A0A087X8D8_POEFO Loading...

Ankyrin repeat and SOCS box protein 1

AlphaFold DB , UniProt , Accession A0A087X8D8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 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
1M37Very low38.1Very low250 Ų250138.4 Ų138.4100%1.23285%0.848SS**  0111.80-59.4-177.1-16300106
2A40.7Very low38.1Very low99 Ų99136.1 Ų136.182%0.81884%0.837SS**  cis-146.5140.71.700000106.7
3D34.5Very low37.9Very low173 Ų173134.7 Ų134.793%0.92583%0.832SS**  trans-59.3134.5162.2-76.4-51.4000109.9
4G36.8Very low37.7Very low66 Ų66132.9 Ų132.968%0.6883%0.827SS**  trans-132.7122.9160.800000107.4A6G4-A6 PolarHBondContact O-N 3.33Å
5P40.8Very low37.7Very low129 Ų129132.3 Ų132.384%0.83881%0.814SS**PPolyproline II helixtrans-73.7127.4-175.929.3-30.8000109.3A7P5-A7 PolarHBondContact O-N 3.43Å
6A40Very low37.6Very low97 Ų97133.8 Ų133.880%0.80281%0.813SS**PPolyproline II helixtrans-63.7123.2164.900000107.7G4 D8G4-A6 PolarHBondContact O-N 3.33Å; A6-D8 PolarHBondContact O-N 3.24Å
7A38.4Very low37.4Very low90 Ų90134.9 Ų134.974%0.74481%0.805SS**PPolyproline II helixtrans-60.812017800000109.9P5 V9P5-A7 PolarHBondContact O-N 3.43Å; A7-V9 PolarHBondContact O-N 3.26Å; A7-V9 VanDerWaalsContact O-N 3.07Å
8D35.3Very low37.4Very low161 Ų161133.4 Ų133.486%0.86180%0.799SS**  trans-56.9107.5162.1-81.2-41.6000108.3A6 D10A6-D8 PolarHBondContact O-N 3.24Å; D8-D10 VanDerWaalsContact C-N 3.34Å; D8-D10 PolarHBondContact O-N 3.07Å
9V40.3Very low37.3Very low133 Ų133132.5 Ų132.581%0.80680%0.797SS**  trans-82.193.5161.7-1770000105.4A7 E11A7-V9 PolarHBondContact O-N 3.26Å; A7-V9 VanDerWaalsContact O-N 3.07Å; V9-E11 PolarHBondContact O-N 3.13Å
10D35.8Very low37.2Very low154 Ų154132.2 Ų132.282%0.82480%0.795SS**  trans-63.794.2174.1-145.57.2000108.1D8D8-D10 VanDerWaalsContact C-N 3.34Å; D8-D10 PolarHBondContact O-N 3.07Å
11E39.4Very low37.3Very low170 Ų170132.3 Ų132.379%0.79479%0.79SS**PPolyproline II helixtrans-62.6125.5168.7-105.9-175.6164.300107.9V9V9-E11 PolarHBondContact O-N 3.13Å
12P37.7Very low37.3Very low111 Ų111123.4 Ų123.472%0.72175%0.75SS**PPolyproline II helixtrans-62.4143.2179.226-32.8000109.6S14P12-S14 PolarHBondContact O-N 2.95Å; P12-S14 VanDerWaalsContact O-N 3.15Å
13P35.4Very low37.3Very low118 Ų118124.9 Ų124.977%0.76675%0.749SS**PPolyproline II helixtrans-56.7125.7-177.522.3-32.2000109.7I15P13-I15 PolarHBondContact O-N 2.96Å
14S36.2Very low37.6Very low109 Ų109121.5 Ų121.576%0.76274%0.738SS**  trans-61.6101.6173.938.90000108.9P12 I16P12-S14 PolarHBondContact O-N 2.95Å; P12-S14 VanDerWaalsContact O-N 3.15Å; S14-I16 VanDerWaalsContact C-N 3.35Å; S14-I16 PolarHBondContact O-N 3.25Å
15I36.5Very low37.8Very low124 Ų124123.1 Ų123.164%0.63673%0.731SS**  trans-69.197.3172.1-58.9174.6000106.6P13 F17P13-I15 PolarHBondContact O-N 2.96Å; I15-F17 HydrophobicContact CB-CE2 4.18Å; I15-F17 HydrophobicContact CB-CZ 4.36Å; I15-F17 HydrophobicContact CG2-CD1 4.23Å; I15-F17 HydrophobicContact CG2-CD2 4.17Å; I15-F17 HydrophobicContact CG2-CE1 3.94Å; I15-F17 HydrophobicContact CG2-CE2 3.87Å; I15-F17 HydrophobicContact CG2-CG 4.34Å; I15-F17 HydrophobicContact CG2-CZ 3.75Å; I15-F17 WeakPolarHBondContact O-CD2 3.35Å; I15-F17 PolarHBondContact O-N 3.37Å
16I36.1Very low37.8Very low156 Ų156121.5 Ų121.580%0.872%0.715SS**  trans-69.498.9167-58176.1000106.3S14S14-I16 VanDerWaalsContact C-N 3.35Å; S14-I16 PolarHBondContact O-N 3.25Å
17F34.8Very low37.7Very low154 Ų154120.7 Ų120.768%0.67570%0.702SS**PPolyproline II helixtrans-67.2140.4167.6-67.3-81.6000108.8I15I15-F17 HydrophobicContact CB-CE2 4.18Å; I15-F17 HydrophobicContact CB-CZ 4.36Å; I15-F17 HydrophobicContact CG2-CD1 4.23Å; I15-F17 HydrophobicContact CG2-CD2 4.17Å; I15-F17 HydrophobicContact CG2-CE1 3.94Å; I15-F17 HydrophobicContact CG2-CE2 3.87Å; I15-F17 HydrophobicContact CG2-CG 4.34Å; I15-F17 HydrophobicContact CG2-CZ 3.75Å; I15-F17 WeakPolarHBondContact O-CD2 3.35Å; I15-F17 PolarHBondContact O-N 3.37Å
18P36.8Very low38Very low108 Ų108122.6 Ų122.670%0.70171%0.709SS**PPolyproline II helixtrans-57.4142.9164.626.1-31.8000108.4V20P18-V20 PolarHBondContact O-N 3.19Å
19P36.2Very low38.3Very low116 Ų116119.9 Ų119.975%0.75370%0.699SS**PPolyproline II helixtrans-58.9135-173.822.9-31.7000110.5I21P19-I21 PolarHBondContact O-N 3.18Å
20V35.7Very low38.4Very low125 Ų125116.8 Ų116.876%0.75869%0.687SS**  trans-66.2105.6169.5175.50000106.6P18 T22P18-V20 PolarHBondContact O-N 3.19Å; V20-T22 PolarHBondContact O-N 3.02Å; V20-T22 VanDerWaalsContact O-N 3.07Å
21I38.4Very low38.8Very low135 Ų135114.3 Ų114.369%0.69269%0.688SS**  trans-66.9109.3175.1-57.9175.8000107.1P19 D25P19-I21 PolarHBondContact O-N 3.18Å; I21-D25 HydrophobicContact CG2-CB 4.28Å
22T37.8Very low39.2Very low63 Ų63109.8 Ų109.839%0.38769%0.687SS.*  trans-86.2156.2169.662.90000109V20 S24 D25V20-T22 PolarHBondContact O-N 3.02Å; V20-T22 VanDerWaalsContact O-N 3.07Å; T22-S24 WeakPolarHBondContact CB-OG 3.42Å; T22-S24 PolarHBondContact O-N 3.41Å; T22-S24 PolarHBondContact OG1-OG 3.21Å; T22-D25 PolarHBondContact N-OD2 3.2Å; T22-D25 WeakPolarHBondContact O-CB 3.42Å; T22-D25 PolarHBondContact O-N 3.41Å; T22-D25 PolarHBondContact OG1-OD2 3.5Å
23V39.5Very low39.9Very low131 Ų131110.4 Ų110.479%0.79468%0.675SS**G310 helixtrans-56.9-20.7178.9-178.80000112D25 L26V23-D25 VanDerWaalsContact C-N 3.34Å; V23-L26 HydrophobicContact CG1-CD1 4.47Å
24S41.7Very low40.9Very low101 Ų101109 Ų10971%0.70666%0.661SS**G310 helixtrans-72.4-15.817416.50000115.3T22T22-S24 WeakPolarHBondContact CB-OG 3.42Å; T22-S24 PolarHBondContact O-N 3.41Å; T22-S24 PolarHBondContact OG1-OG 3.21Å
25D40.8Very low41.6Very low101 Ų101109.1 Ų109.154%0.5465%0.652SS.*G310 helixtrans-922.7-178.8-58.2-50.6000113I21 T22 V23I21-D25 HydrophobicContact CG2-CB 4.28Å; T22-D25 PolarHBondContact N-OD2 3.2Å; T22-D25 WeakPolarHBondContact O-CB 3.42Å; T22-D25 PolarHBondContact O-N 3.41Å; T22-D25 PolarHBondContact OG1-OD2 3.5Å; V23-D25 VanDerWaalsContact C-N 3.34Å
26L40.8Very low42.3Very low95 Ų95108.6 Ų108.650%0.49765%0.646SS.*SBendtrans-79.9124.7174.9-79.8151.5000110.1V23 S28V23-L26 HydrophobicContact CG1-CD1 4.47Å; L26-S28 PolarHBondContact O-N 3.22Å
27P37.9Very low43.1Very low80 Ų80106.2 Ų106.252%0.51963%0.631SS.*  trans-59.2138.2174.121.7-29.5000110T29P27-T29 PolarHBondContact O-N 3.48Å
28S45.6Very low44.7Very low129 Ų129104.4 Ų104.490%0.90262%0.62SS**THydrogen-bonded Turntrans-68.825.3-170.180.10000115.4L26L26-S28 PolarHBondContact O-N 3.22Å
29T41.7Very low45.5Very low105 Ų105100.1 Ų100.164%0.64459%0.591SS**THydrogen-bonded Turntrans-106.917176.355.60000112.5P27 A31P27-T29 PolarHBondContact O-N 3.48Å; T29-A31 PolarHBondContact O-N 3.35Å
30A42.5Very low46.5Very low68 Ų6897 Ų9756%0.56257%0.566SS**  trans-76.234.9178.900000114.3
31A43.7Very low47.7Very low102 Ų10297.6 Ų97.684%0.84356%0.561SS**SBendtrans-95.396.416400000108.1T29T29-A31 PolarHBondContact O-N 3.35Å
32G47.7Very low48.5Very low74 Ų7496.4 Ų96.476%0.76355%0.552SS**  trans102.140164.100000117.7
33R51.5Low49.1Very low125 Ų12598.8 Ų98.847%0.47256%0.557SS.*  trans-75.6125.7166.8-63.2-171-168-173.85.3110L35R33-L35 PolarHBondContact O-N 3.32Å
34N56.8Low49.7Very low88 Ų8894.7 Ų94.747%0.47153%0.534SS..  trans-67131.1176.4-174.5-28.8000108.8K36 E37 W38N34-K36 PolarHBondContact O-N 3.14Å; N34-K36 WeakPolarHBondContact OD1-CB 3.32Å; N34-K36 PolarHBondContact OD1-N 3.14Å; N34-E37 HydrophobicContact CB-CB 4.45Å; N34-E37 HydrophobicContact CB-CG 4.1Å; N34-E37 PolarHBondContact O-N 3.14Å; N34-W38 PolarHBondContact O-N 3.26Å; N34-W38 VanDerWaalsContact O-N 3.16Å
35L51.7Low50Low112 Ų11298.5 Ų98.559%0.58655%0.547SS*.Hα-helixtrans-50.2-32.5176.617963.5000111.7R33 L39R33-L35 PolarHBondContact O-N 3.32Å; L35-L39 HydrophobicContact CD1-CD1 4.15Å; L35-L39 HydrophobicContact CD1-CG 4.18Å; L35-L39 HydrophobicContact CG-CD1 3.88Å; L35-L39 HydrophobicContact CG-CG 4.35Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.06Å
36K50.6Low50.2Low113 Ų113101.8 Ų101.849%0.49156%0.556SS.*Hα-helixtrans-60.8-47.8174.8-170.5-177.3176.8-175.50112.7N34 L39 Q40 L48N34-K36 PolarHBondContact O-N 3.14Å; N34-K36 WeakPolarHBondContact OD1-CB 3.32Å; N34-K36 PolarHBondContact OD1-N 3.14Å; K36-L39 PolarHBondContact O-N 3.26Å; K36-Q40 VanDerWaalsContact O-CB 3.26Å; K36-Q40 WeakPolarHBondContact O-CB 3.37Å; K36-Q40 PolarHBondContact O-N 3.4Å; K36-L48 HydrophobicContact CD-CD1 4.14Å; K36-L48 HydrophobicContact CG-CD1 3.66Å
37E53.4Low50.3Low106 Ų106101.7 Ų101.750%0.49556%0.561SS.*Hα-helixtrans-68.8-40.6-178.2-68.5167.4172.100111N34 Q40 E41N34-E37 HydrophobicContact CB-CB 4.45Å; N34-E37 HydrophobicContact CB-CG 4.1Å; N34-E37 PolarHBondContact O-N 3.14Å; E37-Q40 WeakPolarHBondContact O-CB 3.4Å; E37-Q40 PolarHBondContact O-N 2.92Å; E37-E41 PolarHBondContact O-N 3.15Å
