A0A077ZD37_TRITR Loading...

Sodium:potassium transporting ATPase

AlphaFold DB , UniProt , Accession A0A077ZD37, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 327 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.7Very low37.3Very low249 Ų249155.8 Ų155.8100%1.22782%0.818SS**  0135.90-65.1176.1-178.100107.1
2A34.4Very low37.1Very low91 Ų91158.3 Ų158.375%0.75282%0.822SS**  cis-168.4139.5-15.800000101.3
3S29.5Very low37Very low94 Ų94154.1 Ų154.166%0.65783%0.825SS**  trans-55.3142170.741.20000110
4R30.8Very low36.8Very low236 Ų236156.2 Ų156.289%0.89183%0.83SS**  trans-137101.7161.1-140.9178.4-167.6173.52.5107.4
5Y32.4Very low36.8Very low210 Ų210158.6 Ų158.682%0.82484%0.835SS**  trans-83.5135.6165.2-58.3-86.8000107.1
6T40Very low36.8Very low119 Ų119158.3 Ų158.373%0.7383%0.833SS**  trans-130125164.349.20000107.8
7I36.7Very low36.8Very low150 Ų150157.2 Ų157.277%0.76983%0.828SS**  trans-70.3133.8175.8-63.9161.8000107.2
8V46.2Very low37.2Very low134 Ų134156.7 Ų156.781%0.81283%0.826SS**  trans-114.5118.4167.8-1800000106
9D46.3Very low37.3Very low127 Ų127157.7 Ų157.768%0.67983%0.826SS**  trans-70.8138.6-177.9-60.2-51.7000110.4
10E40.1Very low37.5Very low173 Ų173156.6 Ų156.681%0.80883%0.825SS**  trans67.5101.5175.7-101.174.6-152.700119.2
11P42Very low37.4Very low131 Ų131160 Ų16085%0.85183%0.829SS**SBendtrans-92.219.4178.335.2-33.5000116.7
12E35.4Very low37.4Very low186 Ų186159.9 Ų159.987%0.86982%0.815SS**  trans-141.373.7-177.7-65.6-171.5171.800113.5
13A36Very low37.5Very low103 Ų103160.6 Ų160.685%0.85181%0.814SS**  trans-161.379.1160.700000110.3
14M34.5Very low37.7Very low184 Ų184160 Ų16091%0.90682%0.822SS**  trans-119.983.9161.2-166.6177.8-68.400107.6
15E36.3Very low38Very low192 Ų192156 Ų15690%0.89782%0.818SS**  trans-84.1126.7168.9-149.4169.5-167.600107.6
16L36.8Very low38Very low154 Ų154152 Ų15281%0.80682%0.815SS**  trans-81.1111.4178.4-89.9138.3000108.9
17D37.2Very low37.8Very low140 Ų140153.9 Ų153.975%0.74982%0.819SS**  trans-100.8111.5172.4-165.33.7000109.8
18D42.9Very low37.8Very low148 Ų148154 Ų15479%0.79182%0.816SS**  trans-93.312.9-166.1-107.4-16.9000114
19E39.1Very low37.2Very low175 Ų175155 Ų15582%0.81882%0.817SS**THydrogen-bonded Turntrans-93.20.7-170.6-76.9-152.4153.400117.7Y21E19-Y21 PolarHBondContact O-N 2.99Å
20V42.5Very low36.7Very low135 Ų135157.6 Ų157.682%0.81882%0.823SS**THydrogen-bonded Turntrans-90.95.6-175.6-169.60000114.2R22V20-R22 VanDerWaalsContact C-N 3.32Å; V20-R22 PolarHBondContact O-N 3.04Å
21Y35.7Very low36.4Very low229 Ų229155 Ų15590%0.89882%0.823SS**SBendtrans-88.122.3-179.2-123.9-83.7000115.9E19E19-Y21 PolarHBondContact O-N 2.99Å
22R30.9Very low36Very low246 Ų246152.2 Ų152.293%0.92882%0.818SS**  trans-144.965.6-179.9-132-176.6-167.8115.7-0.2115.8V20V20-R22 VanDerWaalsContact C-N 3.32Å; V20-R22 PolarHBondContact O-N 3.04Å
23S36.2Very low36.1Very low107 Ų107148.9 Ų148.975%0.74882%0.816SS**  trans-153.9113.8146.255.80000107.2
24G33.7Very low35.9Very low80 Ų80150.8 Ų150.883%0.82582%0.817SS**  83.450.271.100000110.5
25I38.1Very low36Very low154 Ų154152.8 Ų152.879%0.7981%0.814SS**  trans-108.6106.2171.8-62.5176.6000107.9
26T31.7Very low35.9Very low124 Ų124148.3 Ų148.376%0.76180%0.804SS**  trans-63.4124.517144.30000109.7E28T26-E28 PolarHBondContact O-N 3.37Å
27I36.5Very low35.9Very low159 Ų159149 Ų14982%0.81581%0.808SS**  trans-81.1106.1173.9-59.9173.8000106.7
28E37Very low35.9Very low154 Ų154148.5 Ų148.572%0.7281%0.805SS**  trans-76.3127165.3-75.5-173.5148.200109.5T26 F30T26-E28 PolarHBondContact O-N 3.37Å; E28-F30 PolarHBondContact O-N 3.39Å
29D33.2Very low35.9Very low155 Ų155147.1 Ų147.183%0.82981%0.805SS**  trans-64.497.5174.7-82.7-35.1000110.9
30F36.1Very low36.2Very low181 Ų181146.6 Ų146.679%0.79481%0.805SS**  trans-9992.4159.4-86.8-83.6000110.4E28 G32E28-F30 PolarHBondContact O-N 3.39Å; F30-G32 PolarHBondContact O-N 3.07Å
31S32.5Very low36Very low118 Ų118147.7 Ų147.783%0.82581%0.805SS**  trans-54.1121.5157.456.50000110.6
32G32.9Very low36.6Very low72 Ų72142.9 Ų142.974%0.74280%0.802SS**  trans135.4112.9162.700000115.7F30F30-G32 PolarHBondContact O-N 3.07Å
33S39.4Very low37.7Very low117 Ų117134 Ų13482%0.81879%0.788SS**  trans90.389.9159.6-163.40000117.7R35S33-R35 PolarHBondContact O-N 3.44Å; S33-R35 VanDerWaalsContact O-N 3.17Å
34T31.4Very low38.5Very low143 Ų143135 Ų13588%0.87779%0.791SS**  trans-63.694162.142.40000112.5
35R35.2Very low39.5Very low225 Ų225138.1 Ų138.185%0.84979%0.787SS**  trans-141.3106.2150.5-78.9-164.9166.7138.5-2.3108.9S33 L37S33-R35 PolarHBondContact O-N 3.44Å; S33-R35 VanDerWaalsContact O-N 3.17Å; R35-L37 PolarHBondContact O-N 2.93Å
36S35.8Very low40.6Very low98 Ų98132.3 Ų132.369%0.68577%0.766SS**  trans-62.9120.7179.3101.20000109.1D38S36-D38 PolarHBondContact OG-OD1 3.2Å
37L36.7Very low41.7Very low170 Ų170133 Ų13389%0.8976%0.764SS**  trans-89.788.8159.7-93.7139.1000104.7R35R35-L37 PolarHBondContact O-N 2.93Å
38D36.8Very low42.8Very low128 Ų128134.4 Ų134.468%0.68476%0.764SS**  trans-65.2141.3174.4-76.9-6.6000110S36S36-D38 PolarHBondContact OG-OD1 3.2Å
39P42.4Very low43.9Very low120 Ų120130.5 Ų130.578%0.77975%0.751SS**  trans-80.4129.8-160.5-8.827.3000111.8I41P39-I41 PolarHBondContact O-N 3.04Å
40I44.5Very low45.1Very low163 Ų163128.6 Ų128.684%0.83674%0.74SS**  trans-79.995.7166.1-59.8162.2000106.7
41I39.5Very low46.2Very low158 Ų158128 Ų12881%0.8174%0.737SS**  trans-168.1128.9150.8-87.7137.7000108.4P39P39-I41 PolarHBondContact O-N 3.04Å
42P48.1Very low47.6Very low128 Ų128128.7 Ų128.783%0.83172%0.722SS**  trans-85.7139.1-161.233.8-33.9000113.1
43G53.8Low49.3Very low61 Ų61128.4 Ų128.463%0.62970%0.704SS**  trans-68.6-175.4-178.800000115.7I45G43-I45 PolarHBondContact O-N 3.12Å
44P54.2Low50.7Low127 Ų127127.5 Ų127.583%0.82570%0.695SS**  trans-55.9136.4-165.321.9-33.1000112.1G46P44-G46 PolarHBondContact O-N 3.34Å
45I53.9Low52.6Low145 Ų145131.1 Ų131.174%0.74469%0.693SS**  trans-64.779.7179.1-52.2155.3000108.2G43 T49 I50G43-I45 PolarHBondContact O-N 3.12Å; I45-T49 WeakPolarHBondContact CA-OG1 3.27Å; I45-T49 WeakPolarHBondContact CG2-OG1 3.25Å; I45-I50 HydrophobicContact CG2-CD1 4.43Å; I45-I50 HydrophobicContact CG2-CG1 4.09Å
46G60.3Low54.2Low33 Ų33126.4 Ų126.434%0.3468%0.675SS.*  trans-72.6155.2174.400000109.6P44 K48 T49P44-G46 PolarHBondContact O-N 3.34Å; G46-K48 PolarHBondContact O-N 3.1Å; G46-T49 PolarHBondContact N-OG1 3.23Å; G46-T49 WeakPolarHBondContact O-CA 3.26Å; G46-T49 WeakPolarHBondContact O-CB 3.41Å; G46-T49 PolarHBondContact O-N 3.03Å; G46-T49 PolarHBondContact O-OG1 3.5Å
47L55.3Low56.3Low137 Ų137124.1 Ų124.172%0.71766%0.659SS**Hα-helixtrans-49.7-28.3172.6-128.8153.8000112.5T49 F51L47-T49 VanDerWaalsContact C-N 3.35Å; L47-T49 PolarHBondContact O-N 3.39Å; L47-F51 HydrophobicContact CD2-CD2 4.18Å; L47-F51 HydrophobicContact CD2-CE2 3.8Å
48K60.2Low58.3Low189 Ų189121 Ų12182%0.82265%0.649SS**Hα-helixtrans-63.7-32.2172.1-70.1-170.6175.9-177.70114.1G46 Y52G46-K48 PolarHBondContact O-N 3.1Å; K48-Y52 VanDerWaalsContact O-CB 3.28Å; K48-Y52 WeakPolarHBondContact O-CB 3.49Å
49T59.3Low60.6Low72 Ų72125.5 Ų125.544%0.44266%0.656SS.*Hα-helixtrans-78.3-34.2-177.8630000112.9I45 G46 L47 F51 Y52I45-T49 WeakPolarHBondContact CA-OG1 3.27Å; I45-T49 WeakPolarHBondContact CG2-OG1 3.25Å; G46-T49 PolarHBondContact N-OG1 3.23Å; G46-T49 WeakPolarHBondContact O-CA 3.26Å; G46-T49 WeakPolarHBondContact O-CB 3.41Å; G46-T49 PolarHBondContact O-N 3.03Å; G46-T49 PolarHBondContact O-OG1 3.5Å; L47-T49 VanDerWaalsContact C-N 3.35Å; L47-T49 PolarHBondContact O-N 3.39Å; T49-F51 VanDerWaalsContact C-N 3.28Å; T49-F51 PolarHBondContact O-N 3.18Å; T49-Y52 PolarHBondContact O-N 3.4Å
50I59.2Low62.6Low116 Ų116124.8 Ų124.860%0.59564%0.643SS**Hα-helixtrans-63.1-35.6-179.2-67.2169.9000111.7I45I45-I50 HydrophobicContact CG2-CD1 4.43Å; I45-I50 HydrophobicContact CG2-CG1 4.09Å
51F58Low64.4Low167 Ų167119.6 Ų119.673%0.73261%0.613SS**THydrogen-bonded Turntrans-99.88.3179.2-61.9-72.9000113.6L47 T49L47-F51 HydrophobicContact CD2-CD2 4.18Å; L47-F51 HydrophobicContact CD2-CE2 3.8Å; T49-F51 VanDerWaalsContact C-N 3.28Å; T49-F51 PolarHBondContact O-N 3.18Å
52Y61.8Low66.7Low133 Ų133119.4 Ų119.452%0.52261%0.606SS.*  trans-96.796.7179.6-166.9-86000110.2K48 T49 P54 R61K48-Y52 VanDerWaalsContact O-CB 3.28Å; K48-Y52 WeakPolarHBondContact O-CB 3.49Å; T49-Y52 PolarHBondContact O-N 3.4Å; Y52-P54 HydrophobicContact CD1-CG 4.03Å; Y52-P54 HydrophobicContact CE1-CB 4.13Å; Y52-P54 HydrophobicContact CE1-CG 3.99Å; Y52-P54 WeakPolarHBondContact O-CD 3.03Å; Y52-R61 VanDerWaalsContact CZ-NH1 3.33Å; Y52-R61 PolarHBondContact OH-NH1 2.91Å; Y52-R61 PolarHBondContact OH-NH2 3.31Å
53D68.8Low68.6Low66 Ų66117 Ų11735%0.35359%0.591SS.*  trans-86.9114.9161.3-164.7-22.5000109R55 W56 R61D53-R55 PolarHBondContact O-N 3.39Å; D53-R55 VanDerWaalsContact O-N 3.11Å; D53-R55 VanDerWaalsContact OD1-CB 3.31Å; D53-R55 WeakPolarHBondContact OD1-CB 3Å; D53-R55 VanDerWaalsContact OD1-CG 3.25Å; D53-R55 WeakPolarHBondContact OD1-CG 3.48Å; D53-R55 PolarHBondContact OD1-N 2.98Å; D53-W56 PolarHBondContact O-N 2.83Å; D53-R61 PolarHBondContact O-NH2 3.01Å
54P70.1Confident70.2Confident98 Ų98116.7 Ų116.764%0.63658%0.579SS**THydrogen-bonded Turntrans-58.6-19.7176.1-20.631.7000113.7Y52 W56Y52-P54 HydrophobicContact CD1-CG 4.03Å; Y52-P54 HydrophobicContact CE1-CB 4.13Å; Y52-P54 HydrophobicContact CE1-CG 3.99Å; Y52-P54 WeakPolarHBondContact O-CD 3.03Å; P54-W56 PolarHBondContact O-N 3.17Å
55R70.2Confident71.8Confident219 Ų219116.1 Ų116.183%0.82657%0.569SS**THydrogen-bonded Turntrans-70.4-12.9-174.7-65.2174.7179-161.30.8114.5D53D53-R55 PolarHBondContact O-N 3.39Å; D53-R55 VanDerWaalsContact O-N 3.11Å; D53-R55 VanDerWaalsContact OD1-CB 3.31Å; D53-R55 WeakPolarHBondContact OD1-CB 3Å; D53-R55 VanDerWaalsContact OD1-CG 3.25Å; D53-R55 WeakPolarHBondContact OD1-CG 3.48Å; D53-R55 PolarHBondContact OD1-N 2.98Å
56W68.9Low73.5Confident126 Ų126112.3 Ų112.348%0.47755%0.552SS.*SBendtrans-102.8136.6-173.4-65.2-1.3000113.3D53 P54 R61 C64D53-W56 PolarHBondContact O-N 2.83Å; P54-W56 PolarHBondContact O-N 3.17Å; W56-R61 HydrophobicContact CB-CG 3.78Å; W56-R61 HydrophobicContact CE3-CG 4.22Å; W56-R61 PolarHBondContact O-NE 2.65Å; W56-C64 HydrophobicContact CZ3-CB 3.96Å
57S80.1Confident75.1Confident50 Ų50114.3 Ų114.335%0.3556%0.558SS.*  trans-67.6153.517369.20000111.6R59 Q60 R61S57-R59 PolarHBondContact O-N 2.86Å; S57-R59 VanDerWaalsContact O-N 3.14Å; S57-Q60 PolarHBondContact O-N 3.15Å; S57-Q60 VanDerWaalsContact OG-CD 3.29Å; S57-Q60 VanDerWaalsContact OG-CG 3.31Å; S57-Q60 WeakPolarHBondContact OG-CG 3.18Å; S57-Q60 PolarHBondContact OG-N 3.18Å; S57-Q60 PolarHBondContact OG-OE1 2.68Å; S57-R61 WeakPolarHBondContact O-CG 3.47Å; S57-R61 PolarHBondContact O-N 3.31Å
58P80.2Confident76.8Confident104 Ų104110 Ų11068%0.67554%0.542SS*.Hα-helixtrans-54.4-35.8179.7-27.134.4000113.9F62P58-F62 PolarHBondContact O-N 3.06Å; P58-F62 VanDerWaalsContact O-N 3.14Å
59R83.2Confident78.4Confident223 Ų223105.7 Ų105.784%0.84253%0.531SS*.Hα-helixtrans-68.8-42.8177.5-67.2-175.6179.5175.2-0112.3S57 R61 F62 C63S57-R59 PolarHBondContact O-N 2.86Å; S57-R59 VanDerWaalsContact O-N 3.14Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R59-F62 PolarHBondContact O-N 2.79Å; R59-C63 PolarHBondContact O-N 3.47Å; R59-C63 VanDerWaalsContact O-N 3.12Å
60Q85.3Confident80.1Confident106 Ų106106 Ų10650%0.49553%0.533SS..Hα-helixtrans-62.9-41.7175.8-75.4165.7-35.200111.1S57 C63 C64S57-Q60 PolarHBondContact O-N 3.15Å; S57-Q60 VanDerWaalsContact OG-CD 3.29Å; S57-Q60 VanDerWaalsContact OG-CG 3.31Å; S57-Q60 WeakPolarHBondContact OG-CG 3.18Å; S57-Q60 PolarHBondContact OG-N 3.18Å; S57-Q60 PolarHBondContact OG-OE1 2.68Å; Q60-C63 PolarHBondContact O-N 3.07Å; Q60-C64 PolarHBondContact O-N 3.22Å; Q60-C64 PolarHBondContact O-SG 3.15Å
61R82.9Confident81.9Confident54 Ų54105 Ų10520%0.20453%0.528CS..Hα-helixtrans-60-48.5177.3-69.6177.6179.31690.6112.6Y52 D53 W56 S57 R59 C63 C64 L65Y52-R61 VanDerWaalsContact CZ-NH1 3.33Å; Y52-R61 PolarHBondContact OH-NH1 2.91Å; Y52-R61 PolarHBondContact OH-NH2 3.31Å; D53-R61 PolarHBondContact O-NH2 3.01Å; W56-R61 HydrophobicContact CB-CG 3.78Å; W56-R61 HydrophobicContact CE3-CG 4.22Å; W56-R61 PolarHBondContact O-NE 2.65Å; S57-R61 WeakPolarHBondContact O-CG 3.47Å; S57-R61 PolarHBondContact O-N 3.31Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 3.26Å; R61-C64 PolarHBondContact O-N 2.83Å; R61-L65 WeakPolarHBondContact O-CB 3.47Å; R61-L65 WeakPolarHBondContact O-CG 3.04Å; R61-L65 PolarHBondContact O-N 2.95Å
62F86.5Confident83.6Confident154 Ų154101 Ų10168%0.67552%0.517SS*.Hα-helixtrans-59.4-46178-173.2-97.9000110.9P58 R59 C64 L65 T66P58-F62 PolarHBondContact O-N 3.06Å; P58-F62 VanDerWaalsContact O-N 3.14Å; R59-F62 PolarHBondContact O-N 2.79Å; F62-C64 PolarHBondContact O-N 3.21Å; F62-L65 PolarHBondContact O-N 3.23Å; F62-T66 WeakPolarHBondContact O-CB 3.34Å; F62-T66 PolarHBondContact O-N 3.45Å; F62-T66 PolarHBondContact O-OG1 2.72Å
63C87.8Confident85.3Confident76 Ų7698.4 Ų98.451%0.51452%0.517SS..Hα-helixtrans-58.7-49.5176.5-175.50000112.5R59 Q60 R61 L65 T66 V67R59-C63 PolarHBondContact O-N 3.47Å; R59-C63 VanDerWaalsContact O-N 3.12Å; Q60-C63 PolarHBondContact O-N 3.07Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 3.26Å; C63-L65 PolarHBondContact O-N 3.07Å; C63-T66 PolarHBondContact O-N 3.11Å; C63-V67 VanDerWaalsContact O-CG2 3.31Å; C63-V67 WeakPolarHBondContact O-CG2 3.17Å; C63-V67 PolarHBondContact O-N 3Å
64C88Confident86.6Confident56 Ų5698.7 Ų98.738%0.37852%0.524SS..Hα-helixtrans-63.3-42179.7-680000112.7W56 Q60 R61 F62 V67 A68W56-C64 HydrophobicContact CZ3-CB 3.96Å; Q60-C64 PolarHBondContact O-N 3.22Å; Q60-C64 PolarHBondContact O-SG 3.15Å; R61-C64 PolarHBondContact O-N 2.83Å; F62-C64 PolarHBondContact O-N 3.21Å; C64-V67 PolarHBondContact O-N 3.26Å; C64-A68 WeakPolarHBondContact O-CB 3.4Å; C64-A68 PolarHBondContact O-N 2.87Å
65L88.6Confident87.9Confident115 Ų11597.3 Ų97.360%0.60252%0.516SS*.Hα-helixtrans-66-42.3177.4-72.2173.2000111.6R61 F62 C63 V67 A68 V69R61-L65 WeakPolarHBondContact O-CB 3.47Å; R61-L65 WeakPolarHBondContact O-CG 3.04Å; R61-L65 PolarHBondContact O-N 2.95Å; F62-L65 PolarHBondContact O-N 3.23Å; C63-L65 PolarHBondContact O-N 3.07Å; L65-V67 PolarHBondContact O-N 3.27Å; L65-A68 PolarHBondContact O-N 3.38Å; L65-V69 WeakPolarHBondContact O-CB 3.4Å; L65-V69 VanDerWaalsContact O-CG2 3.26Å; L65-V69 WeakPolarHBondContact O-CG2 3.34Å; L65-V69 PolarHBondContact O-N 3.4Å
66T89.3Confident89.2Confident65 Ų6591.5 Ų91.540%0.39950%0.5SS..Hα-helixtrans-60.6-46.2175.1-57.20000111F62 C63 A68 V69 V70F62-T66 WeakPolarHBondContact O-CB 3.34Å; F62-T66 PolarHBondContact O-N 3.45Å; F62-T66 PolarHBondContact O-OG1 2.72Å; C63-T66 PolarHBondContact O-N 3.11Å; T66-A68 PolarHBondContact O-N 2.83Å; T66-V69 PolarHBondContact O-N 3.09Å; T66-V70 HydrophobicContact CG2-CG2 4.48Å; T66-V70 VanDerWaalsContact O-CG2 3.27Å; T66-V70 WeakPolarHBondContact O-CG2 3.49Å; T66-V70 PolarHBondContact O-N 2.95Å
67V93.2Very high90.5Very high75 Ų7588.2 Ų88.246%0.45550%0.5SS..Hα-helixtrans-61.7-44.5176.9172.10000111.1C63 C64 L65 V69 V70 I71C63-V67 VanDerWaalsContact O-CG2 3.31Å; C63-V67 WeakPolarHBondContact O-CG2 3.17Å; C63-V67 PolarHBondContact O-N 3Å; C64-V67 PolarHBondContact O-N 3.26Å; L65-V67 PolarHBondContact O-N 3.27Å; V67-V69 PolarHBondContact O-N 2.81Å; V67-V70 PolarHBondContact O-N 3.13Å; V67-I71 HydrophobicContact CG1-CD1 3.63Å; V67-I71 HydrophobicContact CG1-CG1 4.34Å; V67-I71 WeakPolarHBondContact O-CB 3.49Å; V67-I71 VanDerWaalsContact O-CG1 3.24Å; V67-I71 WeakPolarHBondContact O-CG1 3.33Å; V67-I71 PolarHBondContact O-N 3.16Å
68A91.7Very high91.3Very high47 Ų4790.6 Ų90.639%0.38851%0.512SS..Hα-helixtrans-62.2-42177.800000112.5C64 L65 T66 I71 T72C64-A68 WeakPolarHBondContact O-CB 3.4Å; C64-A68 PolarHBondContact O-N 2.87Å; L65-A68 PolarHBondContact O-N 3.38Å; T66-A68 PolarHBondContact O-N 2.83Å; A68-I71 PolarHBondContact O-N 3.08Å; A68-T72 WeakPolarHBondContact O-CB 3.34Å; A68-T72 PolarHBondContact O-N 3.35Å; A68-T72 PolarHBondContact O-OG1 3.16Å
69V94Very high92.1Very high97 Ų9789.7 Ų89.759%0.58850%0.502SS*.Hα-helixtrans-65.6-43.7177.1169.70000111.1L65 T66 V67 T72 C73L65-V69 WeakPolarHBondContact O-CB 3.4Å; L65-V69 VanDerWaalsContact O-CG2 3.26Å; L65-V69 WeakPolarHBondContact O-CG2 3.34Å; L65-V69 PolarHBondContact O-N 3.4Å; T66-V69 PolarHBondContact O-N 3.09Å; V67-V69 PolarHBondContact O-N 2.81Å; V69-T72 PolarHBondContact O-N 3.37Å; V69-C73 VanDerWaalsContact O-CB 3.31Å; V69-C73 WeakPolarHBondContact O-CB 3.37Å; V69-C73 PolarHBondContact O-N 3.44Å
70V95.2Very high92.7Very high80 Ų8084.1 Ų84.149%0.48549%0.487SS..Hα-helixtrans-61.9-47.8176.6171.10000110.6T66 V67 T72 C73 C74T66-V70 HydrophobicContact CG2-CG2 4.48Å; T66-V70 VanDerWaalsContact O-CG2 3.27Å; T66-V70 WeakPolarHBondContact O-CG2 3.49Å; T66-V70 PolarHBondContact O-N 2.95Å; V67-V70 PolarHBondContact O-N 3.13Å; V70-T72 PolarHBondContact O-N 3.36Å; V70-C73 PolarHBondContact O-N 3.23Å; V70-C74 PolarHBondContact O-N 3.09Å; V70-C74 PolarHBondContact O-SG 3.44Å
71I95.3Very high93.3Very high95 Ų9582.1 Ų82.149%0.48749%0.489SS..Hα-helixtrans-59.4-47176.9-68.9168.3000110.6V67 A68 C73 C74 C75V67-I71 HydrophobicContact CG1-CD1 3.63Å; V67-I71 HydrophobicContact CG1-CG1 4.34Å; V67-I71 WeakPolarHBondContact O-CB 3.49Å; V67-I71 VanDerWaalsContact O-CG1 3.24Å; V67-I71 WeakPolarHBondContact O-CG1 3.33Å; V67-I71 PolarHBondContact O-N 3.16Å; A68-I71 PolarHBondContact O-N 3.08Å; I71-C73 VanDerWaalsContact C-N 3.32Å; I71-C73 PolarHBondContact O-N 3.2Å; I71-C74 PolarHBondContact O-N 3.14Å; I71-C75 PolarHBondContact O-N 2.94Å; I71-C75 PolarHBondContact O-SG 3.14Å
72T95.4Very high93.9Very high81 Ų8183.8 Ų83.850%0.49750%0.501SS..Hα-helixtrans-60.8-43178.5-54.40000111.1A68 V69 V70 C75 L76A68-T72 WeakPolarHBondContact O-CB 3.34Å; A68-T72 PolarHBondContact O-N 3.35Å; A68-T72 PolarHBondContact O-OG1 3.16Å; V69-T72 PolarHBondContact O-N 3.37Å; V70-T72 PolarHBondContact O-N 3.36Å; T72-C75 PolarHBondContact O-N 3.12Å; T72-L76 HydrophobicContact CG2-CD1 4.21Å; T72-L76 HydrophobicContact CG2-CG 4.45Å; T72-L76 WeakPolarHBondContact O-CB 3.31Å; T72-L76 VanDerWaalsContact O-CG 3.28Å; T72-L76 WeakPolarHBondContact O-CG 3.28Å; T72-L76 PolarHBondContact O-N 3.47Å
73C96.5Very high94.5Very high79 Ų7983.2 Ų83.253%0.53450%0.499SS..Hα-helixtrans-62.5-43.6176.2-174.40000111.9V69 V70 I71 L76 A77V69-C73 VanDerWaalsContact O-CB 3.31Å; V69-C73 WeakPolarHBondContact O-CB 3.37Å; V69-C73 PolarHBondContact O-N 3.44Å; V70-C73 PolarHBondContact O-N 3.23Å; I71-C73 VanDerWaalsContact C-N 3.32Å; I71-C73 PolarHBondContact O-N 3.2Å; C73-L76 PolarHBondContact O-N 3.26Å; C73-A77 WeakPolarHBondContact O-CB 3.41Å; C73-A77 PolarHBondContact O-N 3.35Å
74C96.6Very high94.9Very high72 Ų7283.6 Ų83.649%0.48650%0.499SS..Hα-helixtrans-61.5-44.8173.7-690000111.9V70 I71 A77 V78V70-C74 PolarHBondContact O-N 3.09Å; V70-C74 PolarHBondContact O-SG 3.44Å; I71-C74 PolarHBondContact O-N 3.14Å; C74-A77 PolarHBondContact O-N 3.44Å; C74-V78 WeakPolarHBondContact O-CG2 3.38Å; C74-V78 PolarHBondContact O-N 3.28Å
75C96.9Very high95.3Very high70 Ų7082.4 Ų82.447%0.47350%0.496SS..Hα-helixtrans-60.8-45176-69.70000111.7I71 T72 V78 L79I71-C75 PolarHBondContact O-N 2.94Å; I71-C75 PolarHBondContact O-SG 3.14Å; T72-C75 PolarHBondContact O-N 3.12Å; C75-V78 PolarHBondContact O-N 2.93Å; C75-L79 WeakPolarHBondContact O-CB 3.29Å; C75-L79 VanDerWaalsContact O-CG 3.29Å; C75-L79 WeakPolarHBondContact O-CG 3.25Å; C75-L79 PolarHBondContact O-N 2.77Å
76L96.9Very high95.7Very high96 Ų9681.2 Ų81.250%0.50349%0.489SS..Hα-helixtrans-63.4-41.6176.8-70.2174.4000111.9T72 C73 V78 L79 I80T72-L76 HydrophobicContact CG2-CD1 4.21Å; T72-L76 HydrophobicContact CG2-CG 4.45Å; T72-L76 WeakPolarHBondContact O-CB 3.31Å; T72-L76 VanDerWaalsContact O-CG 3.28Å; T72-L76 WeakPolarHBondContact O-CG 3.28Å; T72-L76 PolarHBondContact O-N 3.47Å; C73-L76 PolarHBondContact O-N 3.26Å; L76-V78 PolarHBondContact O-N 3.14Å; L76-L79 PolarHBondContact O-N 2.8Å; L76-I80 WeakPolarHBondContact O-CB 3.33Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.3Å; L76-I80 PolarHBondContact O-N 2.93Å
77A96.4Very high96Very high57 Ų5779.9 Ų79.947%0.47149%0.489SS..Hα-helixtrans-62.1-43176.700000111.9C73 C74 I80 A81C73-A77 WeakPolarHBondContact O-CB 3.41Å; C73-A77 PolarHBondContact O-N 3.35Å; C74-A77 PolarHBondContact O-N 3.44Å; A77-I80 PolarHBondContact O-N 2.72Å; A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 2.81Å
78V96.7Very high96.2Very high100 Ų10083 Ų8361%0.60650%0.498SS*.Hα-helixtrans-64-43.3175.1172.20000111.1C74 C75 L76 A81 L82C74-V78 WeakPolarHBondContact O-CG2 3.38Å; C74-V78 PolarHBondContact O-N 3.28Å; C75-V78 PolarHBondContact O-N 2.93Å; L76-V78 PolarHBondContact O-N 3.14Å; V78-A81 PolarHBondContact O-N 2.89Å; V78-L82 WeakPolarHBondContact O-CB 3.34Å; V78-L82 PolarHBondContact O-N 2.86Å
79L97Very high96.4Very high86 Ų8684.5 Ų84.545%0.4550%0.503SS..Hα-helixtrans-62.7-44.9177-73.5173000111.9C75 L76 L82 F83C75-L79 WeakPolarHBondContact O-CB 3.29Å; C75-L79 VanDerWaalsContact O-CG 3.29Å; C75-L79 WeakPolarHBondContact O-CG 3.25Å; C75-L79 PolarHBondContact O-N 2.77Å; L76-L79 PolarHBondContact O-N 2.8Å; L79-L82 WeakPolarHBondContact O-CB 3.36Å; L79-L82 PolarHBondContact O-N 3.14Å; L79-F83 WeakPolarHBondContact O-CD2 3.49Å; L79-F83 PolarHBondContact O-N 2.83Å
80I96.9Very high96.5Very high106 Ų10684.5 Ų84.554%0.54450%0.499SS..Hα-helixtrans-61.9-46.2177-68.5164.9000110.4L76 A77 L82 F83 V84L76-I80 WeakPolarHBondContact O-CB 3.33Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.3Å; L76-I80 PolarHBondContact O-N 2.93Å; A77-I80 PolarHBondContact O-N 2.72Å; I80-L82 VanDerWaalsContact C-N 3.27Å; I80-L82 PolarHBondContact O-N 3.27Å; I80-F83 PolarHBondContact O-N 3.44Å; I80-V84 HydrophobicContact CG2-CG2 4.34Å; I80-V84 WeakPolarHBondContact O-CG2 3.29Å; I80-V84 PolarHBondContact O-N 2.83Å
