311 PolarHBondContact O-N 2.94Å; Q308-R311 VanDerWaalsContact O-N 3.08Å; I309-R311 PolarHBondContact O-N 2.63Å; R311-K313 HydrophobicContact CB-CB 4.47Å; R311-K313 HydrophobicContact CB-CG 4.32Å; R311-K313 PolarHBondContact O-N 3.2Å; R311-K313 VanDerWaalsContact O-N 3.08Å
312G84.9Confident75.3Confident35 Ų3587.2 Ų87.236%0.36145%0.445SS..THydrogen-bonded Turntrans6014.8-175.400000114.7Q308 I309 Y314Q308-G312 PolarHBondContact O-N 3.29Å; Q308-G312 VanDerWaalsContact O-N 3.14Å; I309-G312 PolarHBondContact O-N 2.86Å; G312-Y314 WeakPolarHBondContact O-CD1 3.38Å; G312-Y314 PolarHBondContact O-N 2.75Å
313K77.5Confident72.8Confident175 Ų17587.6 Ų87.676%0.76146%0.464SS*.  trans-91.991.4-175.2-71.1-167.8178.1-169.40110.7R311R311-K313 HydrophobicContact CB-CB 4.47Å; R311-K313 HydrophobicContact CB-CG 4.32Å; R311-K313 PolarHBondContact O-N 3.2Å; R311-K313 VanDerWaalsContact O-N 3.08Å
314Y80.8Confident70.2Confident100 Ų10088.6 Ų88.639%0.39247%0.473SS..  trans-104.3156.2166.961.8-84.4000110.1Y288 F297 G312Y288-Y314 HydrophobicContact CD2-CD2 4.18Å; Y288-Y314 AromaticContact CE2-CD2 3.89Å; Y288-Y314 HydrophobicContact CE2-CD2 3.89Å; F297-Y314 HydrophobicContact CE1-CD1 4.49Å; F297-Y314 HydrophobicContact CZ-CD1 4.17Å; G312-Y314 WeakPolarHBondContact O-CD1 3.38Å; G312-Y314 PolarHBondContact O-N 2.75Å
315S74.8Confident67.5Low91 Ų9189.2 Ų89.264%0.63649%0.492SS*.  trans-132.1103-176.556.50000111.9Y288 S317Y288-S315 PolarHBondContact OH-O 2.99Å; S315-S317 PolarHBondContact O-N 2.67Å
316Y70.2Confident64.8Low98 Ų9891.4 Ų91.438%0.38451%0.507SS..  trans-76.592.5173-168.9-85.5000110.1Y288 L291 L340Y288-Y316 HydrophobicContact CD2-CD2 4.45Å; Y288-Y316 AromaticContact CE2-CD2 3.95Å; Y288-Y316 HydrophobicContact CE2-CD2 3.95Å; L291-Y316 PolarHBondContact O-OH 2.92Å; Y316-L340 HydrophobicContact CD2-CD1 4.43Å
317S61Low62Low112 Ų11297.3 Ų97.378%0.78355%0.547SS*.  trans-97.617.9177.560.80000113.5S315 E319S315-S317 PolarHBondContact O-N 2.67Å; S317-E319 PolarHBondContact O-N 3.34Å; S317-E319 VanDerWaalsContact O-N 3.13Å
318G52.4Low59.4Low37 Ų3795.5 Ų95.538%0.38156%0.559SS.*  trans-69.3106.5-179.300000112.1V320G318-V320 PolarHBondContact O-N 3.46Å
319E46.8Very low56.8Low187 Ų18798.1 Ų98.187%0.87458%0.582SS**  trans-56.3115.6148.7-72.8-168.1163.400107.2S317 S321S317-E319 PolarHBondContact O-N 3.34Å; S317-E319 VanDerWaalsContact O-N 3.13Å; E319-S321 PolarHBondContact O-N 2.87Å; E319-S321 VanDerWaalsContact O-N 3.1Å