38W67.8Low50.7Low116 Ų116100.4 Ų100.444%0.43955%0.549SS..Hα-helixtrans-65.9-43.1175.8-174.285.3000112.1N34 Q40 E41 Q42 F43N34-W38 PolarHBondContact O-N 3.26Å; N34-W38 VanDerWaalsContact O-N 3.16Å; W38-Q40 VanDerWaalsContact C-N 3.27Å; W38-Q40 PolarHBondContact O-N 3.16Å; W38-E41 PolarHBondContact O-N 2.94Å; W38-Q42 HydrophobicContact CD2-CG 4.08Å; W38-Q42 HydrophobicContact CE3-CG 4.43Å; W38-Q42 HydrophobicContact CH2-CG 4.26Å; W38-Q42 HydrophobicContact CZ2-CG 3.89Å; W38-Q42 WeakPolarHBondContact O-CB 3.44Å; W38-Q42 VanDerWaalsContact O-CG 3.25Å; W38-Q42 WeakPolarHBondContact O-CG 3.49Å; W38-Q42 PolarHBondContact O-N 3.38Å; W38-Q42 VanDerWaalsContact O-N 3.15Å; W38-F43 HydrophobicContact CH2-CE2 4.3Å; W38-F43 AromaticContact CZ3-CE2 3.94Å; W38-F43 HydrophobicContact CZ3-CE2 3.94Å
39L52.9Low50.8Low17 Ų17101.7 Ų101.79%0.08954%0.541CS..Hα-helixtrans-63.7-35.2174.9-74.5171000111.8L35 K36 F43 L91L35-L39 HydrophobicContact CD1-CD1 4.15Å; L35-L39 HydrophobicContact CD1-CG 4.18Å; L35-L39 HydrophobicContact CG-CD1 3.88Å; L35-L39 HydrophobicContact CG-CG 4.35Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.06Å; K36-L39 PolarHBondContact O-N 3.26Å; L39-F43 HydrophobicContact CD2-CD2 3.9Å; L39-F43 HydrophobicContact CD2-CE2 3.93Å; L39-F43 WeakPolarHBondContact O-CB 3.32Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 3.27Å; L39-L91 HydrophobicContact CD2-CD2 4.39Å
40Q57.5Low51.3Low51 Ų51105.6 Ų105.624%0.23855%0.552CS.*Hα-helixtrans-67.3-46.3178.4-172.6177-12.600111.7K36 E37 W38 Q42 C44 P47 L48K36-Q40 VanDerWaalsContact O-CB 3.26Å; K36-Q40 WeakPolarHBondContact O-CB 3.37Å; K36-Q40 PolarHBondContact O-N 3.4Å; E37-Q40 WeakPolarHBondContact O-CB 3.4Å; E37-Q40 PolarHBondContact O-N 2.92Å; W38-Q40 VanDerWaalsContact C-N 3.27Å; W38-Q40 PolarHBondContact O-N 3.16Å; Q40-Q42 VanDerWaalsContact C-N 3.33Å; Q40-Q42 PolarHBondContact O-N 2.97Å; Q40-C44 HydrophobicContact CG-CB 4.29Å; Q40-C44 WeakPolarHBondContact O-CB 3.25Å; Q40-C44 PolarHBondContact O-N 3.39Å; Q40-C44 VanDerWaalsContact O-O 3.14Å; Q40-P47 VanDerWaalsContact NE2-CA 3.31Å; Q40-L48 HydrophobicContact CB-CD1 4.14Å; Q40-L48 HydrophobicContact CG-CD1 4.1Å; Q40-L48 HydrophobicContact CG-CG 4.1Å; Q40-L48 VanDerWaalsContact NE2-N 3.18Å; Q40-L48 VanDerWaalsContact OE1-CD1 3.28Å
41E61.3Low52.2Low137 Ų137105.8 Ų105.864%0.6454%0.544SS*.Hα-helixtrans-65-33.9177.3-74.6178.9169.600113.5E37 W38E37-E41 PolarHBondContact O-N 3.15Å; W38-E41 PolarHBondContact O-N 2.94Å
42Q54.9Low53.8Low111 Ų111102.9 Ų102.952%0.51951%0.514SS..Hα-helixtrans-88.5-23.9-174.4-65.3-57.1-67.800113.7W38 Q40W38-Q42 HydrophobicContact CD2-CG 4.08Å; W38-Q42 HydrophobicContact CE3-CG 4.43Å; W38-Q42 HydrophobicContact CH2-CG 4.26Å; W38-Q42 HydrophobicContact CZ2-CG 3.89Å; W38-Q42 WeakPolarHBondContact O-CB 3.44Å; W38-Q42 VanDerWaalsContact O-CG 3.25Å; W38-Q42 WeakPolarHBondContact O-CG 3.49Å; W38-Q42 PolarHBondContact O-N 3.38Å; W38-Q42 VanDerWaalsContact O-N 3.15Å; Q40-Q42 VanDerWaalsContact C-N 3.33Å; Q40-Q42 PolarHBondContact O-N 2.97Å
43F50.5Low55.5Low112 Ų112102.4 Ų102.449%0.49149%0.493SS..Hα-helixtrans-136.5-4.5-167.2-55.7-74.7000115.3W38 L39W38-F43 HydrophobicContact CH2-CE2 4.3Å; W38-F43 AromaticContact CZ3-CE2 3.94Å; W38-F43 HydrophobicContact CZ3-CE2 3.94Å; L39-F43 HydrophobicContact CD2-CD2 3.9Å; L39-F43 HydrophobicContact CD2-CE2 3.93Å; L39-F43 WeakPolarHBondContact O-CB 3.32Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 3.27Å
44C51.8Low57.3Low46 Ų46102 Ų10231%0.31149%0.491SS..  trans-122.1114.1179.2-60.90000111.3Q40 K46Q40-C44 HydrophobicContact CG-CB 4.29Å; Q40-C44 WeakPolarHBondContact O-CB 3.25Å; Q40-C44 PolarHBondContact O-N 3.39Å; Q40-C44 VanDerWaalsContact O-O 3.14Å; C44-K46 WeakPolarHBondContact CB-O 3.5Å; C44-K46 PolarHBondContact O-N 3.39Å; C44-K46 VanDerWaalsContact O-N 3.1Å
45D49Very low58.9Low180 Ų18098 Ų9896%0.96347%0.47SS*.SBendtrans-68.6-3.1174.2-67.1-38.9000113.5
46K45.2Very low60.7Low171 Ų17193 Ų9374%0.74344%0.443SS*.SBendtrans-140.7151.4-178-68.7-177.5-176.5174.40111.7C44C44-K46 WeakPolarHBondContact CB-O 3.5Å; C44-K46 PolarHBondContact O-N 3.39Å; C44-K46 VanDerWaalsContact O-N 3.1Å
47P41.8Very low62.5Low93 Ų9390.7 Ų90.760%0.60444%0.437SS*.  trans-62.9146.9177.124.6-31.2000111.9Q40 E49Q40-P47 VanDerWaalsContact NE2-CA 3.31Å; P47-E49 PolarHBondContact O-N 3.12Å
48L47.8Very low64.5Low52 Ų5285.9 Ų85.927%0.27242%0.415SS..  trans-6670.4173.3-71.8163.5000110.6K36 Q40K36-L48 HydrophobicContact CD-CD1 4.14Å; K36-L48 HydrophobicContact CG-CD1 3.66Å; Q40-L48 HydrophobicContact CB-CD1 4.14Å; Q40-L48 HydrophobicContact CG-CD1 4.1Å; Q40-L48 HydrophobicContact CG-CG 4.1Å; Q40-L48 VanDerWaalsContact NE2-N 3.18Å; Q40-L48 VanDerWaalsContact OE1-CD1 3.28Å
49E45.9Very low65.7Low156 Ų15680.4 Ų80.473%0.72939%0.394SS*.  trans-60.1158.5151.3-66.2-169.7169.500107.7P47 D51P47-E49 PolarHBondContact O-N 3.12Å; E49-D51 PolarHBondContact O-N 3.05Å
50Q53.5Low67.6Low188 Ų18885.1 Ų85.188%0.87941%0.412SS*.  trans-62.682.6178.2-83.8170.8-45.300110D52Q50-D52 PolarHBondContact O-N 3.4Å
51D61.7Low69.3Low72 Ų7287.7 Ų87.739%0.38543%0.431SS..  trans-60.3105.5180-105.6-25.3000108.6E49 M53 R79E49-D51 PolarHBondContact O-N 3.05Å; D51-M53 WeakPolarHBondContact O-CG 3.45Å; D51-M53 PolarHBondContact O-N 3.06Å; D51-R79 IonicContact OD1-NH2 2.65Å; D51-R79 PolarHBondContact OD1-NH2 3.4Å
52D76.7Confident70.9Confident41 Ų4182.3 Ų82.322%0.21941%0.412CS..  trans-43.3102.3-172.6-166.8-25.7000113.8Q50 R54 F76Q50-D52 PolarHBondContact O-N 3.4Å; D52-R54 VanDerWaalsContact C-N 3.28Å; D52-R54 VanDerWaalsContact CG-NE 3.33Å; D52-R54 PolarHBondContact O-N 3.33Å; D52-R54 VanDerWaalsContact OD1-CB 3.28Å; D52-R54 WeakPolarHBondContact OD1-CB 3.47Å; D52-R54 WeakPolarHBondContact OD1-CG 3.42Å; D52-R54 IonicContact OD1-CZ 3.17Å; D52-R54 PolarHBondContact OD1-N 3.03Å; D52-R54 VanDerWaalsContact OD1-N 3.14Å; D52-R54 IonicContact OD1-NE 2.91Å; D52-R54 PolarHBondContact OD1-NE 2.9Å; D52-R54 IonicContact OD2-CZ 3.38Å; D52-R54 IonicContact OD2-NE 3.93Å; D52-R54 PolarHBondContact OD2-NE 3.38Å; D52-R54 IonicContact OD2-NH2 2.76Å; D52-R54 PolarHBondContact OD2-NH2 2.97Å; D52-F76 HydrophobicContact CB-CE1 4.26Å; D52-F76 HydrophobicContact CB-CZ 4.35Å; D52-F76 WeakPolarHBondContact OD2-CZ 3.39Å
53M83Confident72.9Confident64 Ų6480 Ų8032%0.31540%0.403SS..THydrogen-bonded Turntrans-86.53.4-170-43.369.733.200112.8D51 L55 H56 N57D51-M53 WeakPolarHBondContact O-CG 3.45Å; D51-M53 PolarHBondContact O-N 3.06Å; M53-L55 PolarHBondContact O-N 3.22Å; M53-H56 PolarHBondContact O-N 3.34Å; M53-N57 WeakPolarHBondContact O-CB 3.47Å; M53-N57 PolarHBondContact O-N 3.09Å; M53-N57 PolarHBondContact O-ND2 3.39Å
54R88.6Confident75.2Confident116 Ų11676.3 Ų76.344%0.43839%0.388SS..Hα-helixtrans-56.6-39-174.2-74.1-178.3-71.6160.5-2.4111.6D52 A58 L70 F76D52-R54 VanDerWaalsContact C-N 3.28Å; D52-R54 VanDerWaalsContact CG-NE 3.33Å; D52-R54 PolarHBondContact O-N 3.33Å; D52-R54 VanDerWaalsContact OD1-CB 3.28Å; D52-R54 WeakPolarHBondContact OD1-CB 3.47Å; D52-R54 WeakPolarHBondContact OD1-CG 3.42Å; D52-R54 IonicContact OD1-CZ 3.17Å; D52-R54 PolarHBondContact OD1-N 3.03Å; D52-R54 VanDerWaalsContact OD1-N 3.14Å; D52-R54 IonicContact OD1-NE 2.91Å; D52-R54 PolarHBondContact OD1-NE 2.9Å; D52-R54 IonicContact OD2-CZ 3.38Å; D52-R54 IonicContact OD2-NE 3.93Å; D52-R54 PolarHBondContact OD2-NE 3.38Å; D52-R54 IonicContact OD2-NH2 2.76Å; D52-R54 PolarHBondContact OD2-NH2 2.97Å; R54-A58 WeakPolarHBondContact O-CB 3.38Å; R54-A58 PolarHBondContact O-N 3.24Å; R54-L70 HydrophobicContact CB-CD1 3.72Å; R54-L70 HydrophobicContact CB-CD2 4.16Å; R54-F76 HydrophobicContact CB-CE1 4.41Å; R54-F76 HydrophobicContact CB-CZ 4.24Å; R54-F76 VanDerWaalsContact NH2-CZ 3.33Å
55L90.7Very high77.3Confident3 Ų378.8 Ų78.82%0.01640%0.398CS..Hα-helixtrans-65.1-47.6178.4-169.568.6000112.2M53 A58 A59 L67 L70 L71 F76 P95M53-L55 PolarHBondContact O-N 3.22Å; L55-A58 PolarHBondContact O-N 3.5Å; L55-A59 WeakPolarHBondContact O-CB 3.3Å; L55-A59 PolarHBondContact O-N 3.37Å; L55-L67 HydrophobicContact CD1-CD2 3.57Å; L55-L67 HydrophobicContact CG-CD2 4.34Å; L55-L70 HydrophobicContact CD1-CB 4.44Å; L55-L71 HydrophobicContact CD1-CD1 4.02Å; L55-L71 HydrophobicContact CD1-CD2 3.95Å; L55-L71 HydrophobicContact CD1-CG 3.77Å; L55-L71 HydrophobicContact CD2-CD2 4.27Å; L55-F76 HydrophobicContact CB-CD1 3.97Å; L55-F76 HydrophobicContact CB-CE1 4.26Å; L55-P95 HydrophobicContact CD2-CB 4.45Å; L55-P95 HydrophobicContact CD2-CG 3.68Å; L55-P95 HydrophobicContact CG-CB 4.21Å; L55-P95 HydrophobicContact CG-CG 3.84Å