81A96.8Very high96.4Very high63 Ų6383.5 Ų83.552%0.52150%0.499SS..Hα-helixtrans-59.4-40.5176.900000111.7A77 V78 V84 G85A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 2.81Å; V78-A81 PolarHBondContact O-N 2.89Å; A81-V84 PolarHBondContact O-N 3.45Å; A81-G85 PolarHBondContact O-N 3.14Å
82L97.2Very high96.4Very high89 Ų8987.2 Ų87.247%0.46651%0.508SS..Hα-helixtrans-64.8-45175.5-176.5150.4000111.7V78 L79 I80 G85 L86V78-L82 WeakPolarHBondContact O-CB 3.34Å; V78-L82 PolarHBondContact O-N 2.86Å; L79-L82 WeakPolarHBondContact O-CB 3.36Å; L79-L82 PolarHBondContact O-N 3.14Å; I80-L82 VanDerWaalsContact C-N 3.27Å; I80-L82 PolarHBondContact O-N 3.27Å; L82-G85 PolarHBondContact O-N 3.01Å; L82-L86 HydrophobicContact CD2-CD1 3.42Å; L82-L86 VanDerWaalsContact CD2-CD1 3.42Å; L82-L86 HydrophobicContact CD2-CG 4.15Å; L82-L86 HydrophobicContact CG-CD1 4.24Å; L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.27Å; L82-L86 PolarHBondContact O-N 3.35Å
83F97.1Very high96.2Very high142 Ų14287.2 Ų87.262%0.62350%0.504SS*.Hα-helixtrans-64.4-40.1176.6-81.9-66.1000112.7L79 I80 G87L79-F83 WeakPolarHBondContact O-CD2 3.49Å; L79-F83 PolarHBondContact O-N 2.83Å; I80-F83 PolarHBondContact O-N 3.44Å; F83-G87 PolarHBondContact O-N 3.27Å
84V97Very high96Very high85 Ų8587.6 Ų87.652%0.51550%0.501SS..Hα-helixtrans-64.6-46.8175.6172.60000110.4I80 A81 G87 Q88I80-V84 HydrophobicContact CG2-CG2 4.34Å; I80-V84 WeakPolarHBondContact O-CG2 3.29Å; I80-V84 PolarHBondContact O-N 2.83Å; A81-V84 PolarHBondContact O-N 3.45Å; V84-G87 PolarHBondContact O-N 3.4Å; V84-Q88 WeakPolarHBondContact O-CG 3.28Å; V84-Q88 PolarHBondContact O-N 3.31Å
85G96.1Very high95.6Very high31 Ų3192.9 Ų92.932%0.3251%0.51SS..Hα-helixtrans-60.5-49.217700000112.5A81 L82 G87 Q88 V89A81-G85 PolarHBondContact O-N 3.14Å; L82-G85 PolarHBondContact O-N 3.01Å; G85-G87 PolarHBondContact O-N 3.15Å; G85-Q88 PolarHBondContact O-N 3.07Å; G85-V89 WeakPolarHBondContact O-CG2 3.36Å; G85-V89 PolarHBondContact O-N 3.34Å
86L97.2Very high95.2Very high89 Ų8991.5 Ų91.547%0.46650%0.502SS..Hα-helixtrans-62.2-42.5176.1-73.1-179.7000112L82 Q88 V89 I90L82-L86 HydrophobicContact CD2-CD1 3.42Å; L82-L86 VanDerWaalsContact CD2-CD1 3.42Å; L82-L86 HydrophobicContact CD2-CG 4.15Å; L82-L86 HydrophobicContact CG-CD1 4.24Å; L82-L86 WeakPolarHBondContact O-CB 3.49Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.27Å; L82-L86 PolarHBondContact O-N 3.35Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; L86-Q88 PolarHBondContact O-N 2.98Å; L86-V89 PolarHBondContact O-N 3.04Å; L86-I90 WeakPolarHBondContact O-CB 3.15Å; L86-I90 VanDerWaalsContact O-CG1 3.26Å; L86-I90 WeakPolarHBondContact O-CG1 3.3Å; L86-I90 PolarHBondContact O-N 3.29Å
87G96.8Very high94.7Very high38 Ų3891.2 Ų91.239%0.39250%0.5SS..Hα-helixtrans-60.3-4117800000112.5F83 V84 G85 A91F83-G87 PolarHBondContact O-N 3.27Å; V84-G87 PolarHBondContact O-N 3.4Å; G85-G87 PolarHBondContact O-N 3.15Å; G87-A91 VanDerWaalsContact O-CB 3.23Å; G87-A91 WeakPolarHBondContact O-CB 3.44Å; G87-A91 PolarHBondContact O-N 3.2Å
88Q96Very high94.2Very high139 Ų13997.8 Ų97.865%0.6551%0.513SS*.Hα-helixtrans-66.2-43.2175.1-73.6-173.6-18.200112.4V84 G85 L86 A91 Y92V84-Q88 WeakPolarHBondContact O-CG 3.28Å; V84-Q88 PolarHBondContact O-N 3.31Å; G85-Q88 PolarHBondContact O-N 3.07Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; L86-Q88 PolarHBondContact O-N 2.98Å; Q88-A91 PolarHBondContact O-N 2.86Å; Q88-Y92 WeakPolarHBondContact O-CB 3.18Å; Q88-Y92 PolarHBondContact O-N 3.27Å
89V96.7Very high93.6Very high80 Ų8096.7 Ų96.749%0.48550%0.503SS..Hα-helixtrans-64.3-45.6177.8173.50000111.2G85 L86 A91 Y92 I93G85-V89 WeakPolarHBondContact O-CG2 3.36Å; G85-V89 PolarHBondContact O-N 3.34Å; L86-V89 PolarHBondContact O-N 3.04Å; V89-A91 PolarHBondContact O-N 3.39Å; V89-Y92 WeakPolarHBondContact O-CB 3.44Å; V89-Y92 PolarHBondContact O-N 2.79Å; V89-I93 HydrophobicContact CG1-CD1 3.87Å; V89-I93 WeakPolarHBondContact O-CG1 3.23Å; V89-I93 PolarHBondContact O-N 3.2Å
90I95Very high93.1Very high97 Ų9796.9 Ų96.950%0.49750%0.501SS..Hα-helixtrans-62.8-43.4177-67.1165.1000110.7L86 Y92 I93 N94L86-I90 WeakPolarHBondContact O-CB 3.15Å; L86-I90 VanDerWaalsContact O-CG1 3.26Å; L86-I90 WeakPolarHBondContact O-CG1 3.3Å; L86-I90 PolarHBondContact O-N 3.29Å; I90-Y92 VanDerWaalsContact C-N 3.3Å; I90-Y92 PolarHBondContact O-N 3.12Å; I90-I93 PolarHBondContact O-N 3.26Å; I90-N94 WeakPolarHBondContact O-CB 3.43Å; I90-N94 VanDerWaalsContact O-CG 3.27Å; I90-N94 PolarHBondContact O-N 3.17Å; I90-N94 PolarHBondContact O-ND2 3.32Å
91A94.6Very high92.6Very high59 Ų5994.1 Ų94.149%0.48849%0.494SS..Hα-helixtrans-62.9-38176.800000112.2G87 Q88 V89 R95G87-A91 VanDerWaalsContact O-CB 3.23Å; G87-A91 WeakPolarHBondContact O-CB 3.44Å; G87-A91 PolarHBondContact O-N 3.2Å; Q88-A91 PolarHBondContact O-N 2.86Å; V89-A91 PolarHBondContact O-N 3.39Å; A91-R95 WeakPolarHBondContact O-CB 3.49Å; A91-R95 PolarHBondContact O-N 2.95Å
92Y94.1Very high92.3Very high172 Ų17291.8 Ų91.868%0.67547%0.474SS*.Hα-helixtrans-65-49176.2177.1-96.1000112.1Q88 V89 I90 R95 S96Q88-Y92 WeakPolarHBondContact O-CB 3.18Å; Q88-Y92 PolarHBondContact O-N 3.27Å; V89-Y92 WeakPolarHBondContact O-CB 3.44Å; V89-Y92 PolarHBondContact O-N 2.79Å; I90-Y92 VanDerWaalsContact C-N 3.3Å; I90-Y92 PolarHBondContact O-N 3.12Å; Y92-R95 PolarHBondContact O-N 3.29Å; Y92-S96 PolarHBondContact O-N 3.18Å
93I92.3Very high92.1Very high82 Ų8287.6 Ų87.642%0.42145%0.451SS..Hα-helixtrans-61.1-49.9178.4-65.6165.8000110.2V89 I90 R95 S96 D97V89-I93 HydrophobicContact CG1-CD1 3.87Å; V89-I93 WeakPolarHBondContact O-CG1 3.23Å; V89-I93 PolarHBondContact O-N 3.2Å; I90-I93 PolarHBondContact O-N 3.26Å; I93-R95 PolarHBondContact O-N 3.33Å; I93-S96 WeakPolarHBondContact O-CA 3.23Å; I93-S96 WeakPolarHBondContact O-CB 3.2Å; I93-S96 PolarHBondContact O-N 3.47Å; I93-D97 PolarHBondContact O-N 3.12Å
94N92Very high92Very high87 Ų8780.9 Ų80.947%0.46542%0.422SS..Hα-helixtrans-57.8-35.9177.8-75.6-23000112.7I90 R98I90-N94 WeakPolarHBondContact O-CB 3.43Å; I90-N94 VanDerWaalsContact O-CG 3.27Å; I90-N94 PolarHBondContact O-N 3.17Å; I90-N94 PolarHBondContact O-ND2 3.32Å; N94-R98 WeakPolarHBondContact O-CB 3.44Å; N94-R98 VanDerWaalsContact O-CG 3.28Å; N94-R98 WeakPolarHBondContact O-CG 3.4Å; N94-R98 PolarHBondContact O-N 3.46Å; N94-R98 VanDerWaalsContact O-N 3.1Å
95R88.9Confident92Very high182 Ų18278.9 Ų78.969%0.68741%0.406SS*.Hα-helixtrans-68.7-43.2175.3-176.2176.5-176.7125.23.7111.2A91 Y92 I93 R98 L99A91-R95 WeakPolarHBondContact O-CB 3.49Å; A91-R95 PolarHBondContact O-N 2.95Å; Y92-R95 PolarHBondContact O-N 3.29Å; I93-R95 PolarHBondContact O-N 3.33Å; R95-R98 PolarHBondContact O-N 3.26Å; R95-L99 HydrophobicContact CG-CD1 4.25Å; R95-L99 WeakPolarHBondContact O-CG 3.36Å; R95-L99 PolarHBondContact O-N 2.78Å
96S86.6Confident92Very high42 Ų4278 Ų7829%0.29439%0.393SS..Hα-helixtrans-60.8-46176.4-171.30000111.3Y92 I93 R98 L99 K100Y92-S96 PolarHBondContact O-N 3.18Å; I93-S96 WeakPolarHBondContact O-CA 3.23Å; I93-S96 WeakPolarHBondContact O-CB 3.2Å; I93-S96 PolarHBondContact O-N 3.47Å; S96-R98 PolarHBondContact O-N 2.89Å; S96-L99 PolarHBondContact O-N 3.03Å; S96-L99 VanDerWaalsContact O-N 3.15Å; S96-K100 PolarHBondContact O-N 2.87Å
97D87Confident91.9Very high89 Ų8974 Ų7448%0.47637%0.373SS..Hα-helixtrans-62.8-41.3179-67.4-22.3000112.1I93 L99 K100 A101I93-D97 PolarHBondContact O-N 3.12Å; D97-L99 VanDerWaalsContact C-N 3.33Å; D97-L99 PolarHBondContact O-N 2.94Å; D97-K100 PolarHBondContact O-N 2.81Å; D97-A101 VanDerWaalsContact O-CB 3.29Å; D97-A101 WeakPolarHBondContact O-CB 3.47Å; D97-A101 PolarHBondContact O-N 2.97Å
98R86.2Confident91.8Very high196 Ų19672.2 Ų72.274%0.7435%0.354SS*.Hα-helixtrans-62.1-40.6174.4-77.9179.4176.9-159.7-0.9112.4N94 R95 S96 A101 S102N94-R98 WeakPolarHBondContact O-CB 3.44Å; N94-R98 VanDerWaalsContact O-CG 3.28Å; N94-R98 WeakPolarHBondContact O-CG 3.4Å; N94-R98 PolarHBondContact O-N 3.46Å; N94-R98 VanDerWaalsContact O-N 3.1Å; R95-R98 PolarHBondContact O-N 3.26Å; S96-R98 PolarHBondContact O-N 2.89Å; R98-A101 PolarHBondContact O-N 3.27Å; R98-S102 PolarHBondContact O-N 2.89Å
99L85Confident91.7Very high76 Ų7667.1 Ų67.140%0.39833%0.331SS..Hα-helixtrans-67.6-44.3176.5-72169000111.3R95 S96 D97 A101 S102R95-L99 HydrophobicContact CG-CD1 4.25Å; R95-L99 WeakPolarHBondContact O-CG 3.36Å; R95-L99 PolarHBondContact O-N 2.78Å; S96-L99 PolarHBondContact O-N 3.03Å; S96-L99 VanDerWaalsContact O-N 3.15Å; D97-L99 VanDerWaalsContact C-N 3.33Å; D97-L99 PolarHBondContact O-N 2.94Å; L99-A101 PolarHBondContact O-N 3.31Å; L99-S102 PolarHBondContact O-N 3.33Å; L99-S102 VanDerWaalsContact O-N 3.07Å
100K84.9Confident91.5Very high91 Ų9163.8 Ų63.840%0.39631%0.311SS..Hα-helixtrans-63.9-25.2175.1-70.4-168.7177-156.60113.1S96 D97 S102 D111 I306S96-K100 PolarHBondContact O-N 2.87Å; D97-K100 PolarHBondContact O-N 2.81Å; K100-S102 VanDerWaalsContact C-N 3.34Å; K100-D111 IonicContact NZ-OD2 2.72Å; K100-D111 PolarHBondContact NZ-OD2 3.36Å; K100-I306 HydrophobicContact CG-CD1 4.29Å
101A87.2Confident91.2Very high48 Ų4864.4 Ų64.440%0.39732%0.315SS..THydrogen-bonded Turntrans-81.6-10.6175.200000114D97 R98 L99 R197D97-A101 VanDerWaalsContact O-CB 3.29Å; D97-A101 WeakPolarHBondContact O-CB 3.47Å; D97-A101 PolarHBondContact O-N 2.97Å; R98-A101 PolarHBondContact O-N 3.27Å; L99-A101 PolarHBondContact O-N 3.31Å; A101-R197 WeakPolarHBondContact O-CB 3.17Å
102S91.3Very high90.8Very high14 Ų1468.7 Ų68.710%0.09833%0.327CS..SBendtrans-117.8131.6-174.3-179.60000111.5R98 L99 K100 N198 E304 G305 I306R98-S102 PolarHBondContact O-N 2.89Å; L99-S102 PolarHBondContact O-N 3.33Å; L99-S102 VanDerWaalsContact O-N 3.07Å; K100-S102 VanDerWaalsContact C-N 3.34Å; S102-N198 WeakPolarHBondContact CA-O 3.32Å; S102-N198 PolarHBondContact OG-O 3.44Å; S102-E304 WeakPolarHBondContact CB-O 3.3Å; S102-E304 PolarHBondContact OG-O 2.97Å; S102-G305 WeakPolarHBondContact O-CA 3.49Å; S102-G305 WeakPolarHBondContact OG-CA 3.37Å; S102-I306 PolarHBondContact O-N 2.97Å
103G93Very high90.4Very high0 Ų062.1 Ų62.10%030%0.302CS..EExtended strand (participates in β ladder)trans84.7-147.4179.600000114.4R197 N198 I306G103-R197 PolarHBondContact N-O 2.84Å; G103-R197 WeakPolarHBondContact O-CB 3.44Å; G103-R197 PolarHBondContact O-N 2.89Å; G103-N198 PolarHBondContact N-O 3.38Å; G103-I306 CarbonylContact C-O 3.48Å; G103-I306 WeakPolarHBondContact CA-O 3.14Å
104L95.2Very high90Very high2 Ų266.7 Ų66.71%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-69.9134.4-173.5-16665.2000111.3F194 V195 I233 F261 I295 I306 I309L104-F194 HydrophobicContact CD1-CB 4.03Å; L104-F194 HydrophobicContact CD1-CD1 3.91Å; L104-F194 HydrophobicContact CD1-CG 4.4Å; L104-F194 HydrophobicContact CD2-CD1 4.01Å; L104-F194 HydrophobicContact CD2-CE1 4.31Å; L104-F194 HydrophobicContact CG-CD1 3.92Å; L104-V195 CarbonylContact C-O 3.56Å; L104-V195 WeakPolarHBondContact CA-O 3.45Å; L104-I233 HydrophobicContact CD1-CD1 4.21Å; L104-I233 HydrophobicContact CD2-CD1 4.36Å; L104-F261 HydrophobicContact CD1-CE2 3.88Å; L104-F261 HydrophobicContact CD1-CZ 3.71Å; L104-I295 HydrophobicContact CD1-CG2 4.03Å; L104-I295 HydrophobicContact CD2-CG2 4.43Å; L104-I306 HydrophobicContact CB-CG2 4.41Å; L104-I306 WeakPolarHBondContact CB-O 3.35Å; L104-I306 PolarHBondContact N-O 3.41Å; L104-I309 HydrophobicContact CB-CD1 4.3Å; L104-I309 HydrophobicContact CD2-CD1 4.18Å; L104-I309 HydrophobicContact CD2-CG1 4.1Å; L104-I309 HydrophobicContact CG-CD1 3.87Å; L104-I309 HydrophobicContact CG-CG1 4.26Å
105Y95.1Very high89.5Confident42 Ų4267 Ų6717%0.16533%0.328CS..EExtended strand (participates in β ladder)trans-136.8146.7175.9174.2-106.3000110.8V107 D109 Y140 F194 V195 R197Y105-V107 HydrophobicContact CD1-CG2 3.79Å; Y105-V107 HydrophobicContact CE1-CG2 3.24Å; Y105-D109 HydrophobicContact CE2-CB 4.33Å; Y105-D109 WeakPolarHBondContact OH-CB 3.43Å; Y105-D109 PolarHBondContact OH-OD2 3.32Å; Y105-Y140 HydrophobicContact CE1-CE2 4.41Å; Y105-F194 CarbonylContact O-C 3.56Å; Y105-F194 WeakPolarHBondContact O-CA 3.34Å; Y105-V195 HydrophobicContact CD1-CB 4.27Å; Y105-V195 HydrophobicContact CD1-CG2 4.08Å; Y105-V195 PolarHBondContact N-O 3.42Å; Y105-V195 PolarHBondContact O-N 3.32Å; Y105-R197 VanDerWaalsContact CG-CZ 3.45Å; Y105-R197 PolarHBondContact OH-NH2 3.49Å
106M96Very high89.5Confident13 Ų1361.9 Ų61.96%0.06432%0.32CS..EExtended strand (participates in β ladder)trans-110.6138.9-176.7178.4175.8160.300110.9L110 V192 L193 F194 I309 F311M106-L110 HydrophobicContact CE-CD1 3.64Å; M106-L110 HydrophobicContact CE-CG 3.88Å; M106-V192 HydrophobicContact CE-CG1 3.58Å; M106-V192 HydrophobicContact CE-CG2 4.18Å; M106-V192 HydrophobicContact CG-CG1 3.43Å; M106-V192 VanDerWaalsContact CG-CG1 3.43Å; M106-V192 HydrophobicContact SD-CG1 3.9Å; M106-L193 CarbonylContact C-O 3.43Å; M106-L193 WeakPolarHBondContact CA-O 3.3Å; M106-F194 HydrophobicContact CB-CD1 4.4Å; M106-F194 HydrophobicContact CB-CE1 4.09Å; M106-F194 HydrophobicContact CG-CE1 4.31Å; M106-F194 HydrophobicContact CG-CZ 4.4Å; M106-F194 HydrophobicContact SD-CZ 4.39Å; M106-I309 HydrophobicContact CB-CD1 3.83Å; M106-I309 HydrophobicContact CB-CG2 4.29Å; M106-I309 HydrophobicContact SD-CG2 4.11Å; M106-F311 HydrophobicContact CE-CB 4.23Å; M106-F311 HydrophobicContact CE-CD1 4.04Å; M106-F311 HydrophobicContact CE-CD2 3.82Å; M106-F311 HydrophobicContact CE-CE1 4.35Å; M106-F311 HydrophobicContact CE-CE2 4.14Å; M106-F311 HydrophobicContact CE-CG 3.76Å; M106-F311 HydrophobicContact CE-CZ 4.39Å; M106-F311 HydrophobicContact SD-CB 4.13Å; M106-F311 HydrophobicContact SD-CD1 3.6Å; M106-F311 VanDerWaalsContact SD-CD1 3.6Å; M106-F311 HydrophobicContact SD-CD2 4.45Å; M106-F311 HydrophobicContact SD-CE1 4.08Å; M106-F311 HydrophobicContact SD-CG 3.81Å
107V96Very high89.7Confident5 Ų560.6 Ų60.63%0.0331%0.311CS..EExtended strand (participates in β ladder)trans-128.5127.4171-178.10000108.7Y105 E136 M137 Y140 L193 V195Y105-V107 HydrophobicContact CD1-CG2 3.79Å; Y105-V107 HydrophobicContact CE1-CG2 3.24Å; V107-E136 HydrophobicContact CG1-CB 4.49Å; V107-M137 HydrophobicContact CG1-CB 4.49Å; V107-M137 HydrophobicContact CG1-CG 3.91Å; V107-Y140 HydrophobicContact CG2-CD2 3.91Å; V107-Y140 HydrophobicContact CG2-CE2 4.22Å; V107-Y140 HydrophobicContact CG2-CG 4.15Å; V107-L193 HydrophobicContact CB-CB 4.06Å; V107-L193 HydrophobicContact CB-CD2 4.26Å; V107-L193 PolarHBondContact N-O 2.92Å; V107-L193 PolarHBondContact O-N 2.79Å; V107-V195 HydrophobicContact CG2-CG2 4.3Å
108P95.6Very high90Very high0 Ų056.4 Ų56.40%029%0.288CS..SBendcis-64.7152.72.130.4-38.3000113.2L110 L118 Y133 E136P108-L110 HydrophobicContact CG-CD2 4.28Å; P108-L110 PolarHBondContact O-N 2.84Å; P108-L118 HydrophobicContact CG-CD1 4.41Å; P108-Y133 HydrophobicContact CB-CD1 3.82Å; P108-Y133 HydrophobicContact CB-CG 4.4Å; P108-Y133 HydrophobicContact CG-CD1 3.7Å; P108-Y133 HydrophobicContact CG-CE1 4.41Å; P108-Y133 HydrophobicContact CG-CG 3.97Å; P108-E136 WeakPolarHBondContact CA-OE2 3.08Å; P108-E136 HydrophobicContact CB-CB 4.47Å; P108-E136 WeakPolarHBondContact CB-OE2 3.49Å
109D92.9Very high90.2Very high33 Ų3347.6 Ų47.618%0.17626%0.256CS..  trans-85.7100.9176.3-171-11.7000109.4Y105 D111 M112 H113 E136Y105-D109 HydrophobicContact CE2-CB 4.33Å; Y105-D109 WeakPolarHBondContact OH-CB 3.43Å; Y105-D109 PolarHBondContact OH-OD2 3.32Å; D109-D111 PolarHBondContact O-N 2.88Å; D109-D111 WeakPolarHBondContact OD1-CB 3.31Å; D109-D111 PolarHBondContact OD1-N 3.23Å; D109-D111 VanDerWaalsContact OD1-N 3.12Å; D109-M112 HydrophobicContact CB-CB 4.43Å; D109-M112 HydrophobicContact CB-CG 3.96Å; D109-M112 HydrophobicContact CB-SD 4.19Å; D109-M112 PolarHBondContact O-N 3.08Å; D109-M112 VanDerWaalsContact O-N 3.12Å; D109-H113 PolarHBondContact O-CE1 3.42Å; D109-H113 PolarHBondContact O-ND1 3.39Å; D109-E136 PolarHBondContact N-OE2 3.31Å
110L92.7Very high90.5Very high10 Ų1044.7 Ų44.75%0.05224%0.24CC..G310 helixtrans-65.3-26.4-175.8-58.1179.7000112.6M106 P108 M112 H113 S116 L118 Y133 F311M106-L110 HydrophobicContact CE-CD1 3.64Å; M106-L110 HydrophobicContact CE-CG 3.88Å; P108-L110 HydrophobicContact CG-CD2 4.28Å; P108-L110 PolarHBondContact O-N 2.84Å; L110-M112 PolarHBondContact O-N 3.28Å; L110-H113 PolarHBondContact O-N 3.12Å; L110-S116 WeakPolarHBondContact O-CA 3.5Å; L110-L118 HydrophobicContact CD1-CB 4.15Å; L110-L118 HydrophobicContact CD2-CB 4.33Å; L110-L118 HydrophobicContact CD2-CD1 4.46Å; L110-Y133 HydrophobicContact CD2-CE1 4.34Å; L110-F311 HydrophobicContact CD1-CB 3.73Å; L110-F311 HydrophobicContact CD1-CD2 4.31Å; L110-F311 HydrophobicContact CD1-CG 4.35Å
111D87.8Confident90.5Very high109 Ų10941.1 Ų41.158%0.58323%0.225SC*.G310 helixtrans-66.8-22.2176.8-76.9-11.5000112.1K100 D109 H113K100-D111 IonicContact NZ-OD2 2.72Å; K100-D111 PolarHBondContact NZ-OD2 3.36Å; D109-D111 PolarHBondContact O-N 2.88Å; D109-D111 WeakPolarHBondContact OD1-CB 3.31Å; D109-D111 PolarHBondContact OD1-N 3.23Å; D109-D111 VanDerWaalsContact OD1-N 3.12Å; D111-H113 VanDerWaalsContact C-N 3.34Å
112M86.3Confident90.4Very high150 Ų15042.3 Ų42.374%0.73923%0.229SC*.G310 helixtrans-85.4-8.1178.9-60.4-167.685.400113.2D109 L110D109-M112 HydrophobicContact CB-CB 4.43Å; D109-M112 HydrophobicContact CB-CG 3.96Å; D109-M112 HydrophobicContact CB-SD 4.19Å; D109-M112 PolarHBondContact O-N 3.08Å; D109-M112 VanDerWaalsContact O-N 3.12Å; L110-M112 PolarHBondContact O-N 3.28Å
113H86.8Confident90.1Very high33 Ų3345.8 Ų45.815%0.15325%0.246CC..SBendtrans-94.1157.2180-67.170.9000111.2D109 L110 D111 I115 Y133 E136D109-H113 PolarHBondContact O-CE1 3.42Å; D109-H113 PolarHBondContact O-ND1 3.39Å; L110-H113 PolarHBondContact O-N 3.12Å; D111-H113 VanDerWaalsContact C-N 3.34Å; H113-I115 WeakPolarHBondContact CB-O 3.43Å; H113-I115 PolarHBondContact O-N 2.81Å; H113-Y133 AromaticContact CD2-CE1 3.6Å; H113-Y133 AromaticContact NE2-CD1 3.43Å; H113-Y133 WeakPolarHBondContact NE2-CD1 3.37Å; H113-Y133 AromaticContact NE2-CE1 3.36Å; H113-Y133 WeakPolarHBondContact NE2-CE1 3.5Å; H113-E136 VanDerWaalsContact CE1-CD 3.46Å; H113-E136 IonicContact CE1-OE1 2.78Å; H113-E136 PolarHBondContact CE1-OE1 3.47Å; H113-E136 IonicContact CE1-OE2 3.18Å; H113-E136 PolarHBondContact CE1-OE2 3.29Å; H113-E136 IonicContact NE2-OE1 2.96Å; H113-E136 PolarHBondContact NE2-OE1 2.84Å
114D83.1Confident89.8Confident179 Ų17952.1 Ų52.196%0.95728%0.276SS*.SBendtrans-60.9-25.6172.9-67.4-32.6000112.6
115I81.5Confident89.5Confident92 Ų9259.7 Ų59.747%0.47231%0.309SS..SBendtrans-121.1115.8176.4-53.5172.9000107.4H113 V117H113-I115 WeakPolarHBondContact CB-O 3.43Å; H113-I115 PolarHBondContact O-N 2.81Å; I115-V117 HydrophobicContact CG2-CB 3.89Å; I115-V117 HydrophobicContact CG2-CG2 4.06Å; I115-V117 PolarHBondContact O-N 3.34Å
116S88.9Confident89.2Confident75 Ų7560.2 Ų60.252%0.52431%0.31SS..  trans-78.438.3-179.6620000113.5L110L110-S116 WeakPolarHBondContact O-CA 3.5Å
117V91.2Very high88.9Confident16 Ų1664.2 Ų64.210%0.09733%0.327CS..EExtended strand (participates in β ladder)trans-137.4139.4-173.8-177.40000108.7I115 V119 Y133 E312 N314I115-V117 HydrophobicContact CG2-CB 3.89Å; I115-V117 HydrophobicContact CG2-CG2 4.06Å; I115-V117 PolarHBondContact O-N 3.34Å; V117-V119 PolarHBondContact O-N 2.89Å; V117-Y133 PolarHBondContact O-OH 3.44Å; V117-E312 HydrophobicContact CB-CB 4.5Å; V117-E312 HydrophobicContact CG1-CB 3.92Å; V117-E312 VanDerWaalsContact CG1-O 3.29Å; V117-E312 WeakPolarHBondContact CG1-O 2.98Å; V117-E312 HydrophobicContact CG2-CB 4.14Å; V117-N314 HydrophobicContact CG1-CB 3.53Å
118L93.3Very high88.7Confident0 Ų067.9 Ų67.90%035%0.351CS..EExtended strand (participates in β ladder)trans-76.5107.8172.6-177.567.7000109.5P108 L110 Y133 F185 V192 I280 F311 E312 Y313 N314P108-L118 HydrophobicContact CG-CD1 4.41Å; L110-L118 HydrophobicContact CD1-CB 4.15Å; L110-L118 HydrophobicContact CD2-CB 4.33Å; L110-L118 HydrophobicContact CD2-CD1 4.46Å; L118-Y133 HydrophobicContact CD1-CD2 4.17Å; L118-Y133 HydrophobicContact CD1-CE2 4.06Å; L118-F185 HydrophobicContact CD1-CZ 4.21Å; L118-V192 HydrophobicContact CD2-CG2 3.75Å; L118-I280 HydrophobicContact CD2-CD1 3.99Å; L118-F311 HydrophobicContact CB-CD2 4.26Å; L118-F311 HydrophobicContact CD2-CD2 4.48Å; L118-F311 HydrophobicContact CD2-CE2 3.93Å; L118-E312 PolarHBondContact N-O 2.78Å; L118-Y313 HydrophobicContact CD2-CD2 4.22Å; L118-Y313 HydrophobicContact CG-CD2 4.37Å; L118-Y313 CarbonylContact O-C 3.6Å; L118-Y313 VanDerWaalsContact O-CA 3.29Å; L118-Y313 WeakPolarHBondContact O-CA 3.28Å; L118-N314 PolarHBondContact O-N 2.82Å
119V91.5Very high88.5Confident12 Ų1270 Ų707%0.07336%0.363CS..EExtended strand (participates in β ladder)trans-97125.2-179.4-179.20000111.1V117 Y126 L129 Y133 N314 P316V117-V119 PolarHBondContact O-N 2.89Å; V119-Y126 HydrophobicContact CG1-CD1 4.12Å; V119-L129 HydrophobicContact CB-CD2 3.6Å; V119-L129 HydrophobicContact CG1-CD2 4.02Å; V119-L129 HydrophobicContact CG2-CD2 3.9Å; V119-Y133 PolarHBondContact N-OH 3.14Å; V119-N314 WeakPolarHBondContact CA-O 3.39Å; V119-P316 HydrophobicContact CG1-CG 3.95Å
120Y89.5Confident88.4Confident14 Ų1470.2 Ų70.26%0.05536%0.361CS..  trans-127123.7169.1179.7-104.2000110.9F185 G188 P190 H284 Y313 N314 N315Y120-F185 AromaticContact CD2-CD1 3.84Å; Y120-F185 HydrophobicContact CD2-CD1 3.84Å; Y120-F185 HydrophobicContact CD2-CE1 4.48Å; Y120-F185 HydrophobicContact CE2-CD1 4.37Å; Y120-F185 VanDerWaalsContact CE2-O 3.3Å; Y120-F185 WeakPolarHBondContact CE2-O 3.39Å; Y120-F185 PolarHBondContact OH-O 2.86Å; Y120-G188 VanDerWaalsContact CZ-CA 3.48Å; Y120-G188 WeakPolarHBondContact OH-CA 3.43Å; Y120-P190 HydrophobicContact CG-CG 4.41Å; Y120-H284 HydrophobicContact CD1-CB 4.23Å; Y120-H284 HydrophobicContact CE1-CB 4.03Å; Y120-Y313 VanDerWaalsContact CB-CE2 3.43Å; Y120-Y313 HydrophobicContact CG-CE2 4.41Å; Y120-N314 PolarHBondContact N-O 3.4Å; Y120-N314 VanDerWaalsContact N-O 3.11Å; Y120-N315 WeakPolarHBondContact O-CA 3.31Å; Y120-N315 PolarHBondContact O-OD1 2.69Å