320V46.8Very low54.1Low90 Ų90110.2 Ų110.255%0.54563%0.628SS.*  trans-75108.4180-148.10000107G318 L322G318-V320 PolarHBondContact O-N 3.46Å; V320-L322 HydrophobicContact CB-CD1 3.91Å; V320-L322 HydrophobicContact CB-CG 3.83Å; V320-L322 HydrophobicContact CG1-CD1 3.85Å; V320-L322 HydrophobicContact CG1-CD2 3.92Å; V320-L322 HydrophobicContact CG1-CG 3.59Å; V320-L322 PolarHBondContact O-N 3.1Å
321S40.5Very low51.4Low116 Ų116113.6 Ų113.681%0.81167%0.666SS**  trans-72.456-178.645.30000112.2E319 S323E319-S321 PolarHBondContact O-N 2.87Å; E319-S321 VanDerWaalsContact O-N 3.1Å; S321-S323 PolarHBondContact O-N 3.08Å
322L45.8Very low48.7Very low145 Ų145109 Ų10976%0.75967%0.673SS**  trans-79.857.1-175.6-66.2173.7000112.4V320 C324V320-L322 HydrophobicContact CB-CD1 3.91Å; V320-L322 HydrophobicContact CB-CG 3.83Å; V320-L322 HydrophobicContact CG1-CD1 3.85Å; V320-L322 HydrophobicContact CG1-CD2 3.92Å; V320-L322 HydrophobicContact CG1-CG 3.59Å; V320-L322 PolarHBondContact O-N 3.1Å; L322-C324 PolarHBondContact O-N 3.14Å
323S35Very low46.6Very low111 Ų111113.8 Ų113.878%0.77670%0.695SS**  trans-76.769.7161.347.20000110.3S321 P325S321-S323 PolarHBondContact O-N 3.08Å; S323-P325 VanDerWaalsContact O-CD 3.23Å; S323-P325 WeakPolarHBondContact O-CD 3.27Å
324C35.6Very low44.7Very low83 Ų83108.7 Ų108.756%0.56168%0.681SS**  trans-79.4112158.5-169.90000107.9L322 C326L322-C324 PolarHBondContact O-N 3.14Å; C324-C326 HydrophobicContact CB-CB 4.38Å; C324-C326 WeakPolarHBondContact CB-SG 3.41Å; C324-C326 PolarHBondContact O-N 3.08Å; C324-C326 WeakPolarHBondContact SG-CB 3.15Å; C324-C326 CovalentContact SG-SG 2.05Å; C324-C326 PolarHBondContact SG-SG 3.43Å
325P33.7Very low42.5Very low132 Ų132105.5 Ų105.586%0.85768%0.678SS**  trans-78.542.417836-37.6000110.9S323 P327S323-P325 VanDerWaalsContact O-CD 3.23Å; S323-P325 WeakPolarHBondContact O-CD 3.27Å; P325-P327 VanDerWaalsContact O-CD 3.24Å; P325-P327 WeakPolarHBondContact O-CD 3.38Å
326C34.3Very low40.7Very low50 Ų50101.8 Ų101.834%0.33865%0.654SS.*  trans-112.189.8-169.258.60000110.8C324 G328C324-C326 HydrophobicContact CB-CB 4.38Å; C324-C326 WeakPolarHBondContact CB-SG 3.41Å; C324-C326 PolarHBondContact O-N 3.08Å; C324-C326 WeakPolarHBondContact SG-CB 3.15Å; C324-C326 CovalentContact SG-SG 2.05Å; C324-C326 PolarHBondContact SG-SG 3.43Å; C326-G328 VanDerWaalsContact C-N 3.34Å; C326-G328 PolarHBondContact O-N 3Å
327P33.2Very low39Very low139 Ų139106.2 Ų106.290%0.90367%0.67SS**THydrogen-bonded Turntrans-70.987.1-179.529.9-35.3000110.8P325P325-P327 VanDerWaalsContact O-CD 3.24Å; P325-P327 WeakPolarHBondContact O-CD 3.38Å