56H90.4Very high79.6Confident7 Ų772.5 Ų72.53%0.03237%0.367CS..Hα-helixtrans-66.2-38.6177.9-62.677.7000112.3M53 A59 Y60 E82 S84 C93 P95 I98M53-H56 PolarHBondContact O-N 3.34Å; H56-A59 PolarHBondContact O-N 2.88Å; H56-Y60 WeakPolarHBondContact O-CB 3.46Å; H56-Y60 PolarHBondContact O-N 2.91Å; H56-E82 PolarHBondContact NE2-O 3.27Å; H56-E82 VanDerWaalsContact NE2-O 3.15Å; H56-S84 PolarHBondContact CD2-OG 2.95Å; H56-S84 PolarHBondContact CE1-OG 2.96Å; H56-S84 PolarHBondContact ND1-OG 3.45Å; H56-S84 PolarHBondContact NE2-OG 3.21Å; H56-C93 PolarHBondContact CD2-O 2.92Å; H56-C93 VanDerWaalsContact CD2-O 3.24Å; H56-C93 PolarHBondContact NE2-O 3.38Å; H56-C93 VanDerWaalsContact NE2-O 3.12Å; H56-P95 WeakPolarHBondContact NE2-CD 3.47Å; H56-I98 HydrophobicContact CB-CD1 3.7Å
57N88.9Confident82Confident66 Ų6664.3 Ų64.335%0.35333%0.331SS..Hα-helixtrans-66.7-43.2177.1-72.9-26.8000112M53 A59 Y60 V61 W86M53-N57 WeakPolarHBondContact O-CB 3.47Å; M53-N57 PolarHBondContact O-N 3.09Å; M53-N57 PolarHBondContact O-ND2 3.39Å; N57-A59 VanDerWaalsContact C-N 3.33Å; N57-A59 PolarHBondContact O-N 3.08Å; N57-Y60 PolarHBondContact O-N 3.28Å; N57-V61 WeakPolarHBondContact O-CG2 3.49Å; N57-V61 PolarHBondContact O-N 3.17Å; N57-W86 PolarHBondContact OD1-NE1 3.07Å
58A93.8Very high84.7Confident5 Ų565.2 Ų65.24%0.04132%0.322CS..Hα-helixtrans-61.6-42.717500000111.3R54 L55 Y60 V61 G62 D63 T66 L67R54-A58 WeakPolarHBondContact O-CB 3.38Å; R54-A58 PolarHBondContact O-N 3.24Å; L55-A58 PolarHBondContact O-N 3.5Å; A58-Y60 VanDerWaalsContact C-N 3.31Å; A58-Y60 PolarHBondContact O-N 3.04Å; A58-V61 PolarHBondContact O-N 3.45Å; A58-G62 PolarHBondContact O-N 2.87Å; A58-D63 HydrophobicContact CB-CB 4.47Å; A58-D63 PolarHBondContact O-N 2.94Å; A58-T66 HydrophobicContact CB-CG2 3.75Å; A58-L67 HydrophobicContact CB-CD2 3.74Å; A58-L67 HydrophobicContact CB-CG 3.91Å
59A94.3Very high86.9Confident0 Ų068 Ų680%034%0.337CS..Hα-helixtrans-62.4-34.5174.100000113.4L55 H56 N57 L67 P95 I98 A99 H104 L111L55-A59 WeakPolarHBondContact O-CB 3.3Å; L55-A59 PolarHBondContact O-N 3.37Å; H56-A59 PolarHBondContact O-N 2.88Å; N57-A59 VanDerWaalsContact C-N 3.33Å; N57-A59 PolarHBondContact O-N 3.08Å; A59-L67 HydrophobicContact CB-CD2 4.36Å; A59-P95 HydrophobicContact CB-CB 3.98Å; A59-P95 WeakPolarHBondContact CB-O 3.49Å; A59-I98 HydrophobicContact CB-CB 4.44Å; A59-I98 HydrophobicContact CB-CG2 4.23Å; A59-A99 HydrophobicContact CB-CB 4.25Å; A59-A99 WeakPolarHBondContact O-CA 3.15Å; A59-H104 PolarHBondContact O-CD2 3.24Å; A59-L111 HydrophobicContact CB-CD1 4.35Å
60Y91.7Very high89.2Confident116 Ų11661 Ų6146%0.45531%0.305SS..Hα-helixtrans-71.1-45.9178176.6-105.6000112.8H56 N57 A58 G62 W86 I98 H104H56-Y60 WeakPolarHBondContact O-CB 3.46Å; H56-Y60 PolarHBondContact O-N 2.91Å; N57-Y60 PolarHBondContact O-N 3.28Å; A58-Y60 VanDerWaalsContact C-N 3.31Å; A58-Y60 PolarHBondContact O-N 3.04Å; Y60-G62 VanDerWaalsContact C-N 3.28Å; Y60-W86 HydrophobicContact CD1-CH2 4.07Å; Y60-W86 AromaticContact CD1-CZ2 3.58Å; Y60-W86 HydrophobicContact CD1-CZ2 3.58Å; Y60-W86 AromaticContact CD2-CH2 3.72Å; Y60-W86 HydrophobicContact CD2-CH2 3.72Å; Y60-W86 AromaticContact CD2-CZ2 3.8Å; Y60-W86 HydrophobicContact CD2-CZ2 3.8Å; Y60-W86 HydrophobicContact CD2-CZ3 4.37Å; Y60-W86 AromaticContact CE1-CH2 3.76Å; Y60-W86 HydrophobicContact CE1-CH2 3.76Å; Y60-W86 AromaticContact CE1-CZ2 3.65Å; Y60-W86 HydrophobicContact CE1-CZ2 3.65Å; Y60-W86 AromaticContact CE2-CH2 3.37Å; Y60-W86 HydrophobicContact CE2-CH2 3.37Å; Y60-W86 AromaticContact CE2-CZ2 3.87Å; Y60-W86 HydrophobicContact CE2-CZ2 3.87Å; Y60-W86 HydrophobicContact CE2-CZ3 4.07Å; Y60-W86 HydrophobicContact CG-CH2 4.05Å; Y60-W86 AromaticContact CG-CZ2 3.65Å; Y60-W86 HydrophobicContact CG-CZ2 3.65Å; Y60-W86 AromaticContact CZ-CH2 3.39Å; Y60-W86 AromaticContact CZ-CZ2 3.8Å; Y60-I98 HydrophobicContact CD2-CG2 4.14Å; Y60-I98 HydrophobicContact CG-CG2 4.35Å; Y60-H104 PolarHBondContact O-CD2 3.01Å; Y60-H104 PolarHBondContact O-NE2 3Å
61V93.6Very high91.2Very high105 Ų10552.3 Ų52.364%0.63627%0.265SS*.Hα-helixtrans-75.2-23.1-179.9179.50000111.4N57 A58 H104N57-V61 WeakPolarHBondContact O-CG2 3.49Å; N57-V61 PolarHBondContact O-N 3.17Å; A58-V61 PolarHBondContact O-N 3.45Å; V61-H104 VanDerWaalsContact C-NE2 3.31Å; V61-H104 PolarHBondContact O-CE1 3.17Å; V61-H104 PolarHBondContact O-NE2 3.15Å
62G95.3Very high92.7Very high24 Ų2455.6 Ų55.625%0.24728%0.278CS..THydrogen-bonded Turntrans86.923.9-176.400000112.9A58 Y60 L64 H104 C107A58-G62 PolarHBondContact O-N 2.87Å; Y60-G62 VanDerWaalsContact C-N 3.28Å; G62-L64 PolarHBondContact O-N 2.76Å; G62-L64 VanDerWaalsContact O-N 3.07Å; G62-H104 WeakPolarHBondContact CA-CD2 3.21Å; G62-H104 VanDerWaalsContact CA-CG 3.42Å; G62-H104 PolarHBondContact N-CD2 3.12Å; G62-H104 PolarHBondContact N-NE2 2.91Å; G62-C107 VanDerWaalsContact C-SG 3.56Å
63D97.3Very high93.4Very high63 Ų6357.9 Ų57.934%0.33729%0.287SS..  trans-80.887.6179.8-174-10.1000110.5A58 D65 T66 L67A58-D63 HydrophobicContact CB-CB 4.47Å; A58-D63 PolarHBondContact O-N 2.94Å; D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 3.14Å; D63-D65 PolarHBondContact OD1-N 3.21Å; D63-T66 VanDerWaalsContact CG-CB 3.41Å; D63-T66 PolarHBondContact O-N 3.1Å; D63-T66 PolarHBondContact OD1-N 2.95Å; D63-T66 PolarHBondContact OD1-OG1 3.08Å; D63-T66 VanDerWaalsContact OD2-CB 3.23Å; D63-T66 WeakPolarHBondContact OD2-CB 3.29Å; D63-T66 PolarHBondContact OD2-OG1 3.03Å; D63-L67 WeakPolarHBondContact O-CG 3.41Å; D63-L67 PolarHBondContact O-N 2.8Å
64L97.7Very high93.7Very high34 Ų3460 Ų6018%0.17830%0.3CS..Hα-helixtrans-62.5-34.3-179.9-179.961.6000112.6G62 L67 R68 A106 Y110G62-L64 PolarHBondContact O-N 2.76Å; G62-L64 VanDerWaalsContact O-N 3.07Å; L64-L67 PolarHBondContact O-N 2.65Å; L64-R68 WeakPolarHBondContact O-CB 3.46Å; L64-R68 VanDerWaalsContact O-CG 3.3Å; L64-R68 WeakPolarHBondContact O-CG 3.33Å; L64-R68 PolarHBondContact O-N 2.93Å; L64-A106 HydrophobicContact CD2-CB 4.12Å; L64-Y110 HydrophobicContact CD1-CD1 4.06Å; L64-Y110 HydrophobicContact CD1-CD2 4.46Å; L64-Y110 HydrophobicContact CD1-CG 3.76Å
65D97.5Very high93.7Very high98 Ų9858.4 Ų58.452%0.52430%0.3SS..Hα-helixtrans-73.2-40.1-176.9-66.7-38.6000110.6D63 R68 N69D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 3.14Å; D63-D65 PolarHBondContact OD1-N 3.21Å; D65-R68 WeakPolarHBondContact O-CB 3.24Å; D65-R68 PolarHBondContact O-N 3.34Å; D65-R68 IonicContact OD1-NH1 3.4Å; D65-R68 PolarHBondContact OD1-NH1 2.96Å; D65-N69 PolarHBondContact O-N 3.01Å; D65-N69 PolarHBondContact O-ND2 2.76Å
66T96.3Very high93.7Very high48 Ų4858.4 Ų58.429%0.29430%0.3SS..Hα-helixtrans-63.1-42.2170.3-65.90000111.5A58 D63 R68 N69 L70A58-T66 HydrophobicContact CB-CG2 3.75Å; D63-T66 VanDerWaalsContact CG-CB 3.41Å; D63-T66 PolarHBondContact O-N 3.1Å; D63-T66 PolarHBondContact OD1-N 2.95Å; D63-T66 PolarHBondContact OD1-OG1 3.08Å; D63-T66 VanDerWaalsContact OD2-CB 3.23Å; D63-T66 WeakPolarHBondContact OD2-CB 3.29Å; D63-T66 PolarHBondContact OD2-OG1 3.03Å; T66-R68 VanDerWaalsContact C-N 3.29Å; T66-R68 PolarHBondContact O-N 3.1Å; T66-N69 PolarHBondContact O-N 3.16Å; T66-L70 HydrophobicContact CG2-CD1 3.65Å; T66-L70 HydrophobicContact CG2-CG 4.02Å; T66-L70 WeakPolarHBondContact O-CB 3.18Å; T66-L70 VanDerWaalsContact O-CG 3.24Å; T66-L70 WeakPolarHBondContact O-CG 3.37Å; T66-L70 PolarHBondContact O-N 3.11Å
67L96Very high93.6Very high0 Ų064.7 Ų64.70%032%0.323CS..Hα-helixtrans-58.2-42.2173.5-73.6179.5000112.2L55 A58 A59 D63 L64 L71 C107 Y110 L111L55-L67 HydrophobicContact CD1-CD2 3.57Å; L55-L67 HydrophobicContact CG-CD2 4.34Å; A58-L67 HydrophobicContact CB-CD2 3.74Å; A58-L67 HydrophobicContact CB-CG 3.91Å; A59-L67 HydrophobicContact CB-CD2 4.36Å; D63-L67 WeakPolarHBondContact O-CG 3.41Å; D63-L67 PolarHBondContact O-N 2.8Å; L64-L67 PolarHBondContact O-N 2.65Å; L67-L71 WeakPolarHBondContact O-CB 3.38Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 2.88Å; L67-L71 VanDerWaalsContact O-N 3.08Å; L67-C107 HydrophobicContact CD1-CB 3.64Å; L67-C107 VanDerWaalsContact CD1-SG 3.59Å; L67-Y110 HydrophobicContact CB-CD1 4.18Å; L67-Y110 HydrophobicContact CB-CE1 4.28Å; L67-L111 HydrophobicContact CD1-CD1 4.34Å; L67-L111 HydrophobicContact CD1-CD2 4.47Å; L67-L111 HydrophobicContact CD1-CG 4.29Å; L67-L111 HydrophobicContact CD2-CD2 4.31Å
68R97.2Very high93.6Very high111 Ų11170.9 Ų70.942%0.41934%0.342SS..Hα-helixtrans-62.2-44.2177.8-78.9168.8172.9169.7-3.7112.3L64 D65 T66 Q72 Y110L64-R68 WeakPolarHBondContact O-CB 3.46Å; L64-R68 VanDerWaalsContact O-CG 3.3Å; L64-R68 WeakPolarHBondContact O-CG 3.33Å; L64-R68 PolarHBondContact O-N 2.93Å; D65-R68 WeakPolarHBondContact O-CB 3.24Å; D65-R68 PolarHBondContact O-N 3.34Å; D65-R68 IonicContact OD1-NH1 3.4Å; D65-R68 PolarHBondContact OD1-NH1 2.96Å; T66-R68 VanDerWaalsContact C-N 3.29Å; T66-R68 PolarHBondContact O-N 3.1Å; R68-Q72 WeakPolarHBondContact O-CG 3.39Å; R68-Q72 PolarHBondContact O-NE2 2.71Å; R68-Y110 WeakPolarHBondContact CA-OH 3.41Å; R68-Y110 HydrophobicContact CB-CE1 4.49Å; R68-Y110 HydrophobicContact CG-CD1 4.43Å; R68-Y110 HydrophobicContact CG-CD2 4.27Å; R68-Y110 HydrophobicContact CG-CE1 3.91Å; R68-Y110 HydrophobicContact CG-CE2 3.74Å