121H86.5Confident88.5Confident17 Ų1772 Ų728%0.07937%0.374CS..  trans-146.1138.5167.6-164.2-83.3000108.6D123 Y126 R130 N315 P316H121-D123 VanDerWaalsContact C-N 3.29Å; H121-D123 IonicContact CE1-OD1 3.31Å; H121-D123 PolarHBondContact CE1-OD1 2.85Å; H121-D123 VanDerWaalsContact CE1-OD1 3.23Å; H121-D123 IonicContact CE1-OD2 3.18Å; H121-D123 PolarHBondContact CE1-OD2 2.83Å; H121-D123 VanDerWaalsContact ND1-CB 3.26Å; H121-D123 WeakPolarHBondContact ND1-CB 3.2Å; H121-D123 PolarHBondContact ND1-N 3.35Å; H121-D123 VanDerWaalsContact ND1-N 3.18Å; H121-D123 IonicContact ND1-OD1 2.76Å; H121-D123 PolarHBondContact ND1-OD1 2.86Å; H121-D123 IonicContact ND1-OD2 3.27Å; H121-D123 PolarHBondContact ND1-OD2 2.91Å; H121-D123 PolarHBondContact O-N 2.79Å; H121-Y126 HydrophobicContact CB-CD2 3.37Å; H121-Y126 HydrophobicContact CB-CE2 3.83Å; H121-Y126 HydrophobicContact CB-CG 3.82Å; H121-Y126 AromaticContact CG-CD2 3.66Å; H121-Y126 AromaticContact CG-CE2 3.75Å; H121-Y126 AromaticContact ND1-CD2 3.77Å; H121-Y126 AromaticContact ND1-CE2 3.91Å; H121-R130 PolarHBondContact O-NH2 3.4Å; H121-N315 PolarHBondContact CD2-OD1 2.03Å; H121-P316 PolarHBondContact CD2-O 3.04Å; H121-P316 PolarHBondContact NE2-O 2.97Å
122P83.3Confident88.8Confident73 Ų7369.6 Ų69.647%0.47436%0.363SS..SBendtrans-65.6-30.8-178.224.2-33.6000113R130P122-R130 PolarHBondContact O-NH2 3.35Å
123D86.2Confident89.2Confident87 Ų8762.4 Ų62.447%0.46533%0.328SS..SBendtrans-51.8143.5-178.3-68.50.3000114.2H121 K125 Y126 R130H121-D123 VanDerWaalsContact C-N 3.29Å; H121-D123 IonicContact CE1-OD1 3.31Å; H121-D123 PolarHBondContact CE1-OD1 2.85Å; H121-D123 VanDerWaalsContact CE1-OD1 3.23Å; H121-D123 IonicContact CE1-OD2 3.18Å; H121-D123 PolarHBondContact CE1-OD2 2.83Å; H121-D123 VanDerWaalsContact ND1-CB 3.26Å; H121-D123 WeakPolarHBondContact ND1-CB 3.2Å; H121-D123 PolarHBondContact ND1-N 3.35Å; H121-D123 VanDerWaalsContact ND1-N 3.18Å; H121-D123 IonicContact ND1-OD1 2.76Å; H121-D123 PolarHBondContact ND1-OD1 2.86Å; H121-D123 IonicContact ND1-OD2 3.27Å; H121-D123 PolarHBondContact ND1-OD2 2.91Å; H121-D123 PolarHBondContact O-N 2.79Å; D123-K125 HydrophobicContact CB-CB 4.5Å; D123-K125 PolarHBondContact O-N 3.27Å; D123-K125 VanDerWaalsContact O-N 3.12Å; D123-Y126 HydrophobicContact CB-CD2 4.26Å; D123-Y126 PolarHBondContact O-N 2.85Å; D123-Y126 VanDerWaalsContact O-N 3.1Å; D123-R130 PolarHBondContact O-NH2 2.04Å
124E86.9Confident89.6Confident133 Ų13362.3 Ų62.362%0.62133%0.328SS*.G310 helixtrans-58-25.4176.2-72.5-72.9149.700112.8Y126 K127E124-Y126 PolarHBondContact O-N 2.66Å; E124-K127 WeakPolarHBondContact O-CB 3.28Å; E124-K127 PolarHBondContact O-N 3.2Å; E124-K127 VanDerWaalsContact O-N 3.15Å; E124-K127 IonicContact OE1-NZ 3.39Å; E124-K127 PolarHBondContact OE1-NZ 3.05Å; E124-K127 WeakPolarHBondContact OE2-CD 3.07Å; E124-K127 IonicContact OE2-NZ 3.03Å; E124-K127 PolarHBondContact OE2-NZ 3.4Å
125K88.3Confident90.2Very high161 Ų16157.9 Ų57.970%0.731%0.305SS*.G310 helixtrans-55.5-37.6175.1-177.5-175.8175.5-170.20112.6D123 P128D123-K125 HydrophobicContact CB-CB 4.5Å; D123-K125 PolarHBondContact O-N 3.27Å; D123-K125 VanDerWaalsContact O-N 3.12Å; K125-P128 WeakPolarHBondContact O-CD 3.25Å
126Y88.2Confident90.9Very high52 Ų5255.5 Ų55.520%0.20429%0.292CS..G310 helixtrans-95.43-176.6-61.7-82.3000113.2V119 H121 D123 E124 P128 L129 R130 P316V119-Y126 HydrophobicContact CG1-CD1 4.12Å; H121-Y126 HydrophobicContact CB-CD2 3.37Å; H121-Y126 HydrophobicContact CB-CE2 3.83Å; H121-Y126 HydrophobicContact CB-CG 3.82Å; H121-Y126 AromaticContact CG-CD2 3.66Å; H121-Y126 AromaticContact CG-CE2 3.75Å; H121-Y126 AromaticContact ND1-CD2 3.77Å; H121-Y126 AromaticContact ND1-CE2 3.91Å; D123-Y126 HydrophobicContact CB-CD2 4.26Å; D123-Y126 PolarHBondContact O-N 2.85Å; D123-Y126 VanDerWaalsContact O-N 3.1Å; E124-Y126 PolarHBondContact O-N 2.66Å; Y126-P128 VanDerWaalsContact C-CD 3.5Å; Y126-L129 PolarHBondContact O-N 2.76Å; Y126-R130 PolarHBondContact O-N 2.84Å; Y126-P316 HydrophobicContact CE1-CB 4.26Å; Y126-P316 HydrophobicContact CE1-CG 3.89Å; Y126-P316 HydrophobicContact CE2-CB 4.48Å; Y126-P316 VanDerWaalsContact OH-CB 3.25Å; Y126-P316 WeakPolarHBondContact OH-CB 3.25Å
127K91Very high91.2Very high97 Ų9752 Ų5242%0.42227%0.267SS..Hα-helixtrans-58.9-39.8178.3-174.6173.8-178.9173.90114E124 L129 R130 S131E124-K127 WeakPolarHBondContact O-CB 3.28Å; E124-K127 PolarHBondContact O-N 3.2Å; E124-K127 VanDerWaalsContact O-N 3.15Å; E124-K127 IonicContact OE1-NZ 3.39Å; E124-K127 PolarHBondContact OE1-NZ 3.05Å; E124-K127 WeakPolarHBondContact OE2-CD 3.07Å; E124-K127 IonicContact OE2-NZ 3.03Å; E124-K127 PolarHBondContact OE2-NZ 3.4Å; K127-L129 VanDerWaalsContact C-N 3.33Å; K127-L129 PolarHBondContact O-N 3.49Å; K127-R130 PolarHBondContact O-N 3.37Å; K127-S131 PolarHBondContact O-N 3.04Å; K127-S131 PolarHBondContact O-OG 2.89Å; K127-S131 VanDerWaalsContact O-OG 3.13Å
128P91.9Very high91.4Very high82 Ų8252.3 Ų52.353%0.53227%0.27SS..Hα-helixtrans-62.3-38.2177.5-24.135.5000113.5K125 Y126 S131 T132K125-P128 WeakPolarHBondContact O-CD 3.25Å; Y126-P128 VanDerWaalsContact C-CD 3.5Å; P128-S131 WeakPolarHBondContact CA-OG 3.02Å; P128-S131 PolarHBondContact O-OG 3.28Å; P128-T132 PolarHBondContact O-N 2.69Å; P128-T132 VanDerWaalsContact O-N 3.16Å; P128-T132 PolarHBondContact O-OG1 3.5Å
129L90.7Very high91.5Very high46 Ų4660 Ų6024%0.24130%0.299CS..Hα-helixtrans-68.7-46.6177.1-177.156.6000110.4V119 Y126 K127 S131 T132 Y133V119-L129 HydrophobicContact CB-CD2 3.6Å; V119-L129 HydrophobicContact CG1-CD2 4.02Å; V119-L129 HydrophobicContact CG2-CD2 3.9Å; Y126-L129 PolarHBondContact O-N 2.76Å; K127-L129 VanDerWaalsContact C-N 3.33Å; K127-L129 PolarHBondContact O-N 3.49Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 3.39Å; L129-T132 VanDerWaalsContact O-CB 3.31Å; L129-T132 WeakPolarHBondContact O-CB 3.48Å; L129-T132 PolarHBondContact O-N 2.84Å; L129-T132 VanDerWaalsContact O-N 3.09Å; L129-Y133 HydrophobicContact CD1-CE1 3.99Å; L129-Y133 HydrophobicContact CD1-CE2 4.31Å; L129-Y133 HydrophobicContact CG-CE1 4.46Å; L129-Y133 HydrophobicContact CG-CE2 3.87Å; L129-Y133 PolarHBondContact O-N 3.15Å
130R91.2Very high91.7Very high37 Ų3762.4 Ų62.414%0.1431%0.307CS..Hα-helixtrans-57.1-43.2174.2-170.7-162.3-52.9151.96.9112.8H121 P122 D123 Y126 K127 T132 Y133 I134 F185H121-R130 PolarHBondContact O-NH2 3.4Å; P122-R130 PolarHBondContact O-NH2 3.35Å; D123-R130 PolarHBondContact O-NH2 2.04Å; Y126-R130 PolarHBondContact O-N 2.84Å; K127-R130 PolarHBondContact O-N 3.37Å; R130-T132 VanDerWaalsContact C-N 3.27Å; R130-T132 PolarHBondContact O-N 3.48Å; R130-Y133 PolarHBondContact O-N 3.35Å; R130-I134 HydrophobicContact CG-CD1 4.07Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.03Å; R130-I134 VanDerWaalsContact O-N 3.08Å; R130-F185 HydrophobicContact CG-CB 3.78Å; R130-F185 HydrophobicContact CG-CD1 3.6Å; R130-F185 HydrophobicContact CG-CE1 4.38Å; R130-F185 HydrophobicContact CG-CG 3.88Å
131S93.3Very high91.9Very high47 Ų4761.8 Ų61.833%0.32931%0.305SS..Hα-helixtrans-64.5-34.5177.553.20000111.7K127 P128 L129 I134 D135K127-S131 PolarHBondContact O-N 3.04Å; K127-S131 PolarHBondContact O-OG 2.89Å; K127-S131 VanDerWaalsContact O-OG 3.13Å; P128-S131 WeakPolarHBondContact CA-OG 3.02Å; P128-S131 PolarHBondContact O-OG 3.28Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 3.39Å; S131-I134 PolarHBondContact O-N 3.2Å; S131-D135 VanDerWaalsContact O-CB 3.3Å; S131-D135 WeakPolarHBondContact O-CB 3.44Å; S131-D135 PolarHBondContact O-N 2.98Å
132T94.2Very high92.3Very high58 Ų5866 Ų6636%0.35632%0.324SS..Hα-helixtrans-60.7-47.7175.6-54.60000110.9P128 L129 R130 I134 D135 E136P128-T132 PolarHBondContact O-N 2.69Å; P128-T132 VanDerWaalsContact O-N 3.16Å; P128-T132 PolarHBondContact O-OG1 3.5Å; L129-T132 VanDerWaalsContact O-CB 3.31Å; L129-T132 WeakPolarHBondContact O-CB 3.48Å; L129-T132 PolarHBondContact O-N 2.84Å; L129-T132 VanDerWaalsContact O-N 3.09Å; R130-T132 VanDerWaalsContact C-N 3.27Å; R130-T132 PolarHBondContact O-N 3.48Å; T132-I134 PolarHBondContact O-N 3.29Å; T132-D135 PolarHBondContact O-N 3.37Å; T132-E136 WeakPolarHBondContact O-CG 3.18Å; T132-E136 PolarHBondContact O-N 3.35Å
133Y95Very high92.6Very high0 Ų066.6 Ų66.60%033%0.327CS..Hα-helixtrans-59.7-46175.4-55.7-34000112.5P108 L110 H113 V117 L118 V119 L129 R130 D135 E136 M137 F185P108-Y133 HydrophobicContact CB-CD1 3.82Å; P108-Y133 HydrophobicContact CB-CG 4.4Å; P108-Y133 HydrophobicContact CG-CD1 3.7Å; P108-Y133 HydrophobicContact CG-CE1 4.41Å; P108-Y133 HydrophobicContact CG-CG 3.97Å; L110-Y133 HydrophobicContact CD2-CE1 4.34Å; H113-Y133 AromaticContact CD2-CE1 3.6Å; H113-Y133 AromaticContact NE2-CD1 3.43Å; H113-Y133 WeakPolarHBondContact NE2-CD1 3.37Å; H113-Y133 AromaticContact NE2-CE1 3.36Å; H113-Y133 WeakPolarHBondContact NE2-CE1 3.5Å; V117-Y133 PolarHBondContact O-OH 3.44Å; L118-Y133 HydrophobicContact CD1-CD2 4.17Å; L118-Y133 HydrophobicContact CD1-CE2 4.06Å; V119-Y133 PolarHBondContact N-OH 3.14Å; L129-Y133 HydrophobicContact CD1-CE1 3.99Å; L129-Y133 HydrophobicContact CD1-CE2 4.31Å; L129-Y133 HydrophobicContact CG-CE1 4.46Å; L129-Y133 HydrophobicContact CG-CE2 3.87Å; L129-Y133 PolarHBondContact O-N 3.15Å; R130-Y133 PolarHBondContact O-N 3.35Å; Y133-D135 VanDerWaalsContact C-N 3.32Å; Y133-D135 PolarHBondContact O-N 2.91Å; Y133-E136 PolarHBondContact O-N 2.9Å; Y133-M137 VanDerWaalsContact O-CG 3.27Å; Y133-M137 WeakPolarHBondContact O-CG 3.43Å; Y133-M137 PolarHBondContact O-N 3.28Å; Y133-M137 VanDerWaalsContact O-N 3.07Å; Y133-F185 AromaticContact CD2-CE1 3.92Å; Y133-F185 HydrophobicContact CD2-CE1 3.92Å; Y133-F185 AromaticContact CD2-CZ 3.97Å; Y133-F185 HydrophobicContact CD2-CZ 3.97Å; Y133-F185 HydrophobicContact CG-CZ 4.45Å
134I95.3Very high92.8Very high30 Ų3062.8 Ų62.815%0.15431%0.306CS..Hα-helixtrans-61.9-40.9178.5-69.1167000111.1R130 S131 T132 S138 Y183 F185R130-I134 HydrophobicContact CG-CD1 4.07Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.03Å; R130-I134 VanDerWaalsContact O-N 3.08Å; S131-I134 PolarHBondContact O-N 3.2Å; T132-I134 PolarHBondContact O-N 3.29Å; I134-S138 VanDerWaalsContact O-CB 3.28Å; I134-S138 WeakPolarHBondContact O-CB 3.38Å; I134-S138 PolarHBondContact O-N 3.22Å; I134-S138 PolarHBondContact O-OG 3.41Å; I134-Y183 HydrophobicContact CB-CD2 4.4Å; I134-Y183 HydrophobicContact CG1-CD2 4.41Å; I134-Y183 HydrophobicContact CG2-CD2 4.03Å; I134-Y183 HydrophobicContact CG2-CE2 4.13Å; I134-Y183 WeakPolarHBondContact O-CE2 3.46Å; I134-F185 HydrophobicContact CD1-CB 4.25Å; I134-F185 HydrophobicContact CG1-CD2 4.1Å
135D95.9Very high92.9Very high87 Ų8761.7 Ų61.747%0.46530%0.296SS..Hα-helixtrans-68.5-38.9-179.8-73.5-15.1000111.3S131 T132 Y133 S138 R139S131-D135 VanDerWaalsContact O-CB 3.3Å; S131-D135 WeakPolarHBondContact O-CB 3.44Å; S131-D135 PolarHBondContact O-N 2.98Å; T132-D135 PolarHBondContact O-N 3.37Å; Y133-D135 VanDerWaalsContact C-N 3.32Å; Y133-D135 PolarHBondContact O-N 2.91Å; D135-S138 PolarHBondContact O-N 3.45Å; D135-R139 VanDerWaalsContact O-CB 3.23Å; D135-R139 WeakPolarHBondContact O-CB 3.25Å; D135-R139 PolarHBondContact O-N 2.88Å
136E95.9Very high92.8Very high42 Ų4259.6 Ų59.620%0.19629%0.293CS..Hα-helixtrans-62.5-47.9174.1-75.6-175.4-16700112.3V107 P108 D109 H113 T132 Y133 S138 R139 Y140V107-E136 HydrophobicContact CG1-CB 4.49Å; P108-E136 WeakPolarHBondContact CA-OE2 3.08Å; P108-E136 HydrophobicContact CB-CB 4.47Å; P108-E136 WeakPolarHBondContact CB-OE2 3.49Å; D109-E136 PolarHBondContact N-OE2 3.31Å; H113-E136 VanDerWaalsContact CE1-CD 3.46Å; H113-E136 IonicContact CE1-OE1 2.78Å; H113-E136 PolarHBondContact CE1-OE1 3.47Å; H113-E136 IonicContact CE1-OE2 3.18Å; H113-E136 PolarHBondContact CE1-OE2 3.29Å; H113-E136 IonicContact NE2-OE1 2.96Å; H113-E136 PolarHBondContact NE2-OE1 2.84Å; T132-E136 WeakPolarHBondContact O-CG 3.18Å; T132-E136 PolarHBondContact O-N 3.35Å; Y133-E136 PolarHBondContact O-N 2.9Å; E136-S138 VanDerWaalsContact C-N 3.3Å; E136-S138 PolarHBondContact O-N 3.25Å; E136-R139 PolarHBondContact O-N 3.3Å; E136-Y140 WeakPolarHBondContact O-CB 3.45Å; E136-Y140 PolarHBondContact O-N 3.36Å
137M96.2Very high92.4Very high0 Ų058.8 Ų58.80%029%0.291CS..Hα-helixtrans-63.2-39.2176.6-64.1165.278.400111.3V107 Y133 Y140 L141 Y183 F185 C191 L193 F277V107-M137 HydrophobicContact CG1-CB 4.49Å; V107-M137 HydrophobicContact CG1-CG 3.91Å; Y133-M137 VanDerWaalsContact O-CG 3.27Å; Y133-M137 WeakPolarHBondContact O-CG 3.43Å; Y133-M137 PolarHBondContact O-N 3.28Å; Y133-M137 VanDerWaalsContact O-N 3.07Å; M137-Y140 PolarHBondContact O-N 3.49Å; M137-L141 WeakPolarHBondContact O-CB 3.3Å; M137-L141 WeakPolarHBondContact O-CG 3.35Å; M137-L141 PolarHBondContact O-N 3.36Å; M137-Y183 HydrophobicContact CB-CD2 3.9Å; M137-Y183 HydrophobicContact CB-CE1 4.49Å; M137-Y183 HydrophobicContact CB-CE2 3.73Å; M137-Y183 HydrophobicContact CB-CG 4.37Å; M137-Y183 HydrophobicContact CE-CD1 3.89Å; M137-Y183 HydrophobicContact CE-CD2 4.14Å; M137-Y183 HydrophobicContact CE-CG 3.58Å; M137-Y183 HydrophobicContact SD-CD2 4.08Å; M137-Y183 HydrophobicContact SD-CG 4.09Å; M137-F185 HydrophobicContact SD-CE2 4.18Å; M137-C191 WeakPolarHBondContact CE-O 3.04Å; M137-L193 HydrophobicContact CE-CB 4.43Å; M137-F277 HydrophobicContact CE-CD1 4.12Å; M137-F277 HydrophobicContact CE-CE1 3.31Å; M137-F277 HydrophobicContact CE-CZ 4.11Å
138S95.7Very high91.5Very high23 Ų2357.1 Ų57.116%0.16129%0.291CS..Hα-helixtrans-63.7-46.1175.9-64.60000112.1I134 D135 E136 L141 E142 Y183I134-S138 VanDerWaalsContact O-CB 3.28Å; I134-S138 WeakPolarHBondContact O-CB 3.38Å; I134-S138 PolarHBondContact O-N 3.22Å; I134-S138 PolarHBondContact O-OG 3.41Å; D135-S138 PolarHBondContact O-N 3.45Å; E136-S138 VanDerWaalsContact C-N 3.3Å; E136-S138 PolarHBondContact O-N 3.25Å; S138-L141 PolarHBondContact O-N 3.33Å; S138-E142 PolarHBondContact O-N 2.93Å; S138-Y183 VanDerWaalsContact CA-OH 3.31Å; S138-Y183 WeakPolarHBondContact CA-OH 3.46Å; S138-Y183 WeakPolarHBondContact OG-CE2 3.46Å; S138-Y183 PolarHBondContact OG-OH 3.49Å
139R95.8Very high90.3Very high163 Ų16358.8 Ų58.862%0.61530%0.304SS*.Hα-helixtrans-63.7-41.5178.1-174.3-178.9-62.9132.24.8111.2D135 E136 E142D135-R139 VanDerWaalsContact O-CB 3.23Å; D135-R139 WeakPolarHBondContact O-CB 3.25Å; D135-R139 PolarHBondContact O-N 2.88Å; E136-R139 PolarHBondContact O-N 3.3Å; R139-E142 WeakPolarHBondContact O-CB 3.41Å; R139-E142 PolarHBondContact O-N 2.99Å
140Y94.5Very high89Confident62 Ų6264.5 Ų64.524%0.24333%0.33CS..Hα-helixtrans-63.1-44.1176.8-163.7-84.1000111.7Y105 V107 E136 M137 E142 Y144 L193 V195 L275Y105-Y140 HydrophobicContact CE1-CE2 4.41Å; V107-Y140 HydrophobicContact CG2-CD2 3.91Å; V107-Y140 HydrophobicContact CG2-CE2 4.22Å; V107-Y140 HydrophobicContact CG2-CG 4.15Å; E136-Y140 WeakPolarHBondContact O-CB 3.45Å; E136-Y140 PolarHBondContact O-N 3.36Å; M137-Y140 PolarHBondContact O-N 3.49Å; Y140-E142 VanDerWaalsContact C-N 3.28Å; Y140-E142 PolarHBondContact O-N 3.26Å; Y140-Y144 HydrophobicContact CD1-CE2 4.14Å; Y140-Y144 AromaticContact CE1-CE2 3.76Å; Y140-Y144 HydrophobicContact CE1-CE2 3.76Å; Y140-L193 HydrophobicContact CD1-CD2 3.75Å; Y140-L193 HydrophobicContact CE1-CD2 4.36Å; Y140-L193 HydrophobicContact CG-CD2 4.4Å; Y140-V195 HydrophobicContact CD1-CG2 4.49Å; Y140-V195 HydrophobicContact CE1-CG1 4.41Å; Y140-V195 HydrophobicContact CE1-CG2 3.69Å; Y140-V195 VanDerWaalsContact OH-CG1 3.29Å; Y140-V195 WeakPolarHBondContact OH-CG1 3.47Å; Y140-L275 HydrophobicContact CE1-CD2 4.05Å
141L94.7Very high87.8Confident1 Ų163.9 Ų63.91%0.00533%0.329CS..Hα-helixtrans-75.8-11.5-179.9-73.5170.4000114.2M137 S138 V143 Y144 R145 L173 Y183 L193 L275 F277M137-L141 WeakPolarHBondContact O-CB 3.3Å; M137-L141 WeakPolarHBondContact O-CG 3.35Å; M137-L141 PolarHBondContact O-N 3.36Å; S138-L141 PolarHBondContact O-N 3.33Å; L141-V143 VanDerWaalsContact C-N 3.28Å; L141-V143 PolarHBondContact O-N 2.84Å; L141-Y144 HydrophobicContact CD2-CD2 4.38Å; L141-Y144 WeakPolarHBondContact O-CB 3.23Å; L141-Y144 PolarHBondContact O-N 3.39Å; L141-Y144 VanDerWaalsContact O-N 3.1Å; L141-R145 WeakPolarHBondContact O-CG 3.5Å; L141-R145 PolarHBondContact O-N 2.97Å; L141-L173 HydrophobicContact CD2-CD1 3.9Å; L141-Y183 HydrophobicContact CD1-CE1 3.58Å; L141-Y183 WeakPolarHBondContact CD1-OH 3.16Å; L141-L193 HydrophobicContact CD2-CD2 4.35Å; L141-L193 HydrophobicContact CG-CD2 4.28Å; L141-L275 HydrophobicContact CD2-CD1 3.51Å; L141-F277 HydrophobicContact CD1-CE2 4.36Å; L141-F277 HydrophobicContact CD1-CZ 3.85Å
142E93.3Very high86.5Confident104 Ų10469.8 Ų69.849%0.48635%0.345SS..Hα-helixtrans-58.6-41.4178.4-173.1177-178.700111.8S138 R139 Y140 Y144 R145 N146S138-E142 PolarHBondContact O-N 2.93Å; R139-E142 WeakPolarHBondContact O-CB 3.41Å; R139-E142 PolarHBondContact O-N 2.99Å; Y140-E142 VanDerWaalsContact C-N 3.28Å; Y140-E142 PolarHBondContact O-N 3.26Å; E142-Y144 PolarHBondContact O-N 3.37Å; E142-R145 PolarHBondContact O-N 3.39Å; E142-R145 VanDerWaalsContact O-N 3.13Å; E142-N146 WeakPolarHBondContact O-CB 3.27Å; E142-N146 PolarHBondContact O-N 2.85Å
143V90.8Very high85.1Confident87 Ų8771.2 Ų71.253%0.52735%0.35SS..Hα-helixtrans-61.8-35.2177.6-1760000111.4L141 L272L141-V143 VanDerWaalsContact C-N 3.28Å; L141-V143 PolarHBondContact O-N 2.84Å; V143-L272 HydrophobicContact CG1-CD1 4.27Å; V143-L272 HydrophobicContact CG1-CD2 3.72Å
144Y90.4Very high83.5Confident7 Ų772.7 Ų72.73%0.02736%0.36CS..Hα-helixtrans-74-33.5177.4-67.6-100.7000111.9Y140 L141 E142 Q147 F168 L272 P273 L275Y140-Y144 HydrophobicContact CD1-CE2 4.14Å; Y140-Y144 AromaticContact CE1-CE2 3.76Å; Y140-Y144 HydrophobicContact CE1-CE2 3.76Å; L141-Y144 HydrophobicContact CD2-CD2 4.38Å; L141-Y144 WeakPolarHBondContact O-CB 3.23Å; L141-Y144 PolarHBondContact O-N 3.39Å; L141-Y144 VanDerWaalsContact O-N 3.1Å; E142-Y144 PolarHBondContact O-N 3.37Å; Y144-Q147 WeakPolarHBondContact O-CG 3.35Å; Y144-Q147 PolarHBondContact O-NE2 3.48Å; Y144-F168 HydrophobicContact CD1-CB 3.92Å; Y144-F168 AromaticContact CD1-CD1 3.68Å; Y144-F168 HydrophobicContact CD1-CD1 3.68Å; Y144-F168 HydrophobicContact CD1-CE1 4.49Å; Y144-F168 AromaticContact CD1-CG 3.91Å; Y144-F168 HydrophobicContact CD1-CG 3.91Å; Y144-F168 HydrophobicContact CE1-CB 4.23Å; Y144-F168 HydrophobicContact CE1-CD1 4.16Å; Y144-F168 HydrophobicContact CE1-CG 4.09Å; Y144-L272 HydrophobicContact CD1-CB 4.32Å; Y144-L272 HydrophobicContact CD1-CD1 3.84Å; Y144-L272 HydrophobicContact CD2-CD1 4.48Å; Y144-L272 HydrophobicContact CE1-CB 3.68Å; Y144-L272 HydrophobicContact CE1-CD1 4.02Å; Y144-L272 HydrophobicContact CE1-CG 4.42Å; Y144-L272 HydrophobicContact CG-CD1 4.09Å; Y144-P273 WeakPolarHBondContact CE1-O 3.4Å; Y144-P273 VanDerWaalsContact OH-CD 3.27Å; Y144-P273 WeakPolarHBondContact OH-CD 3.31Å; Y144-P273 VanDerWaalsContact OH-CG 3.31Å; Y144-P273 WeakPolarHBondContact OH-CG 3.41Å; Y144-P273 PolarHBondContact OH-O 3.24Å; Y144-L275 HydrophobicContact CD1-CD1 3.76Å; Y144-L275 HydrophobicContact CD1-CG 4.49Å; Y144-L275 HydrophobicContact CD2-CD1 4.06Å; Y144-L275 HydrophobicContact CE1-CD1 3.49Å; Y144-L275 VanDerWaalsContact CE1-CD1 3.49Å; Y144-L275 HydrophobicContact CE1-CD2 4.4Å; Y144-L275 HydrophobicContact CE1-CG 3.78Å; Y144-L275 HydrophobicContact CE2-CD1 3.84Å; Y144-L275 HydrophobicContact CE2-CD2 4.4Å; Y144-L275 HydrophobicContact CE2-CG 4.45Å; Y144-L275 HydrophobicContact CG-CD1 4.03Å; Y144-L275 WeakPolarHBondContact OH-CD2 3.46Å
145R88.7Confident81.7Confident110 Ų11076.5 Ų76.542%0.41538%0.381SS..Hα-helixtrans-75.5-34.3177.1-66.4175-170.6140.41.9112.5L141 E142 Q147 V170 Y183L141-R145 WeakPolarHBondContact O-CG 3.5Å; L141-R145 PolarHBondContact O-N 2.97Å; E142-R145 PolarHBondContact O-N 3.39Å; E142-R145 VanDerWaalsContact O-N 3.13Å; R145-Q147 VanDerWaalsContact C-N 3.26Å; R145-Q147 PolarHBondContact O-N 2.81Å; R145-V170 HydrophobicContact CG-CG2 4.24Å; R145-Y183 PolarHBondContact NH2-OH 2.77Å
146N86.3Confident79.6Confident117 Ų11777.2 Ų77.263%0.62638%0.384SS*.THydrogen-bonded Turntrans-89.218.7-179-68.1-18.1000113.4E142E142-N146 WeakPolarHBondContact O-CB 3.27Å; E142-N146 PolarHBondContact O-N 2.85Å
147Q80.7Confident77.4Confident35 Ų3580.1 Ų80.116%0.16441%0.409CS..  trans-58.7136.1173.3-83.5-18098.300110.9Y144 R145 L151 R167 F168 L272Y144-Q147 WeakPolarHBondContact O-CG 3.35Å; Y144-Q147 PolarHBondContact O-NE2 3.48Å; R145-Q147 VanDerWaalsContact C-N 3.26Å; R145-Q147 PolarHBondContact O-N 2.81Å; Q147-L151 HydrophobicContact CB-CD1 3.69Å; Q147-L151 HydrophobicContact CG-CD1 3.87Å; Q147-R167 HydrophobicContact CB-CG 4.45Å; Q147-F168 PolarHBondContact NE2-O 2.78Å; Q147-F168 VanDerWaalsContact OE1-N 3.09Å; Q147-L272 HydrophobicContact CG-CD1 3.74Å
148S72.1Confident75Confident61 Ų6184.5 Ų84.543%0.42744%0.436SS..  trans-57.9139.1176.6175.20000111.3E150 L151S148-E150 PolarHBondContact O-N 2.92Å; S148-E150 PolarHBondContact OG-N 3.21Å; S148-L151 WeakPolarHBondContact O-CB 3.31Å; S148-L151 PolarHBondContact O-N 2.95Å
149S66.6Low72.6Confident117 Ų11786.8 Ų86.882%0.81845%0.452SS*.THydrogen-bonded Turntrans-63.1-10.1173.8550000114L151S149-L151 VanDerWaalsContact C-N 3.28Å
150E62.4Low70.2Confident167 Ų16786 Ų8678%0.7847%0.465SS*.THydrogen-bonded Turntrans-74.3-20.1173.6-63-177169.200112.8S148S148-E150 PolarHBondContact O-N 2.92Å; S148-E150 PolarHBondContact OG-N 3.21Å
151L65.6Low68.1Low23 Ų2384.2 Ų84.212%0.1247%0.465CS..  trans-69.7133.8174.1-63.2164.3000109.5Q147 S148 S149 I165 R167 M271Q147-L151 HydrophobicContact CB-CD1 3.69Å; Q147-L151 HydrophobicContact CG-CD1 3.87Å; S148-L151 WeakPolarHBondContact O-CB 3.31Å; S148-L151 PolarHBondContact O-N 2.95Å; S149-L151 VanDerWaalsContact C-N 3.28Å; L151-I165 HydrophobicContact CD2-CB 3.55Å; L151-I165 HydrophobicContact CD2-CG2 3.41Å; L151-I165 VanDerWaalsContact CD2-CG2 3.41Å; L151-R167 HydrophobicContact CB-CB 3.68Å; L151-R167 HydrophobicContact CB-CG 4.02Å; L151-M271 HydrophobicContact CD2-CE 4.04Å