328G35.5Very low37.8Very low59 Ų59107.6 Ų107.661%0.60866%0.66SS**THydrogen-bonded Turntrans175.7-25.8178.400000115.4C326 W330C326-G328 VanDerWaalsContact C-N 3.34Å; C326-G328 PolarHBondContact O-N 3Å; G328-W330 VanDerWaalsContact C-N 3.27Å; G328-W330 PolarHBondContact O-N 3.46Å
329C34Very low37Very low113 Ų113107.7 Ų107.776%0.76465%0.651SS**  trans-80.162-176.7-65.90000113.7
330W34.7Very low36.7Very low254 Ų254100.4 Ų100.496%0.96262%0.618SS**  trans-80.3124.7167.8-83.964.3000110.8G328G328-W330 VanDerWaalsContact C-N 3.27Å; G328-W330 PolarHBondContact O-N 3.46Å
331G33Very low35.9Very low86 Ų86101 Ų10189%0.88761%0.614SS**SBendtrans89.490.8174.500000114.4
332G31.4Very low35.6Very low77 Ų77101.2 Ų101.279%0.79461%0.606SS**  trans-17832.3-17800000116.5
333T40.8Very low35.3Very low135 Ų13595.9 Ų95.983%0.82858%0.581SS**  trans-67.6147.717445.80000112.5
334C39.3Very low35.4Very low67 Ų6793.7 Ų93.745%0.45356%0.562SS.*  trans76.678.7171.7-58.70000116.8Y338C334-Y338 HydrophobicContact CB-CD2 4.16Å; C334-Y338 HydrophobicContact CB-CE2 3.87Å; C334-Y338 VanDerWaalsContact O-CD2 3.27Å; C334-Y338 WeakPolarHBondContact O-CD2 3.2Å
335G34.2Very low35.2Very low33 Ų3398.5 Ų98.534%0.3457%0.569SS.*SBendtrans-98.4-64.8150.200000111.5E192 R337 Y338 I339E192-G335 WeakPolarHBondContact OE1-CA 3.47Å; G335-R337 VanDerWaalsContact C-N 3.28Å; G335-R337 PolarHBondContact O-N 3.29Å; G335-Y338 WeakPolarHBondContact O-CB 3.46Å; G335-Y338 PolarHBondContact O-N 3.23Å; G335-I339 PolarHBondContact O-N 3.01Å
336G37.4Very low35.2Very low13 Ų1395.4 Ų95.413%0.13456%0.561CS.*Hα-helixtrans-55-30.8-173.300000116.6E192 Y338 I339 L340E192-G336 PolarHBondContact OE1-N 2.9Å; E192-G336 PolarHBondContact OE2-N 3.34Å; G336-Y338 VanDerWaalsContact C-N 3.3Å; G336-Y338 PolarHBondContact O-N 3.45Å; G336-I339 PolarHBondContact O-N 2.89Å; G336-L340 PolarHBondContact O-N 3.43Å
337R34.8Very low35.5Very low191 Ų19198.1 Ų98.172%0.72157%0.57SS**Hα-helixtrans-62.2-35.1172.3-77-168.7176.4-1651112.7G335 Q341G335-R337 VanDerWaalsContact C-N 3.28Å; G335-R337 PolarHBondContact O-N 3.29Å; R337-Q341 VanDerWaalsContact O-CB 3.31Å; R337-Q341 WeakPolarHBondContact O-CB 3.14Å; R337-Q341 WeakPolarHBondContact O-CG 3.25Å; R337-Q341 PolarHBondContact O-N 3.01Å
338Y34.4Very low35.4Very low142 Ų14295.1 Ų95.156%0.55755%0.552SS**Hα-helixtrans-74.1-33.7177.5-74.9-80.1000112.6C334 G335 G336 Q341 L342C334-Y338 HydrophobicContact CB-CD2 4.16Å; C334-Y338 HydrophobicContact CB-CE2 3.87Å; C334-Y338 VanDerWaalsContact O-CD2 3.27Å; C334-Y338 WeakPolarHBondContact O-CD2 3.2Å; G335-Y338 WeakPolarHBondContact O-CB 3.46Å; G335-Y338 PolarHBondContact O-N 3.23Å; G336-Y338 VanDerWaalsContact C-N 3.3Å; G336-Y338 PolarHBondContact O-N 3.45Å; Y338-Q341 PolarHBondContact O-N 2.88Å; Y338-L342 VanDerWaalsContact O-CB 3.29Å; Y338-L342 WeakPolarHBondContact O-CB 3.43Å; Y338-L342 VanDerWaalsContact O-CG 3.24Å; Y338-L342 WeakPolarHBondContact O-CG 3.39Å; Y338-L342 PolarHBondContact O-N 2.67Å