69N96Very high93.3Very high110 Ų11072.4 Ų72.459%0.58835%0.346SS*.Hα-helixtrans-67.6-49.2-179.7-68.2-25.1000111.4D65 T66 L71 Q72D65-N69 PolarHBondContact O-N 3.01Å; D65-N69 PolarHBondContact O-ND2 2.76Å; T66-N69 PolarHBondContact O-N 3.16Å; N69-L71 VanDerWaalsContact C-N 3.34Å; N69-L71 PolarHBondContact O-N 3.22Å; N69-Q72 WeakPolarHBondContact O-CB 3.39Å; N69-Q72 PolarHBondContact O-N 3.17Å
70L94.2Very high93.2Very high11 Ų1172.8 Ų72.86%0.05835%0.348CS..Hα-helixtrans-62.1-41.7-179-66.5172.6000111.7R54 L55 T66 Q72 E73 F76R54-L70 HydrophobicContact CB-CD1 3.72Å; R54-L70 HydrophobicContact CB-CD2 4.16Å; L55-L70 HydrophobicContact CD1-CB 4.44Å; T66-L70 HydrophobicContact CG2-CD1 3.65Å; T66-L70 HydrophobicContact CG2-CG 4.02Å; T66-L70 WeakPolarHBondContact O-CB 3.18Å; T66-L70 VanDerWaalsContact O-CG 3.24Å; T66-L70 WeakPolarHBondContact O-CG 3.37Å; T66-L70 PolarHBondContact O-N 3.11Å; L70-Q72 PolarHBondContact O-N 3.2Å; L70-E73 WeakPolarHBondContact O-CB 3.29Å; L70-E73 PolarHBondContact O-N 3.05Å; L70-F76 HydrophobicContact CB-CD2 4Å; L70-F76 HydrophobicContact CB-CE2 4.34Å; L70-F76 HydrophobicContact CB-CG 4.16Å; L70-F76 HydrophobicContact CD2-CD2 4.12Å; L70-F76 HydrophobicContact CD2-CE2 3.6Å; L70-F76 HydrophobicContact CD2-CZ 3.87Å; L70-F76 HydrophobicContact CG-CE2 4.49Å; L70-F76 WeakPolarHBondContact O-CB 3.39Å; L70-F76 WeakPolarHBondContact O-CD2 3.34Å
71L94.4Very high93.2Very high4 Ų469.1 Ų69.12%0.02134%0.337CS..THydrogen-bonded Turntrans-75.91-178.5-70.7167.9000114.3L55 L67 N69 E73 F76 I80 Y110 L111 Q114L55-L71 HydrophobicContact CD1-CD1 4.02Å; L55-L71 HydrophobicContact CD1-CD2 3.95Å; L55-L71 HydrophobicContact CD1-CG 3.77Å; L55-L71 HydrophobicContact CD2-CD2 4.27Å; L67-L71 WeakPolarHBondContact O-CB 3.38Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 2.88Å; L67-L71 VanDerWaalsContact O-N 3.08Å; N69-L71 VanDerWaalsContact C-N 3.34Å; N69-L71 PolarHBondContact O-N 3.22Å; L71-E73 VanDerWaalsContact C-N 3.31Å; L71-F76 HydrophobicContact CD2-CB 4.29Å; L71-I80 HydrophobicContact CD1-CD1 4.26Å; L71-I80 HydrophobicContact CD2-CB 4.49Å; L71-I80 HydrophobicContact CD2-CD1 4.12Å; L71-I80 HydrophobicContact CD2-CG1 4.33Å; L71-Y110 HydrophobicContact CB-CE1 4.43Å; L71-Y110 HydrophobicContact CD1-CD1 4.25Å; L71-Y110 HydrophobicContact CD1-CE1 3.66Å; L71-L111 HydrophobicContact CD1-CD2 3.92Å; L71-Q114 HydrophobicContact CD1-CB 4.25Å; L71-Q114 HydrophobicContact CD1-CG 4.11Å
72Q93.8Very high92.9Very high141 Ų14168.1 Ų68.166%0.65933%0.325SS*.THydrogen-bonded Turntrans-74.5-24.2162.7-60.5-51.8-52.700112.2R68 N69 L70R68-Q72 WeakPolarHBondContact O-CG 3.39Å; R68-Q72 PolarHBondContact O-NE2 2.71Å; N69-Q72 WeakPolarHBondContact O-CB 3.39Å; N69-Q72 PolarHBondContact O-N 3.17Å; L70-Q72 PolarHBondContact O-N 3.2Å
73E91.7Very high92.3Very high90 Ų9071.3 Ų71.342%0.42133%0.332SS..SBendtrans-82.2130.1178.9-56.7175.8-154.100109.9L70 L71 D75 F76 R77L70-E73 WeakPolarHBondContact O-CB 3.29Å; L70-E73 PolarHBondContact O-N 3.05Å; L71-E73 VanDerWaalsContact C-N 3.31Å; E73-D75 PolarHBondContact O-N 3.06Å; E73-D75 VanDerWaalsContact O-N 3.16Å; E73-F76 HydrophobicContact CB-CD2 4.05Å; E73-F76 HydrophobicContact CG-CD2 4.49Å; E73-F76 PolarHBondContact O-N 3.43Å; E73-F76 WeakPolarHBondContact OE2-CE2 3.3Å; E73-R77 PolarHBondContact O-N 3Å; E73-R77 VanDerWaalsContact O-N 3.14Å
74D88.8Confident91.1Very high109 Ų10968.7 Ų68.758%0.58332%0.319SS*.Hα-helixtrans-59.1-29.5-178-79.7-26.7000113.1R78D74-R78 WeakPolarHBondContact O-CG 3.49Å; D74-R78 PolarHBondContact O-N 3.22Å; D74-R78 VanDerWaalsContact O-N 3.13Å
75D88.9Confident89.5Confident82 Ų8269.6 Ų69.644%0.43933%0.325SS..Hα-helixtrans-64-54.4177.7-169.666000111.2E73 R77 R78 R79E73-D75 PolarHBondContact O-N 3.06Å; E73-D75 VanDerWaalsContact O-N 3.16Å; D75-R77 VanDerWaalsContact C-N 3.28Å; D75-R77 PolarHBondContact O-N 3.48Å; D75-R78 PolarHBondContact O-N 2.98Å; D75-R79 VanDerWaalsContact O-CG 3.25Å; D75-R79 WeakPolarHBondContact O-CG 3.49Å; D75-R79 PolarHBondContact O-N 3.42Å; D75-R79 WeakPolarHBondContact OD2-CD 3.36Å; D75-R79 IonicContact OD2-NH1 3.96Å; D75-R79 PolarHBondContact OD2-NH1 3.21Å
76F89.2Confident87.4Confident3 Ų366.4 Ų66.41%0.01331%0.306CS..Hα-helixtrans-62.2-36.1178.1-77-66.7000112.6D52 R54 L55 L70 L71 E73 R78 R79 I80D52-F76 HydrophobicContact CB-CE1 4.26Å; D52-F76 HydrophobicContact CB-CZ 4.35Å; D52-F76 WeakPolarHBondContact OD2-CZ 3.39Å; R54-F76 HydrophobicContact CB-CE1 4.41Å; R54-F76 HydrophobicContact CB-CZ 4.24Å; R54-F76 VanDerWaalsContact NH2-CZ 3.33Å; L55-F76 HydrophobicContact CB-CD1 3.97Å; L55-F76 HydrophobicContact CB-CE1 4.26Å; L70-F76 HydrophobicContact CB-CD2 4Å; L70-F76 HydrophobicContact CB-CE2 4.34Å; L70-F76 HydrophobicContact CB-CG 4.16Å; L70-F76 HydrophobicContact CD2-CD2 4.12Å; L70-F76 HydrophobicContact CD2-CE2 3.6Å; L70-F76 HydrophobicContact CD2-CZ 3.87Å; L70-F76 HydrophobicContact CG-CE2 4.49Å; L70-F76 WeakPolarHBondContact O-CB 3.39Å; L70-F76 WeakPolarHBondContact O-CD2 3.34Å; L71-F76 HydrophobicContact CD2-CB 4.29Å; E73-F76 HydrophobicContact CB-CD2 4.05Å; E73-F76 HydrophobicContact CG-CD2 4.49Å; E73-F76 PolarHBondContact O-N 3.43Å; E73-F76 WeakPolarHBondContact OE2-CE2 3.3Å; F76-R78 PolarHBondContact O-N 3.37Å; F76-R79 CarbonylContact O-C 3.49Å; F76-R79 PolarHBondContact O-N 2.98Å; F76-R79 VanDerWaalsContact O-N 3.14Å; F76-I80 PolarHBondContact O-N 3.32Å; F76-I80 VanDerWaalsContact O-N 3.14Å
77R89.5Confident85Confident138 Ų13869.5 Ų69.552%0.52133%0.328SS..Hα-helixtrans-64.1-40.5178.3-172.1174.9175.9170.80.3112.2E73 D75 R79 I80E73-R77 PolarHBondContact O-N 3Å; E73-R77 VanDerWaalsContact O-N 3.14Å; D75-R77 VanDerWaalsContact C-N 3.28Å; D75-R77 PolarHBondContact O-N 3.48Å; R77-R79 PolarHBondContact O-N 2.85Å; R77-I80 WeakPolarHBondContact O-CG2 3.39Å; R77-I80 PolarHBondContact O-N 3.28Å
78R88.5Confident82.6Confident196 Ų19673.1 Ų73.174%0.7435%0.353SS*.Hα-helixtrans-65.3-27.4175-72.5175.4-169.4151.97.3112.4D74 D75 F76D74-R78 WeakPolarHBondContact O-CG 3.49Å; D74-R78 PolarHBondContact O-N 3.22Å; D74-R78 VanDerWaalsContact O-N 3.13Å; D75-R78 PolarHBondContact O-N 2.98Å; F76-R78 PolarHBondContact O-N 3.37Å
79R88.8Confident80.5Confident38 Ų3871.3 Ų71.314%0.14337%0.369CS..THydrogen-bonded Turntrans-97.37-174.8-59.3175.562.7-159.8-1.7113.9D51 D75 F76 R77 N81 E82D51-R79 IonicContact OD1-NH2 2.65Å; D51-R79 PolarHBondContact OD1-NH2 3.4Å; D75-R79 VanDerWaalsContact O-CG 3.25Å; D75-R79 WeakPolarHBondContact O-CG 3.49Å; D75-R79 PolarHBondContact O-N 3.42Å; D75-R79 WeakPolarHBondContact OD2-CD 3.36Å; D75-R79 IonicContact OD2-NH1 3.96Å; D75-R79 PolarHBondContact OD2-NH1 3.21Å; F76-R79 CarbonylContact O-C 3.49Å; F76-R79 PolarHBondContact O-N 2.98Å; F76-R79 VanDerWaalsContact O-N 3.14Å; R77-R79 PolarHBondContact O-N 2.85Å; R79-N81 PolarHBondContact O-N 3.04Å; R79-N81 VanDerWaalsContact O-N 3.08Å; R79-E82 HydrophobicContact CB-CB 4.42Å; R79-E82 HydrophobicContact CB-CG 4.07Å; R79-E82 WeakPolarHBondContact CB-OE2 3.29Å; R79-E82 VanDerWaalsContact CG-CD 3.47Å; R79-E82 HydrophobicContact CG-CG 4.4Å; R79-E82 WeakPolarHBondContact CG-OE1 3.26Å; R79-E82 WeakPolarHBondContact CG-OE2 3.42Å; R79-E82 IonicContact CZ-OE2 2.94Å; R79-E82 IonicContact NE-OE2 3.63Å; R79-E82 PolarHBondContact NE-OE2 2.95Å; R79-E82 IonicContact NH2-OE2 3.8Å; R79-E82 WeakPolarHBondContact O-CB 3.35Å; R79-E82 PolarHBondContact O-N 2.92Å
80I91.3Very high78.5Confident8 Ų868.3 Ų68.34%0.04136%0.356CS..THydrogen-bonded Turntrans-58-27.9-176.6-163.5170.6000113.6L71 F76 R77 P95 L111 Q114 A116L71-I80 HydrophobicContact CD1-CD1 4.26Å; L71-I80 HydrophobicContact CD2-CB 4.49Å; L71-I80 HydrophobicContact CD2-CD1 4.12Å; L71-I80 HydrophobicContact CD2-CG1 4.33Å; F76-I80 PolarHBondContact O-N 3.32Å; F76-I80 VanDerWaalsContact O-N 3.14Å; R77-I80 WeakPolarHBondContact O-CG2 3.39Å; R77-I80 PolarHBondContact O-N 3.28Å; I80-P95 VanDerWaalsContact O-CD 3.29Å; I80-P95 WeakPolarHBondContact O-CD 3.4Å; I80-L111 HydrophobicContact CD1-CD2 4.33Å; I80-L111 HydrophobicContact CG1-CD2 4.36Å; I80-Q114 HydrophobicContact CD1-CB 3.65Å; I80-A116 HydrophobicContact CD1-CB 4.07Å; I80-A116 HydrophobicContact CG1-CB 4.13Å
81N91.5Very high77.2Confident39 Ų3969.8 Ų69.821%0.20936%0.364CS..THydrogen-bonded Turntrans-99.50.4178.9-69.6-25.3000113.6R79 A116 E117 L120R79-N81 PolarHBondContact O-N 3.04Å; R79-N81 VanDerWaalsContact O-N 3.08Å; N81-A116 WeakPolarHBondContact OD1-CA 3.1Å; N81-E117 WeakPolarHBondContact ND2-CG 3.09Å; N81-E117 PolarHBondContact ND2-OE1 3.39Å; N81-E117 PolarHBondContact OD1-N 3.42Å; N81-L120 HydrophobicContact CB-CD1 3.77Å