152R66.1Low65.9Low172 Ų17293.2 Ų93.265%0.64950%0.504SS*.BIsolated β-bridgetrans-107.3152-177.5-67.9-70.1-178.2133.3-2.3110.7C154 R167R152-C154 PolarHBondContact O-N 3.07Å; R152-R167 PolarHBondContact O-N 2.85Å
153D64.7Low64Low88 Ų8895.8 Ų95.847%0.47152%0.522SS..  trans-67.8125.6172.7-58.8-23.1000108.9D155 R167D153-D155 PolarHBondContact O-N 3.34Å; D153-R167 IonicContact OD1-CZ 3.51Å; D153-R167 VanDerWaalsContact OD1-CZ 3.27Å; D153-R167 IonicContact OD1-NE 3.11Å; D153-R167 PolarHBondContact OD1-NE 3.37Å; D153-R167 IonicContact OD1-NH2 2.81Å; D153-R167 PolarHBondContact OD1-NH2 2.74Å; D153-R167 IonicContact OD2-NH2 3.26Å; D153-R167 PolarHBondContact OD2-NH2 2.69Å
154C62.2Low62.7Low31 Ų3196.8 Ų96.821%0.20952%0.519CS..  trans-90.989.9-177.7-80.20000110.5R152 C166 T264R152-C154 PolarHBondContact O-N 3.07Å; C154-C166 HydrophobicContact CB-CB 3.71Å; C154-C166 WeakPolarHBondContact CB-SG 3.33Å; C154-C166 WeakPolarHBondContact SG-CA 3.24Å; C154-C166 WeakPolarHBondContact SG-CB 3.33Å; C154-C166 CovalentContact SG-SG 2.01Å; C154-C166 PolarHBondContact SG-SG 2.97Å; C154-T264 HydrophobicContact CB-CG2 4.33Å
155D57.1Low61.6Low110 Ų11099.8 Ų99.859%0.58854%0.535SS*.  trans-79.6121.8162-75-22.3000109.3D153 S157 T158D153-D155 PolarHBondContact O-N 3.34Å; D155-S157 PolarHBondContact O-N 2.89Å; D155-T158 PolarHBondContact O-N 3.28Å
156L52.8Low61Low101 Ų10194.8 Ų94.853%0.52952%0.517SS..THydrogen-bonded Turntrans-47.9-27.6174.9-78.9151.9000113N229L156-N229 HydrophobicContact CD1-CB 4.15Å
157S49.2Very low60.8Low104 Ų10492.7 Ų92.773%0.72750%0.5SS*.THydrogen-bonded Turntrans-79.5-18.4-177.261.10000115D155D155-S157 PolarHBondContact O-N 2.89Å
158T45.4Very low61.1Low92 Ų9291.3 Ų91.356%0.56449%0.494SS*.SBendtrans-121.89-168-37.50000113.7D155 T160D155-T158 PolarHBondContact O-N 3.28Å; T158-T160 VanDerWaalsContact C-N 3.33Å; T158-T160 PolarHBondContact O-N 3.36Å
159S44.5Very low61.8Low71 Ų7190.5 Ų90.550%0.49748%0.484SS..  trans-83.769-177.7-161.70000113.2G161S159-G161 VanDerWaalsContact C-N 3.27Å
160T46.7Very low62.8Low146 Ų14686.6 Ų86.690%0.89646%0.456SS*.  trans-91.418.4166-36.60000111.9T158T158-T160 VanDerWaalsContact C-N 3.33Å; T158-T160 PolarHBondContact O-N 3.36Å
161G49Very low64Low24 Ų2482.1 Ų82.125%0.24744%0.443CS..  trans-121.9106.6-178.300000112.1S159 N163 K164S159-G161 VanDerWaalsContact C-N 3.27Å; G161-N163 PolarHBondContact O-N 3.28Å; G161-K164 PolarHBondContact O-N 2.83Å
162K49.6Very low65.2Low190 Ų19085.6 Ų85.683%0.82645%0.454SS*.THydrogen-bonded Turntrans-60.3-3.8-174.2-70.8-173.5174.7-173.90116.9
163N53.9Low66.4Low158 Ų15877.5 Ų77.585%0.84542%0.424SS*.THydrogen-bonded Turntrans-131.424.8-173.4-79.810.2000114.4G161G161-N163 PolarHBondContact O-N 3.28Å
164K61.7Low67.6Low108 Ų10874.3 Ų74.347%0.4741%0.412SS..PPolyproline II helixtrans-90.5123.6176.6-67.4-176.1-179.4177.40110.2G161G161-K164 PolarHBondContact O-N 2.83Å
165I68Low69Low71 Ų7179.6 Ų79.636%0.36444%0.438SS..PPolyproline II helixtrans-87.7127.8172.2-54.6173.9000108.6L151 H269 M271L151-I165 HydrophobicContact CD2-CB 3.55Å; L151-I165 HydrophobicContact CD2-CG2 3.41Å; L151-I165 VanDerWaalsContact CD2-CG2 3.41Å; I165-H269 CarbonylContact C-O 3.53Å; I165-H269 WeakPolarHBondContact CA-O 3.47Å; I165-M271 HydrophobicContact CD1-CE 3.84Å; I165-M271 HydrophobicContact CD1-CG 4.43Å; I165-M271 HydrophobicContact CD1-SD 4.34Å; I165-M271 HydrophobicContact CG2-CB 4.45Å; I165-M271 HydrophobicContact CG2-CE 3.89Å; I165-M271 HydrophobicContact CG2-CG 4Å
166C76Confident70.6Confident5 Ų578 Ų783%0.03443%0.43CS..BIsolated β-bridgetrans-75129-176.2-600000112.1C154 F265 H269C154-C166 HydrophobicContact CB-CB 3.71Å; C154-C166 WeakPolarHBondContact CB-SG 3.33Å; C154-C166 WeakPolarHBondContact SG-CA 3.24Å; C154-C166 WeakPolarHBondContact SG-CB 3.33Å; C154-C166 CovalentContact SG-SG 2.01Å; C154-C166 PolarHBondContact SG-SG 2.97Å; C166-F265 HydrophobicContact CB-CD1 4.48Å; C166-F265 HydrophobicContact CB-CE1 3.94Å; C166-F265 HydrophobicContact CB-CZ 4.32Å; C166-H269 PolarHBondContact N-O 3.17Å
167R82.9Confident72.6Confident72 Ų7273.4 Ų73.427%0.27241%0.405SS..PPolyproline II helixtrans-79.3131.2167.4-164.5175.365.51110.7109.4Q147 L151 R152 D153Q147-R167 HydrophobicContact CB-CG 4.45Å; L151-R167 HydrophobicContact CB-CB 3.68Å; L151-R167 HydrophobicContact CB-CG 4.02Å; R152-R167 PolarHBondContact O-N 2.85Å; D153-R167 IonicContact OD1-CZ 3.51Å; D153-R167 VanDerWaalsContact OD1-CZ 3.27Å; D153-R167 IonicContact OD1-NE 3.11Å; D153-R167 PolarHBondContact OD1-NE 3.37Å; D153-R167 IonicContact OD1-NH2 2.81Å; D153-R167 PolarHBondContact OD1-NH2 2.74Å; D153-R167 IonicContact OD2-NH2 3.26Å; D153-R167 PolarHBondContact OD2-NH2 2.69Å
168F86.4Confident74.8Confident7 Ų770.2 Ų70.23%0.03138%0.382CS..PPolyproline II helixtrans-87.6122.9167.9-173-83.2000109.4Y144 Q147 W172 L173 F265 L275Y144-F168 HydrophobicContact CD1-CB 3.92Å; Y144-F168 AromaticContact CD1-CD1 3.68Å; Y144-F168 HydrophobicContact CD1-CD1 3.68Å; Y144-F168 HydrophobicContact CD1-CE1 4.49Å; Y144-F168 AromaticContact CD1-CG 3.91Å; Y144-F168 HydrophobicContact CD1-CG 3.91Å; Y144-F168 HydrophobicContact CE1-CB 4.23Å; Y144-F168 HydrophobicContact CE1-CD1 4.16Å; Y144-F168 HydrophobicContact CE1-CG 4.09Å; Q147-F168 PolarHBondContact NE2-O 2.78Å; Q147-F168 VanDerWaalsContact OE1-N 3.09Å; F168-W172 HydrophobicContact CD2-CE3 4.22Å; F168-W172 HydrophobicContact CD2-CZ3 4.07Å; F168-W172 HydrophobicContact CE2-CE3 4.09Å; F168-W172 HydrophobicContact CE2-CZ3 4.35Å; F168-W172 HydrophobicContact CG-CZ3 4.37Å; F168-W172 HydrophobicContact CZ-CE3 4.26Å; F168-L173 HydrophobicContact CE1-CD1 4.27Å; F168-L173 HydrophobicContact CE1-CD2 4.45Å; F168-L173 HydrophobicContact CE1-CG 4.15Å; F168-L173 HydrophobicContact CZ-CD2 4.21Å; F168-L173 HydrophobicContact CZ-CG 4.38Å; F168-F265 HydrophobicContact CB-CE1 3.76Å; F168-F265 HydrophobicContact CB-CZ 4.2Å; F168-F265 HydrophobicContact CD2-CD1 4.17Å; F168-F265 AromaticContact CD2-CE1 3.84Å; F168-F265 HydrophobicContact CD2-CE1 3.84Å; F168-F265 HydrophobicContact CD2-CE2 4.22Å; F168-F265 AromaticContact CD2-CZ 3.88Å; F168-F265 HydrophobicContact CD2-CZ 3.88Å; F168-F265 HydrophobicContact CG-CE1 4.31Å; F168-F265 HydrophobicContact CG-CZ 4.48Å; F168-L275 HydrophobicContact CD1-CD1 4.48Å; F168-L275 HydrophobicContact CE1-CB 4.17Å; F168-L275 HydrophobicContact CE1-CD1 4.03Å; F168-L275 HydrophobicContact CE1-CG 4.34Å; F168-L275 HydrophobicContact CE2-CB 4.28Å; F168-L275 HydrophobicContact CZ-CB 3.7Å; F168-L275 HydrophobicContact CZ-CD1 4.37Å; F168-L275 HydrophobicContact CZ-CG 4.19Å
169D86.1Confident77Confident43 Ų4368.6 Ų68.623%0.2337%0.374CS..PPolyproline II helixtrans-89.1120.4174.7-164.9-14.2000110.8S171 W172D169-S171 PolarHBondContact O-N 3.14Å; D169-S171 WeakPolarHBondContact OD1-CB 3.31Å; D169-S171 PolarHBondContact OD1-N 3.18Å; D169-S171 PolarHBondContact OD1-OG 2.85Å; D169-S171 VanDerWaalsContact OD1-OG 3.06Å; D169-S171 PolarHBondContact OD2-OG 3.05Å; D169-W172 HydrophobicContact CB-CD2 3.8Å; D169-W172 HydrophobicContact CB-CE3 4.29Å; D169-W172 HydrophobicContact CB-CG 4.18Å; D169-W172 HydrophobicContact CB-CH2 4.34Å; D169-W172 HydrophobicContact CB-CZ2 3.85Å; D169-W172 WeakPolarHBondContact O-CB 3.5Å; D169-W172 PolarHBondContact O-N 2.67Å
170V89.1Confident79.3Confident36 Ų3670.9 Ų70.922%0.21839%0.39CS..G310 helixtrans-64.4-20.7176.3-176.80000111R145 W172 L173R145-V170 HydrophobicContact CG-CG2 4.24Å; V170-W172 PolarHBondContact O-N 3.45Å; V170-L173 HydrophobicContact CG1-CD1 4.22Å; V170-L173 VanDerWaalsContact O-CB 3.27Å; V170-L173 WeakPolarHBondContact O-CB 3.35Å; V170-L173 PolarHBondContact O-N 3.19Å; V170-L173 VanDerWaalsContact O-N 3.14Å
171S87.6Confident81.4Confident73 Ų7365.7 Ų65.751%0.5136%0.357SS..G310 helixtrans-62.8-26175.173.70000113.3D169 L173 G174D169-S171 PolarHBondContact O-N 3.14Å; D169-S171 WeakPolarHBondContact OD1-CB 3.31Å; D169-S171 PolarHBondContact OD1-N 3.18Å; D169-S171 PolarHBondContact OD1-OG 2.85Å; D169-S171 VanDerWaalsContact OD1-OG 3.06Å; D169-S171 PolarHBondContact OD2-OG 3.05Å; S171-L173 PolarHBondContact O-N 3.4Å; S171-G174 PolarHBondContact O-N 2.82Å; S171-G174 VanDerWaalsContact O-N 3.16Å
172W90Very high83.6Confident96 Ų9665 Ų6536%0.36435%0.35SS..G310 helixtrans-66.3-18.5176.5-57.2-23.1000113.2F168 D169 V170 G174 P257 F265F168-W172 HydrophobicContact CD2-CE3 4.22Å; F168-W172 HydrophobicContact CD2-CZ3 4.07Å; F168-W172 HydrophobicContact CE2-CE3 4.09Å; F168-W172 HydrophobicContact CE2-CZ3 4.35Å; F168-W172 HydrophobicContact CG-CZ3 4.37Å; F168-W172 HydrophobicContact CZ-CE3 4.26Å; D169-W172 HydrophobicContact CB-CD2 3.8Å; D169-W172 HydrophobicContact CB-CE3 4.29Å; D169-W172 HydrophobicContact CB-CG 4.18Å; D169-W172 HydrophobicContact CB-CH2 4.34Å; D169-W172 HydrophobicContact CB-CZ2 3.85Å; D169-W172 WeakPolarHBondContact O-CB 3.5Å; D169-W172 PolarHBondContact O-N 2.67Å; V170-W172 PolarHBondContact O-N 3.45Å; W172-G174 PolarHBondContact O-N 3.07Å; W172-P257 HydrophobicContact CB-CG 4.29Å; W172-F265 HydrophobicContact CH2-CE2 4.23Å; W172-F265 AromaticContact CH2-CZ 3.92Å; W172-F265 HydrophobicContact CH2-CZ 3.92Å; W172-F265 AromaticContact CZ3-CE2 3.69Å; W172-F265 HydrophobicContact CZ3-CE2 3.69Å; W172-F265 AromaticContact CZ3-CZ 3.52Å; W172-F265 HydrophobicContact CZ3-CZ 3.52Å
173L92.5Very high85.8Confident2 Ų256 Ų561%0.0131%0.311CS..G310 helixtrans-76.15.7175.9-65.1-178.2000113.4L141 F168 V170 S171 F256 L275 F277L141-L173 HydrophobicContact CD2-CD1 3.9Å; F168-L173 HydrophobicContact CE1-CD1 4.27Å; F168-L173 HydrophobicContact CE1-CD2 4.45Å; F168-L173 HydrophobicContact CE1-CG 4.15Å; F168-L173 HydrophobicContact CZ-CD2 4.21Å; F168-L173 HydrophobicContact CZ-CG 4.38Å; V170-L173 HydrophobicContact CG1-CD1 4.22Å; V170-L173 VanDerWaalsContact O-CB 3.27Å; V170-L173 WeakPolarHBondContact O-CB 3.35Å; V170-L173 PolarHBondContact O-N 3.19Å; V170-L173 VanDerWaalsContact O-N 3.14Å; S171-L173 PolarHBondContact O-N 3.4Å; L173-F256 WeakPolarHBondContact CD2-O 3.39Å; L173-F256 WeakPolarHBondContact O-CB 3.47Å; L173-L275 HydrophobicContact CD1-CB 4.4Å; L173-L275 HydrophobicContact CD1-CD1 4.14Å; L173-L275 HydrophobicContact CD2-CB 3.93Å; L173-F277 HydrophobicContact CB-CD2 3.7Å; L173-F277 HydrophobicContact CB-CE2 3.87Å; L173-F277 HydrophobicContact CD1-CD2 4.1Å; L173-F277 HydrophobicContact CD1-CE2 3.7Å; L173-F277 HydrophobicContact CD2-CD2 4.15Å; L173-F277 HydrophobicContact CG-CD2 4.21Å; L173-F277 HydrophobicContact CG-CE2 4.26Å
174G88.9Confident87.7Confident21 Ų2148.5 Ų48.522%0.21627%0.27CS..THydrogen-bonded Turntrans73.5168172.900000114.3S171 W172S171-G174 PolarHBondContact O-N 2.82Å; S171-G174 VanDerWaalsContact O-N 3.16Å; W172-G174 PolarHBondContact O-N 3.07Å
175D91Very high89.2Confident141 Ų14143.4 Ų43.475%0.75425%0.248SC*.THydrogen-bonded Turntrans-83.9-16.6-174.4-62.9-40.5000113.4T178D175-T178 VanDerWaalsContact O-CG2 3.25Å; D175-T178 WeakPolarHBondContact O-CG2 3.34Å; D175-T178 PolarHBondContact O-OG1 3.48Å; D175-T178 VanDerWaalsContact O-OG1 3.08Å
176N91.7Very high90.3Very high78 Ų7843.6 Ų43.642%0.41726%0.26SS..THydrogen-bonded Turntrans-74.5-40.1-175.7-69.4-34.5000112.8T178 N181 F256N176-T178 PolarHBondContact O-N 3.1Å; N176-N181 PolarHBondContact O-ND2 2.93Å; N176-F256 HydrophobicContact CB-CE1 4.47Å; N176-F256 HydrophobicContact CB-CE2 4.15Å; N176-F256 HydrophobicContact CB-CZ 3.95Å; N176-F256 WeakPolarHBondContact ND2-CE1 3.29Å; N176-F256 WeakPolarHBondContact ND2-CZ 3.42Å
177C94.8Very high91.1Very high3 Ų347 Ų472%0.0228%0.281CS..THydrogen-bonded Turntrans-102.653.8-176.2-590000111.1Y183 C191 F277C177-Y183 VanDerWaalsContact O-CD1 3.28Å; C177-Y183 WeakPolarHBondContact O-CD1 3.37Å; C177-C191 VanDerWaalsContact CA-SG 3.55Å; C177-C191 HydrophobicContact CB-CB 3.65Å; C177-C191 WeakPolarHBondContact CB-SG 3.37Å; C177-C191 WeakPolarHBondContact SG-CB 3.22Å; C177-C191 CovalentContact SG-SG 2.03Å; C177-C191 PolarHBondContact SG-SG 2.87Å; C177-F277 HydrophobicContact CB-CB 3.93Å; C177-F277 HydrophobicContact CB-CD1 4.05Å; C177-F277 HydrophobicContact CB-CD2 3.3Å; C177-F277 HydrophobicContact CB-CE1 4.4Å; C177-F277 HydrophobicContact CB-CE2 3.74Å; C177-F277 HydrophobicContact CB-CG 3.51Å; C177-F277 HydrophobicContact CB-CZ 4.28Å; C177-F277 VanDerWaalsContact O-CE2 3.25Å; C177-F277 WeakPolarHBondContact O-CE2 3.48Å
178T94Very high91.5Very high38 Ų3843.8 Ų43.823%0.23327%0.271CS..  trans-100.5154.6-177.250.40000112.2D175 N176 S180 N181 G182 Y183D175-T178 VanDerWaalsContact O-CG2 3.25Å; D175-T178 WeakPolarHBondContact O-CG2 3.34Å; D175-T178 PolarHBondContact O-OG1 3.48Å; D175-T178 VanDerWaalsContact O-OG1 3.08Å; N176-T178 PolarHBondContact O-N 3.1Å; T178-S180 VanDerWaalsContact C-N 3.25Å; T178-S180 PolarHBondContact O-N 3.25Å; T178-S180 PolarHBondContact OG1-OG 3Å; T178-N181 CarbonylContact O-C 3.56Å; T178-N181 PolarHBondContact O-N 3.11Å; T178-N181 VanDerWaalsContact O-N 3.15Å; T178-G182 PolarHBondContact O-N 3.37Å; T178-Y183 PolarHBondContact O-N 3.47Å
179S92.5Very high91.9Very high57 Ų5745 Ų4540%0.39928%0.278SS..G310 helixtrans-60.7-34.3177.5177.60000112.5N181 G182S179-N181 VanDerWaalsContact C-N 3.3Å; S179-N181 PolarHBondContact O-N 2.93Å; S179-G182 PolarHBondContact O-N 3.13Å
180S91.7Very high92.4Very high119 Ų11943 Ų4383%0.83227%0.267SS*.G310 helixtrans-63.3-34.1176.250.30000113.2T178 G182T178-S180 VanDerWaalsContact C-N 3.25Å; T178-S180 PolarHBondContact O-N 3.25Å; T178-S180 PolarHBondContact OG1-OG 3Å; S180-G182 VanDerWaalsContact C-N 3.28Å
181N92.9Very high92.8Very high37 Ų3741.3 Ų41.320%0.19826%0.257CS..G310 helixtrans-91.312.1175.2-167.528.8000112.7N176 T178 S179 Y183 G184 A186 T187N176-N181 PolarHBondContact O-ND2 2.93Å; T178-N181 CarbonylContact O-C 3.56Å; T178-N181 PolarHBondContact O-N 3.11Å; T178-N181 VanDerWaalsContact O-N 3.15Å; S179-N181 VanDerWaalsContact C-N 3.3Å; S179-N181 PolarHBondContact O-N 2.93Å; N181-Y183 PolarHBondContact O-N 3.31Å; N181-G184 PolarHBondContact O-N 3.04Å; N181-G184 VanDerWaalsContact O-N 3.17Å; N181-A186 WeakPolarHBondContact O-CB 3.23Å; N181-A186 PolarHBondContact O-N 3.14Å; N181-T187 WeakPolarHBondContact ND2-CG2 3.48Å; N181-T187 PolarHBondContact ND2-OG1 3.3Å; N181-T187 VanDerWaalsContact ND2-OG1 3.14Å; N181-T187 VanDerWaalsContact OD1-CG2 3.28Å; N181-T187 WeakPolarHBondContact OD1-CG2 3.34Å
182G94.3Very high93.2Very high10 Ų1037.9 Ų37.910%0.10323%0.233CC..G310 helixtrans53.343-174.300000111.9T178 S179 S180 G184 F185T178-G182 PolarHBondContact O-N 3.37Å; S179-G182 PolarHBondContact O-N 3.13Å; S180-G182 VanDerWaalsContact C-N 3.28Å; G182-G184 VanDerWaalsContact C-N 3.29Å; G182-G184 PolarHBondContact O-N 3.1Å; G182-F185 WeakPolarHBondContact O-CB 3.38Å; G182-F185 VanDerWaalsContact O-CD2 3.23Å; G182-F185 WeakPolarHBondContact O-CD2 3.35Å; G182-F185 PolarHBondContact O-N 2.88Å; G182-F185 VanDerWaalsContact O-N 3.12Å
183Y95.9Very high93.6Very high1 Ų133.3 Ų33.30%0.00422%0.215CC..G310 helixtrans52.242.8-178-55.2-77.5000113.9I134 M137 S138 L141 R145 C177 T178 N181 F185 C191 F277I134-Y183 HydrophobicContact CB-CD2 4.4Å; I134-Y183 HydrophobicContact CG1-CD2 4.41Å; I134-Y183 HydrophobicContact CG2-CD2 4.03Å; I134-Y183 HydrophobicContact CG2-CE2 4.13Å; I134-Y183 WeakPolarHBondContact O-CE2 3.46Å; M137-Y183 HydrophobicContact CB-CD2 3.9Å; M137-Y183 HydrophobicContact CB-CE1 4.49Å; M137-Y183 HydrophobicContact CB-CE2 3.73Å; M137-Y183 HydrophobicContact CB-CG 4.37Å; M137-Y183 HydrophobicContact CE-CD1 3.89Å; M137-Y183 HydrophobicContact CE-CD2 4.14Å; M137-Y183 HydrophobicContact CE-CG 3.58Å; M137-Y183 HydrophobicContact SD-CD2 4.08Å; M137-Y183 HydrophobicContact SD-CG 4.09Å; S138-Y183 VanDerWaalsContact CA-OH 3.31Å; S138-Y183 WeakPolarHBondContact CA-OH 3.46Å; S138-Y183 WeakPolarHBondContact OG-CE2 3.46Å; S138-Y183 PolarHBondContact OG-OH 3.49Å; L141-Y183 HydrophobicContact CD1-CE1 3.58Å; L141-Y183 WeakPolarHBondContact CD1-OH 3.16Å; R145-Y183 PolarHBondContact NH2-OH 2.77Å; C177-Y183 VanDerWaalsContact O-CD1 3.28Å; C177-Y183 WeakPolarHBondContact O-CD1 3.37Å; T178-Y183 PolarHBondContact O-N 3.47Å; N181-Y183 PolarHBondContact O-N 3.31Å; Y183-F185 PolarHBondContact O-N 3.14Å; Y183-C191 VanDerWaalsContact O-CB 3.23Å; Y183-C191 WeakPolarHBondContact O-CB 3.5Å; Y183-C191 PolarHBondContact O-N 3.38Å; Y183-C191 PolarHBondContact O-SG 3.21Å; Y183-F277 HydrophobicContact CD1-CE1 4.03Å; Y183-F277 HydrophobicContact CD1-CE2 4.22Å; Y183-F277 AromaticContact CD1-CZ 3.49Å; Y183-F277 HydrophobicContact CD1-CZ 3.49Å; Y183-F277 VanDerWaalsContact CD1-CZ 3.49Å; Y183-F277 HydrophobicContact CE1-CE2 4.37Å; Y183-F277 AromaticContact CE1-CZ 3.68Å; Y183-F277 HydrophobicContact CE1-CZ 3.68Å
184G94.1Very high93.8Very high0 Ų033.2 Ų33.20%022%0.215CC..G310 helixtrans79.9-8.9176.900000115N181 G182 A186 T187 G188 N189N181-G184 PolarHBondContact O-N 3.04Å; N181-G184 VanDerWaalsContact O-N 3.17Å; G182-G184 VanDerWaalsContact C-N 3.29Å; G182-G184 PolarHBondContact O-N 3.1Å; G184-A186 VanDerWaalsContact C-N 3.26Å; G184-A186 PolarHBondContact O-N 3.47Å; G184-T187 PolarHBondContact O-N 3.02Å; G184-T187 PolarHBondContact O-OG1 2.75Å; G184-T187 VanDerWaalsContact O-OG1 3.12Å; G184-G188 PolarHBondContact O-N 3.06Å; G184-G188 VanDerWaalsContact O-N 3.16Å; G184-N189 CarbonylContact C-O 3.57Å; G184-N189 VanDerWaalsContact C-O 3.25Å; G184-N189 WeakPolarHBondContact CA-O 3.4Å; G184-N189 CarbonylContact O-C 3.2Å; G184-N189 PolarHBondContact O-N 3.06Å; G184-N189 VanDerWaalsContact O-O 3.12Å
185F93.3Very high94.2Very high1 Ų132.2 Ų32.20%0.00421%0.205CC..THydrogen-bonded Turntrans-64.3-31.7174.8-73.6-94.4000112.2L118 Y120 R130 Y133 I134 M137 G182 Y183 G188 P190L118-F185 HydrophobicContact CD1-CZ 4.21Å; Y120-F185 AromaticContact CD2-CD1 3.84Å; Y120-F185 HydrophobicContact CD2-CD1 3.84Å; Y120-F185 HydrophobicContact CD2-CE1 4.48Å; Y120-F185 HydrophobicContact CE2-CD1 4.37Å; Y120-F185 VanDerWaalsContact CE2-O 3.3Å; Y120-F185 WeakPolarHBondContact CE2-O 3.39Å; Y120-F185 PolarHBondContact OH-O 2.86Å; R130-F185 HydrophobicContact CG-CB 3.78Å; R130-F185 HydrophobicContact CG-CD1 3.6Å; R130-F185 HydrophobicContact CG-CE1 4.38Å; R130-F185 HydrophobicContact CG-CG 3.88Å; Y133-F185 AromaticContact CD2-CE1 3.92Å; Y133-F185 HydrophobicContact CD2-CE1 3.92Å; Y133-F185 AromaticContact CD2-CZ 3.97Å; Y133-F185 HydrophobicContact CD2-CZ 3.97Å; Y133-F185 HydrophobicContact CG-CZ 4.45Å; I134-F185 HydrophobicContact CD1-CB 4.25Å; I134-F185 HydrophobicContact CG1-CD2 4.1Å; M137-F185 HydrophobicContact SD-CE2 4.18Å; G182-F185 WeakPolarHBondContact O-CB 3.38Å; G182-F185 VanDerWaalsContact O-CD2 3.23Å; G182-F185 WeakPolarHBondContact O-CD2 3.35Å; G182-F185 PolarHBondContact O-N 2.88Å; G182-F185 VanDerWaalsContact O-N 3.12Å; Y183-F185 PolarHBondContact O-N 3.14Å; F185-G188 PolarHBondContact O-N 2.95Å; F185-P190 HydrophobicContact CD1-CB 3.77Å; F185-P190 HydrophobicContact CD2-CB 4.2Å; F185-P190 HydrophobicContact CE1-CB 3.66Å; F185-P190 HydrophobicContact CE2-CB 4.11Å; F185-P190 HydrophobicContact CG-CB 4.05Å; F185-P190 HydrophobicContact CZ-CB 3.84Å
186A90.9Very high94.3Very high75 Ų7525.5 Ų25.562%0.6217%0.169SC*.THydrogen-bonded Turntrans-72.1-30.5177.400000112.9N181 G184N181-A186 WeakPolarHBondContact O-CB 3.23Å; N181-A186 PolarHBondContact O-N 3.14Å; G184-A186 VanDerWaalsContact C-N 3.26Å; G184-A186 PolarHBondContact O-N 3.47Å
187T91.9Very high94.3Very high76 Ų7624.9 Ų24.947%0.46616%0.161SC..THydrogen-bonded Turntrans-89.3-0.9176.749.30000113.8N181 G184 N189N181-T187 WeakPolarHBondContact ND2-CG2 3.48Å; N181-T187 PolarHBondContact ND2-OG1 3.3Å; N181-T187 VanDerWaalsContact ND2-OG1 3.14Å; N181-T187 VanDerWaalsContact OD1-CG2 3.28Å; N181-T187 WeakPolarHBondContact OD1-CG2 3.34Å; G184-T187 PolarHBondContact O-N 3.02Å; G184-T187 PolarHBondContact O-OG1 2.75Å; G184-T187 VanDerWaalsContact O-OG1 3.12Å; T187-N189 VanDerWaalsContact C-N 3.32Å; T187-N189 PolarHBondContact O-ND2 3.42Å; T187-N189 VanDerWaalsContact O-ND2 3.14Å
188G92Very high93.8Very high6 Ų630.3 Ų30.36%0.06219%0.189CC..THydrogen-bonded Turntrans71.725.2-177.100000115.4Y120 G184 F185Y120-G188 VanDerWaalsContact CZ-CA 3.48Å; Y120-G188 WeakPolarHBondContact OH-CA 3.43Å; G184-G188 PolarHBondContact O-N 3.06Å; G184-G188 VanDerWaalsContact O-N 3.16Å; F185-G188 PolarHBondContact O-N 2.95Å
189N94.9Very high93.3Very high33 Ų3329 Ų2918%0.17618%0.181CC..  trans-129.174.9171.8-56.5-75.3000107.7G184 T187 C191 Q279 I280 A281 Q282G184-N189 CarbonylContact C-O 3.57Å; G184-N189 VanDerWaalsContact C-O 3.25Å; G184-N189 WeakPolarHBondContact CA-O 3.4Å; G184-N189 CarbonylContact O-C 3.2Å; G184-N189 PolarHBondContact O-N 3.06Å; G184-N189 VanDerWaalsContact O-O 3.12Å; T187-N189 VanDerWaalsContact C-N 3.32Å; T187-N189 PolarHBondContact O-ND2 3.42Å; T187-N189 VanDerWaalsContact O-ND2 3.14Å; N189-C191 PolarHBondContact O-N 3.45Å; N189-Q279 HydrophobicContact CB-CG 3.82Å; N189-Q279 WeakPolarHBondContact O-CG 3.37Å; N189-Q279 PolarHBondContact O-NE2 2.78Å; N189-I280 CarbonylContact C-O 3.51Å; N189-I280 VanDerWaalsContact CA-O 3.25Å; N189-I280 WeakPolarHBondContact CA-O 3.44Å; N189-A281 WeakPolarHBondContact OD1-CA 3.28Å; N189-Q282 PolarHBondContact OD1-N 3.01Å
190P95.9Very high92.9Very high0 Ų028.8 Ų28.80%019%0.188CC..  trans-60.2136.2-173.626.8-34.9000110.9Y120 F185 I280 P283Y120-P190 HydrophobicContact CG-CG 4.41Å; F185-P190 HydrophobicContact CD1-CB 3.77Å; F185-P190 HydrophobicContact CD2-CB 4.2Å; F185-P190 HydrophobicContact CE1-CB 3.66Å; F185-P190 HydrophobicContact CE2-CB 4.11Å; F185-P190 HydrophobicContact CG-CB 4.05Å; F185-P190 HydrophobicContact CZ-CB 3.84Å; P190-I280 PolarHBondContact O-N 3.49Å; P190-P283 HydrophobicContact CG-CG 3.75Å