339I36.8Very low35.4Very low39 Ų3997.7 Ų97.720%0.256%0.561CS.*Hα-helixtrans-62.2-48.8175.9-59.8177.6000109.8L199 L291 G335 G336 L342 S343L199-I339 HydrophobicContact CD1-CG2 4.07Å; L291-I339 HydrophobicContact CD1-CB 4.46Å; L291-I339 HydrophobicContact CD1-CG2 4.33Å; G335-I339 PolarHBondContact O-N 3.01Å; G336-I339 PolarHBondContact O-N 2.89Å; I339-L342 PolarHBondContact O-N 2.82Å; I339-S343 PolarHBondContact O-N 2.86Å; I339-S343 VanDerWaalsContact O-N 3.09Å
340L39Very low35.1Very low33 Ų3395.4 Ų95.417%0.17356%0.557CS.*Hα-helixtrans-64.4-43.1174.8-72165.8000112Y288 Y316 G336 L342 S343 V344Y288-L340 HydrophobicContact CD2-CD2 4.48Å; Y316-L340 HydrophobicContact CD2-CD1 4.43Å; G336-L340 PolarHBondContact O-N 3.43Å; L340-L342 PolarHBondContact O-N 2.9Å; L340-S343 PolarHBondContact O-N 3.47Å; L340-V344 WeakPolarHBondContact O-CG2 3.01Å; L340-V344 PolarHBondContact O-N 2.93Å
341Q31.5Very low34.9Very low102 Ų10289.3 Ų89.348%0.47755%0.549SS..Hα-helixtrans-66.9-31.2177-81.1-170-25.500114R337 Y338 V344 R345R337-Q341 VanDerWaalsContact O-CB 3.31Å; R337-Q341 WeakPolarHBondContact O-CB 3.14Å; R337-Q341 WeakPolarHBondContact O-CG 3.25Å; R337-Q341 PolarHBondContact O-N 3.01Å; Y338-Q341 PolarHBondContact O-N 2.88Å; Q341-V344 PolarHBondContact O-N 3.21Å; Q341-R345 VanDerWaalsContact O-CB 3.32Å; Q341-R345 WeakPolarHBondContact O-CB 3.41Å; Q341-R345 WeakPolarHBondContact O-CG 3.41Å; Q341-R345 PolarHBondContact O-N 3.45Å
342L34.3Very low34.8Very low122 Ų12291.4 Ų91.464%0.63955%0.549SS*.Hα-helixtrans-70-41.9173.6-76.6166.3000110.7Y338 I339 L340 V344 R345 G346Y338-L342 VanDerWaalsContact O-CB 3.29Å; Y338-L342 WeakPolarHBondContact O-CB 3.43Å; Y338-L342 VanDerWaalsContact O-CG 3.24Å; Y338-L342 WeakPolarHBondContact O-CG 3.39Å; Y338-L342 PolarHBondContact O-N 2.67Å; I339-L342 PolarHBondContact O-N 2.82Å; L340-L342 PolarHBondContact O-N 2.9Å; L342-V344 PolarHBondContact O-N 3.17Å; L342-R345 PolarHBondContact O-N 3.12Å; L342-G346 PolarHBondContact O-N 3.11Å
343S38.5Very low34.7Very low32 Ų3296.9 Ų96.922%0.22458%0.575CS.*Hα-helixtrans-60.3-33.2173.2-164.70000112.7I339 L340 M347I339-S343 PolarHBondContact O-N 2.86Å; I339-S343 VanDerWaalsContact O-N 3.09Å; L340-S343 PolarHBondContact O-N 3.47Å; S343-M347 WeakPolarHBondContact O-CG 3.4Å