82E86.9Confident76.2Confident83 Ų8370 Ų7039%0.38837%0.365SS..  trans-69.6138.8179.8-72.5-176.1172.700111.7H56 R79H56-E82 PolarHBondContact NE2-O 3.27Å; H56-E82 VanDerWaalsContact NE2-O 3.15Å; R79-E82 HydrophobicContact CB-CB 4.42Å; R79-E82 HydrophobicContact CB-CG 4.07Å; R79-E82 WeakPolarHBondContact CB-OE2 3.29Å; R79-E82 VanDerWaalsContact CG-CD 3.47Å; R79-E82 HydrophobicContact CG-CG 4.4Å; R79-E82 WeakPolarHBondContact CG-OE1 3.26Å; R79-E82 WeakPolarHBondContact CG-OE2 3.42Å; R79-E82 IonicContact CZ-OE2 2.94Å; R79-E82 IonicContact NE-OE2 3.63Å; R79-E82 PolarHBondContact NE-OE2 2.95Å; R79-E82 IonicContact NH2-OE2 3.8Å; R79-E82 WeakPolarHBondContact O-CB 3.35Å; R79-E82 PolarHBondContact O-N 2.92Å
83K82.4Confident75.7Confident91 Ų9163.3 Ų63.340%0.39633%0.334SS..  trans-92114175.7-63.7175.9-176173.50108.2P92 C93 T94 V121K83-P92 HydrophobicContact CB-CB 3.85Å; K83-C93 WeakPolarHBondContact CA-O 3.41Å; K83-T94 HydrophobicContact CG-CG2 4.1Å; K83-V121 WeakPolarHBondContact CE-O 3.49Å; K83-V121 PolarHBondContact NZ-O 3.21Å
84S72.5Confident75.7Confident8 Ų859.4 Ų59.46%0.05632%0.316CS..BIsolated β-bridgetrans-107.9146.7175.5700000111H56 W86 P92 C93H56-S84 PolarHBondContact CD2-OG 2.95Å; H56-S84 PolarHBondContact CE1-OG 2.96Å; H56-S84 PolarHBondContact ND1-OG 3.45Å; H56-S84 PolarHBondContact NE2-OG 3.21Å; S84-W86 PolarHBondContact O-N 3.41Å; S84-W86 VanDerWaalsContact O-N 3.14Å; S84-P92 WeakPolarHBondContact O-CA 3.42Å; S84-C93 PolarHBondContact N-O 3.44Å; S84-C93 PolarHBondContact O-N 2.96Å
85V63.8Low75.9Confident53 Ų5354.2 Ų54.232%0.32129%0.288SS..  trans-75.598.4173179.50000107.7P92V85-P92 HydrophobicContact CG2-CG 3.91Å
86W54.6Low76.3Confident32 Ų3250.4 Ų50.412%0.12127%0.268CS..  trans-73.3139.1178.5-173.367.1000111.2N57 Y60 S84 C88 C90N57-W86 PolarHBondContact OD1-NE1 3.07Å; Y60-W86 HydrophobicContact CD1-CH2 4.07Å; Y60-W86 AromaticContact CD1-CZ2 3.58Å; Y60-W86 HydrophobicContact CD1-CZ2 3.58Å; Y60-W86 AromaticContact CD2-CH2 3.72Å; Y60-W86 HydrophobicContact CD2-CH2 3.72Å; Y60-W86 AromaticContact CD2-CZ2 3.8Å; Y60-W86 HydrophobicContact CD2-CZ2 3.8Å; Y60-W86 HydrophobicContact CD2-CZ3 4.37Å; Y60-W86 AromaticContact CE1-CH2 3.76Å; Y60-W86 HydrophobicContact CE1-CH2 3.76Å; Y60-W86 AromaticContact CE1-CZ2 3.65Å; Y60-W86 HydrophobicContact CE1-CZ2 3.65Å; Y60-W86 AromaticContact CE2-CH2 3.37Å; Y60-W86 HydrophobicContact CE2-CH2 3.37Å; Y60-W86 AromaticContact CE2-CZ2 3.87Å; Y60-W86 HydrophobicContact CE2-CZ2 3.87Å; Y60-W86 HydrophobicContact CE2-CZ3 4.07Å; Y60-W86 HydrophobicContact CG-CH2 4.05Å; Y60-W86 AromaticContact CG-CZ2 3.65Å; Y60-W86 HydrophobicContact CG-CZ2 3.65Å; Y60-W86 AromaticContact CZ-CH2 3.39Å; Y60-W86 AromaticContact CZ-CZ2 3.8Å; S84-W86 PolarHBondContact O-N 3.41Å; S84-W86 VanDerWaalsContact O-N 3.14Å; W86-C88 HydrophobicContact CD2-CB 4.39Å; W86-C88 HydrophobicContact CE3-CB 3.55Å; W86-C88 HydrophobicContact CH2-CB 3.99Å; W86-C88 WeakPolarHBondContact CH2-SG 3.42Å; W86-C88 WeakPolarHBondContact CZ2-SG 3.31Å; W86-C88 HydrophobicContact CZ3-CB 3.34Å; W86-C88 WeakPolarHBondContact CZ3-SG 3.34Å; W86-C88 PolarHBondContact O-N 3.38Å; W86-C90 HydrophobicContact CE3-CB 4.07Å
87C45.3Very low76.5Confident113 Ų11351.7 Ų51.776%0.76427%0.273SS*.THydrogen-bonded Turntrans-58.49.1-164.6-67.60000118
88C46.5Very low76.6Confident76 Ų7645.5 Ų45.551%0.51425%0.25SC..THydrogen-bonded Turntrans-112.724.1-173.5-52.30000113.2W86 C90W86-C88 HydrophobicContact CD2-CB 4.39Å; W86-C88 HydrophobicContact CE3-CB 3.55Å; W86-C88 HydrophobicContact CH2-CB 3.99Å; W86-C88 WeakPolarHBondContact CH2-SG 3.42Å; W86-C88 WeakPolarHBondContact CZ2-SG 3.31Å; W86-C88 HydrophobicContact CZ3-CB 3.34Å; W86-C88 WeakPolarHBondContact CZ3-SG 3.34Å; W86-C88 PolarHBondContact O-N 3.38Å; C88-C90 PolarHBondContact O-N 3.44Å
89G51.9Low77Confident73 Ų7336.1 Ų36.175%0.75322%0.215SC*.THydrogen-bonded Turntrans65.616.1-171.900000113.1
90C54.3Low77.4Confident47 Ų4734.3 Ų34.332%0.31821%0.208SC..PPolyproline II helixtrans-78.7144.5173.9-69.70000109.5W86 C88W86-C90 HydrophobicContact CE3-CB 4.07Å; C88-C90 PolarHBondContact O-N 3.44Å
91L66.6Low77.6Confident42 Ų4236.1 Ų36.122%0.2222%0.219CC..PPolyproline II helixtrans-66155.6178.6-63158.9000110.7L39 C93 V123 K124L39-L91 HydrophobicContact CD2-CD2 4.39Å; L91-C93 PolarHBondContact O-N 3.48Å; L91-C93 PolarHBondContact O-SG 2.99Å; L91-V123 HydrophobicContact CB-CG2 3.41Å; L91-V123 VanDerWaalsContact CB-CG2 3.41Å; L91-V123 HydrophobicContact CD1-CG2 3.48Å; L91-V123 VanDerWaalsContact CD1-CG2 3.48Å; L91-V123 HydrophobicContact CD2-CG2 3.42Å; L91-V123 VanDerWaalsContact CD2-CG2 3.42Å; L91-V123 HydrophobicContact CG-CG2 3.55Å; L91-K124 HydrophobicContact CD1-CB 4.43Å; L91-K124 HydrophobicContact CD1-CD 3.52Å; L91-K124 VanDerWaalsContact CD1-CE 3.41Å; L91-K124 HydrophobicContact CD1-CG 3.64Å
92P74.6Confident77.8Confident7 Ų735.8 Ų35.85%0.04522%0.222CC..SBendtrans-48.3126.2177.3-25.128.6000112.6K83 S84 V85 V123K83-P92 HydrophobicContact CB-CB 3.85Å; S84-P92 WeakPolarHBondContact O-CA 3.42Å; V85-P92 HydrophobicContact CG2-CG 3.91Å; P92-V123 HydrophobicContact CB-CG1 4.26Å; P92-V123 HydrophobicContact CG-CG1 3.98Å
93C82.3Confident78.3Confident2 Ų233 Ų331%0.01422%0.215CC..BIsolated β-bridgetrans-148158.4-177.353.40000114.8H56 K83 S84 L91 R97 I98H56-C93 PolarHBondContact CD2-O 2.92Å; H56-C93 VanDerWaalsContact CD2-O 3.24Å; H56-C93 PolarHBondContact NE2-O 3.38Å; H56-C93 VanDerWaalsContact NE2-O 3.12Å; K83-C93 WeakPolarHBondContact CA-O 3.41Å; S84-C93 PolarHBondContact N-O 3.44Å; S84-C93 PolarHBondContact O-N 2.96Å; L91-C93 PolarHBondContact O-N 3.48Å; L91-C93 PolarHBondContact O-SG 2.99Å; C93-R97 PolarHBondContact SG-NH2 3.26Å; C93-I98 VanDerWaalsContact SG-CG1 3.54Å
94T91.4Very high79Confident7 Ų731.2 Ų31.24%0.04321%0.208CC..  trans-82.2155178.264.20000111.7K83 L96 R97 I98 L120K83-T94 HydrophobicContact CG-CG2 4.1Å; T94-L96 PolarHBondContact O-N 2.9Å; T94-R97 PolarHBondContact O-N 2.83Å; T94-R97 PolarHBondContact OG1-N 3.08Å; T94-I98 WeakPolarHBondContact O-CG1 3.28Å; T94-I98 PolarHBondContact O-N 3.05Å; T94-I98 VanDerWaalsContact O-N 3.08Å; T94-L120 HydrophobicContact CG2-CB 4.3Å; T94-L120 HydrophobicContact CG2-CD1 3.87Å
95P93.9Very high80.3Confident0 Ų031.9 Ų31.90%021%0.214CC..Hα-helixtrans-55.3-39.1173.4-22.733.1000112.2L55 H56 A59 I80 R97 I98 A99 L111L55-P95 HydrophobicContact CD2-CB 4.45Å; L55-P95 HydrophobicContact CD2-CG 3.68Å; L55-P95 HydrophobicContact CG-CB 4.21Å; L55-P95 HydrophobicContact CG-CG 3.84Å; H56-P95 WeakPolarHBondContact NE2-CD 3.47Å; A59-P95 HydrophobicContact CB-CB 3.98Å; A59-P95 WeakPolarHBondContact CB-O 3.49Å; I80-P95 VanDerWaalsContact O-CD 3.29Å; I80-P95 WeakPolarHBondContact O-CD 3.4Å; P95-R97 PolarHBondContact O-N 3.07Å; P95-I98 PolarHBondContact O-N 2.59Å; P95-A99 PolarHBondContact O-N 3.4Å; P95-L111 HydrophobicContact CB-CD1 4.12Å; P95-L111 HydrophobicContact CB-CD2 4.2Å
96L96.8Very high81.9Confident3 Ų332.3 Ų32.32%0.01622%0.223CC..Hα-helixtrans-59.2-47.4177.4179.563.1000111.9T94 I98 A99 A100 V108 L111 I112 A116 A128 L144T94-L96 PolarHBondContact O-N 2.9Å; L96-I98 VanDerWaalsContact C-N 3.32Å; L96-I98 PolarHBondContact O-N 3.29Å; L96-A99 PolarHBondContact O-N 3.23Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 3.48Å; L96-V108 HydrophobicContact CD1-CB 4.35Å; L96-V108 HydrophobicContact CD1-CG1 3.89Å; L96-L111 HydrophobicContact CD1-CB 4.16Å; L96-I112 HydrophobicContact CD1-CD1 4.19Å; L96-I112 HydrophobicContact CD1-CG1 3.77Å; L96-I112 HydrophobicContact CD2-CG1 4.21Å; L96-A116 HydrophobicContact CB-CB 4.13Å; L96-A116 HydrophobicContact CD2-CB 4.03Å; L96-A128 HydrophobicContact CD2-CB 4.38Å; L96-A128 HydrophobicContact CG-CB 4.1Å; L96-L144 HydrophobicContact CD1-CD2 4.32Å; L96-L144 HydrophobicContact CD2-CD2 4.37Å; L96-L144 HydrophobicContact CG-CD2 4.5Å
97R92.9Very high84Confident30 Ų3030.9 Ų30.911%0.11322%0.218CC..Hα-helixtrans-64.5-38.8178.3-166.4-153.473.1114.16.9111.3C93 T94 P95 A100 T101 D122 A128 V131C93-R97 PolarHBondContact SG-NH2 3.26Å; T94-R97 PolarHBondContact O-N 2.83Å; T94-R97 PolarHBondContact OG1-N 3.08Å; P95-R97 PolarHBondContact O-N 3.07Å; R97-A100 PolarHBondContact O-N 3.24Å; R97-T101 WeakPolarHBondContact O-CB 3.33Å; R97-T101 PolarHBondContact O-N 3.47Å; R97-T101 PolarHBondContact O-OG1 3.17Å; R97-D122 IonicContact CZ-OD2 3.52Å; R97-D122 IonicContact NH1-OD2 3.56Å; R97-D122 PolarHBondContact NH1-OD2 3.47Å; R97-A128 HydrophobicContact CB-CB 4.44Å; R97-V131 HydrophobicContact CG-CG2 3.86Å
98I92.9Very high86.6Confident7 Ų725.5 Ų25.54%0.03618%0.182CC..Hα-helixtrans-61.7-52.1176.7-69.9175.7000110.6H56 A59 Y60 C93 T94 P95 L96 A100 T101 A102H56-I98 HydrophobicContact CB-CD1 3.7Å; A59-I98 HydrophobicContact CB-CB 4.44Å; A59-I98 HydrophobicContact CB-CG2 4.23Å; Y60-I98 HydrophobicContact CD2-CG2 4.14Å; Y60-I98 HydrophobicContact CG-CG2 4.35Å; C93-I98 VanDerWaalsContact SG-CG1 3.54Å; T94-I98 WeakPolarHBondContact O-CG1 3.28Å; T94-I98 PolarHBondContact O-N 3.05Å; T94-I98 VanDerWaalsContact O-N 3.08Å; P95-I98 PolarHBondContact O-N 2.59Å; L96-I98 VanDerWaalsContact C-N 3.32Å; L96-I98 PolarHBondContact O-N 3.29Å; I98-A100 VanDerWaalsContact C-N 3.28Å; I98-A100 PolarHBondContact O-N 2.97Å; I98-T101 WeakPolarHBondContact O-CB 3.29Å; I98-T101 PolarHBondContact O-N 2.93Å; I98-T101 VanDerWaalsContact O-N 3.11Å; I98-A102 PolarHBondContact O-N 3.31Å