191C97.2Very high92.6Very high0 Ų032.3 Ų32.30%019%0.191CC..EExtended strand (participates in β ladder)trans-98.9142.8173-53.90000110.6M137 C177 Y183 N189 F277 V278M137-C191 WeakPolarHBondContact CE-O 3.04Å; C177-C191 VanDerWaalsContact CA-SG 3.55Å; C177-C191 HydrophobicContact CB-CB 3.65Å; C177-C191 WeakPolarHBondContact CB-SG 3.37Å; C177-C191 WeakPolarHBondContact SG-CB 3.22Å; C177-C191 CovalentContact SG-SG 2.03Å; C177-C191 PolarHBondContact SG-SG 2.87Å; Y183-C191 VanDerWaalsContact O-CB 3.23Å; Y183-C191 WeakPolarHBondContact O-CB 3.5Å; Y183-C191 PolarHBondContact O-N 3.38Å; Y183-C191 PolarHBondContact O-SG 3.21Å; N189-C191 PolarHBondContact O-N 3.45Å; C191-F277 HydrophobicContact CB-CD1 3.89Å; C191-F277 HydrophobicContact CB-CE1 4.42Å; C191-F277 HydrophobicContact CB-CG 4.38Å; C191-V278 CarbonylContact C-O 3.57Å; C191-V278 WeakPolarHBondContact CA-O 3.29Å
192V97.3Very high92.4Very high1 Ų131.3 Ų31.31%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-116.1130.9171.3176.90000107.4M106 L118 F194 F277 V278 F311M106-V192 HydrophobicContact CE-CG1 3.58Å; M106-V192 HydrophobicContact CE-CG2 4.18Å; M106-V192 HydrophobicContact CG-CG1 3.43Å; M106-V192 VanDerWaalsContact CG-CG1 3.43Å; M106-V192 HydrophobicContact SD-CG1 3.9Å; L118-V192 HydrophobicContact CD2-CG2 3.75Å; V192-F194 HydrophobicContact CB-CE2 4.1Å; V192-F194 HydrophobicContact CG1-CD2 4.19Å; V192-F194 HydrophobicContact CG1-CE2 3.67Å; V192-F194 HydrophobicContact CG1-CZ 4.05Å; V192-F277 WeakPolarHBondContact O-CA 3.42Å; V192-V278 PolarHBondContact N-O 3.17Å; V192-V278 PolarHBondContact O-N 3.49Å; V192-F311 HydrophobicContact CG2-CZ 4.39Å
193L97.7Very high92.2Very high0 Ų035.8 Ų35.80%021%0.205CC..EExtended strand (participates in β ladder)trans-86.9126.1177.4179.965.5000109.1M106 V107 M137 Y140 L141 V195 L275 F277M106-L193 CarbonylContact C-O 3.43Å; M106-L193 WeakPolarHBondContact CA-O 3.3Å; V107-L193 HydrophobicContact CB-CB 4.06Å; V107-L193 HydrophobicContact CB-CD2 4.26Å; V107-L193 PolarHBondContact N-O 2.92Å; V107-L193 PolarHBondContact O-N 2.79Å; M137-L193 HydrophobicContact CE-CB 4.43Å; Y140-L193 HydrophobicContact CD1-CD2 3.75Å; Y140-L193 HydrophobicContact CE1-CD2 4.36Å; Y140-L193 HydrophobicContact CG-CD2 4.4Å; L141-L193 HydrophobicContact CD2-CD2 4.35Å; L141-L193 HydrophobicContact CG-CD2 4.28Å; L193-V195 HydrophobicContact CD2-CG2 4.43Å; L193-V195 HydrophobicContact CG-CG2 4.29Å; L193-L275 HydrophobicContact CD1-CB 4.04Å; L193-L275 HydrophobicContact CD1-CD1 4.4Å; L193-L275 HydrophobicContact CD1-CD2 4.23Å; L193-L275 HydrophobicContact CD1-CG 4.48Å; L193-L275 HydrophobicContact CD2-CD2 4.42Å; L193-L275 HydrophobicContact CG-CD2 4.47Å; L193-F277 HydrophobicContact CB-CD1 3.91Å; L193-F277 HydrophobicContact CB-CE1 3.55Å; L193-F277 HydrophobicContact CB-CZ 4.39Å; L193-F277 HydrophobicContact CD1-CD1 3.98Å; L193-F277 HydrophobicContact CD1-CE1 3.77Å; L193-F277 HydrophobicContact CD1-CE2 4.41Å; L193-F277 HydrophobicContact CD1-CG 4.36Å; L193-F277 HydrophobicContact CD1-CZ 4Å; L193-F277 HydrophobicContact CG-CE1 4.21Å
194F97.8Very high92Very high0 Ų036.5 Ų36.50%021%0.21CC..EExtended strand (participates in β ladder)trans-105.4137.8168.1-72.2-89.2000110.3L104 Y105 M106 V192 I233 F261 L275 V276 V278 C293 I309 F311L104-F194 HydrophobicContact CD1-CB 4.03Å; L104-F194 HydrophobicContact CD1-CD1 3.91Å; L104-F194 HydrophobicContact CD1-CG 4.4Å; L104-F194 HydrophobicContact CD2-CD1 4.01Å; L104-F194 HydrophobicContact CD2-CE1 4.31Å; L104-F194 HydrophobicContact CG-CD1 3.92Å; Y105-F194 CarbonylContact O-C 3.56Å; Y105-F194 WeakPolarHBondContact O-CA 3.34Å; M106-F194 HydrophobicContact CB-CD1 4.4Å; M106-F194 HydrophobicContact CB-CE1 4.09Å; M106-F194 HydrophobicContact CG-CE1 4.31Å; M106-F194 HydrophobicContact CG-CZ 4.4Å; M106-F194 HydrophobicContact SD-CZ 4.39Å; V192-F194 HydrophobicContact CB-CE2 4.1Å; V192-F194 HydrophobicContact CG1-CD2 4.19Å; V192-F194 HydrophobicContact CG1-CE2 3.67Å; V192-F194 HydrophobicContact CG1-CZ 4.05Å; F194-I233 HydrophobicContact CB-CD1 3.86Å; F194-I233 HydrophobicContact CD1-CD1 3.98Å; F194-I233 HydrophobicContact CD2-CD1 3.96Å; F194-I233 HydrophobicContact CG-CD1 3.64Å; F194-F261 HydrophobicContact CB-CZ 3.86Å; F194-F261 WeakPolarHBondContact O-CE1 2.8Å; F194-L275 WeakPolarHBondContact O-CA 3.32Å; F194-V276 PolarHBondContact N-O 3.2Å; F194-V276 PolarHBondContact O-N 2.99Å; F194-V278 HydrophobicContact CD2-CB 3.98Å; F194-V278 HydrophobicContact CD2-CG2 3.43Å; F194-V278 VanDerWaalsContact CD2-CG2 3.43Å; F194-V278 HydrophobicContact CE2-CB 3.82Å; F194-V278 HydrophobicContact CE2-CG2 3.58Å; F194-C293 HydrophobicContact CE1-CB 3.86Å; F194-C293 HydrophobicContact CE2-CB 4.33Å; F194-C293 HydrophobicContact CZ-CB 3.63Å; F194-C293 WeakPolarHBondContact CZ-SG 3.4Å; F194-I309 HydrophobicContact CD1-CD1 4.3Å; F194-I309 HydrophobicContact CE1-CB 4.24Å; F194-I309 HydrophobicContact CE1-CD1 4.1Å; F194-I309 HydrophobicContact CE1-CG2 4.47Å; F194-F311 HydrophobicContact CZ-CE1 4.05Å
195V96Very high92Very high0 Ų040 Ų400%023%0.231CC..EExtended strand (participates in β ladder)trans-122.7129.2-178.2-172.50000107.6L104 Y105 V107 Y140 L193 R197 P273 L275L104-V195 CarbonylContact C-O 3.56Å; L104-V195 WeakPolarHBondContact CA-O 3.45Å; Y105-V195 HydrophobicContact CD1-CB 4.27Å; Y105-V195 HydrophobicContact CD1-CG2 4.08Å; Y105-V195 PolarHBondContact N-O 3.42Å; Y105-V195 PolarHBondContact O-N 3.32Å; V107-V195 HydrophobicContact CG2-CG2 4.3Å; Y140-V195 HydrophobicContact CD1-CG2 4.49Å; Y140-V195 HydrophobicContact CE1-CG1 4.41Å; Y140-V195 HydrophobicContact CE1-CG2 3.69Å; Y140-V195 VanDerWaalsContact OH-CG1 3.29Å; Y140-V195 WeakPolarHBondContact OH-CG1 3.47Å; L193-V195 HydrophobicContact CD2-CG2 4.43Å; L193-V195 HydrophobicContact CG-CG2 4.29Å; V195-R197 HydrophobicContact CG1-CG 3.99Å; V195-P273 HydrophobicContact CG1-CB 3.8Å; V195-P273 HydrophobicContact CG1-CG 3.55Å; V195-L275 HydrophobicContact CB-CD2 4.07Å; V195-L275 HydrophobicContact CG1-CD2 3.87Å; V195-L275 HydrophobicContact CG2-CD2 3.64Å
196L94.5Very high92Very high1 Ų141 Ų411%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-96.194.8170.8-174.457.2000109.3V199 I231 F261 L266 P273 P274 I295L196-V199 HydrophobicContact CD1-CG1 4.06Å; L196-V199 HydrophobicContact CG-CG1 4.12Å; L196-I231 HydrophobicContact CD2-CD1 3.57Å; L196-F261 HydrophobicContact CB-CD1 3.71Å; L196-F261 HydrophobicContact CB-CD2 4.35Å; L196-F261 HydrophobicContact CB-CE1 3.82Å; L196-F261 HydrophobicContact CB-CE2 4.44Å; L196-F261 HydrophobicContact CB-CG 3.99Å; L196-F261 HydrophobicContact CB-CZ 4.19Å; L196-F261 HydrophobicContact CD2-CB 4.1Å; L196-F261 HydrophobicContact CD2-CD2 4.27Å; L196-F261 HydrophobicContact CD2-CG 4.1Å; L196-L266 HydrophobicContact CD2-CD1 4.11Å; L196-L266 HydrophobicContact CD2-CD2 3.92Å; L196-L266 HydrophobicContact CG-CD2 4.1Å; L196-P273 WeakPolarHBondContact O-CB 3.41Å; L196-P274 HydrophobicContact CB-CG 4.19Å; L196-P274 PolarHBondContact N-O 2.72Å; L196-I295 HydrophobicContact CD1-CD1 3.81Å
197R91Very high92Very high64 Ų6439.2 Ų39.224%0.24222%0.219CC..EExtended strand (participates in β ladder)trans-78.3168.1179.3-55-173.4-171.8-162.77.7111.4A101 G103 Y105 V195 V199A101-R197 WeakPolarHBondContact O-CB 3.17Å; G103-R197 PolarHBondContact N-O 2.84Å; G103-R197 WeakPolarHBondContact O-CB 3.44Å; G103-R197 PolarHBondContact O-N 2.89Å; Y105-R197 VanDerWaalsContact CG-CZ 3.45Å; Y105-R197 PolarHBondContact OH-NH2 3.49Å; V195-R197 HydrophobicContact CG1-CG 3.99Å; R197-V199 WeakPolarHBondContact O-CG1 3.25Å; R197-V199 PolarHBondContact O-N 3.18Å
198N83.9Confident92Very high117 Ų11740 Ų4063%0.62622%0.217SC*.  trans-18.5109.8177.9-177.615.8000114.1S102 G103 G200S102-N198 WeakPolarHBondContact CA-O 3.32Å; S102-N198 PolarHBondContact OG-O 3.44Å; G103-N198 PolarHBondContact N-O 3.38Å; N198-G200 PolarHBondContact OD1-N 2.68Å
199V84Confident92Very high11 Ų1144.4 Ų44.47%0.06725%0.245CC..  trans-97.67.5178.7-62.30000112.8L196 R197 H201 W202 L266 L303L196-V199 HydrophobicContact CD1-CG1 4.06Å; L196-V199 HydrophobicContact CG-CG1 4.12Å; R197-V199 WeakPolarHBondContact O-CG1 3.25Å; R197-V199 PolarHBondContact O-N 3.18Å; V199-H201 PolarHBondContact O-N 2.84Å; V199-W202 HydrophobicContact CB-CB 4.43Å; V199-W202 HydrophobicContact CB-CE3 3.8Å; V199-W202 HydrophobicContact CG1-CE3 3.93Å; V199-W202 HydrophobicContact CG1-CZ3 4.16Å; V199-W202 HydrophobicContact CG2-CE3 4.15Å; V199-W202 VanDerWaalsContact O-CB 3.3Å; V199-W202 WeakPolarHBondContact O-CB 3.24Å; V199-W202 PolarHBondContact O-N 3.23Å; V199-W202 VanDerWaalsContact O-N 3.14Å; V199-L266 HydrophobicContact CG1-CD2 4.23Å; V199-L266 HydrophobicContact CG2-CB 4.32Å; V199-L266 HydrophobicContact CG2-CD1 4.36Å; V199-L266 HydrophobicContact CG2-CD2 4.18Å; V199-L303 HydrophobicContact CB-CD1 3.8Å; V199-L303 HydrophobicContact CG1-CD1 3.92Å
200G84Confident91.8Very high52 Ų5244.3 Ų44.354%0.53624%0.243SC..THydrogen-bonded Turntrans61.7-122.9-17900000112.2N198N198-G200 PolarHBondContact OD1-N 2.68Å
201H85Confident91.6Very high193 Ų19344.4 Ų44.489%0.89424%0.243SC*.THydrogen-bonded Turntrans-97.55.4178.4-60.9-58.9000113.6V199 I203V199-H201 PolarHBondContact O-N 2.84Å; H201-I203 PolarHBondContact O-N 3.12Å
202W90Very high91.3Very high17 Ų1747.9 Ų47.96%0.06426%0.262CS..  trans-71.5125.1-179.8176.575.3000110.7V199 P204 I231 L266 A297 N299 I300 L303V199-W202 HydrophobicContact CB-CB 4.43Å; V199-W202 HydrophobicContact CB-CE3 3.8Å; V199-W202 HydrophobicContact CG1-CE3 3.93Å; V199-W202 HydrophobicContact CG1-CZ3 4.16Å; V199-W202 HydrophobicContact CG2-CE3 4.15Å; V199-W202 VanDerWaalsContact O-CB 3.3Å; V199-W202 WeakPolarHBondContact O-CB 3.24Å; V199-W202 PolarHBondContact O-N 3.23Å; V199-W202 VanDerWaalsContact O-N 3.14Å; W202-P204 HydrophobicContact CH2-CB 3.67Å; W202-P204 HydrophobicContact CZ2-CB 3.9Å; W202-P204 HydrophobicContact CZ3-CB 4.06Å; W202-P204 HydrophobicContact CZ3-CG 4.46Å; W202-I231 HydrophobicContact CH2-CD1 3.89Å; W202-I231 HydrophobicContact CZ3-CD1 3.78Å; W202-L266 HydrophobicContact CZ3-CD1 4.42Å; W202-A297 HydrophobicContact CH2-CB 4.33Å; W202-A297 HydrophobicContact CZ2-CB 3.82Å; W202-N299 PolarHBondContact NE1-ND2 3.16Å; W202-N299 PolarHBondContact NE1-O 2.68Å; W202-N299 VanDerWaalsContact NE1-O 3.13Å; W202-I300 HydrophobicContact CH2-CD1 4.19Å; W202-I300 HydrophobicContact CZ2-CD1 3.9Å; W202-L303 HydrophobicContact CB-CD1 4.06Å; W202-L303 HydrophobicContact CD2-CB 4.04Å; W202-L303 HydrophobicContact CD2-CD1 3.94Å; W202-L303 HydrophobicContact CD2-CG 4.43Å; W202-L303 HydrophobicContact CE3-CD1 3.88Å; W202-L303 HydrophobicContact CG-CB 4.07Å; W202-L303 HydrophobicContact CG-CD1 4.07Å; W202-L303 HydrophobicContact CZ3-CD2 4.43Å
203I89.4Confident91Very high103 Ų10350.4 Ų50.453%0.52828%0.28SS..  trans-109.1121.1171.8-59.7174000107H201 V205 N299H201-I203 PolarHBondContact O-N 3.12Å; I203-V205 PolarHBondContact O-N 2.94Å; I203-N299 PolarHBondContact O-ND2 3.39Å
204P92.4Very high90.5Very high16 Ų1652.3 Ų52.310%0.10429%0.29CS..  trans-64.8129.6178.928.3-36.9000110.9W202 I231 V263 L266 A297W202-P204 HydrophobicContact CH2-CB 3.67Å; W202-P204 HydrophobicContact CZ2-CB 3.9Å; W202-P204 HydrophobicContact CZ3-CB 4.06Å; W202-P204 HydrophobicContact CZ3-CG 4.46Å; P204-I231 HydrophobicContact CB-CD1 3.94Å; P204-I231 HydrophobicContact CB-CG1 3.83Å; P204-I231 HydrophobicContact CG-CD1 3.91Å; P204-I231 HydrophobicContact CG-CG1 4.03Å; P204-V263 HydrophobicContact CG-CB 4.39Å; P204-V263 HydrophobicContact CG-CG1 3.75Å; P204-L266 HydrophobicContact CG-CD1 4.33Å; P204-A297 HydrophobicContact CB-CB 4.43Å
205V93.1Very high90.1Very high74 Ų7454.8 Ų54.845%0.44830%0.3SS..  trans-95.8112.8169179.80000108.3I203 D298 N299I203-V205 PolarHBondContact O-N 2.94Å; V205-D298 HydrophobicContact CB-CB 4.08Å; V205-D298 HydrophobicContact CG1-CB 3.97Å; V205-D298 WeakPolarHBondContact O-CB 3.31Å; V205-D298 PolarHBondContact O-N 3.11Å; V205-N299 HydrophobicContact CB-CB 4.41Å; V205-N299 HydrophobicContact CG2-CB 4.25Å; V205-N299 PolarHBondContact N-OD1 2.73Å
206L93.1Very high89.6Confident23 Ų2362.6 Ų62.612%0.1234%0.337CS..  trans-117.6113.7178.4-61.7170.2000108.5F210 L211 M228 H230 I231 V263 A297L206-F210 HydrophobicContact CD2-CE1 4.46Å; L206-L211 HydrophobicContact CD2-CD2 4.27Å; L206-M228 WeakPolarHBondContact CD1-O 3.43Å; L206-H230 VanDerWaalsContact CD1-O 3.24Å; L206-H230 WeakPolarHBondContact CD1-O 3.46Å; L206-I231 HydrophobicContact CD1-CG1 4.43Å; L206-V263 HydrophobicContact CD1-CG1 4.17Å; L206-A297 HydrophobicContact CD2-CB 4.28Å
207S91.5Very high89.1Confident36 Ų3666.6 Ų66.625%0.25237%0.37SS..  trans-113.3148.2177.769.60000111.3P209 F210 L211 D298S207-P209 VanDerWaalsContact C-CD 3.46Å; S207-P209 VanDerWaalsContact C-N 3.34Å; S207-F210 WeakPolarHBondContact O-CB 3.42Å; S207-F210 PolarHBondContact O-N 2.95Å; S207-F210 VanDerWaalsContact O-N 3.11Å; S207-F210 VanDerWaalsContact OG-CB 3.22Å; S207-F210 WeakPolarHBondContact OG-CB 3.35Å; S207-F210 PolarHBondContact OG-N 2.96Å; S207-L211 WeakPolarHBondContact O-CG 3.45Å; S207-L211 PolarHBondContact O-N 2.89Å; S207-D298 WeakPolarHBondContact CB-OD2 3.46Å; S207-D298 PolarHBondContact OG-OD2 2.89Å
208E91.8Very high88.6Confident93 Ų9365.4 Ų65.444%0.43537%0.368SS..Hα-helixtrans-53.3-45175.7-70-62.2164.200112.9F210 L211 N212 M228E208-F210 VanDerWaalsContact C-N 3.28Å; E208-F210 PolarHBondContact O-N 3.35Å; E208-L211 PolarHBondContact O-N 3.37Å; E208-N212 WeakPolarHBondContact O-CB 3.36Å; E208-N212 VanDerWaalsContact O-CG 3.3Å; E208-N212 PolarHBondContact O-N 2.86Å; E208-N212 PolarHBondContact O-ND2 3.49Å; E208-M228 HydrophobicContact CG-CE 3.42Å; E208-M228 VanDerWaalsContact CG-CE 3.42Å; E208-M228 VanDerWaalsContact OE1-CE 3.31Å; E208-M228 WeakPolarHBondContact OE1-CE 3.48Å
209P91.7Very high88.4Confident98 Ų9863.5 Ų63.564%0.63636%0.362SS*.Hα-helixtrans-61.2-38.8178.3-22.635.3000112.3S207 S213S207-P209 VanDerWaalsContact C-CD 3.46Å; S207-P209 VanDerWaalsContact C-N 3.34Å; P209-S213 WeakPolarHBondContact O-CB 3.34Å; P209-S213 PolarHBondContact O-N 3.37Å
210F91.8Very high88.1Confident32 Ų3265 Ų6514%0.1437%0.372CS..Hα-helixtrans-64.1-50.8176.4175.7-102.9000111.8L206 S207 E208 N212 S213 L214 A296 A297 D298L206-F210 HydrophobicContact CD2-CE1 4.46Å; S207-F210 WeakPolarHBondContact O-CB 3.42Å; S207-F210 PolarHBondContact O-N 2.95Å; S207-F210 VanDerWaalsContact O-N 3.11Å; S207-F210 VanDerWaalsContact OG-CB 3.22Å; S207-F210 WeakPolarHBondContact OG-CB 3.35Å; S207-F210 PolarHBondContact OG-N 2.96Å; E208-F210 VanDerWaalsContact C-N 3.28Å; E208-F210 PolarHBondContact O-N 3.35Å; F210-N212 VanDerWaalsContact C-N 3.29Å; F210-N212 PolarHBondContact O-N 2.91Å; F210-S213 WeakPolarHBondContact O-CB 3.5Å; F210-S213 PolarHBondContact O-N 2.88Å; F210-S213 VanDerWaalsContact O-N 3.08Å; F210-S213 PolarHBondContact O-OG 2.91Å; F210-L214 HydrophobicContact CD1-CD1 4.32Å; F210-L214 HydrophobicContact CE1-CD1 3.75Å; F210-L214 HydrophobicContact CE1-CG 4.33Å; F210-L214 HydrophobicContact CZ-CD1 4.09Å; F210-L214 HydrophobicContact CZ-CD2 4.25Å; F210-L214 HydrophobicContact CZ-CG 4.33Å; F210-L214 PolarHBondContact O-N 2.87Å; F210-L214 VanDerWaalsContact O-N 3.11Å; F210-A296 HydrophobicContact CE1-CB 4.3Å; F210-A296 HydrophobicContact CZ-CB 3.85Å; F210-A297 VanDerWaalsContact CE1-CA 3.45Å; F210-A297 VanDerWaalsContact CZ-CA 3.48Å; F210-D298 VanDerWaalsContact CB-OD1 3.3Å; F210-D298 WeakPolarHBondContact CB-OD1 3.43Å; F210-D298 WeakPolarHBondContact CB-OD2 3.31Å; F210-D298 WeakPolarHBondContact CD2-OD1 3.46Å; F210-D298 VanDerWaalsContact CG-OD1 3.31Å; F210-D298 WeakPolarHBondContact CG-OD1 3.4Å
211L91.4Very high88Confident1 Ų162.7 Ų62.71%0.00535%0.347CS..Hα-helixtrans-61.4-37.7179-64.7179.6000112.1L206 S207 E208 L214 K215 F226 D227 P232L206-L211 HydrophobicContact CD2-CD2 4.27Å; S207-L211 WeakPolarHBondContact O-CG 3.45Å; S207-L211 PolarHBondContact O-N 2.89Å; E208-L211 PolarHBondContact O-N 3.37Å; L211-L214 HydrophobicContact CD2-CD1 4.35Å; L211-L214 PolarHBondContact O-N 3.46Å; L211-K215 PolarHBondContact O-N 2.89Å; L211-F226 HydrophobicContact CB-CB 4.21Å; L211-F226 HydrophobicContact CD1-CB 4.2Å; L211-F226 HydrophobicContact CD2-CB 4.06Å; L211-F226 HydrophobicContact CG-CB 4.38Å; L211-D227 WeakPolarHBondContact CD1-O 3.45Å; L211-P232 HydrophobicContact CD2-CG 4.19Å
212N91Very high87.7Confident73 Ų7359.2 Ų59.239%0.3933%0.331SS..Hα-helixtrans-67.3-39.3174.1-71.7-44.9000111.8E208 F210 L214 K215 E216E208-N212 WeakPolarHBondContact O-CB 3.36Å; E208-N212 VanDerWaalsContact O-CG 3.3Å; E208-N212 PolarHBondContact O-N 2.86Å; E208-N212 PolarHBondContact O-ND2 3.49Å; F210-N212 VanDerWaalsContact C-N 3.29Å; F210-N212 PolarHBondContact O-N 2.91Å; N212-L214 PolarHBondContact O-N 2.87Å; N212-K215 PolarHBondContact O-N 2.82Å; N212-K215 VanDerWaalsContact O-N 3.1Å; N212-E216 PolarHBondContact O-N 3.22Å
213S90.4Very high87.4Confident54 Ų5465 Ų6538%0.37836%0.363SS..Hα-helixtrans-61.9-31.5176.378.50000112.9P209 F210 E216 A217P209-S213 WeakPolarHBondContact O-CB 3.34Å; P209-S213 PolarHBondContact O-N 3.37Å; F210-S213 WeakPolarHBondContact O-CB 3.5Å; F210-S213 PolarHBondContact O-N 2.88Å; F210-S213 VanDerWaalsContact O-N 3.08Å; F210-S213 PolarHBondContact O-OG 2.91Å; S213-E216 PolarHBondContact O-N 2.95Å; S213-A217 VanDerWaalsContact O-CB 3.24Å; S213-A217 WeakPolarHBondContact O-CB 3.36Å; S213-A217 PolarHBondContact O-N 3.29Å
214L88.1Confident87.3Confident40 Ų4060.1 Ų60.121%0.20934%0.338CS..Hα-helixtrans-65-40.9174.2-65.9176.6000111.7F210 L211 N212 E216 A217 D218 F226 P232 A296F210-L214 HydrophobicContact CD1-CD1 4.32Å; F210-L214 HydrophobicContact CE1-CD1 3.75Å; F210-L214 HydrophobicContact CE1-CG 4.33Å; F210-L214 HydrophobicContact CZ-CD1 4.09Å; F210-L214 HydrophobicContact CZ-CD2 4.25Å; F210-L214 HydrophobicContact CZ-CG 4.33Å; F210-L214 PolarHBondContact O-N 2.87Å; F210-L214 VanDerWaalsContact O-N 3.11Å; L211-L214 HydrophobicContact CD2-CD1 4.35Å; L211-L214 PolarHBondContact O-N 3.46Å; N212-L214 PolarHBondContact O-N 2.87Å; L214-E216 VanDerWaalsContact C-N 3.35Å; L214-A217 PolarHBondContact O-N 3.49Å; L214-D218 PolarHBondContact O-N 3.48Å; L214-F226 HydrophobicContact CB-CE2 4.18Å; L214-P232 HydrophobicContact CD1-CB 4.26Å; L214-P232 HydrophobicContact CD1-CG 3.62Å; L214-A296 HydrophobicContact CD1-CB 4.04Å; L214-A296 HydrophobicContact CD2-CB 4.09Å
215K87.6Confident87.1Confident53 Ų5366.3 Ų66.323%0.2337%0.366CS..Hα-helixtrans-68.9-32.9176.9-61-173.5-171-166.30112.9L211 N212 R224 F226L211-K215 PolarHBondContact O-N 2.89Å; N212-K215 PolarHBondContact O-N 2.82Å; N212-K215 VanDerWaalsContact O-N 3.1Å; K215-R224 WeakPolarHBondContact CE-O 3.4Å; K215-R224 PolarHBondContact NZ-O 3.1Å; K215-F226 HydrophobicContact CD-CD2 4.27Å; K215-F226 VanDerWaalsContact CE-CD2 3.47Å; K215-F226 HydrophobicContact CG-CD2 3.74Å; K215-F226 HydrophobicContact CG-CE2 3.69Å
216E86.1Confident87Confident163 Ų16363.9 Ų63.976%0.76235%0.349SS*.Hα-helixtrans-76.3-34.7177.4-70.3179.8-178.400112.2N212 S213 L214N212-E216 PolarHBondContact O-N 3.22Å; S213-E216 PolarHBondContact O-N 2.95Å; L214-E216 VanDerWaalsContact C-N 3.35Å
217A85.2Confident86.9Confident85 Ų8565.1 Ų65.170%0.70236%0.356SS*.Hα-helixtrans-70.5-33.4-177.900000113.1S213 L214S213-A217 VanDerWaalsContact O-CB 3.24Å; S213-A217 WeakPolarHBondContact O-CB 3.36Å; S213-A217 PolarHBondContact O-N 3.29Å; L214-A217 PolarHBondContact O-N 3.49Å
218D80.2Confident86.9Confident39 Ų3968 Ų6821%0.20937%0.367CS..  trans-126.7114.4-178.8-168.6-24.2000111.5L214 T220 E221L214-D218 PolarHBondContact O-N 3.48Å; D218-T220 PolarHBondContact O-N 3.42Å; D218-T220 VanDerWaalsContact O-N 3.15Å; D218-T220 WeakPolarHBondContact OD1-CB 3.29Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.27Å; D218-T220 PolarHBondContact OD1-N 3.26Å; D218-T220 PolarHBondContact OD1-OG1 2.87Å; D218-T220 PolarHBondContact OD2-OG1 3.35Å; D218-E221 HydrophobicContact CB-CB 4.16Å; D218-E221 HydrophobicContact CB-CG 3.64Å; D218-E221 PolarHBondContact O-N 3.41Å
219P77.9Confident86.8Confident77 Ų7766.9 Ų66.950%0.536%0.364SS..G310 helixtrans-55.9-28.7176-2534.3000114.4E221 Q222P219-E221 PolarHBondContact O-N 3.33Å; P219-Q222 WeakPolarHBondContact O-CG 3.47Å; P219-Q222 PolarHBondContact O-N 3.44Å
220T79.6Confident86.9Confident43 Ų4363.7 Ų63.726%0.26434%0.34SS..G310 helixtrans-72.6-19.4-179.669.20000112.7D218D218-T220 PolarHBondContact O-N 3.42Å; D218-T220 VanDerWaalsContact O-N 3.15Å; D218-T220 WeakPolarHBondContact OD1-CB 3.29Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.27Å; D218-T220 PolarHBondContact OD1-N 3.26Å; D218-T220 PolarHBondContact OD1-OG1 2.87Å; D218-T220 PolarHBondContact OD2-OG1 3.35Å
221E81.4Confident87Confident4 Ų462.1 Ų62.12%0.01933%0.333CS..G310 helixtrans-95.4-5-176.9-57.2-74.716000112.1D218 P219 N223 R224 F226 S234 Y255D218-E221 HydrophobicContact CB-CB 4.16Å; D218-E221 HydrophobicContact CB-CG 3.64Å; D218-E221 PolarHBondContact O-N 3.41Å; P219-E221 PolarHBondContact O-N 3.33Å; E221-N223 VanDerWaalsContact C-N 3.28Å; E221-N223 PolarHBondContact O-N 2.96Å; E221-R224 WeakPolarHBondContact O-CB 3.29Å; E221-R224 PolarHBondContact O-N 3.43Å; E221-R224 IonicContact OE1-NH1 3.27Å; E221-R224 WeakPolarHBondContact OE2-CD 3.42Å; E221-R224 IonicContact OE2-CZ 3.89Å; E221-R224 IonicContact OE2-NE 3.01Å; E221-R224 IonicContact OE2-NH1 2.72Å; E221-R224 PolarHBondContact OE2-NH1 2.86Å; E221-F226 HydrophobicContact CB-CZ 4.4Å; E221-F226 WeakPolarHBondContact OE2-CZ 3.49Å; E221-S234 WeakPolarHBondContact OE1-CB 3.31Å; E221-S234 PolarHBondContact OE1-OG 3.19Å; E221-Y255 PolarHBondContact OE1-OH 2.73Å
222Q78.6Confident87.2Confident119 Ų11962.2 Ų62.256%0.55633%0.334SS*.THydrogen-bonded Turntrans-57-36.5-174.8-74.6-179.610.600114P219 R224P219-Q222 WeakPolarHBondContact O-CG 3.47Å; P219-Q222 PolarHBondContact O-N 3.44Å; Q222-R224 VanDerWaalsContact C-N 3.33Å
223N83.7Confident87.5Confident138 Ų13858.7 Ų58.774%0.73832%0.315SS*.THydrogen-bonded Turntrans-84.5-5.4-177.7-70.4-33.7000113.6E221E221-N223 VanDerWaalsContact C-N 3.28Å; E221-N223 PolarHBondContact O-N 2.96Å