344V36.2Very low34.4Very low65 Ų6595 Ų9539%0.39456%0.563SS.*Hα-helixtrans-83.6-38.5177.3174.10000112.6L340 Q341 L342 G346 M347L340-V344 WeakPolarHBondContact O-CG2 3.01Å; L340-V344 PolarHBondContact O-N 2.93Å; Q341-V344 PolarHBondContact O-N 3.21Å; L342-V344 PolarHBondContact O-N 3.17Å; V344-G346 PolarHBondContact O-N 3.44Å; V344-M347 HydrophobicContact CG2-SD 4.47Å; V344-M347 VanDerWaalsContact O-CB 3.27Å; V344-M347 WeakPolarHBondContact O-CB 3.31Å; V344-M347 PolarHBondContact O-N 2.82Å
345R33.3Very low34.2Very low185 Ų18596.4 Ų96.470%0.69857%0.568SS**Hα-helixtrans-67.6-25.4174.6-76.1-179.3173.8-162.7-1.7112.6Q341 L342 M347 S348Q341-R345 VanDerWaalsContact O-CB 3.32Å; Q341-R345 WeakPolarHBondContact O-CB 3.41Å; Q341-R345 WeakPolarHBondContact O-CG 3.41Å; Q341-R345 PolarHBondContact O-N 3.45Å; L342-R345 PolarHBondContact O-N 3.12Å; R345-M347 PolarHBondContact O-N 3.03Å; R345-S348 PolarHBondContact O-OG 3.01Å; R345-S348 VanDerWaalsContact O-OG 3.13Å
346G33.1Very low34.2Very low66 Ų6699.9 Ų99.968%0.6858%0.581SS**THydrogen-bonded Turntrans-67.9-13.4168.600000114.7L342 V344L342-G346 PolarHBondContact O-N 3.11Å; V344-G346 PolarHBondContact O-N 3.44Å
347M39.8Very low34Very low107 Ų107105.1 Ų105.153%0.52761%0.607SS.*THydrogen-bonded Turntrans-80.4-18.4178.5-60.3174.7172.700113.1W281 S343 V344 R345 S349W281-M347 HydrophobicContact CE3-CE 4Å; W281-M347 HydrophobicContact CZ3-CE 4.28Å; S343-M347 WeakPolarHBondContact O-CG 3.4Å; V344-M347 HydrophobicContact CG2-SD 4.47Å; V344-M347 VanDerWaalsContact O-CB 3.27Å; V344-M347 WeakPolarHBondContact O-CB 3.31Å; V344-M347 PolarHBondContact O-N 2.82Å; R345-M347 PolarHBondContact O-N 3.03Å; M347-S349 PolarHBondContact O-N 3.4Å
348S31.3Very low33.9Very low77 Ų7799.7 Ų99.754%0.53860%0.6SS.*SBendtrans-96.183.6-179.558.30000112.5R345R345-S348 PolarHBondContact O-OG 3.01Å; R345-S348 VanDerWaalsContact O-OG 3.13Å
349S35.1Very low33.9Very low112 Ų11296.9 Ų96.978%0.78360%0.603SS**  trans30.792.8148.661.80000118.2M347M347-S349 PolarHBondContact O-N 3.4Å
350G28.1Very low33.7Very low66 Ų66101 Ų10168%0.6863%0.632SS**PPolyproline II helixtrans-96137.4148.400000109.7
351P31.6Very low33.3Very low125 Ų125106.2 Ų106.281%0.81267%0.667SS**PPolyproline II helixtrans-67.2142.5170.529.4-33.6000110.1
352C29.7Very low33.4Very low130 Ų130106.6 Ų106.688%0.87868%0.683SS**PPolyproline II helixtrans-64.3137.2176.8-62.40000111.3
353S30.2Very low33.3Very low192 Ų192105.2 Ų105.2100%1.34369%0.687SS**  trans-126.40161.2-60.50000107.6

Retrieved 353 of 353 residues in 457.9 ms (Link to these results)