99A96.8Very high89.1Confident0 Ų023.9 Ų23.90%017%0.174CC..Hα-helixtrans-57.7-41.6176.900000111.8A59 P95 L96 A102 G103 H104 C107 V108 L111A59-A99 HydrophobicContact CB-CB 4.25Å; A59-A99 WeakPolarHBondContact O-CA 3.15Å; P95-A99 PolarHBondContact O-N 3.4Å; L96-A99 PolarHBondContact O-N 3.23Å; A99-A102 PolarHBondContact O-N 3.08Å; A99-G103 PolarHBondContact O-N 3.2Å; A99-H104 HydrophobicContact CB-CB 4.49Å; A99-H104 PolarHBondContact O-N 3.12Å; A99-C107 HydrophobicContact CB-CB 3.93Å; A99-V108 HydrophobicContact CB-CG2 3.79Å; A99-L111 HydrophobicContact CB-CD1 4.06Å
100A96.9Very high91.3Very high0 Ų022 Ų220%014%0.144CC..Hα-helixtrans-66.1-37.3176.300000113L96 R97 I98 A102 G103 V108 A128 V131 A132 H137 L144L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 3.48Å; R97-A100 PolarHBondContact O-N 3.24Å; I98-A100 VanDerWaalsContact C-N 3.28Å; I98-A100 PolarHBondContact O-N 2.97Å; A100-A102 VanDerWaalsContact C-N 3.35Å; A100-G103 PolarHBondContact O-N 3.18Å; A100-V108 HydrophobicContact CB-CG2 4.12Å; A100-A128 HydrophobicContact CB-CB 4.01Å; A100-V131 HydrophobicContact CB-CG2 4.19Å; A100-A132 HydrophobicContact CB-CB 4.34Å; A100-H137 PolarHBondContact O-CD2 2.9Å; A100-L144 HydrophobicContact CB-CD1 4.11Å
101T94.5Very high93.4Very high45 Ų4519.8 Ų19.828%0.27613%0.129SC..Hα-helixtrans-65.8-38175.7-570000111.6R97 I98 V131 H137R97-T101 WeakPolarHBondContact O-CB 3.33Å; R97-T101 PolarHBondContact O-N 3.47Å; R97-T101 PolarHBondContact O-OG1 3.17Å; I98-T101 WeakPolarHBondContact O-CB 3.29Å; I98-T101 PolarHBondContact O-N 2.93Å; I98-T101 VanDerWaalsContact O-N 3.11Å; T101-V131 WeakPolarHBondContact OG1-CG2 3.33Å; T101-H137 PolarHBondContact O-NE2 3.23Å
102A95.2Very high94.9Very high33 Ų3319.5 Ų19.527%0.27313%0.127SC..Hα-helixtrans-86.9-9-179.100000113.8I98 A99 A100 H104I98-A102 PolarHBondContact O-N 3.31Å; A99-A102 PolarHBondContact O-N 3.08Å; A100-A102 VanDerWaalsContact C-N 3.35Å; A102-H104 VanDerWaalsContact CB-CD2 3.48Å; A102-H104 WeakPolarHBondContact CB-CD2 3.44Å
103G97.6Very high96Very high24 Ų2422.8 Ų22.825%0.24716%0.156CC..THydrogen-bonded Turntrans83.717.3177.200000115.2A99 A100 A105 H137 C140A99-G103 PolarHBondContact O-N 3.2Å; A100-G103 PolarHBondContact O-N 3.18Å; G103-A105 VanDerWaalsContact C-N 3.35Å; G103-A105 PolarHBondContact O-N 3.4Å; G103-H137 WeakPolarHBondContact CA-CD2 3.43Å; G103-H137 PolarHBondContact N-CD2 2.97Å; G103-H137 PolarHBondContact N-NE2 3.38Å; G103-C140 VanDerWaalsContact C-SG 3.55Å
104H98.4Very high96.7Very high54 Ų5425 Ų2525%0.2517%0.166CC..  trans-83.275.1-176.8-61.8-48.9000111.9A59 Y60 V61 G62 A99 A102 A106 C107 V108A59-H104 PolarHBondContact O-CD2 3.24Å; Y60-H104 PolarHBondContact O-CD2 3.01Å; Y60-H104 PolarHBondContact O-NE2 3Å; V61-H104 VanDerWaalsContact C-NE2 3.31Å; V61-H104 PolarHBondContact O-CE1 3.17Å; V61-H104 PolarHBondContact O-NE2 3.15Å; G62-H104 WeakPolarHBondContact CA-CD2 3.21Å; G62-H104 VanDerWaalsContact CA-CG 3.42Å; G62-H104 PolarHBondContact N-CD2 3.12Å; G62-H104 PolarHBondContact N-NE2 2.91Å; A99-H104 HydrophobicContact CB-CB 4.49Å; A99-H104 PolarHBondContact O-N 3.12Å; A102-H104 VanDerWaalsContact CB-CD2 3.48Å; A102-H104 WeakPolarHBondContact CB-CD2 3.44Å; H104-A106 VanDerWaalsContact C-N 3.29Å; H104-A106 PolarHBondContact O-N 2.83Å; H104-C107 HydrophobicContact CB-CB 3.9Å; H104-C107 WeakPolarHBondContact O-CA 3.23Å; H104-C107 WeakPolarHBondContact O-CB 3.49Å; H104-C107 PolarHBondContact O-N 3.08Å; H104-V108 PolarHBondContact O-N 2.71Å
105A98.6Very high97Very high21 Ų2126.9 Ų26.917%0.17419%0.186CC..Hα-helixtrans-51.8-41.8-174.900000114G103 C107 V108 A109 D139 I143G103-A105 VanDerWaalsContact C-N 3.35Å; G103-A105 PolarHBondContact O-N 3.4Å; A105-C107 VanDerWaalsContact C-N 3.34Å; A105-C107 PolarHBondContact O-N 3.37Å; A105-V108 WeakPolarHBondContact O-CB 3.34Å; A105-V108 PolarHBondContact O-N 2.65Å; A105-A109 PolarHBondContact O-N 2.72Å; A105-D139 HydrophobicContact CB-CB 3.86Å; A105-I143 HydrophobicContact CB-CD1 3.73Å; A105-I143 WeakPolarHBondContact O-CD1 2.88Å
106A98.6Very high97.1Very high62 Ų6227.2 Ų27.251%0.51219%0.189SC..Hα-helixtrans-65.3-36.917800000112.7L64 H104 Y110L64-A106 HydrophobicContact CD2-CB 4.12Å; H104-A106 VanDerWaalsContact C-N 3.29Å; H104-A106 PolarHBondContact O-N 2.83Å; A106-Y110 WeakPolarHBondContact O-CB 3.41Å; A106-Y110 PolarHBondContact O-N 3.01Å
107C98.6Very high97.1Very high2 Ų232.1 Ų32.11%0.01421%0.212CC..Hα-helixtrans-68.8-42.2174-66.40000111G62 L67 A99 H104 A105 Y110 L111G62-C107 VanDerWaalsContact C-SG 3.56Å; L67-C107 HydrophobicContact CD1-CB 3.64Å; L67-C107 VanDerWaalsContact CD1-SG 3.59Å; A99-C107 HydrophobicContact CB-CB 3.93Å; H104-C107 HydrophobicContact CB-CB 3.9Å; H104-C107 WeakPolarHBondContact O-CA 3.23Å; H104-C107 WeakPolarHBondContact O-CB 3.49Å; H104-C107 PolarHBondContact O-N 3.08Å; A105-C107 VanDerWaalsContact C-N 3.34Å; A105-C107 PolarHBondContact O-N 3.37Å; C107-Y110 PolarHBondContact O-N 3.06Å; C107-L111 WeakPolarHBondContact O-CB 3.47Å; C107-L111 WeakPolarHBondContact O-CD1 3.4Å; C107-L111 WeakPolarHBondContact O-CG 3.47Å; C107-L111 PolarHBondContact O-N 3.47Å
108V98.8Very high97.2Very high0 Ų031.8 Ų31.80%021%0.213CC..Hα-helixtrans-57-52.4175171.70000110.7L96 A99 A100 H104 A105 Y110 L111 I112 C140 I143 L144L96-V108 HydrophobicContact CD1-CB 4.35Å; L96-V108 HydrophobicContact CD1-CG1 3.89Å; A99-V108 HydrophobicContact CB-CG2 3.79Å; A100-V108 HydrophobicContact CB-CG2 4.12Å; H104-V108 PolarHBondContact O-N 2.71Å; A105-V108 WeakPolarHBondContact O-CB 3.34Å; A105-V108 PolarHBondContact O-N 2.65Å; V108-Y110 VanDerWaalsContact C-N 3.32Å; V108-Y110 PolarHBondContact O-N 3.15Å; V108-L111 PolarHBondContact O-N 3.34Å; V108-I112 HydrophobicContact CG1-CD1 3.86Å; V108-I112 VanDerWaalsContact O-CG1 3.29Å; V108-I112 WeakPolarHBondContact O-CG1 3.28Å; V108-I112 PolarHBondContact O-N 3.01Å; V108-I112 VanDerWaalsContact O-N 3.09Å; V108-C140 HydrophobicContact CG2-CB 4.5Å; V108-I143 HydrophobicContact CG1-CB 4.39Å; V108-I143 HydrophobicContact CG1-CG2 3.82Å; V108-L144 HydrophobicContact CG1-CD2 4.01Å; V108-L144 HydrophobicContact CG1-CG 3.95Å
109A98.8Very high97.2Very high42 Ų4234.8 Ų34.835%0.34723%0.229SC..Hα-helixtrans-58.5-44.1178.600000112.1A105 A113 I143A105-A109 PolarHBondContact O-N 2.72Å; A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 3.27Å; A109-I143 HydrophobicContact CB-CD1 4.24Å; A109-I143 HydrophobicContact CB-CG2 4.06Å
110Y98.6Very high96.9Very high34 Ų3436.7 Ų36.713%0.13324%0.239CC..Hα-helixtrans-66-45.9179.6-177.4-105.4000112.6L64 L67 R68 L71 A106 C107 V108 I112 A113 Q114L64-Y110 HydrophobicContact CD1-CD1 4.06Å; L64-Y110 HydrophobicContact CD1-CD2 4.46Å; L64-Y110 HydrophobicContact CD1-CG 3.76Å; L67-Y110 HydrophobicContact CB-CD1 4.18Å; L67-Y110 HydrophobicContact CB-CE1 4.28Å; R68-Y110 WeakPolarHBondContact CA-OH 3.41Å; R68-Y110 HydrophobicContact CB-CE1 4.49Å; R68-Y110 HydrophobicContact CG-CD1 4.43Å; R68-Y110 HydrophobicContact CG-CD2 4.27Å; R68-Y110 HydrophobicContact CG-CE1 3.91Å; R68-Y110 HydrophobicContact CG-CE2 3.74Å; L71-Y110 HydrophobicContact CB-CE1 4.43Å; L71-Y110 HydrophobicContact CD1-CD1 4.25Å; L71-Y110 HydrophobicContact CD1-CE1 3.66Å; A106-Y110 WeakPolarHBondContact O-CB 3.41Å; A106-Y110 PolarHBondContact O-N 3.01Å; C107-Y110 PolarHBondContact O-N 3.06Å; V108-Y110 VanDerWaalsContact C-N 3.32Å; V108-Y110 PolarHBondContact O-N 3.15Å; Y110-I112 VanDerWaalsContact C-N 3.32Å; Y110-I112 PolarHBondContact O-N 3.43Å; Y110-A113 WeakPolarHBondContact O-CB 3.43Å; Y110-A113 PolarHBondContact O-N 3.07Å; Y110-A113 VanDerWaalsContact O-N 3.12Å; Y110-Q114 HydrophobicContact CD1-CG 4.29Å; Y110-Q114 HydrophobicContact CE1-CG 3.8Å; Y110-Q114 HydrophobicContact CE2-CG 4.04Å; Y110-Q114 WeakPolarHBondContact O-CG 3.46Å; Y110-Q114 PolarHBondContact O-N 2.99Å
111L98.4Very high96.4Very high0 Ų038.5 Ų38.50%025%0.25CS..Hα-helixtrans-60.2-42.3179.2-72.7166.8000111.5A59 L67 L71 I80 P95 L96 A99 C107 V108 Q114 G115 A116A59-L111 HydrophobicContact CB-CD1 4.35Å; L67-L111 HydrophobicContact CD1-CD1 4.34Å; L67-L111 HydrophobicContact CD1-CD2 4.47Å; L67-L111 HydrophobicContact CD1-CG 4.29Å; L67-L111 HydrophobicContact CD2-CD2 4.31Å; L71-L111 HydrophobicContact CD1-CD2 3.92Å; I80-L111 HydrophobicContact CD1-CD2 4.33Å; I80-L111 HydrophobicContact CG1-CD2 4.36Å; P95-L111 HydrophobicContact CB-CD1 4.12Å; P95-L111 HydrophobicContact CB-CD2 4.2Å; L96-L111 HydrophobicContact CD1-CB 4.16Å; A99-L111 HydrophobicContact CB-CD1 4.06Å; C107-L111 WeakPolarHBondContact O-CB 3.47Å; C107-L111 WeakPolarHBondContact O-CD1 3.4Å; C107-L111 WeakPolarHBondContact O-CG 3.47Å; C107-L111 PolarHBondContact O-N 3.47Å; V108-L111 PolarHBondContact O-N 3.34Å; L111-Q114 PolarHBondContact O-N 3.05Å; L111-G115 PolarHBondContact O-N 2.9Å; L111-A116 HydrophobicContact CB-CB 4.16Å; L111-A116 WeakPolarHBondContact O-CB 3.13Å; L111-A116 PolarHBondContact O-N 3.06Å