224R87.6Confident87.6Confident2 Ų257.2 Ų57.21%0.00831%0.305CS..  trans-78.3146.9-175.3-64.9-172.574.4-173.5-0.6113K215 E221 Q222 F226 I233 Y255 D258K215-R224 WeakPolarHBondContact CE-O 3.4Å; K215-R224 PolarHBondContact NZ-O 3.1Å; E221-R224 WeakPolarHBondContact O-CB 3.29Å; E221-R224 PolarHBondContact O-N 3.43Å; E221-R224 IonicContact OE1-NH1 3.27Å; E221-R224 WeakPolarHBondContact OE2-CD 3.42Å; E221-R224 IonicContact OE2-CZ 3.89Å; E221-R224 IonicContact OE2-NE 3.01Å; E221-R224 IonicContact OE2-NH1 2.72Å; E221-R224 PolarHBondContact OE2-NH1 2.86Å; Q222-R224 VanDerWaalsContact C-N 3.33Å; R224-F226 HydrophobicContact CB-CE1 4.07Å; R224-F226 HydrophobicContact CB-CE2 4.29Å; R224-F226 HydrophobicContact CB-CZ 3.91Å; R224-F226 PolarHBondContact O-N 2.99Å; R224-I233 PolarHBondContact NH1-O 3.29Å; R224-I233 PolarHBondContact NH2-O 3.39Å; R224-Y255 VanDerWaalsContact CZ-CE2 3.43Å; R224-Y255 VanDerWaalsContact CZ-CG 3.45Å; R224-Y255 VanDerWaalsContact NE-CD2 3.34Å; R224-D258 WeakPolarHBondContact CA-OD2 3.34Å; R224-D258 WeakPolarHBondContact CG-OD1 3.49Å; R224-D258 VanDerWaalsContact CZ-O 3.28Å; R224-D258 PolarHBondContact NE-O 3.42Å; R224-D258 VanDerWaalsContact NE-O 3.14Å; R224-D258 IonicContact NE-OD1 3.34Å; R224-D258 PolarHBondContact NE-OD1 3.19Å; R224-D258 PolarHBondContact NH2-O 3.43Å
225Q88.3Confident88Confident145 Ų14555.4 Ų55.468%0.67830%0.295SS*.  trans-100.379.2-179.9-63.1-178.226.100110D258 S259Q225-D258 PolarHBondContact N-OD2 3.06Å; Q225-S259 WeakPolarHBondContact O-CA 3.41Å; Q225-S259 VanDerWaalsContact O-CB 3.31Å; Q225-S259 WeakPolarHBondContact O-CB 3.35Å; Q225-S259 PolarHBondContact O-OG 2.73Å
226F90.9Very high88.2Confident23 Ų2354.7 Ų54.710%0.10130%0.297CS..  trans-71.9144.4168.6-56.3-48.7000111.3L211 L214 K215 E221 R224 P232L211-F226 HydrophobicContact CB-CB 4.21Å; L211-F226 HydrophobicContact CD1-CB 4.2Å; L211-F226 HydrophobicContact CD2-CB 4.06Å; L211-F226 HydrophobicContact CG-CB 4.38Å; L214-F226 HydrophobicContact CB-CE2 4.18Å; K215-F226 HydrophobicContact CD-CD2 4.27Å; K215-F226 VanDerWaalsContact CE-CD2 3.47Å; K215-F226 HydrophobicContact CG-CD2 3.74Å; K215-F226 HydrophobicContact CG-CE2 3.69Å; E221-F226 HydrophobicContact CB-CZ 4.4Å; E221-F226 WeakPolarHBondContact OE2-CZ 3.49Å; R224-F226 HydrophobicContact CB-CE1 4.07Å; R224-F226 HydrophobicContact CB-CE2 4.29Å; R224-F226 HydrophobicContact CB-CZ 3.91Å; R224-F226 PolarHBondContact O-N 2.99Å; F226-P232 HydrophobicContact CD1-CB 3.75Å; F226-P232 HydrophobicContact CE1-CB 3.62Å; F226-P232 HydrophobicContact CZ-CB 4.36Å
227D90.5Very high88.5Confident50 Ų5048.9 Ų48.927%0.26727%0.272SS..  trans-138168.8173.469.939.3000110.6L211 N229 H230L211-D227 WeakPolarHBondContact CD1-O 3.45Å; D227-N229 PolarHBondContact O-N 3.42Å; D227-N229 VanDerWaalsContact OD1-C 3.28Å; D227-N229 VanDerWaalsContact OD1-CA 3.29Å; D227-N229 WeakPolarHBondContact OD1-CA 3.27Å; D227-N229 WeakPolarHBondContact OD1-CB 3.26Å; D227-N229 PolarHBondContact OD1-N 3.43Å; D227-H230 IonicContact OD1-CE1 3.58Å; D227-H230 IonicContact OD1-CG 3.51Å; D227-H230 PolarHBondContact OD1-N 3.47Å; D227-H230 IonicContact OD1-ND1 2.66Å; D227-H230 PolarHBondContact OD1-ND1 3.38Å; D227-H230 IonicContact OD2-CE1 3.64Å; D227-H230 PolarHBondContact OD2-CE1 3.07Å; D227-H230 IonicContact OD2-CG 2.67Å; D227-H230 IonicContact OD2-ND1 2.76Å; D227-H230 PolarHBondContact OD2-ND1 2.93Å
228M90.2Very high88.7Confident96 Ų9647.6 Ų47.647%0.47325%0.253SS..THydrogen-bonded Turntrans-72.3-9.1-179.9-63.2-175.5177.100114.4L206 E208L206-M228 WeakPolarHBondContact CD1-O 3.43Å; E208-M228 HydrophobicContact CG-CE 3.42Å; E208-M228 VanDerWaalsContact CG-CE 3.42Å; E208-M228 VanDerWaalsContact OE1-CE 3.31Å; E208-M228 WeakPolarHBondContact OE1-CE 3.48Å
229N90.1Very high89Confident70 Ų7053.7 Ų53.737%0.37427%0.273SS..THydrogen-bonded Turntrans-102.8-0.9-175.8-62.2-34.3000112.3L156 D227 N262 V263L156-N229 HydrophobicContact CD1-CB 4.15Å; D227-N229 PolarHBondContact O-N 3.42Å; D227-N229 VanDerWaalsContact OD1-C 3.28Å; D227-N229 VanDerWaalsContact OD1-CA 3.29Å; D227-N229 WeakPolarHBondContact OD1-CA 3.27Å; D227-N229 WeakPolarHBondContact OD1-CB 3.26Å; D227-N229 PolarHBondContact OD1-N 3.43Å; N229-N262 WeakPolarHBondContact O-CA 3.5Å; N229-V263 VanDerWaalsContact O-CG2 3.29Å; N229-V263 WeakPolarHBondContact O-CG2 3.31Å; N229-V263 PolarHBondContact O-N 3.34Å
230H93.6Very high89.4Confident30 Ų3053 Ų5314%0.13926%0.264CS..EExtended strand (participates in β ladder)trans-128.6131.2179.1-64.183.7000111.3L206 D227 P232 S259 G260 F261 N262L206-H230 VanDerWaalsContact CD1-O 3.24Å; L206-H230 WeakPolarHBondContact CD1-O 3.46Å; D227-H230 IonicContact OD1-CE1 3.58Å; D227-H230 IonicContact OD1-CG 3.51Å; D227-H230 PolarHBondContact OD1-N 3.47Å; D227-H230 IonicContact OD1-ND1 2.66Å; D227-H230 PolarHBondContact OD1-ND1 3.38Å; D227-H230 IonicContact OD2-CE1 3.64Å; D227-H230 PolarHBondContact OD2-CE1 3.07Å; D227-H230 IonicContact OD2-CG 2.67Å; D227-H230 IonicContact OD2-ND1 2.76Å; D227-H230 PolarHBondContact OD2-ND1 2.93Å; H230-P232 VanDerWaalsContact O-CD 3.29Å; H230-P232 WeakPolarHBondContact O-CD 3.28Å; H230-S259 WeakPolarHBondContact CB-O 3.35Å; H230-G260 PolarHBondContact CD2-O 3.3Å; H230-F261 CarbonylContact C-O 3.58Å; H230-F261 WeakPolarHBondContact CA-O 3.38Å; H230-N262 VanDerWaalsContact CD2-CA 3.42Å; H230-N262 WeakPolarHBondContact CD2-CA 3.41Å; H230-N262 PolarHBondContact CD2-N 3.08Å
231I95.1Very high89.5Confident0 Ų053.2 Ų53.20%028%0.275CS..EExtended strand (participates in β ladder)trans-76.6117170.4-61.3161.6000107.7L196 W202 P204 L206 G260 F261 V263 L266 I295L196-I231 HydrophobicContact CD2-CD1 3.57Å; W202-I231 HydrophobicContact CH2-CD1 3.89Å; W202-I231 HydrophobicContact CZ3-CD1 3.78Å; P204-I231 HydrophobicContact CB-CD1 3.94Å; P204-I231 HydrophobicContact CB-CG1 3.83Å; P204-I231 HydrophobicContact CG-CD1 3.91Å; P204-I231 HydrophobicContact CG-CG1 4.03Å; L206-I231 HydrophobicContact CD1-CG1 4.43Å; I231-G260 CarbonylContact O-C 3.53Å; I231-G260 WeakPolarHBondContact O-CA 3.38Å; I231-F261 HydrophobicContact CB-CB 4.31Å; I231-F261 PolarHBondContact N-O 3.11Å; I231-F261 PolarHBondContact O-N 3.39Å; I231-V263 HydrophobicContact CD1-CG1 4.28Å; I231-V263 HydrophobicContact CG1-CG1 3.84Å; I231-L266 HydrophobicContact CD1-CD1 3.43Å; I231-L266 VanDerWaalsContact CD1-CD1 3.43Å; I231-I295 HydrophobicContact CG2-CB 3.96Å; I231-I295 HydrophobicContact CG2-CG2 4.3Å
232P95.7Very high89.1Confident2 Ų255.3 Ų55.31%0.01329%0.286CS..  trans-67141.1177.328-34.9000110.8L211 L214 F226 H230 I295 A296L211-P232 HydrophobicContact CD2-CG 4.19Å; L214-P232 HydrophobicContact CD1-CB 4.26Å; L214-P232 HydrophobicContact CD1-CG 3.62Å; F226-P232 HydrophobicContact CD1-CB 3.75Å; F226-P232 HydrophobicContact CE1-CB 3.62Å; F226-P232 HydrophobicContact CZ-CB 4.36Å; H230-P232 VanDerWaalsContact O-CD 3.29Å; H230-P232 WeakPolarHBondContact O-CD 3.28Å; P232-I295 VanDerWaalsContact O-CA 3.31Å; P232-I295 WeakPolarHBondContact O-CA 3.49Å; P232-A296 WeakPolarHBondContact CD-O 3.43Å; P232-A296 HydrophobicContact CG-CB 4.22Å; P232-A296 WeakPolarHBondContact CG-O 3.29Å; P232-A296 PolarHBondContact O-N 3.34Å
233I95.8Very high88.4Confident0 Ų057.8 Ų57.80%030%0.301CS..EExtended strand (participates in β ladder)trans-113.8130.3164.4-177.9173.8000107.8L104 F194 R224 Y255 F261 V276 V278 C293 Q294 I295L104-I233 HydrophobicContact CD1-CD1 4.21Å; L104-I233 HydrophobicContact CD2-CD1 4.36Å; F194-I233 HydrophobicContact CB-CD1 3.86Å; F194-I233 HydrophobicContact CD1-CD1 3.98Å; F194-I233 HydrophobicContact CD2-CD1 3.96Å; F194-I233 HydrophobicContact CG-CD1 3.64Å; R224-I233 PolarHBondContact NH1-O 3.29Å; R224-I233 PolarHBondContact NH2-O 3.39Å; I233-Y255 HydrophobicContact CG2-CD1 3.94Å; I233-Y255 HydrophobicContact CG2-CE1 4.32Å; I233-Y255 VanDerWaalsContact O-CE1 3.3Å; I233-Y255 WeakPolarHBondContact O-CE1 3.28Å; I233-F261 HydrophobicContact CB-CE2 4Å; I233-F261 HydrophobicContact CD1-CE2 4.15Å; I233-F261 HydrophobicContact CD1-CZ 4.42Å; I233-F261 HydrophobicContact CG2-CE2 4.24Å; I233-V276 HydrophobicContact CG2-CB 4.35Å; I233-V276 HydrophobicContact CG2-CG1 3.79Å; I233-V276 HydrophobicContact CG2-CG2 4.48Å; I233-V278 HydrophobicContact CD1-CG2 4.21Å; I233-C293 HydrophobicContact CD1-CB 4.39Å; I233-Q294 CarbonylContact C-O 3.52Å; I233-Q294 WeakPolarHBondContact CA-O 3.24Å; I233-I295 HydrophobicContact CB-CG2 4.12Å; I233-I295 HydrophobicContact CG1-CG2 4.36Å
234S94.2Very high87.7Confident23 Ų2356.1 Ų56.116%0.16130%0.296CS..EExtended strand (participates in β ladder)trans-126.3135.2176.9176.20000109.9E221 Y255 C293 Q294E221-S234 WeakPolarHBondContact OE1-CB 3.31Å; E221-S234 PolarHBondContact OE1-OG 3.19Å; S234-Y255 WeakPolarHBondContact CA-OH 3.46Å; S234-C293 CarbonylContact O-C 3.58Å; S234-C293 WeakPolarHBondContact O-CA 3.29Å; S234-Q294 PolarHBondContact N-O 2.95Å; S234-Q294 PolarHBondContact O-N 2.77Å
235C95.1Very high86.9Confident1 Ų162.9 Ų62.91%0.00733%0.328CS..EExtended strand (participates in β ladder)trans-116.5137.1179.4-61.70000109.9F253 Y255 V278 I291 R292 C293C235-F253 HydrophobicContact CB-CB 4.4Å; C235-F253 HydrophobicContact CB-CD1 3.93Å; C235-F253 HydrophobicContact CB-CD2 3.92Å; C235-F253 HydrophobicContact CB-CE1 4.16Å; C235-F253 HydrophobicContact CB-CE2 4.15Å; C235-F253 HydrophobicContact CB-CG 3.81Å; C235-F253 HydrophobicContact CB-CZ 4.27Å; C235-F253 WeakPolarHBondContact O-CD2 3.45Å; C235-F253 WeakPolarHBondContact O-CE2 3.35Å; C235-Y255 HydrophobicContact CB-CE1 4.44Å; C235-Y255 PolarHBondContact N-OH 3.36Å; C235-V278 HydrophobicContact CB-CG1 4.42Å; C235-I291 HydrophobicContact CB-CG2 4.4Å; C235-R292 CarbonylContact C-O 3.6Å; C235-R292 VanDerWaalsContact CA-O 3.25Å; C235-R292 WeakPolarHBondContact CA-O 3.5Å; C235-C293 HydrophobicContact CB-CB 4.16Å; C235-C293 WeakPolarHBondContact CB-SG 3.4Å; C235-C293 WeakPolarHBondContact SG-CB 3.34Å; C235-C293 CovalentContact SG-SG 2.04Å; C235-C293 PolarHBondContact SG-SG 3.36Å
236S92.2Very high85.9Confident38 Ų3857.8 Ų57.827%0.26631%0.307SS..EExtended strand (participates in β ladder)trans-136.2149.518057.40000110.6I291 R292S236-I291 WeakPolarHBondContact O-CA 3.21Å; S236-R292 PolarHBondContact N-O 3.41Å; S236-R292 PolarHBondContact O-N 2.69Å
237V91.5Very high85Confident41 Ų4164.5 Ų64.525%0.24834%0.336CS..EExtended strand (participates in β ladder)trans-83.1115.4172-179.60000108.1R239 M240 M252 F253 L289V237-R239 VanDerWaalsContact CG1-O 3.28Å; V237-R239 WeakPolarHBondContact CG1-O 3.48Å; V237-M240 HydrophobicContact CG1-CB 4.41Å; V237-M240 HydrophobicContact CG1-CE 4.3Å; V237-M252 HydrophobicContact CG2-CE 3.76Å; V237-M252 HydrophobicContact CG2-SD 3.49Å; V237-M252 WeakPolarHBondContact CG2-SD 3.26Å; V237-F253 HydrophobicContact CG2-CE2 4.12Å; V237-F253 HydrophobicContact CG2-CZ 3.95Å; V237-L289 HydrophobicContact CG1-CD2 4.13Å; V237-L289 HydrophobicContact CG2-CD2 4.47Å
238M90Very high84Confident59 Ų5970.3 Ų70.329%0.29137%0.367SS..EExtended strand (participates in β ladder)trans-81.7-38.2177.2-72-174.559.600112.8H290 R292 E310M238-H290 PolarHBondContact N-O 3.26Å; M238-R292 HydrophobicContact CG-CB 3.76Å; M238-R292 HydrophobicContact SD-CB 3.64Å; M238-R292 HydrophobicContact SD-CG 4.36Å; M238-R292 PolarHBondContact SD-NE 2.81Å; M238-R292 PolarHBondContact SD-NH2 2.97Å; M238-R292 VanDerWaalsContact SD-NH2 3.36Å; M238-E310 HydrophobicContact SD-CG 4.11Å
239R87.9Confident83Confident166 Ų16668.4 Ų68.463%0.62637%0.372SS*.EExtended strand (participates in β ladder)trans-149.1151.8-179.6-60.7-172.1-179.798.43.8109V237 H290V237-R239 VanDerWaalsContact CG1-O 3.28Å; V237-R239 WeakPolarHBondContact CG1-O 3.48Å; R239-H290 HydrophobicContact CB-CB 3.95Å; R239-H290 PolarHBondContact O-N 2.96Å
240M85.2Confident82.4Confident63 Ų6367.5 Ų67.531%0.3137%0.365SS..EExtended strand (participates in β ladder)trans-134.2145.2174.360.8-170.783.800109.1V237 D242 E245 E288 L289V237-M240 HydrophobicContact CG1-CB 4.41Å; V237-M240 HydrophobicContact CG1-CE 4.3Å; M240-D242 WeakPolarHBondContact CG-O 3.48Å; M240-E245 HydrophobicContact CE-CG 4.11Å; M240-E245 HydrophobicContact SD-CB 4.39Å; M240-E245 HydrophobicContact SD-CG 3.88Å; M240-E288 WeakPolarHBondContact CA-O 3.43Å; M240-L289 HydrophobicContact CB-CD2 4.15Å
241G81.1Confident81.9Confident48 Ų4869.6 Ų69.650%0.49538%0.375SS..SBendtrans-77.5-22.2176.200000113.3E288G241-E288 PolarHBondContact N-O 3.12Å
242D73.6Confident81.7Confident47 Ų4770.1 Ų70.125%0.25138%0.378SS..SBendtrans-93160.8-177.9-57.7-54.1000113.5M240 V244 F286 S287M240-D242 WeakPolarHBondContact CG-O 3.48Å; D242-V244 VanDerWaalsContact C-N 3.29Å; D242-F286 VanDerWaalsContact OD2-C 3.3Å; D242-F286 WeakPolarHBondContact OD2-CA 3.25Å; D242-F286 WeakPolarHBondContact OD2-CB 3.5Å; D242-S287 WeakPolarHBondContact OD1-CB 3.32Å; D242-S287 PolarHBondContact OD1-OG 3.13Å; D242-S287 PolarHBondContact OD2-N 2.98Å; D242-S287 PolarHBondContact OD2-OG 3.39Å
243I63.5Low81.7Confident172 Ų17270.6 Ų70.688%0.88238%0.379SS*.SBendtrans-80.2-16.3173-52.5171.5000111E245I243-E245 PolarHBondContact O-N 2.91Å
244V69.2Low81.6Confident102 Ų10272.4 Ų72.462%0.61839%0.389SS*.  trans-84.1102.2-178.1-175.90000108.9D242 F286D242-V244 VanDerWaalsContact C-N 3.29Å; V244-F286 WeakPolarHBondContact O-CE1 3.49Å
245E70.6Confident81.7Confident145 Ų14571.7 Ų71.768%0.67838%0.383SS*.PPolyproline II helixtrans-72.2146.2170.1-66.8177.1175.600110.2M240 I243M240-E245 HydrophobicContact CE-CG 4.11Å; M240-E245 HydrophobicContact SD-CB 4.39Å; M240-E245 HydrophobicContact SD-CG 3.88Å; I243-E245 PolarHBondContact O-N 2.91Å
246P68.5Low81.7Confident37 Ų3773.2 Ų73.224%0.2439%0.39CS..PPolyproline II helixtrans-51.7146.9165.2-21.231.6000110M252 F286P246-M252 HydrophobicContact CG-SD 4.33Å; P246-F286 HydrophobicContact CG-CE1 4.48Å; P246-F286 HydrophobicContact CG-CZ 4.09Å
247K71.4Confident81.8Confident165 Ų16573 Ų7372%0.71739%0.387SS*.PPolyproline II helixtrans-63.3144.6175.5-65.5177.6-179.11750109.4G249 E250K247-G249 PolarHBondContact O-N 3.22Å; K247-G249 VanDerWaalsContact O-N 3.14Å; K247-E250 HydrophobicContact CB-CB 4.23Å; K247-E250 PolarHBondContact N-OE2 2.95Å; K247-E250 VanDerWaalsContact N-OE2 3.14Å; K247-E250 WeakPolarHBondContact O-CB 3.12Å; K247-E250 PolarHBondContact O-N 3.05Å
248D70.1Confident81.9Confident172 Ų17273.4 Ų73.492%0.9239%0.388SS*.THydrogen-bonded Turntrans-50.8122.9174.7-74.1-29.4000110.8E250D248-E250 VanDerWaalsContact C-N 3.33Å
249G69.1Low82Confident55 Ų5571.6 Ų71.657%0.56738%0.381SS*.THydrogen-bonded Turntrans78.66.5-178.300000115.6K247 Q251K247-G249 PolarHBondContact O-N 3.22Å; K247-G249 VanDerWaalsContact O-N 3.14Å; G249-Q251 PolarHBondContact O-N 3.15Å
250E78.3Confident82.3Confident51 Ų5163.7 Ų63.724%0.23835%0.352CS..  trans-68.1119.3172.2-173.2173.2175.800110.6K247 D248 M252 R285K247-E250 HydrophobicContact CB-CB 4.23Å; K247-E250 PolarHBondContact N-OE2 2.95Å; K247-E250 VanDerWaalsContact N-OE2 3.14Å; K247-E250 WeakPolarHBondContact O-CB 3.12Å; K247-E250 PolarHBondContact O-N 3.05Å; D248-E250 VanDerWaalsContact C-N 3.33Å; E250-M252 PolarHBondContact O-N 3.05Å; E250-R285 IonicContact OE1-CZ 3.23Å; E250-R285 IonicContact OE1-NH1 3.5Å; E250-R285 PolarHBondContact OE1-NH1 3.23Å; E250-R285 IonicContact OE1-NH2 3.47Å; E250-R285 PolarHBondContact OE1-NH2 2.97Å; E250-R285 IonicContact OE2-NH1 2.86Å
251Q83Confident82.7Confident74 Ų7460.7 Ų60.735%0.34634%0.337SS..  trans-74.397.6178-172.8172.68.900110.5G249 F253 N254G249-Q251 PolarHBondContact O-N 3.15Å; Q251-F253 WeakPolarHBondContact CG-O 3.23Å; Q251-F253 PolarHBondContact NE2-O 2.87Å; Q251-N254 PolarHBondContact NE2-OD1 2.91Å
252M90.5Very high83.2Confident11 Ų1159.9 Ų59.95%0.05432%0.321CS..  trans-82.8-24.4179.4-173.8169.5172.900113.2V237 P246 E250 I280 A281 F286 L289V237-M252 HydrophobicContact CG2-CE 3.76Å; V237-M252 HydrophobicContact CG2-SD 3.49Å; V237-M252 WeakPolarHBondContact CG2-SD 3.26Å; P246-M252 HydrophobicContact CG-SD 4.33Å; E250-M252 PolarHBondContact O-N 3.05Å; M252-I280 HydrophobicContact CE-CG2 4.01Å; M252-I280 HydrophobicContact CG-CG2 4.48Å; M252-A281 WeakPolarHBondContact O-CB 3.13Å; M252-A281 PolarHBondContact O-N 3.4Å; M252-F286 HydrophobicContact CE-CD2 4.33Å; M252-F286 HydrophobicContact CE-CE2 4.19Å; M252-L289 HydrophobicContact CE-CD1 3.21Å; M252-L289 HydrophobicContact CE-CD2 3.92Å; M252-L289 HydrophobicContact CE-CG 4.13Å
253F94.3Very high83.9Confident12 Ų1258.1 Ų58.15%0.05331%0.312CS..EExtended strand (participates in β ladder)trans-119.8126-177.9-56.9-73.1000110.7C235 V237 Q251 Y255 V278 Q279 I280 I291C235-F253 HydrophobicContact CB-CB 4.4Å; C235-F253 HydrophobicContact CB-CD1 3.93Å; C235-F253 HydrophobicContact CB-CD2 3.92Å; C235-F253 HydrophobicContact CB-CE1 4.16Å; C235-F253 HydrophobicContact CB-CE2 4.15Å; C235-F253 HydrophobicContact CB-CG 3.81Å; C235-F253 HydrophobicContact CB-CZ 4.27Å; C235-F253 WeakPolarHBondContact O-CD2 3.45Å; C235-F253 WeakPolarHBondContact O-CE2 3.35Å; V237-F253 HydrophobicContact CG2-CE2 4.12Å; V237-F253 HydrophobicContact CG2-CZ 3.95Å; Q251-F253 WeakPolarHBondContact CG-O 3.23Å; Q251-F253 PolarHBondContact NE2-O 2.87Å; F253-Y255 HydrophobicContact CB-CE1 4.46Å; F253-Y255 HydrophobicContact CB-CE2 4.09Å; F253-V278 HydrophobicContact CB-CG1 4.28Å; F253-V278 HydrophobicContact CD1-CG1 3.92Å; F253-V278 HydrophobicContact CG-CG1 4.48Å; F253-Q279 WeakPolarHBondContact CA-O 3.42Å; F253-I280 HydrophobicContact CD1-CG1 4.33Å; F253-I280 HydrophobicContact CE1-CG1 4.17Å; F253-I280 HydrophobicContact CE1-CG2 4.15Å; F253-I291 HydrophobicContact CE1-CD1 4.09Å; F253-I291 HydrophobicContact CE1-CG1 4.39Å; F253-I291 HydrophobicContact CE1-CG2 3.85Å; F253-I291 HydrophobicContact CZ-CD1 4.28Å; F253-I291 HydrophobicContact CZ-CG1 4.14Å; F253-I291 HydrophobicContact CZ-CG2 3.77Å
254N94.8Very high84.9Confident39 Ų3950.7 Ų50.721%0.20928%0.275CS..EExtended strand (participates in β ladder)trans-110.7139.4170.8-56.7-47.7000109.3Q251 F256 V278 Q279Q251-N254 PolarHBondContact NE2-OD1 2.91Å; N254-F256 HydrophobicContact CB-CE2 3.81Å; N254-F256 HydrophobicContact CB-CZ 3.72Å; N254-V278 CarbonylContact O-C 3.5Å; N254-V278 WeakPolarHBondContact O-CA 3.4Å; N254-Q279 HydrophobicContact CB-CB 4.22Å; N254-Q279 PolarHBondContact N-O 3.41Å; N254-Q279 PolarHBondContact ND2-OE1 2.82Å; N254-Q279 PolarHBondContact O-N 2.8Å
255Y95.5Very high85.6Confident7 Ų746.2 Ų46.23%0.02725%0.247CC..EExtended strand (participates in β ladder)trans-116.4138.3-173.6-52.7-92000110.3E221 R224 I233 S234 C235 F253 P257 D258 F277 V278E221-Y255 PolarHBondContact OE1-OH 2.73Å; R224-Y255 VanDerWaalsContact CZ-CE2 3.43Å; R224-Y255 VanDerWaalsContact CZ-CG 3.45Å; R224-Y255 VanDerWaalsContact NE-CD2 3.34Å; I233-Y255 HydrophobicContact CG2-CD1 3.94Å; I233-Y255 HydrophobicContact CG2-CE1 4.32Å; I233-Y255 VanDerWaalsContact O-CE1 3.3Å; I233-Y255 WeakPolarHBondContact O-CE1 3.28Å; S234-Y255 WeakPolarHBondContact CA-OH 3.46Å; C235-Y255 HydrophobicContact CB-CE1 4.44Å; C235-Y255 PolarHBondContact N-OH 3.36Å; F253-Y255 HydrophobicContact CB-CE1 4.46Å; F253-Y255 HydrophobicContact CB-CE2 4.09Å; Y255-P257 CarbonylContact C-O 3.59Å; Y255-P257 CarbonylContact O-C 3.5Å; Y255-D258 WeakPolarHBondContact O-CA 3.46Å; Y255-D258 PolarHBondContact O-N 3.45Å; Y255-F277 CarbonylContact C-O 3.25Å; Y255-F277 WeakPolarHBondContact CA-O 3.46Å; Y255-V278 HydrophobicContact CD1-CG1 4.5Å; Y255-V278 HydrophobicContact CD1-CG2 3.78Å; Y255-V278 HydrophobicContact CE1-CG1 4.28Å; Y255-V278 HydrophobicContact CE1-CG2 3.96Å
256F95.4Very high86.2Confident34 Ų3441.1 Ų41.115%0.14922%0.224CC..EExtended strand (participates in β ladder)trans-136107.3179.2-50.5-79.8000110.6L173 N176 N254 V276 F277 Q279L173-F256 WeakPolarHBondContact CD2-O 3.39Å; L173-F256 WeakPolarHBondContact O-CB 3.47Å; N176-F256 HydrophobicContact CB-CE1 4.47Å; N176-F256 HydrophobicContact CB-CE2 4.15Å; N176-F256 HydrophobicContact CB-CZ 3.95Å; N176-F256 WeakPolarHBondContact ND2-CE1 3.29Å; N176-F256 WeakPolarHBondContact ND2-CZ 3.42Å; N254-F256 HydrophobicContact CB-CE2 3.81Å; N254-F256 HydrophobicContact CB-CZ 3.72Å; F256-V276 CarbonylContact O-C 3.57Å; F256-V276 WeakPolarHBondContact O-CA 3.35Å; F256-F277 HydrophobicContact CB-CB 4.28Å; F256-F277 HydrophobicContact CD2-CB 4.22Å; F256-F277 PolarHBondContact N-O 2.87Å; F256-F277 PolarHBondContact O-N 3.22Å; F256-Q279 HydrophobicContact CE2-CB 3.84Å
257P94.3Very high86.4Confident33 Ų3344.1 Ų44.121%0.21423%0.232CC..SBendcis-64.4153.6-3.7-2032.4000114.2W172 Y255 S259 G260W172-P257 HydrophobicContact CB-CG 4.29Å; Y255-P257 CarbonylContact C-O 3.59Å; Y255-P257 CarbonylContact O-C 3.5Å; P257-S259 VanDerWaalsContact C-N 3.28Å; P257-S259 PolarHBondContact O-N 3.26Å; P257-G260 PolarHBondContact O-N 2.87Å
258D93Very high86.1Confident49 Ų4945.8 Ų45.826%0.26224%0.242SC..THydrogen-bonded Turntrans-64.4-31.7178.9-176.957.5000112.8R224 Q225 Y255 G260R224-D258 WeakPolarHBondContact CA-OD2 3.34Å; R224-D258 WeakPolarHBondContact CG-OD1 3.49Å; R224-D258 VanDerWaalsContact CZ-O 3.28Å; R224-D258 PolarHBondContact NE-O 3.42Å; R224-D258 VanDerWaalsContact NE-O 3.14Å; R224-D258 IonicContact NE-OD1 3.34Å; R224-D258 PolarHBondContact NE-OD1 3.19Å; R224-D258 PolarHBondContact NH2-O 3.43Å; Q225-D258 PolarHBondContact N-OD2 3.06Å; Y255-D258 WeakPolarHBondContact O-CA 3.46Å; Y255-D258 PolarHBondContact O-N 3.45Å; D258-G260 VanDerWaalsContact C-N 3.31Å; D258-G260 PolarHBondContact O-N 2.65Å
259S92.3Very high85.6Confident21 Ų2141.4 Ų41.415%0.14722%0.216CC..THydrogen-bonded Turntrans-74.7-18-179.6-50.40000113.8Q225 H230 P257Q225-S259 WeakPolarHBondContact O-CA 3.41Å; Q225-S259 VanDerWaalsContact O-CB 3.31Å; Q225-S259 WeakPolarHBondContact O-CB 3.35Å; Q225-S259 PolarHBondContact O-OG 2.73Å; H230-S259 WeakPolarHBondContact CB-O 3.35Å; P257-S259 VanDerWaalsContact C-N 3.28Å; P257-S259 PolarHBondContact O-N 3.26Å
260G94.8Very high85.4Confident1 Ų140 Ų401%0.0120%0.198CC..  trans102-148-178.200000114.2H230 I231 P257 D258 V276H230-G260 PolarHBondContact CD2-O 3.3Å; I231-G260 CarbonylContact O-C 3.53Å; I231-G260 WeakPolarHBondContact O-CA 3.38Å; P257-G260 PolarHBondContact O-N 2.87Å; D258-G260 VanDerWaalsContact C-N 3.31Å; D258-G260 PolarHBondContact O-N 2.65Å; G260-V276 VanDerWaalsContact C-CG2 3.42Å; G260-V276 WeakPolarHBondContact O-CG2 3.44Å