112I98.4Very high95.7Very high36 Ų3636.7 Ų36.719%0.18524%0.239CC..Hα-helixtrans-61-45.8174.1-66.9167.2000110.6L96 V108 Y110 Q114 G115 V118 I143 L144 A147L96-I112 HydrophobicContact CD1-CD1 4.19Å; L96-I112 HydrophobicContact CD1-CG1 3.77Å; L96-I112 HydrophobicContact CD2-CG1 4.21Å; V108-I112 HydrophobicContact CG1-CD1 3.86Å; V108-I112 VanDerWaalsContact O-CG1 3.29Å; V108-I112 WeakPolarHBondContact O-CG1 3.28Å; V108-I112 PolarHBondContact O-N 3.01Å; V108-I112 VanDerWaalsContact O-N 3.09Å; Y110-I112 VanDerWaalsContact C-N 3.32Å; Y110-I112 PolarHBondContact O-N 3.43Å; I112-Q114 PolarHBondContact O-N 2.88Å; I112-G115 PolarHBondContact O-N 2.89Å; I112-V118 HydrophobicContact CG1-CG2 4.33Å; I112-V118 HydrophobicContact CG2-CG2 4.49Å; I112-I143 HydrophobicContact CD1-CG2 3.89Å; I112-L144 HydrophobicContact CD1-CD2 3.97Å; I112-A147 HydrophobicContact CD1-CB 3.86Å; I112-A147 HydrophobicContact CG2-CB 3.76Å
113A97.9Very high94.9Very high77 Ų7737.6 Ų37.664%0.63624%0.241SC*.Hα-helixtrans-61.9-24.5178.100000113.4A109 Y110 G115A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 3.27Å; Y110-A113 WeakPolarHBondContact O-CB 3.43Å; Y110-A113 PolarHBondContact O-N 3.07Å; Y110-A113 VanDerWaalsContact O-N 3.12Å; A113-G115 VanDerWaalsContact C-N 3.35Å
114Q97.4Very high93.9Very high49 Ų4941.7 Ų41.723%0.22925%0.252CS..THydrogen-bonded Turntrans-892.9175.2-62.7-53.3-50.600113.9L71 I80 Y110 L111 I112L71-Q114 HydrophobicContact CD1-CB 4.25Å; L71-Q114 HydrophobicContact CD1-CG 4.11Å; I80-Q114 HydrophobicContact CD1-CB 3.65Å; Y110-Q114 HydrophobicContact CD1-CG 4.29Å; Y110-Q114 HydrophobicContact CE1-CG 3.8Å; Y110-Q114 HydrophobicContact CE2-CG 4.04Å; Y110-Q114 WeakPolarHBondContact O-CG 3.46Å; Y110-Q114 PolarHBondContact O-N 2.99Å; L111-Q114 PolarHBondContact O-N 3.05Å; I112-Q114 PolarHBondContact O-N 2.88Å
115G96Very high93.2Very high46 Ų4639.5 Ų39.547%0.47424%0.244SC..THydrogen-bonded Turntrans98.419.2174.700000115L111 I112 A113 E117L111-G115 PolarHBondContact O-N 2.9Å; I112-G115 PolarHBondContact O-N 2.89Å; A113-G115 VanDerWaalsContact C-N 3.35Å; G115-E117 PolarHBondContact O-N 3.37Å
116A97Very high92.6Very high7 Ų739.7 Ų39.76%0.05824%0.241CC..  trans-62.8130171.200000110.8I80 N81 L96 L111 V118I80-A116 HydrophobicContact CD1-CB 4.07Å; I80-A116 HydrophobicContact CG1-CB 4.13Å; N81-A116 WeakPolarHBondContact OD1-CA 3.1Å; L96-A116 HydrophobicContact CB-CB 4.13Å; L96-A116 HydrophobicContact CD2-CB 4.03Å; L111-A116 HydrophobicContact CB-CB 4.16Å; L111-A116 WeakPolarHBondContact O-CB 3.13Å; L111-A116 PolarHBondContact O-N 3.06Å; A116-V118 PolarHBondContact O-N 2.89Å
117E95.8Very high92.3Very high106 Ų10636.9 Ų36.950%0.49522%0.218SC..  trans-73.1124.1176.7-77.5172.1-13400110.9N81 G115 L120N81-E117 WeakPolarHBondContact ND2-CG 3.09Å; N81-E117 PolarHBondContact ND2-OE1 3.39Å; N81-E117 PolarHBondContact OD1-N 3.42Å; G115-E117 PolarHBondContact O-N 3.37Å; E117-L120 HydrophobicContact CB-CD1 3.68Å; E117-L120 HydrophobicContact CB-CD2 4.47Å; E117-L120 HydrophobicContact CB-CG 3.62Å; E117-L120 WeakPolarHBondContact OE2-CD2 3.4Å
118V95Very high92.2Very high22 Ų2236.9 Ų36.913%0.13322%0.217CC..THydrogen-bonded Turntrans-74.7-37.2-166.8-176.40000113.2I112 A116 L144 A147 A149I112-V118 HydrophobicContact CG1-CG2 4.33Å; I112-V118 HydrophobicContact CG2-CG2 4.49Å; A116-V118 PolarHBondContact O-N 2.89Å; V118-L144 HydrophobicContact CG1-CD2 3.88Å; V118-A147 HydrophobicContact CG2-CB 4.11Å; V118-A149 HydrophobicContact CG1-CB 3.48Å; V118-A149 VanDerWaalsContact CG1-CB 3.48Å
119D93.1Very high92.1Very high70 Ų7036.9 Ų36.937%0.37422%0.217SC..THydrogen-bonded Turntrans-100.416.1-173.4-72.4-35.4000114V121 A149 D150D119-V121 PolarHBondContact O-N 3.38Å; D119-A149 WeakPolarHBondContact OD1-CA 3.45Å; D119-D150 PolarHBondContact OD1-N 3.08Å; D119-D150 VanDerWaalsContact OD1-N 3.07Å; D119-D150 PolarHBondContact OD2-N 2.95Å; D119-D150 VanDerWaalsContact OD2-N 3.17Å
120L90.5Very high91.8Very high41 Ų4135.3 Ų35.322%0.21520%0.203CC..  trans-61.5129.8171.6-75178.9000110.7N81 T94 E117N81-L120 HydrophobicContact CB-CD1 3.77Å; T94-L120 HydrophobicContact CG2-CB 4.3Å; T94-L120 HydrophobicContact CG2-CD1 3.87Å; E117-L120 HydrophobicContact CB-CD1 3.68Å; E117-L120 HydrophobicContact CB-CD2 4.47Å; E117-L120 HydrophobicContact CB-CG 3.62Å; E117-L120 WeakPolarHBondContact OE2-CD2 3.4Å
121V86.6Confident91.6Very high37 Ų3734 Ų3422%0.22420%0.198CC..  trans-96.9142.4178.8-64.50000111.6K83 D119 Q126 T127K83-V121 WeakPolarHBondContact CE-O 3.49Å; K83-V121 PolarHBondContact NZ-O 3.21Å; D119-V121 PolarHBondContact O-N 3.38Å; V121-Q126 WeakPolarHBondContact CA-O 3.39Å; V121-T127 HydrophobicContact CG1-CG2 3.84Å
122D81.1Confident91.5Very high7 Ų734 Ų344%0.03720%0.198CC..  trans-73.1-178.6166.670.39.9000111.8R97 K124 G125 Q126R97-D122 IonicContact CZ-OD2 3.52Å; R97-D122 IonicContact NH1-OD2 3.56Å; R97-D122 PolarHBondContact NH1-OD2 3.47Å; D122-K124 PolarHBondContact O-N 3.38Å; D122-K124 VanDerWaalsContact O-N 3.14Å; D122-K124 VanDerWaalsContact OD1-CA 3.3Å; D122-K124 WeakPolarHBondContact OD1-CA 3.26Å; D122-K124 WeakPolarHBondContact OD1-CB 3.46Å; D122-K124 PolarHBondContact OD1-N 2.9Å; D122-G125 WeakPolarHBondContact O-CA 2.88Å; D122-G125 PolarHBondContact O-N 2.9Å; D122-G125 PolarHBondContact OD1-N 3.27Å; D122-Q126 PolarHBondContact N-O 3.4Å; D122-Q126 WeakPolarHBondContact OD1-CB 3.4Å; D122-Q126 PolarHBondContact OD1-N 3.32Å
123V77.3Confident91.4Very high52 Ų5232.5 Ų32.532%0.31519%0.191SC..THydrogen-bonded Turntrans-67.1-13.3-179.9-47.80000113.4L91 P92 G125L91-V123 HydrophobicContact CB-CG2 3.41Å; L91-V123 VanDerWaalsContact CB-CG2 3.41Å; L91-V123 HydrophobicContact CD1-CG2 3.48Å; L91-V123 VanDerWaalsContact CD1-CG2 3.48Å; L91-V123 HydrophobicContact CD2-CG2 3.42Å; L91-V123 VanDerWaalsContact CD2-CG2 3.42Å; L91-V123 HydrophobicContact CG-CG2 3.55Å; P92-V123 HydrophobicContact CB-CG1 4.26Å; P92-V123 HydrophobicContact CG-CG1 3.98Å; V123-G125 VanDerWaalsContact C-N 3.33Å
124K77.7Confident91.1Very high110 Ų11031.9 Ų31.948%0.47818%0.179SC..THydrogen-bonded Turntrans-84.5-12.9171.3-95.9173.3-176.2170.60110.9L91 D122 Q126 H156L91-K124 HydrophobicContact CD1-CB 4.43Å; L91-K124 HydrophobicContact CD1-CD 3.52Å; L91-K124 VanDerWaalsContact CD1-CE 3.41Å; L91-K124 HydrophobicContact CD1-CG 3.64Å; D122-K124 PolarHBondContact O-N 3.38Å; D122-K124 VanDerWaalsContact O-N 3.14Å; D122-K124 VanDerWaalsContact OD1-CA 3.3Å; D122-K124 WeakPolarHBondContact OD1-CA 3.26Å; D122-K124 WeakPolarHBondContact OD1-CB 3.46Å; D122-K124 PolarHBondContact OD1-N 2.9Å; K124-Q126 HydrophobicContact CB-CG 4.08Å; K124-H156 VanDerWaalsContact O-CA 3.22Å; K124-H156 WeakPolarHBondContact O-CA 3.46Å; K124-H156 WeakPolarHBondContact O-CB 3.14Å; K124-H156 PolarHBondContact O-CD2 3.02Å
125G83.4Confident91Very high8 Ų833.4 Ų33.48%0.08219%0.189CC..SBendtrans86.816.7-174.300000113D122 V123 R155 H156D122-G125 WeakPolarHBondContact O-CA 2.88Å; D122-G125 PolarHBondContact O-N 2.9Å; D122-G125 PolarHBondContact OD1-N 3.27Å; V123-G125 VanDerWaalsContact C-N 3.33Å; G125-R155 PolarHBondContact O-N 2.91Å; G125-H156 PolarHBondContact O-N 2.9Å
126Q86.5Confident90.9Very high26 Ų2631.9 Ų31.912%0.12117%0.173CC..BIsolated β-bridgetrans-95.9132.9-176.8-60.5176.8-1500110.9V121 D122 K124 Y130 V131 H156V121-Q126 WeakPolarHBondContact CA-O 3.39Å; D122-Q126 PolarHBondContact N-O 3.4Å; D122-Q126 WeakPolarHBondContact OD1-CB 3.4Å; D122-Q126 PolarHBondContact OD1-N 3.32Å; K124-Q126 HydrophobicContact CB-CG 4.08Å; Q126-Y130 HydrophobicContact CB-CD1 3.78Å; Q126-Y130 HydrophobicContact CB-CE1 4.29Å; Q126-Y130 HydrophobicContact CB-CG 4.39Å; Q126-Y130 VanDerWaalsContact CD-CE1 3.43Å; Q126-Y130 HydrophobicContact CG-CD1 3.68Å; Q126-Y130 HydrophobicContact CG-CE1 3.68Å; Q126-Y130 HydrophobicContact CG-CG 4.45Å; Q126-Y130 VanDerWaalsContact NE2-CE1 3.35Å; Q126-V131 HydrophobicContact CB-CG1 4.34Å; Q126-H156 HydrophobicContact CG-CB 3.67Å; Q126-H156 PolarHBondContact NE2-CD2 3.34Å; Q126-H156 PolarHBondContact NE2-NE2 3.28Å
127T92.3Very high91Very high3 Ų334.3 Ų34.32%0.01818%0.183CC..  trans-84.1168.6174.860.80000111.5V121 L129 Y130 V131 G153V121-T127 HydrophobicContact CG1-CG2 3.84Å; T127-L129 VanDerWaalsContact C-N 3.26Å; T127-L129 PolarHBondContact O-N 2.93Å; T127-L129 PolarHBondContact OG1-N 3.15Å; T127-Y130 PolarHBondContact O-N 2.92Å; T127-Y130 WeakPolarHBondContact OG1-CB 3.43Å; T127-Y130 PolarHBondContact OG1-N 3Å; T127-V131 PolarHBondContact O-N 3.01Å; T127-G153 WeakPolarHBondContact CG2-O 3.4Å; T127-G153 PolarHBondContact OG1-O 2.85Å