261F94.6Very high85.4Confident0 Ų043.9 Ų43.90%022%0.217CC..EExtended strand (participates in β ladder)trans-84.8119.8-173.9-62.8-83000112L104 F194 L196 H230 I231 I233 V263 P274 V276 I295L104-F261 HydrophobicContact CD1-CE2 3.88Å; L104-F261 HydrophobicContact CD1-CZ 3.71Å; F194-F261 HydrophobicContact CB-CZ 3.86Å; F194-F261 WeakPolarHBondContact O-CE1 2.8Å; L196-F261 HydrophobicContact CB-CD1 3.71Å; L196-F261 HydrophobicContact CB-CD2 4.35Å; L196-F261 HydrophobicContact CB-CE1 3.82Å; L196-F261 HydrophobicContact CB-CE2 4.44Å; L196-F261 HydrophobicContact CB-CG 3.99Å; L196-F261 HydrophobicContact CB-CZ 4.19Å; L196-F261 HydrophobicContact CD2-CB 4.1Å; L196-F261 HydrophobicContact CD2-CD2 4.27Å; L196-F261 HydrophobicContact CD2-CG 4.1Å; H230-F261 CarbonylContact C-O 3.58Å; H230-F261 WeakPolarHBondContact CA-O 3.38Å; I231-F261 HydrophobicContact CB-CB 4.31Å; I231-F261 PolarHBondContact N-O 3.11Å; I231-F261 PolarHBondContact O-N 3.39Å; I233-F261 HydrophobicContact CB-CE2 4Å; I233-F261 HydrophobicContact CD1-CE2 4.15Å; I233-F261 HydrophobicContact CD1-CZ 4.42Å; I233-F261 HydrophobicContact CG2-CE2 4.24Å; F261-V263 PolarHBondContact O-N 2.94Å; F261-P274 HydrophobicContact CB-CB 4.34Å; F261-P274 HydrophobicContact CB-CG 4.23Å; F261-P274 HydrophobicContact CD1-CB 4.1Å; F261-P274 HydrophobicContact CD1-CG 4.15Å; F261-V276 HydrophobicContact CD1-CB 4.4Å; F261-V276 HydrophobicContact CD1-CG2 3.62Å; F261-V276 HydrophobicContact CD2-CG2 4.06Å; F261-V276 HydrophobicContact CE1-CB 3.97Å; F261-V276 HydrophobicContact CE1-CG2 3.69Å; F261-V276 HydrophobicContact CE2-CB 4.47Å; F261-V276 HydrophobicContact CE2-CG2 4.13Å; F261-V276 HydrophobicContact CG-CG2 3.8Å; F261-V276 HydrophobicContact CZ-CB 4.01Å; F261-V276 HydrophobicContact CZ-CG2 3.95Å; F261-I295 HydrophobicContact CD2-CG2 3.99Å; F261-I295 HydrophobicContact CE2-CG2 3.66Å
262N90.7Very high85.6Confident31 Ų3142 Ų4217%0.16621%0.209CC..EExtended strand (participates in β ladder)trans-65.3119.2177.9-174.6-30.4000111.6N229 H230 T264 F265N229-N262 WeakPolarHBondContact O-CA 3.5Å; H230-N262 VanDerWaalsContact CD2-CA 3.42Å; H230-N262 WeakPolarHBondContact CD2-CA 3.41Å; H230-N262 PolarHBondContact CD2-N 3.08Å; N262-T264 PolarHBondContact O-N 2.93Å; N262-T264 WeakPolarHBondContact OD1-CB 3.29Å; N262-T264 PolarHBondContact OD1-N 3.18Å; N262-T264 PolarHBondContact OD1-OG1 3.33Å; N262-F265 HydrophobicContact CB-CD2 3.9Å; N262-F265 HydrophobicContact CB-CE2 4.25Å; N262-F265 PolarHBondContact O-N 3.39Å
263V88.6Confident85.6Confident9 Ų943 Ų436%0.05522%0.217CC..G310 helixtrans-63.2-22.9-176.8-59.80000113.1P204 L206 N229 I231 F261 F265 L266 Y267P204-V263 HydrophobicContact CG-CB 4.39Å; P204-V263 HydrophobicContact CG-CG1 3.75Å; L206-V263 HydrophobicContact CD1-CG1 4.17Å; N229-V263 VanDerWaalsContact O-CG2 3.29Å; N229-V263 WeakPolarHBondContact O-CG2 3.31Å; N229-V263 PolarHBondContact O-N 3.34Å; I231-V263 HydrophobicContact CD1-CG1 4.28Å; I231-V263 HydrophobicContact CG1-CG1 3.84Å; F261-V263 PolarHBondContact O-N 2.94Å; V263-F265 PolarHBondContact O-N 3.29Å; V263-F265 VanDerWaalsContact O-N 3.16Å; V263-L266 WeakPolarHBondContact O-CB 3.21Å; V263-L266 PolarHBondContact O-N 3.31Å; V263-Y267 HydrophobicContact CG2-CE2 4.26Å; V263-Y267 WeakPolarHBondContact O-CD2 3.31Å; V263-Y267 VanDerWaalsContact O-CE2 3.31Å; V263-Y267 WeakPolarHBondContact O-CE2 3.35Å
264T83.6Confident85.5Confident16 Ų1642.5 Ų42.510%0.09822%0.215CC..G310 helixtrans-57.5-32.6179.1-50.10000111.5C154 N262 L266C154-T264 HydrophobicContact CB-CG2 4.33Å; N262-T264 PolarHBondContact O-N 2.93Å; N262-T264 WeakPolarHBondContact OD1-CB 3.29Å; N262-T264 PolarHBondContact OD1-N 3.18Å; N262-T264 PolarHBondContact OD1-OG1 3.33Å; T264-L266 VanDerWaalsContact C-N 3.29Å; T264-L266 PolarHBondContact O-N 2.76Å
265F83.9Confident85.6Confident9 Ų940.8 Ų40.84%0.03921%0.205CC..G310 helixtrans-77.5-10.4179.1-69.9-91.9000113.6C166 F168 W172 N262 V263 S270 P274C166-F265 HydrophobicContact CB-CD1 4.48Å; C166-F265 HydrophobicContact CB-CE1 3.94Å; C166-F265 HydrophobicContact CB-CZ 4.32Å; F168-F265 HydrophobicContact CB-CE1 3.76Å; F168-F265 HydrophobicContact CB-CZ 4.2Å; F168-F265 HydrophobicContact CD2-CD1 4.17Å; F168-F265 AromaticContact CD2-CE1 3.84Å; F168-F265 HydrophobicContact CD2-CE1 3.84Å; F168-F265 HydrophobicContact CD2-CE2 4.22Å; F168-F265 AromaticContact CD2-CZ 3.88Å; F168-F265 HydrophobicContact CD2-CZ 3.88Å; F168-F265 HydrophobicContact CG-CE1 4.31Å; F168-F265 HydrophobicContact CG-CZ 4.48Å; W172-F265 HydrophobicContact CH2-CE2 4.23Å; W172-F265 AromaticContact CH2-CZ 3.92Å; W172-F265 HydrophobicContact CH2-CZ 3.92Å; W172-F265 AromaticContact CZ3-CE2 3.69Å; W172-F265 HydrophobicContact CZ3-CE2 3.69Å; W172-F265 AromaticContact CZ3-CZ 3.52Å; W172-F265 HydrophobicContact CZ3-CZ 3.52Å; N262-F265 HydrophobicContact CB-CD2 3.9Å; N262-F265 HydrophobicContact CB-CE2 4.25Å; N262-F265 PolarHBondContact O-N 3.39Å; V263-F265 PolarHBondContact O-N 3.29Å; V263-F265 VanDerWaalsContact O-N 3.16Å; F265-S270 WeakPolarHBondContact O-CB 3.31Å; F265-S270 PolarHBondContact O-OG 2.78Å; F265-P274 HydrophobicContact CB-CB 3.83Å; F265-P274 HydrophobicContact CB-CG 3.9Å; F265-P274 HydrophobicContact CG-CB 4.27Å
266L82.7Confident85.6Confident38 Ų3840.4 Ų40.420%0.19920%0.204CC..G310 helixtrans-83.5-18.7176.2-59.7-178.7000112.9L196 V199 W202 P204 I231 V263 T264 P274L196-L266 HydrophobicContact CD2-CD1 4.11Å; L196-L266 HydrophobicContact CD2-CD2 3.92Å; L196-L266 HydrophobicContact CG-CD2 4.1Å; V199-L266 HydrophobicContact CG1-CD2 4.23Å; V199-L266 HydrophobicContact CG2-CB 4.32Å; V199-L266 HydrophobicContact CG2-CD1 4.36Å; V199-L266 HydrophobicContact CG2-CD2 4.18Å; W202-L266 HydrophobicContact CZ3-CD1 4.42Å; P204-L266 HydrophobicContact CG-CD1 4.33Å; I231-L266 HydrophobicContact CD1-CD1 3.43Å; I231-L266 VanDerWaalsContact CD1-CD1 3.43Å; V263-L266 WeakPolarHBondContact O-CB 3.21Å; V263-L266 PolarHBondContact O-N 3.31Å; T264-L266 VanDerWaalsContact C-N 3.29Å; T264-L266 PolarHBondContact O-N 2.76Å; L266-P274 HydrophobicContact CD2-CG 4.06Å
267Y73.6Confident85.7Confident100 Ų10038.9 Ų38.939%0.39220%0.197SC..SBendtrans-80.2160.1177.7-55.1-61.8000111.3V263 H269 S270V263-Y267 HydrophobicContact CG2-CE2 4.26Å; V263-Y267 WeakPolarHBondContact O-CD2 3.31Å; V263-Y267 VanDerWaalsContact O-CE2 3.31Å; V263-Y267 WeakPolarHBondContact O-CE2 3.35Å; Y267-H269 PolarHBondContact O-N 2.96Å; Y267-S270 PolarHBondContact O-N 3.15Å
268E64.3Low85.9Confident200 Ų20037.3 Ų37.394%0.93519%0.187SC*.THydrogen-bonded Turntrans-55.52.5-177-67.6179170.400115.7
269H59.9Low86Confident79 Ų7935.6 Ų35.637%0.36618%0.177SC..THydrogen-bonded Turntrans-93.12.3178.8-57.1-50.3000113.9I165 C166 Y267I165-H269 CarbonylContact C-O 3.53Å; I165-H269 WeakPolarHBondContact CA-O 3.47Å; C166-H269 PolarHBondContact N-O 3.17Å; Y267-H269 PolarHBondContact O-N 2.96Å
270S66Low86.2Confident27 Ų2734.6 Ų34.619%0.18917%0.17CC..  trans-124.2135.8179.11060000111.9F265 Y267 L272F265-S270 WeakPolarHBondContact O-CB 3.31Å; F265-S270 PolarHBondContact O-OG 2.78Å; Y267-S270 PolarHBondContact O-N 3.15Å; S270-L272 PolarHBondContact OG-O 2.71Å
271M77.2Confident86.1Confident131 Ų13135.2 Ų35.265%0.64518%0.176SC*.SBendtrans-88-21.2174-76.3-168.1-77.800112.5L151 I165L151-M271 HydrophobicContact CD2-CE 4.04Å; I165-M271 HydrophobicContact CD1-CE 3.84Å; I165-M271 HydrophobicContact CD1-CG 4.43Å; I165-M271 HydrophobicContact CD1-SD 4.34Å; I165-M271 HydrophobicContact CG2-CB 4.45Å; I165-M271 HydrophobicContact CG2-CE 3.89Å; I165-M271 HydrophobicContact CG2-CG 4Å
272L87.3Confident85.9Confident35 Ų3539.6 Ų39.618%0.18320%0.196CC..SBendtrans-120.6134.7-173.3-63.9178.7000110.3V143 Y144 Q147 S270V143-L272 HydrophobicContact CG1-CD1 4.27Å; V143-L272 HydrophobicContact CG1-CD2 3.72Å; Y144-L272 HydrophobicContact CD1-CB 4.32Å; Y144-L272 HydrophobicContact CD1-CD1 3.84Å; Y144-L272 HydrophobicContact CD2-CD1 4.48Å; Y144-L272 HydrophobicContact CE1-CB 3.68Å; Y144-L272 HydrophobicContact CE1-CD1 4.02Å; Y144-L272 HydrophobicContact CE1-CG 4.42Å; Y144-L272 HydrophobicContact CG-CD1 4.09Å; Q147-L272 HydrophobicContact CG-CD1 3.74Å; S270-L272 PolarHBondContact OG-O 2.71Å
273P90.7Very high85.9Confident33 Ų3338.1 Ų38.121%0.21419%0.188CC..  trans-66.4149.7-179.524.2-30000111.6Y144 V195 L196Y144-P273 WeakPolarHBondContact CE1-O 3.4Å; Y144-P273 VanDerWaalsContact OH-CD 3.27Å; Y144-P273 WeakPolarHBondContact OH-CD 3.31Å; Y144-P273 VanDerWaalsContact OH-CG 3.31Å; Y144-P273 WeakPolarHBondContact OH-CG 3.41Å; Y144-P273 PolarHBondContact OH-O 3.24Å; V195-P273 HydrophobicContact CG1-CB 3.8Å; V195-P273 HydrophobicContact CG1-CG 3.55Å; L196-P273 WeakPolarHBondContact O-CB 3.41Å
274P92.8Very high85.8Confident1 Ų141.5 Ų41.51%0.00620%0.203CC..  trans-68.2153.9175.728.3-31.4000111.3L196 F261 F265 L266L196-P274 HydrophobicContact CB-CG 4.19Å; L196-P274 PolarHBondContact N-O 2.72Å; F261-P274 HydrophobicContact CB-CB 4.34Å; F261-P274 HydrophobicContact CB-CG 4.23Å; F261-P274 HydrophobicContact CD1-CB 4.1Å; F261-P274 HydrophobicContact CD1-CG 4.15Å; F265-P274 HydrophobicContact CB-CB 3.83Å; F265-P274 HydrophobicContact CB-CG 3.9Å; F265-P274 HydrophobicContact CG-CB 4.27Å; L266-P274 HydrophobicContact CD2-CG 4.06Å
275L95.6Very high86Confident2 Ų245.5 Ų45.51%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-127.2146.1-172.3-59.5-179.7000111.2Y140 L141 Y144 F168 L173 L193 F194 V195Y140-L275 HydrophobicContact CE1-CD2 4.05Å; L141-L275 HydrophobicContact CD2-CD1 3.51Å; Y144-L275 HydrophobicContact CD1-CD1 3.76Å; Y144-L275 HydrophobicContact CD1-CG 4.49Å; Y144-L275 HydrophobicContact CD2-CD1 4.06Å; Y144-L275 HydrophobicContact CE1-CD1 3.49Å; Y144-L275 VanDerWaalsContact CE1-CD1 3.49Å; Y144-L275 HydrophobicContact CE1-CD2 4.4Å; Y144-L275 HydrophobicContact CE1-CG 3.78Å; Y144-L275 HydrophobicContact CE2-CD1 3.84Å; Y144-L275 HydrophobicContact CE2-CD2 4.4Å; Y144-L275 HydrophobicContact CE2-CG 4.45Å; Y144-L275 HydrophobicContact CG-CD1 4.03Å; Y144-L275 WeakPolarHBondContact OH-CD2 3.46Å; F168-L275 HydrophobicContact CD1-CD1 4.48Å; F168-L275 HydrophobicContact CE1-CB 4.17Å; F168-L275 HydrophobicContact CE1-CD1 4.03Å; F168-L275 HydrophobicContact CE1-CG 4.34Å; F168-L275 HydrophobicContact CE2-CB 4.28Å; F168-L275 HydrophobicContact CZ-CB 3.7Å; F168-L275 HydrophobicContact CZ-CD1 4.37Å; F168-L275 HydrophobicContact CZ-CG 4.19Å; L173-L275 HydrophobicContact CD1-CB 4.4Å; L173-L275 HydrophobicContact CD1-CD1 4.14Å; L173-L275 HydrophobicContact CD2-CB 3.93Å; L193-L275 HydrophobicContact CD1-CB 4.04Å; L193-L275 HydrophobicContact CD1-CD1 4.4Å; L193-L275 HydrophobicContact CD1-CD2 4.23Å; L193-L275 HydrophobicContact CD1-CG 4.48Å; L193-L275 HydrophobicContact CD2-CD2 4.42Å; L193-L275 HydrophobicContact CG-CD2 4.47Å; F194-L275 WeakPolarHBondContact O-CA 3.32Å; V195-L275 HydrophobicContact CB-CD2 4.07Å; V195-L275 HydrophobicContact CG1-CD2 3.87Å; V195-L275 HydrophobicContact CG2-CD2 3.64Å
276V96.8Very high86.2Confident0 Ų045.3 Ų45.30%022%0.215CC..EExtended strand (participates in β ladder)trans-139131.2169.5175.70000108.5F194 I233 F256 G260 F261F194-V276 PolarHBondContact N-O 3.2Å; F194-V276 PolarHBondContact O-N 2.99Å; I233-V276 HydrophobicContact CG2-CB 4.35Å; I233-V276 HydrophobicContact CG2-CG1 3.79Å; I233-V276 HydrophobicContact CG2-CG2 4.48Å; F256-V276 CarbonylContact O-C 3.57Å; F256-V276 WeakPolarHBondContact O-CA 3.35Å; G260-V276 VanDerWaalsContact C-CG2 3.42Å; G260-V276 WeakPolarHBondContact O-CG2 3.44Å; F261-V276 HydrophobicContact CD1-CB 4.4Å; F261-V276 HydrophobicContact CD1-CG2 3.62Å; F261-V276 HydrophobicContact CD2-CG2 4.06Å; F261-V276 HydrophobicContact CE1-CB 3.97Å; F261-V276 HydrophobicContact CE1-CG2 3.69Å; F261-V276 HydrophobicContact CE2-CB 4.47Å; F261-V276 HydrophobicContact CE2-CG2 4.13Å; F261-V276 HydrophobicContact CG-CG2 3.8Å; F261-V276 HydrophobicContact CZ-CB 4.01Å; F261-V276 HydrophobicContact CZ-CG2 3.95Å
277F97.7Very high86.5Confident1 Ų144.8 Ų44.80%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-84.2138.4163.1-81.9-61.2000110.9M137 L141 L173 C177 Y183 C191 V192 L193 Y255 F256M137-F277 HydrophobicContact CE-CD1 4.12Å; M137-F277 HydrophobicContact CE-CE1 3.31Å; M137-F277 HydrophobicContact CE-CZ 4.11Å; L141-F277 HydrophobicContact CD1-CE2 4.36Å; L141-F277 HydrophobicContact CD1-CZ 3.85Å; L173-F277 HydrophobicContact CB-CD2 3.7Å; L173-F277 HydrophobicContact CB-CE2 3.87Å; L173-F277 HydrophobicContact CD1-CD2 4.1Å; L173-F277 HydrophobicContact CD1-CE2 3.7Å; L173-F277 HydrophobicContact CD2-CD2 4.15Å; L173-F277 HydrophobicContact CG-CD2 4.21Å; L173-F277 HydrophobicContact CG-CE2 4.26Å; C177-F277 HydrophobicContact CB-CB 3.93Å; C177-F277 HydrophobicContact CB-CD1 4.05Å; C177-F277 HydrophobicContact CB-CD2 3.3Å; C177-F277 HydrophobicContact CB-CE1 4.4Å; C177-F277 HydrophobicContact CB-CE2 3.74Å; C177-F277 HydrophobicContact CB-CG 3.51Å; C177-F277 HydrophobicContact CB-CZ 4.28Å; C177-F277 VanDerWaalsContact O-CE2 3.25Å; C177-F277 WeakPolarHBondContact O-CE2 3.48Å; Y183-F277 HydrophobicContact CD1-CE1 4.03Å; Y183-F277 HydrophobicContact CD1-CE2 4.22Å; Y183-F277 AromaticContact CD1-CZ 3.49Å; Y183-F277 HydrophobicContact CD1-CZ 3.49Å; Y183-F277 VanDerWaalsContact CD1-CZ 3.49Å; Y183-F277 HydrophobicContact CE1-CE2 4.37Å; Y183-F277 AromaticContact CE1-CZ 3.68Å; Y183-F277 HydrophobicContact CE1-CZ 3.68Å; C191-F277 HydrophobicContact CB-CD1 3.89Å; C191-F277 HydrophobicContact CB-CE1 4.42Å; C191-F277 HydrophobicContact CB-CG 4.38Å; V192-F277 WeakPolarHBondContact O-CA 3.42Å; L193-F277 HydrophobicContact CB-CD1 3.91Å; L193-F277 HydrophobicContact CB-CE1 3.55Å; L193-F277 HydrophobicContact CB-CZ 4.39Å; L193-F277 HydrophobicContact CD1-CD1 3.98Å; L193-F277 HydrophobicContact CD1-CE1 3.77Å; L193-F277 HydrophobicContact CD1-CE2 4.41Å; L193-F277 HydrophobicContact CD1-CG 4.36Å; L193-F277 HydrophobicContact CD1-CZ 4Å; L193-F277 HydrophobicContact CG-CE1 4.21Å; Y255-F277 CarbonylContact C-O 3.25Å; Y255-F277 WeakPolarHBondContact CA-O 3.46Å; F256-F277 HydrophobicContact CB-CB 4.28Å; F256-F277 HydrophobicContact CD2-CB 4.22Å; F256-F277 PolarHBondContact N-O 2.87Å; F256-F277 PolarHBondContact O-N 3.22Å
278V97.2Very high87.4Confident1 Ų144 Ų441%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-110.3115.1163.1179.50000107.2C191 V192 F194 I233 C235 F253 N254 Y255C191-V278 CarbonylContact C-O 3.57Å; C191-V278 WeakPolarHBondContact CA-O 3.29Å; V192-V278 PolarHBondContact N-O 3.17Å; V192-V278 PolarHBondContact O-N 3.49Å; F194-V278 HydrophobicContact CD2-CB 3.98Å; F194-V278 HydrophobicContact CD2-CG2 3.43Å; F194-V278 VanDerWaalsContact CD2-CG2 3.43Å; F194-V278 HydrophobicContact CE2-CB 3.82Å; F194-V278 HydrophobicContact CE2-CG2 3.58Å; I233-V278 HydrophobicContact CD1-CG2 4.21Å; C235-V278 HydrophobicContact CB-CG1 4.42Å; F253-V278 HydrophobicContact CB-CG1 4.28Å; F253-V278 HydrophobicContact CD1-CG1 3.92Å; F253-V278 HydrophobicContact CG-CG1 4.48Å; N254-V278 CarbonylContact O-C 3.5Å; N254-V278 WeakPolarHBondContact O-CA 3.4Å; Y255-V278 HydrophobicContact CD1-CG1 4.5Å; Y255-V278 HydrophobicContact CD1-CG2 3.78Å; Y255-V278 HydrophobicContact CE1-CG1 4.28Å; Y255-V278 HydrophobicContact CE1-CG2 3.96Å
279Q96.5Very high88.7Confident12 Ų1234.5 Ų34.56%0.05617%0.171CC..EExtended strand (participates in β ladder)trans-92.2131.2171.9177.5177.865.500109.8N189 F253 N254 F256N189-Q279 HydrophobicContact CB-CG 3.82Å; N189-Q279 WeakPolarHBondContact O-CG 3.37Å; N189-Q279 PolarHBondContact O-NE2 2.78Å; F253-Q279 WeakPolarHBondContact CA-O 3.42Å; N254-Q279 HydrophobicContact CB-CB 4.22Å; N254-Q279 PolarHBondContact N-O 3.41Å; N254-Q279 PolarHBondContact ND2-OE1 2.82Å; N254-Q279 PolarHBondContact O-N 2.8Å; F256-Q279 HydrophobicContact CE2-CB 3.84Å
280I95.4Very high90.4Very high0 Ų031.7 Ų31.70%016%0.158CC..EExtended strand (participates in β ladder)trans-93.1117172.5-45.2172.6000107.6L118 N189 P190 M252 F253 P283 I291 F311L118-I280 HydrophobicContact CD2-CD1 3.99Å; N189-I280 CarbonylContact C-O 3.51Å; N189-I280 VanDerWaalsContact CA-O 3.25Å; N189-I280 WeakPolarHBondContact CA-O 3.44Å; P190-I280 PolarHBondContact O-N 3.49Å; M252-I280 HydrophobicContact CE-CG2 4.01Å; M252-I280 HydrophobicContact CG-CG2 4.48Å; F253-I280 HydrophobicContact CD1-CG1 4.33Å; F253-I280 HydrophobicContact CE1-CG1 4.17Å; F253-I280 HydrophobicContact CE1-CG2 4.15Å; I280-P283 HydrophobicContact CB-CB 4.43Å; I280-P283 HydrophobicContact CB-CG 4.23Å; I280-P283 HydrophobicContact CG2-CB 3.68Å; I280-P283 HydrophobicContact CG2-CG 4.01Å; I280-P283 WeakPolarHBondContact O-CD 3.43Å; I280-I291 HydrophobicContact CD1-CD1 3.74Å; I280-F311 HydrophobicContact CD1-CE2 4.15Å; I280-F311 HydrophobicContact CD1-CZ 4.25Å
281A93.3Very high91.8Very high15 Ų1530.4 Ų30.412%0.12415%0.149CC..PPolyproline II helixtrans-79.6120.2-176.300000111.2N189 M252 P283N189-A281 WeakPolarHBondContact OD1-CA 3.28Å; M252-A281 WeakPolarHBondContact O-CB 3.13Å; M252-A281 PolarHBondContact O-N 3.4Å; A281-P283 VanDerWaalsContact C-CD 3.46Å
282Q89.9Confident92.7Very high91 Ų9128 Ų2843%0.42513%0.133SC..SBendtrans44.651174.7-58.1-178.7-40.400114.6N189 H284 R285N189-Q282 PolarHBondContact OD1-N 3.01Å; Q282-H284 PolarHBondContact O-N 2.78Å; Q282-R285 PolarHBondContact O-N 3.16Å; Q282-R285 PolarHBondContact O-NE 3.29Å; Q282-R285 VanDerWaalsContact O-NE 3.09Å
283P91.1Very high93.2Very high0 Ų026.3 Ų26.30%012%0.124CC..G310 helixtrans-73.7-11.6-174.933.2-37.9000112.9P190 I280 A281 R285 F286 L289 Y313P190-P283 HydrophobicContact CG-CG 3.75Å; I280-P283 HydrophobicContact CB-CB 4.43Å; I280-P283 HydrophobicContact CB-CG 4.23Å; I280-P283 HydrophobicContact CG2-CB 3.68Å; I280-P283 HydrophobicContact CG2-CG 4.01Å; I280-P283 WeakPolarHBondContact O-CD 3.43Å; A281-P283 VanDerWaalsContact C-CD 3.46Å; P283-R285 PolarHBondContact O-N 2.84Å; P283-R285 VanDerWaalsContact O-N 3.07Å; P283-F286 PolarHBondContact O-N 3.05Å; P283-F286 VanDerWaalsContact O-O 3.13Å; P283-L289 HydrophobicContact CB-CD1 4.09Å; P283-Y313 HydrophobicContact CB-CD1 4.37Å; P283-Y313 HydrophobicContact CB-CD2 4.36Å; P283-Y313 HydrophobicContact CB-CE1 3.79Å; P283-Y313 HydrophobicContact CB-CE2 3.71Å; P283-Y313 VanDerWaalsContact CB-CZ 3.43Å; P283-Y313 WeakPolarHBondContact CB-OH 3.12Å; P283-Y313 HydrophobicContact CG-CE2 3.66Å; P283-Y313 WeakPolarHBondContact O-CE1 3.26Å; P283-Y313 PolarHBondContact O-OH 2.86Å
284H87.1Confident93.4Very high80 Ų8028.5 Ų28.537%0.3713%0.131SC..G310 helixtrans-61.5-13.3174.665.3-90.1000113.9Y120 Q282 Y313 N315Y120-H284 HydrophobicContact CD1-CB 4.23Å; Y120-H284 HydrophobicContact CE1-CB 4.03Å; Q282-H284 PolarHBondContact O-N 2.78Å; H284-Y313 PolarHBondContact N-OH 2.87Å; H284-N315 VanDerWaalsContact CA-ND2 3.34Å; H284-N315 WeakPolarHBondContact CA-ND2 3.49Å; H284-N315 PolarHBondContact O-ND2 3.28Å
285R86.4Confident93.6Very high100 Ų10028.6 Ų28.638%0.37713%0.132SC..G310 helixtrans-72.3-19.1172.4-63.3179.8-66.6170-2.3112.5E250 Q282 P283E250-R285 IonicContact OE1-CZ 3.23Å; E250-R285 IonicContact OE1-NH1 3.5Å; E250-R285 PolarHBondContact OE1-NH1 3.23Å; E250-R285 IonicContact OE1-NH2 3.47Å; E250-R285 PolarHBondContact OE1-NH2 2.97Å; E250-R285 IonicContact OE2-NH1 2.86Å; Q282-R285 PolarHBondContact O-N 3.16Å; Q282-R285 PolarHBondContact O-NE 3.29Å; Q282-R285 VanDerWaalsContact O-NE 3.09Å; P283-R285 PolarHBondContact O-N 2.84Å; P283-R285 VanDerWaalsContact O-N 3.07Å
286F88.3Confident93.5Very high5 Ų529.3 Ų29.32%0.02214%0.138CC..  trans-110.9146.4-179.1-48.7-76.6000110.1D242 V244 P246 M252 P283 L289 N315D242-F286 VanDerWaalsContact OD2-C 3.3Å; D242-F286 WeakPolarHBondContact OD2-CA 3.25Å; D242-F286 WeakPolarHBondContact OD2-CB 3.5Å; V244-F286 WeakPolarHBondContact O-CE1 3.49Å; P246-F286 HydrophobicContact CG-CE1 4.48Å; P246-F286 HydrophobicContact CG-CZ 4.09Å; M252-F286 HydrophobicContact CE-CD2 4.33Å; M252-F286 HydrophobicContact CE-CE2 4.19Å; P283-F286 PolarHBondContact O-N 3.05Å; P283-F286 VanDerWaalsContact O-O 3.13Å; F286-L289 HydrophobicContact CB-CD1 4.03Å; F286-L289 HydrophobicContact CB-CD2 3.82Å; F286-L289 HydrophobicContact CB-CG 3.81Å; F286-L289 HydrophobicContact CD1-CD2 4.32Å; F286-L289 HydrophobicContact CD2-CD1 3.87Å; F286-L289 HydrophobicContact CD2-CD2 4.08Å; F286-L289 HydrophobicContact CD2-CG 4.36Å; F286-L289 HydrophobicContact CG-CD1 4.23Å; F286-L289 HydrophobicContact CG-CD2 3.81Å; F286-L289 HydrophobicContact CG-CG 4.23Å; F286-N315 WeakPolarHBondContact O-CB 3.36Å; F286-N315 PolarHBondContact O-ND2 3.35Å
287S89.5Confident93.4Very high28 Ų2829.5 Ų29.520%0.19614%0.139CC..SBendtrans-79.5-45.6174.858.70000111.1D242 N314 N315D242-S287 WeakPolarHBondContact OD1-CB 3.32Å; D242-S287 PolarHBondContact OD1-OG 3.13Å; D242-S287 PolarHBondContact OD2-N 2.98Å; D242-S287 PolarHBondContact OD2-OG 3.39Å; S287-N314 WeakPolarHBondContact O-CA 3.3Å; S287-N314 PolarHBondContact O-OD1 3.31Å; S287-N315 PolarHBondContact O-N 3.49Å
288E91.5Very high93.2Very high82 Ų8232.7 Ų32.738%0.38316%0.156SC..EExtended strand (participates in β ladder)trans-145.5135.5-177.9-169.4-173.714600110.9M240 G241 Y313M240-E288 WeakPolarHBondContact CA-O 3.43Å; G241-E288 PolarHBondContact N-O 3.12Å; E288-Y313 CarbonylContact C-O 3.57Å; E288-Y313 WeakPolarHBondContact CA-O 2.95Å
289L93.3Very high93.1Very high1 Ų133.6 Ų33.61%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-134.9125177-61.8165.2000109.7V237 M240 M252 P283 F286 I291 E312 Y313V237-L289 HydrophobicContact CG1-CD2 4.13Å; V237-L289 HydrophobicContact CG2-CD2 4.47Å; M240-L289 HydrophobicContact CB-CD2 4.15Å; M252-L289 HydrophobicContact CE-CD1 3.21Å; M252-L289 HydrophobicContact CE-CD2 3.92Å; M252-L289 HydrophobicContact CE-CG 4.13Å; P283-L289 HydrophobicContact CB-CD1 4.09Å; F286-L289 HydrophobicContact CB-CD1 4.03Å; F286-L289 HydrophobicContact CB-CD2 3.82Å; F286-L289 HydrophobicContact CB-CG 3.81Å; F286-L289 HydrophobicContact CD1-CD2 4.32Å; F286-L289 HydrophobicContact CD2-CD1 3.87Å; F286-L289 HydrophobicContact CD2-CD2 4.08Å; F286-L289 HydrophobicContact CD2-CG 4.36Å; F286-L289 HydrophobicContact CG-CD1 4.23Å; F286-L289 HydrophobicContact CG-CD2 3.81Å; F286-L289 HydrophobicContact CG-CG 4.23Å; L289-I291 HydrophobicContact CB-CD1 4.21Å; L289-I291 HydrophobicContact CB-CG1 4.11Å; L289-E312 CarbonylContact O-C 3.55Å; L289-E312 WeakPolarHBondContact O-CA 3.46Å; L289-Y313 HydrophobicContact CB-CD1 4.1Å; L289-Y313 HydrophobicContact CD1-CD1 3.67Å; L289-Y313 HydrophobicContact CD1-CE1 4.13Å; L289-Y313 HydrophobicContact CD1-CG 4.31Å; L289-Y313 HydrophobicContact CG-CD1 4.02Å; L289-Y313 PolarHBondContact N-O 3.03Å; L289-Y313 PolarHBondContact O-N 3.41Å
290H94.3Very high93Very high21 Ų2134.5 Ų34.510%0.09717%0.166CC..EExtended strand (participates in β ladder)trans-95.9110.8168.9-173.9-138.5000109M238 R239 E310M238-H290 PolarHBondContact N-O 3.26Å; R239-H290 HydrophobicContact CB-CB 3.95Å; R239-H290 PolarHBondContact O-N 2.96Å; H290-E310 IonicContact CE1-OE2 3.5Å; H290-E310 PolarHBondContact CE1-OE2 3.14Å; H290-E310 VanDerWaalsContact CE1-OE2 3.26Å; H290-E310 IonicContact NE2-OE2 2.82Å
291I95.7Very high92.9Very high0 Ų045.6 Ų45.60%021%0.208CC..EExtended strand (participates in β ladder)trans-110.2132-170.4-60.6165.6000109.1C235 S236 F253 I280 L289 E310 F311C235-I291 HydrophobicContact CB-CG2 4.4Å; S236-I291 WeakPolarHBondContact O-CA 3.21Å; F253-I291 HydrophobicContact CE1-CD1 4.09Å; F253-I291 HydrophobicContact CE1-CG1 4.39Å; F253-I291 HydrophobicContact CE1-CG2 3.85Å; F253-I291 HydrophobicContact CZ-CD1 4.28Å; F253-I291 HydrophobicContact CZ-CG1 4.14Å; F253-I291 HydrophobicContact CZ-CG2 3.77Å; I280-I291 HydrophobicContact CD1-CD1 3.74Å; L289-I291 HydrophobicContact CB-CD1 4.21Å; L289-I291 HydrophobicContact CB-CG1 4.11Å; I291-E310 WeakPolarHBondContact O-CA 3.42Å; I291-F311 HydrophobicContact CB-CD1 4.45Å; I291-F311 HydrophobicContact CB-CE1 4.01Å; I291-F311 HydrophobicContact CB-CE2 4.23Å; I291-F311 HydrophobicContact CB-CZ 3.9Å; I291-F311 HydrophobicContact CD1-CE2 3.85Å; I291-F311 HydrophobicContact CD1-CZ 3.95Å; I291-F311 HydrophobicContact CG2-CE1 3.77Å; I291-F311 HydrophobicContact CG2-CZ 3.79Å; I291-F311 PolarHBondContact N-O 2.77Å; I291-F311 PolarHBondContact O-N 2.9Å
292R95.9Very high92.9Very high80 Ų8051.3 Ų51.330%0.30223%0.232SC..EExtended strand (participates in β ladder)trans-114.1120.5170.7-179.3-174.5-73.8161.3-5109.7C235 S236 M238 S308 I309 E310C235-R292 CarbonylContact C-O 3.6Å; C235-R292 VanDerWaalsContact CA-O 3.25Å; C235-R292 WeakPolarHBondContact CA-O 3.5Å; S236-R292 PolarHBondContact N-O 3.41Å; S236-R292 PolarHBondContact O-N 2.69Å; M238-R292 HydrophobicContact CG-CB 3.76Å; M238-R292 HydrophobicContact SD-CB 3.64Å; M238-R292 HydrophobicContact SD-CG 4.36Å; M238-R292 PolarHBondContact SD-NE 2.81Å; M238-R292 PolarHBondContact SD-NH2 2.97Å; M238-R292 VanDerWaalsContact SD-NH2 3.36Å; R292-S308 VanDerWaalsContact CG-OG 3.29Å; R292-S308 WeakPolarHBondContact CG-OG 3.5Å; R292-I309 WeakPolarHBondContact CA-O 3.35Å; R292-E310 HydrophobicContact CB-CG 3.94Å; R292-E310 HydrophobicContact CG-CG 3.87Å; R292-E310 IonicContact CZ-OE1 3.94Å; R292-E310 IonicContact NE-OE1 3.91Å; R292-E310 PolarHBondContact NE-OE1 3.24Å; R292-E310 IonicContact NH2-OE1 3.4Å; R292-E310 PolarHBondContact NH2-OE1 3.3Å
293C97.3Very high92.9Very high0 Ų047.6 Ų47.60%022%0.215CC..EExtended strand (participates in β ladder)trans-106.1137169.8-65.90000110F194 I233 S234 C235 S308 I309F194-C293 HydrophobicContact CE1-CB 3.86Å; F194-C293 HydrophobicContact CE2-CB 4.33Å; F194-C293 HydrophobicContact CZ-CB 3.63Å; F194-C293 WeakPolarHBondContact CZ-SG 3.4Å; I233-C293 HydrophobicContact CD1-CB 4.39Å; S234-C293 CarbonylContact O-C 3.58Å; S234-C293 WeakPolarHBondContact O-CA 3.29Å; C235-C293 HydrophobicContact CB-CB 4.16Å; C235-C293 WeakPolarHBondContact CB-SG 3.4Å; C235-C293 WeakPolarHBondContact SG-CB 3.34Å; C235-C293 CovalentContact SG-SG 2.04Å; C235-C293 PolarHBondContact SG-SG 3.36Å; C293-S308 CarbonylContact O-C 3.58Å; C293-S308 WeakPolarHBondContact O-CA 3.46Å; C293-S308 PolarHBondContact O-OG 3.44Å; C293-I309 PolarHBondContact N-O 3.16Å; C293-I309 PolarHBondContact O-N 2.94Å
294Q96.2Very high92.8Very high78 Ų7855.9 Ų55.936%0.36425%0.254SS..EExtended strand (participates in β ladder)trans-143.1143.7-17861.6-172.7-12.400111.3I233 S234 H307I233-Q294 CarbonylContact C-O 3.52Å; I233-Q294 WeakPolarHBondContact CA-O 3.24Å; S234-Q294 PolarHBondContact N-O 2.95Å; S234-Q294 PolarHBondContact O-N 2.77Å; Q294-H307 VanDerWaalsContact CA-O 3.3Å; Q294-H307 WeakPolarHBondContact CA-O 3.4Å
295I96Very high93Very high4 Ų452.8 Ų52.82%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-89.8148.1168.152.9163.8000110L104 L196 I231 P232 I233 F261 I300 L303 H307L104-I295 HydrophobicContact CD1-CG2 4.03Å; L104-I295 HydrophobicContact CD2-CG2 4.43Å; L196-I295 HydrophobicContact CD1-CD1 3.81Å; I231-I295 HydrophobicContact CG2-CB 3.96Å; I231-I295 HydrophobicContact CG2-CG2 4.3Å; P232-I295 VanDerWaalsContact O-CA 3.31Å; P232-I295 WeakPolarHBondContact O-CA 3.49Å; I233-I295 HydrophobicContact CB-CG2 4.12Å; I233-I295 HydrophobicContact CG1-CG2 4.36Å; F261-I295 HydrophobicContact CD2-CG2 3.99Å; F261-I295 HydrophobicContact CE2-CG2 3.66Å; I295-I300 HydrophobicContact CD1-CD1 3.94Å; I295-I300 HydrophobicContact CG1-CD1 4Å; I295-L303 HydrophobicContact CD1-CD2 3.78Å; I295-H307 HydrophobicContact CD1-CB 4.21Å; I295-H307 HydrophobicContact CG1-CB 3.87Å; I295-H307 WeakPolarHBondContact CG1-O 3.42Å; I295-H307 PolarHBondContact N-O 2.62Å
296A94.3Very high93.3Very high17 Ų1750.4 Ų50.414%0.1424%0.238CC..  trans-130.3134.8-174.600000111.8F210 L214 P232F210-A296 HydrophobicContact CE1-CB 4.3Å; F210-A296 HydrophobicContact CZ-CB 3.85Å; L214-A296 HydrophobicContact CD1-CB 4.04Å; L214-A296 HydrophobicContact CD2-CB 4.09Å; P232-A296 WeakPolarHBondContact CD-O 3.43Å; P232-A296 HydrophobicContact CG-CB 4.22Å; P232-A296 WeakPolarHBondContact CG-O 3.29Å; P232-A296 PolarHBondContact O-N 3.34Å
297A94.7Very high93.6Very high3 Ų354.1 Ų54.13%0.02526%0.255CS..  trans-155.4158172.900000108.9W202 P204 L206 F210 N299 I300W202-A297 HydrophobicContact CH2-CB 4.33Å; W202-A297 HydrophobicContact CZ2-CB 3.82Å; P204-A297 HydrophobicContact CB-CB 4.43Å; L206-A297 HydrophobicContact CD2-CB 4.28Å; F210-A297 VanDerWaalsContact CE1-CA 3.45Å; F210-A297 VanDerWaalsContact CZ-CA 3.48Å; A297-N299 PolarHBondContact O-N 3.36Å; A297-I300 HydrophobicContact CB-CB 4.34Å; A297-I300 WeakPolarHBondContact O-CB 3.36Å; A297-I300 WeakPolarHBondContact O-CG2 3.1Å; A297-I300 PolarHBondContact O-N 3.48Å; A297-I300 VanDerWaalsContact O-N 3.12Å
298D94.4Very high93.9Very high69 Ų6954.3 Ų54.337%0.36926%0.256SS..THydrogen-bonded Turntrans-57.5-39.7179.6-83.2-46.3000111.8V205 S207 F210V205-D298 HydrophobicContact CB-CB 4.08Å; V205-D298 HydrophobicContact CG1-CB 3.97Å; V205-D298 WeakPolarHBondContact O-CB 3.31Å; V205-D298 PolarHBondContact O-N 3.11Å; S207-D298 WeakPolarHBondContact CB-OD2 3.46Å; S207-D298 PolarHBondContact OG-OD2 2.89Å; F210-D298 VanDerWaalsContact CB-OD1 3.3Å; F210-D298 WeakPolarHBondContact CB-OD1 3.43Å; F210-D298 WeakPolarHBondContact CB-OD2 3.31Å; F210-D298 WeakPolarHBondContact CD2-OD1 3.46Å; F210-D298 VanDerWaalsContact CG-OD1 3.31Å; F210-D298 WeakPolarHBondContact CG-OD1 3.4Å
299N94.6Very high94.1Very high19 Ų1951.7 Ų51.710%0.10224%0.244CC..THydrogen-bonded Turntrans-103.428.9179.573-33.9000113.1W202 I203 V205 A297 R301 E302W202-N299 PolarHBondContact NE1-ND2 3.16Å; W202-N299 PolarHBondContact NE1-O 2.68Å; W202-N299 VanDerWaalsContact NE1-O 3.13Å; I203-N299 PolarHBondContact O-ND2 3.39Å; V205-N299 HydrophobicContact CB-CB 4.41Å; V205-N299 HydrophobicContact CG2-CB 4.25Å; V205-N299 PolarHBondContact N-OD1 2.73Å; A297-N299 PolarHBondContact O-N 3.36Å; N299-R301 PolarHBondContact O-N 2.95Å; N299-E302 HydrophobicContact CB-CG 4.33Å; N299-E302 PolarHBondContact ND2-OE2 3.05Å; N299-E302 WeakPolarHBondContact O-CB 3.49Å; N299-E302 PolarHBondContact O-N 3.23Å
300I94.8Very high94.2Very high32 Ų3256 Ų5616%0.16427%0.265CS..G310 helixtrans-56.6-28.1-177.2-169.158.2000113.7W202 I295 A297 E302 L303 H307W202-I300 HydrophobicContact CH2-CD1 4.19Å; W202-I300 HydrophobicContact CZ2-CD1 3.9Å; I295-I300 HydrophobicContact CD1-CD1 3.94Å; I295-I300 HydrophobicContact CG1-CD1 4Å; A297-I300 HydrophobicContact CB-CB 4.34Å; A297-I300 WeakPolarHBondContact O-CB 3.36Å; A297-I300 WeakPolarHBondContact O-CG2 3.1Å; A297-I300 PolarHBondContact O-N 3.48Å; A297-I300 VanDerWaalsContact O-N 3.12Å; I300-E302 PolarHBondContact O-N 3.06Å; I300-L303 HydrophobicContact CD1-CB 4.43Å; I300-L303 HydrophobicContact CD1-CD2 4.02Å; I300-L303 WeakPolarHBondContact O-CB 3.31Å; I300-L303 PolarHBondContact O-N 3.23Å; I300-L303 VanDerWaalsContact O-N 3.16Å; I300-H307 HydrophobicContact CD1-CB 3.89Å; I300-H307 HydrophobicContact CG1-CB 4.02Å
301R92.8Very high94.3Very high232 Ų23255.6 Ų55.688%0.87526%0.263SS*.G310 helixtrans-66.6-17.1177.8-66.1-176.9-68.8-161.9-3.8114.1N299 L303N299-R301 PolarHBondContact O-N 2.95Å; R301-L303 VanDerWaalsContact C-N 3.34Å
302E92.9Very high94.3Very high136 Ų13659.5 Ų59.564%0.63628%0.281SS*.G310 helixtrans-84.3-11.1177.2-63.5173.8-174.400112.4N299 I300 E304N299-E302 HydrophobicContact CB-CG 4.33Å; N299-E302 PolarHBondContact ND2-OE2 3.05Å; N299-E302 WeakPolarHBondContact O-CB 3.49Å; N299-E302 PolarHBondContact O-N 3.23Å; I300-E302 PolarHBondContact O-N 3.06Å; E302-E304 PolarHBondContact O-N 2.89Å
303L90.9Very high94.2Very high13 Ų1355.7 Ų55.77%0.06827%0.267CS..  trans-70.9116.3177.1177.559.2000110.5V199 W202 I295 I300 R301 G305 H307V199-L303 HydrophobicContact CB-CD1 3.8Å; V199-L303 HydrophobicContact CG1-CD1 3.92Å; W202-L303 HydrophobicContact CB-CD1 4.06Å; W202-L303 HydrophobicContact CD2-CB 4.04Å; W202-L303 HydrophobicContact CD2-CD1 3.94Å; W202-L303 HydrophobicContact CD2-CG 4.43Å; W202-L303 HydrophobicContact CE3-CD1 3.88Å; W202-L303 HydrophobicContact CG-CB 4.07Å; W202-L303 HydrophobicContact CG-CD1 4.07Å; W202-L303 HydrophobicContact CZ3-CD2 4.43Å; I295-L303 HydrophobicContact CD1-CD2 3.78Å; I300-L303 HydrophobicContact CD1-CB 4.43Å; I300-L303 HydrophobicContact CD1-CD2 4.02Å; I300-L303 WeakPolarHBondContact O-CB 3.31Å; I300-L303 PolarHBondContact O-N 3.23Å; I300-L303 VanDerWaalsContact O-N 3.16Å; R301-L303 VanDerWaalsContact C-N 3.34Å; L303-G305 PolarHBondContact O-N 2.01Å; L303-H307 HydrophobicContact CD2-CB 4.17Å
304E88.3Confident93.9Very high174 Ų17458.6 Ų58.681%0.81328%0.282SS*.SBendtrans-81.463.5173.3-63.4-171.5168.400111.4S102 E302S102-E304 WeakPolarHBondContact CB-O 3.3Å; S102-E304 PolarHBondContact OG-O 2.97Å; E302-E304 PolarHBondContact O-N 2.89Å
305G90.5Very high93.6Very high14 Ų1455.1 Ų55.114%0.14427%0.266CS..SBendtrans-170.1-178.1-176.200000113.6S102 L303 H307S102-G305 WeakPolarHBondContact O-CA 3.49Å; S102-G305 WeakPolarHBondContact OG-CA 3.37Å; L303-G305 PolarHBondContact O-N 2.01Å; G305-H307 PolarHBondContact O-N 3.4Å
306I93.5Very high93.1Very high51 Ų5156.3 Ų56.326%0.26227%0.274SS..BIsolated β-bridgetrans-71.4124.8174.3-61.8177.6000108.1K100 S102 G103 L104 S308 I309K100-I306 HydrophobicContact CG-CD1 4.29Å; S102-I306 PolarHBondContact O-N 2.97Å; G103-I306 CarbonylContact C-O 3.48Å; G103-I306 WeakPolarHBondContact CA-O 3.14Å; L104-I306 HydrophobicContact CB-CG2 4.41Å; L104-I306 WeakPolarHBondContact CB-O 3.35Å; L104-I306 PolarHBondContact N-O 3.41Å; I306-S308 VanDerWaalsContact CG2-O 3.23Å; I306-S308 WeakPolarHBondContact CG2-O 3.22Å; I306-I309 HydrophobicContact CG2-CG1 3.89Å
307H94.9Very high92.3Very high82 Ų8260.4 Ų60.438%0.3829%0.29SS..  trans-116.4-3.9173.963.477.6000112.7Q294 I295 I300 L303 G305Q294-H307 VanDerWaalsContact CA-O 3.3Å; Q294-H307 WeakPolarHBondContact CA-O 3.4Å; I295-H307 HydrophobicContact CD1-CB 4.21Å; I295-H307 HydrophobicContact CG1-CB 3.87Å; I295-H307 WeakPolarHBondContact CG1-O 3.42Å; I295-H307 PolarHBondContact N-O 2.62Å; I300-H307 HydrophobicContact CD1-CB 3.89Å; I300-H307 HydrophobicContact CG1-CB 4.02Å; L303-H307 HydrophobicContact CD2-CB 4.17Å; G305-H307 PolarHBondContact O-N 3.4Å
308S95.5Very high91.1Very high33 Ų3364.8 Ų64.823%0.23132%0.319CS..EExtended strand (participates in β ladder)trans-144.5136.5176.1-174.50000110.4R292 C293 I306R292-S308 VanDerWaalsContact CG-OG 3.29Å; R292-S308 WeakPolarHBondContact CG-OG 3.5Å; C293-S308 CarbonylContact O-C 3.58Å; C293-S308 WeakPolarHBondContact O-CA 3.46Å; C293-S308 PolarHBondContact O-OG 3.44Å; I306-S308 VanDerWaalsContact CG2-O 3.23Å; I306-S308 WeakPolarHBondContact CG2-O 3.22Å
309I95.9Very high89.4Confident26 Ų2667.8 Ų67.813%0.13334%0.335CS..EExtended strand (participates in β ladder)trans-121.4132.7175.6-65.9179.2000107.9L104 M106 F194 R292 C293 I306 F311L104-I309 HydrophobicContact CB-CD1 4.3Å; L104-I309 HydrophobicContact CD2-CD1 4.18Å; L104-I309 HydrophobicContact CD2-CG1 4.1Å; L104-I309 HydrophobicContact CG-CD1 3.87Å; L104-I309 HydrophobicContact CG-CG1 4.26Å; M106-I309 HydrophobicContact CB-CD1 3.83Å; M106-I309 HydrophobicContact CB-CG2 4.29Å; M106-I309 HydrophobicContact SD-CG2 4.11Å; F194-I309 HydrophobicContact CD1-CD1 4.3Å; F194-I309 HydrophobicContact CE1-CB 4.24Å; F194-I309 HydrophobicContact CE1-CD1 4.1Å; F194-I309 HydrophobicContact CE1-CG2 4.47Å; R292-I309 WeakPolarHBondContact CA-O 3.35Å; C293-I309 PolarHBondContact N-O 3.16Å; C293-I309 PolarHBondContact O-N 2.94Å; I306-I309 HydrophobicContact CG2-CG1 3.89Å; I309-F311 HydrophobicContact CG2-CD1 4.47Å
310E95.6Very high87.5Confident93 Ų9373.2 Ų73.244%0.43537%0.368SS..EExtended strand (participates in β ladder)trans-110.8135172.1-70.3177.4-156.100108.5M238 H290 I291 R292M238-E310 HydrophobicContact SD-CG 4.11Å; H290-E310 IonicContact CE1-OE2 3.5Å; H290-E310 PolarHBondContact CE1-OE2 3.14Å; H290-E310 VanDerWaalsContact CE1-OE2 3.26Å; H290-E310 IonicContact NE2-OE2 2.82Å; I291-E310 WeakPolarHBondContact O-CA 3.42Å; R292-E310 HydrophobicContact CB-CG 3.94Å; R292-E310 HydrophobicContact CG-CG 3.87Å; R292-E310 IonicContact CZ-OE1 3.94Å; R292-E310 IonicContact NE-OE1 3.91Å; R292-E310 PolarHBondContact NE-OE1 3.24Å; R292-E310 IonicContact NH2-OE1 3.4Å; R292-E310 PolarHBondContact NH2-OE1 3.3Å
311F95.9Very high85.1Confident12 Ų1279.4 Ų79.45%0.05340%0.396CS..EExtended strand (participates in β ladder)trans-146.5152173.465.9-82.4000110.7M106 L110 L118 V192 F194 I280 I291 I309M106-F311 HydrophobicContact CE-CB 4.23Å; M106-F311 HydrophobicContact CE-CD1 4.04Å; M106-F311 HydrophobicContact CE-CD2 3.82Å; M106-F311 HydrophobicContact CE-CE1 4.35Å; M106-F311 HydrophobicContact CE-CE2 4.14Å; M106-F311 HydrophobicContact CE-CG 3.76Å; M106-F311 HydrophobicContact CE-CZ 4.39Å; M106-F311 HydrophobicContact SD-CB 4.13Å; M106-F311 HydrophobicContact SD-CD1 3.6Å; M106-F311 VanDerWaalsContact SD-CD1 3.6Å; M106-F311 HydrophobicContact SD-CD2 4.45Å; M106-F311 HydrophobicContact SD-CE1 4.08Å; M106-F311 HydrophobicContact SD-CG 3.81Å; L110-F311 HydrophobicContact CD1-CB 3.73Å; L110-F311 HydrophobicContact CD1-CD2 4.31Å; L110-F311 HydrophobicContact CD1-CG 4.35Å; L118-F311 HydrophobicContact CB-CD2 4.26Å; L118-F311 HydrophobicContact CD2-CD2 4.48Å; L118-F311 HydrophobicContact CD2-CE2 3.93Å; V192-F311 HydrophobicContact CG2-CZ 4.39Å; F194-F311 HydrophobicContact CZ-CE1 4.05Å; I280-F311 HydrophobicContact CD1-CE2 4.15Å; I280-F311 HydrophobicContact CD1-CZ 4.25Å; I291-F311 HydrophobicContact CB-CD1 4.45Å; I291-F311 HydrophobicContact CB-CE1 4.01Å; I291-F311 HydrophobicContact CB-CE2 4.23Å; I291-F311 HydrophobicContact CB-CZ 3.9Å; I291-F311 HydrophobicContact CD1-CE2 3.85Å; I291-F311 HydrophobicContact CD1-CZ 3.95Å; I291-F311 HydrophobicContact CG2-CE1 3.77Å; I291-F311 HydrophobicContact CG2-CZ 3.79Å; I291-F311 PolarHBondContact N-O 2.77Å; I291-F311 PolarHBondContact O-N 2.9Å; I309-F311 HydrophobicContact CG2-CD1 4.47Å
312E94.7Very high82.9Confident82 Ų8277.1 Ų77.138%0.38340%0.395SS..EExtended strand (participates in β ladder)trans-94.3139.4174.1-68.5175.3-177.600109.4V117 L118 L289V117-E312 HydrophobicContact CB-CB 4.5Å; V117-E312 HydrophobicContact CG1-CB 3.92Å; V117-E312 VanDerWaalsContact CG1-O 3.29Å; V117-E312 WeakPolarHBondContact CG1-O 2.98Å; V117-E312 HydrophobicContact CG2-CB 4.14Å; L118-E312 PolarHBondContact N-O 2.78Å; L289-E312 CarbonylContact O-C 3.55Å; L289-E312 WeakPolarHBondContact O-CA 3.46Å
313Y94.1Very high80.3Confident0 Ų079.5 Ų79.50%040%0.404CS..EExtended strand (participates in β ladder)trans-109135.4165.7161.8-80.5000108.4L118 Y120 P283 H284 E288 L289 N315L118-Y313 HydrophobicContact CD2-CD2 4.22Å; L118-Y313 HydrophobicContact CG-CD2 4.37Å; L118-Y313 CarbonylContact O-C 3.6Å; L118-Y313 VanDerWaalsContact O-CA 3.29Å; L118-Y313 WeakPolarHBondContact O-CA 3.28Å; Y120-Y313 VanDerWaalsContact CB-CE2 3.43Å; Y120-Y313 HydrophobicContact CG-CE2 4.41Å; P283-Y313 HydrophobicContact CB-CD1 4.37Å; P283-Y313 HydrophobicContact CB-CD2 4.36Å; P283-Y313 HydrophobicContact CB-CE1 3.79Å; P283-Y313 HydrophobicContact CB-CE2 3.71Å; P283-Y313 VanDerWaalsContact CB-CZ 3.43Å; P283-Y313 WeakPolarHBondContact CB-OH 3.12Å; P283-Y313 HydrophobicContact CG-CE2 3.66Å; P283-Y313 WeakPolarHBondContact O-CE1 3.26Å; P283-Y313 PolarHBondContact O-OH 2.86Å; H284-Y313 PolarHBondContact N-OH 2.87Å; E288-Y313 CarbonylContact C-O 3.57Å; E288-Y313 WeakPolarHBondContact CA-O 2.95Å; L289-Y313 HydrophobicContact CB-CD1 4.1Å; L289-Y313 HydrophobicContact CD1-CD1 3.67Å; L289-Y313 HydrophobicContact CD1-CE1 4.13Å; L289-Y313 HydrophobicContact CD1-CG 4.31Å; L289-Y313 HydrophobicContact CG-CD1 4.02Å; L289-Y313 PolarHBondContact N-O 3.03Å; L289-Y313 PolarHBondContact O-N 3.41Å; Y313-N315 HydrophobicContact CE1-CB 3.83Å
314N91.9Very high78.1Confident60 Ų6085 Ų8532%0.32143%0.432SS..EExtended strand (participates in β ladder)trans-131.3135.7176.8-172.2-11.5000110.2V117 L118 V119 Y120 S287V117-N314 HydrophobicContact CG1-CB 3.53Å; L118-N314 PolarHBondContact O-N 2.82Å; V119-N314 WeakPolarHBondContact CA-O 3.39Å; Y120-N314 PolarHBondContact N-O 3.4Å; Y120-N314 VanDerWaalsContact N-O 3.11Å; S287-N314 WeakPolarHBondContact O-CA 3.3Å; S287-N314 PolarHBondContact O-OD1 3.31Å
315N89.8Confident76.1Confident5 Ų581.7 Ų81.73%0.02743%0.426CS..  trans-118.193.7172.3177.425.4000108.2Y120 H121 H284 F286 S287 Y313 Q317Y120-N315 WeakPolarHBondContact O-CA 3.31Å; Y120-N315 PolarHBondContact O-OD1 2.69Å; H121-N315 PolarHBondContact CD2-OD1 2.03Å; H284-N315 VanDerWaalsContact CA-ND2 3.34Å; H284-N315 WeakPolarHBondContact CA-ND2 3.49Å; H284-N315 PolarHBondContact O-ND2 3.28Å; F286-N315 WeakPolarHBondContact O-CB 3.36Å; F286-N315 PolarHBondContact O-ND2 3.35Å; S287-N315 PolarHBondContact O-N 3.49Å; Y313-N315 HydrophobicContact CE1-CB 3.83Å; N315-Q317 PolarHBondContact ND2-NE2 2.86Å; N315-Q317 PolarHBondContact O-N 3.27Å; N315-Q317 PolarHBondContact O-NE2 2.7Å
316P85.1Confident74.2Confident30 Ų3088 Ų8820%0.19546%0.461CS..  trans-57106.3-178.1-26.335000110.7V119 H121 Y126V119-P316 HydrophobicContact CG1-CG 3.95Å; H121-P316 PolarHBondContact CD2-O 3.04Å; H121-P316 PolarHBondContact NE2-O 2.97Å; Y126-P316 HydrophobicContact CE1-CB 4.26Å; Y126-P316 HydrophobicContact CE1-CG 3.89Å; Y126-P316 HydrophobicContact CE2-CB 4.48Å; Y126-P316 VanDerWaalsContact OH-CB 3.25Å; Y126-P316 WeakPolarHBondContact OH-CB 3.25Å
317Q78.4Confident72.6Confident102 Ų10295 Ų9548%0.47751%0.506SS..PPolyproline II helixtrans-70.8145.2174.3-61.7-61-43.500109N315 D319N315-Q317 PolarHBondContact ND2-NE2 2.86Å; N315-Q317 PolarHBondContact O-N 3.27Å; N315-Q317 PolarHBondContact O-NE2 2.7Å; Q317-D319 PolarHBondContact O-N 2.91Å
318P68.6Low71.5Confident96 Ų9695.7 Ų95.762%0.62351%0.512SS*.PPolyproline II helixtrans-56.1127.6168.922.3-30.4000108.7V320P318-V320 PolarHBondContact O-N 3.49Å
319D59.3Low70.2Confident132 Ų13299 Ų9971%0.70653%0.527SS*.PPolyproline II helixtrans-49.4118.4178.2-80.4-46.2000109.2Q317 Q321 E322Q317-D319 PolarHBondContact O-N 2.91Å; D319-Q321 PolarHBondContact O-N 2.98Å; D319-E322 PolarHBondContact O-N 3.28Å; D319-E322 VanDerWaalsContact O-N 3.07Å
320V54.5Low68.8Low132 Ų132103.1 Ų103.180%0.855%0.549SS*.G310 helixtrans-56.2-17172.81780000110.8P318 E322 K323P318-V320 PolarHBondContact O-N 3.49Å; V320-E322 PolarHBondContact O-N 3.39Å; V320-K323 PolarHBondContact O-N 3.05Å
321Q44.5Very low67.2Low162 Ų162103.6 Ų103.676%0.75756%0.556SS**G310 helixtrans-71.3-17.6177-65.3-166.39.600115.3D319 K323D319-Q321 PolarHBondContact O-N 2.98Å; Q321-K323 PolarHBondContact O-N 3.17Å
322E45.3Very low65.4Low184 Ų184109.4 Ų109.486%0.8659%0.587SS**G310 helixtrans-81-3.4175.9-148.2172.2-162.400113D319 V320D319-E322 PolarHBondContact O-N 3.28Å; D319-E322 VanDerWaalsContact O-N 3.07Å; V320-E322 PolarHBondContact O-N 3.39Å
323K39.8Very low63.5Low186 Ų186111.2 Ų111.281%0.80960%0.601SS**G310 helixtrans-103.742.8168.9-68.3-174.2-177.1176.30112.6V320 Q321 P325V320-K323 PolarHBondContact O-N 3.05Å; Q321-K323 PolarHBondContact O-N 3.17Å; K323-P325 VanDerWaalsContact O-CD 3.27Å; K323-P325 WeakPolarHBondContact O-CD 3.22Å
324I43.1Very low61.3Low129 Ų129119.1 Ų119.166%0.66264%0.643SS**  trans-90.3103.9153.4-56.8175000105.5V326I324-V326 PolarHBondContact O-N 3.44Å
325P47.5Very low59Low105 Ų105123.7 Ų123.768%0.68267%0.668SS**  trans-58.8119.5170.524.9-30.3000107K323 V327K323-P325 VanDerWaalsContact O-CD 3.27Å; K323-P325 WeakPolarHBondContact O-CD 3.22Å; P325-V327 PolarHBondContact O-N 3.34Å
326V50.9Low56.4Low145 Ų145133.6 Ų133.688%0.87972%0.722SS**  trans-56.8110.7163.3-1800000105.5I324I324-V326 PolarHBondContact O-N 3.44Å
327V59.8Low53.8Low200 Ų200143 Ų143100%1.21277%0.77SS**  trans-65.40176.41750000110.1P325P325-V327 PolarHBondContact O-N 3.34Å

Retrieved 327 of 327 residues in 89.7 ms (Link to these results)