128A95.1Very high91.1Very high1 Ų130.8 Ų30.81%0.00817%0.167CC..Hα-helixtrans-58.4-38.7169.200000112L96 R97 A100 V131 A132 L144L96-A128 HydrophobicContact CD2-CB 4.38Å; L96-A128 HydrophobicContact CG-CB 4.1Å; R97-A128 HydrophobicContact CB-CB 4.44Å; A100-A128 HydrophobicContact CB-CB 4.01Å; A128-V131 WeakPolarHBondContact O-CG2 3.28Å; A128-A132 WeakPolarHBondContact O-CB 3.41Å; A128-A132 PolarHBondContact O-N 3.48Å; A128-A132 VanDerWaalsContact O-N 3.08Å; A128-L144 HydrophobicContact CB-CD1 4.12Å; A128-L144 HydrophobicContact CB-CD2 3.93Å
129L96.8Very high91.3Very high0 Ų034.3 Ų34.30%019%0.186CC..Hα-helixtrans-62.2-47.9176.7178.867.7000111.3T127 V131 A132 V133 V141 L144 L145 A149 D150 L177T127-L129 VanDerWaalsContact C-N 3.26Å; T127-L129 PolarHBondContact O-N 2.93Å; T127-L129 PolarHBondContact OG1-N 3.15Å; L129-V131 VanDerWaalsContact C-N 3.34Å; L129-V131 PolarHBondContact O-N 3.47Å; L129-A132 PolarHBondContact O-N 2.99Å; L129-V133 HydrophobicContact CD1-CG2 4.39Å; L129-V133 WeakPolarHBondContact O-CG2 3.44Å; L129-V133 PolarHBondContact O-N 3.39Å; L129-V141 HydrophobicContact CD1-CB 4.38Å; L129-V141 HydrophobicContact CD1-CG1 4Å; L129-V141 HydrophobicContact CD1-CG2 4.42Å; L129-L144 HydrophobicContact CB-CD1 4.43Å; L129-L144 HydrophobicContact CD1-CB 4.12Å; L129-L145 HydrophobicContact CD1-CD2 4.1Å; L129-L145 HydrophobicContact CD1-CG 3.92Å; L129-L145 HydrophobicContact CD2-CD2 3.75Å; L129-L145 HydrophobicContact CD2-CG 4.48Å; L129-A149 HydrophobicContact CB-CB 4.23Å; L129-A149 HydrophobicContact CD2-CB 4.13Å; L129-D150 VanDerWaalsContact CD2-O 3.24Å; L129-D150 WeakPolarHBondContact CD2-O 3.22Å; L129-L177 HydrophobicContact CD2-CD2 4.28Å
130Y93.8Very high91.5Very high9 Ų931 Ų314%0.03517%0.168CC..Hα-helixtrans-57.6-46.4-179177.3-85.4000111.9Q126 T127 V133 V134 S159 P161 H164Q126-Y130 HydrophobicContact CB-CD1 3.78Å; Q126-Y130 HydrophobicContact CB-CE1 4.29Å; Q126-Y130 HydrophobicContact CB-CG 4.39Å; Q126-Y130 VanDerWaalsContact CD-CE1 3.43Å; Q126-Y130 HydrophobicContact CG-CD1 3.68Å; Q126-Y130 HydrophobicContact CG-CE1 3.68Å; Q126-Y130 HydrophobicContact CG-CG 4.45Å; Q126-Y130 VanDerWaalsContact NE2-CE1 3.35Å; T127-Y130 PolarHBondContact O-N 2.92Å; T127-Y130 WeakPolarHBondContact OG1-CB 3.43Å; T127-Y130 PolarHBondContact OG1-N 3Å; Y130-V133 PolarHBondContact O-N 3.37Å; Y130-V134 HydrophobicContact CD1-CG2 3.97Å; Y130-V134 HydrophobicContact CE1-CG2 3.54Å; Y130-V134 HydrophobicContact CE2-CG2 4.44Å; Y130-V134 WeakPolarHBondContact O-CG2 3.46Å; Y130-V134 PolarHBondContact O-N 3.16Å; Y130-S159 PolarHBondContact OH-OG 2.85Å; Y130-P161 HydrophobicContact CD2-CG 4.2Å; Y130-H164 AromaticContact CE2-CD2 3.4Å; Y130-H164 VanDerWaalsContact CE2-CD2 3.4Å; Y130-H164 WeakPolarHBondContact CE2-CD2 3.09Å; Y130-H164 AromaticContact CE2-NE2 3.68Å; Y130-H164 AromaticContact CZ-CD2 3.68Å; Y130-H164 AromaticContact CZ-NE2 3.57Å; Y130-H164 PolarHBondContact OH-CD2 3.02Å; Y130-H164 PolarHBondContact OH-CE1 3.37Å; Y130-H164 PolarHBondContact OH-NE2 2.93Å
131V93.1Very high91.9Very high6 Ų629.1 Ų29.14%0.03616%0.158CC..Hα-helixtrans-70-33.8180-62.70000112.6R97 A100 T101 Q126 T127 A128 L129 V133 V134 N135R97-V131 HydrophobicContact CG-CG2 3.86Å; A100-V131 HydrophobicContact CB-CG2 4.19Å; T101-V131 WeakPolarHBondContact OG1-CG2 3.33Å; Q126-V131 HydrophobicContact CB-CG1 4.34Å; T127-V131 PolarHBondContact O-N 3.01Å; A128-V131 WeakPolarHBondContact O-CG2 3.28Å; L129-V131 VanDerWaalsContact C-N 3.34Å; L129-V131 PolarHBondContact O-N 3.47Å; V131-V133 VanDerWaalsContact C-N 3.31Å; V131-V133 PolarHBondContact O-N 3.18Å; V131-V134 PolarHBondContact O-N 3.2Å; V131-N135 WeakPolarHBondContact O-CB 3.36Å; V131-N135 PolarHBondContact O-N 2.99Å; V131-N135 VanDerWaalsContact O-N 3.07Å; V131-N135 PolarHBondContact O-ND2 2.97Å
132A96.5Very high92.5Very high0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-62.5-41172.700000111.2A100 A128 L129 G136 H137 C140 V141 L144A100-A132 HydrophobicContact CB-CB 4.34Å; A128-A132 WeakPolarHBondContact O-CB 3.41Å; A128-A132 PolarHBondContact O-N 3.48Å; A128-A132 VanDerWaalsContact O-N 3.08Å; L129-A132 PolarHBondContact O-N 2.99Å; A132-G136 PolarHBondContact O-N 3.48Å; A132-H137 PolarHBondContact O-N 3.45Å; A132-C140 HydrophobicContact CB-CB 3.85Å; A132-V141 HydrophobicContact CB-CG2 3.84Å; A132-L144 HydrophobicContact CB-CD1 4.1Å
133V96.1Very high93.3Very high5 Ų533.1 Ų33.13%0.0317%0.171CC..Hα-helixtrans-65.7-47.7175.7169.30000111.8L129 Y130 V131 N135 G136 V141 P161 H164 A165 V173 L177L129-V133 HydrophobicContact CD1-CG2 4.39Å; L129-V133 WeakPolarHBondContact O-CG2 3.44Å; L129-V133 PolarHBondContact O-N 3.39Å; Y130-V133 PolarHBondContact O-N 3.37Å; V131-V133 VanDerWaalsContact C-N 3.31Å; V131-V133 PolarHBondContact O-N 3.18Å; V133-N135 VanDerWaalsContact C-N 3.25Å; V133-N135 PolarHBondContact O-N 3.49Å; V133-G136 PolarHBondContact O-N 3.02Å; V133-V141 HydrophobicContact CB-CG2 4.48Å; V133-V141 HydrophobicContact CG2-CG1 4.35Å; V133-V141 HydrophobicContact CG2-CG2 3.58Å; V133-P161 HydrophobicContact CB-CB 4.2Å; V133-P161 HydrophobicContact CG1-CB 4.15Å; V133-P161 VanDerWaalsContact CG1-O 3.29Å; V133-P161 WeakPolarHBondContact CG1-O 3.33Å; V133-P161 HydrophobicContact CG2-CB 3.96Å; V133-H164 HydrophobicContact CG1-CB 4.4Å; V133-A165 HydrophobicContact CG1-CB 4.16Å; V133-V173 HydrophobicContact CB-CG1 4.21Å; V133-V173 HydrophobicContact CG1-CG1 3.86Å; V133-V173 HydrophobicContact CG2-CG1 3.72Å; V133-L177 HydrophobicContact CG1-CD1 4.43Å; V133-L177 HydrophobicContact CG2-CD1 4.2Å; V133-L177 HydrophobicContact CG2-CD2 4.34Å
134V92.6Very high94.4Very high64 Ų6430.6 Ų30.639%0.38816%0.156SC..Hα-helixtrans-59.9-37.3-179.6167.30000111.9Y130 V131 H164Y130-V134 HydrophobicContact CD1-CG2 3.97Å; Y130-V134 HydrophobicContact CE1-CG2 3.54Å; Y130-V134 HydrophobicContact CE2-CG2 4.44Å; Y130-V134 WeakPolarHBondContact O-CG2 3.46Å; Y130-V134 PolarHBondContact O-N 3.16Å; V131-V134 PolarHBondContact O-N 3.2Å; V134-H164 HydrophobicContact CG2-CB 4.22Å
135N94Very high95.3Very high82 Ų8225.6 Ų25.644%0.43913%0.134SC..THydrogen-bonded Turntrans-89.3-2178.3-64.2-63.4000113.5V131 V133 H137V131-N135 WeakPolarHBondContact O-CB 3.36Å; V131-N135 PolarHBondContact O-N 2.99Å; V131-N135 VanDerWaalsContact O-N 3.07Å; V131-N135 PolarHBondContact O-ND2 2.97Å; V133-N135 VanDerWaalsContact C-N 3.25Å; V133-N135 PolarHBondContact O-N 3.49Å; N135-H137 VanDerWaalsContact CB-CD2 3.49Å; N135-H137 WeakPolarHBondContact CB-CD2 3.17Å; N135-H137 WeakPolarHBondContact CB-NE2 3.25Å
136G95.6Very high96.1Very high14 Ų1431.3 Ų31.314%0.14416%0.159CC..THydrogen-bonded Turntrans73.624.3175.300000115.1A132 V133 L138A132-G136 PolarHBondContact O-N 3.48Å; V133-G136 PolarHBondContact O-N 3.02Å; G136-L138 PolarHBondContact O-N 3.34Å; G136-L138 VanDerWaalsContact O-N 3.13Å
137H98.1Very high96.6Very high57 Ų5732 Ų3226%0.26417%0.169SC..  trans-84.479.1-179.5-60.6-46.2000111.4A100 T101 G103 A132 N135 D139 C140 V141A100-H137 PolarHBondContact O-CD2 2.9Å; T101-H137 PolarHBondContact O-NE2 3.23Å; G103-H137 WeakPolarHBondContact CA-CD2 3.43Å; G103-H137 PolarHBondContact N-CD2 2.97Å; G103-H137 PolarHBondContact N-NE2 3.38Å; A132-H137 PolarHBondContact O-N 3.45Å; N135-H137 VanDerWaalsContact CB-CD2 3.49Å; N135-H137 WeakPolarHBondContact CB-CD2 3.17Å; N135-H137 WeakPolarHBondContact CB-NE2 3.25Å; H137-D139 VanDerWaalsContact C-N 3.32Å; H137-D139 PolarHBondContact O-N 2.95Å; H137-C140 HydrophobicContact CB-CB 4.05Å; H137-C140 WeakPolarHBondContact O-CB 3.38Å; H137-C140 PolarHBondContact O-N 2.98Å; H137-C140 VanDerWaalsContact O-N 3.16Å; H137-V141 WeakPolarHBondContact O-CG2 3.35Å; H137-V141 PolarHBondContact O-N 3.37Å
138L98.3Very high96.8Very high32 Ų3234.7 Ų34.717%0.16820%0.197CC..Hα-helixtrans-54.4-41.4-174.4-178.663.7000113.9G136 V141 R142 D172 V173 E176G136-L138 PolarHBondContact O-N 3.34Å; G136-L138 VanDerWaalsContact O-N 3.13Å; L138-V141 WeakPolarHBondContact O-CB 3.44Å; L138-V141 PolarHBondContact O-N 3.41Å; L138-R142 PolarHBondContact O-N 3.33Å; L138-D172 HydrophobicContact CD1-CB 4.46Å; L138-D172 HydrophobicContact CD2-CB 4.05Å; L138-V173 HydrophobicContact CB-CG2 4.47Å; L138-V173 HydrophobicContact CD1-CG2 3.98Å; L138-E176 HydrophobicContact CD1-CG 3.86Å
139D98.6Very high96.9Very high97 Ų9734.9 Ų34.952%0.51920%0.199SC..Hα-helixtrans-66.7-40.2-179.1-64.1-31.3000111.6A105 H137 V141 R142 I143A105-D139 HydrophobicContact CB-CB 3.86Å; H137-D139 VanDerWaalsContact C-N 3.32Å; H137-D139 PolarHBondContact O-N 2.95Å; D139-V141 VanDerWaalsContact C-N 3.33Å; D139-V141 PolarHBondContact O-N 3.36Å; D139-R142 PolarHBondContact O-N 3.36Å; D139-I143 WeakPolarHBondContact O-CD1 3.47Å; D139-I143 VanDerWaalsContact O-CG1 3.28Å; D139-I143 WeakPolarHBondContact O-CG1 3.4Å; D139-I143 PolarHBondContact O-N 2.92Å
140C98.7Very high96.7Very high1 Ų138.2 Ų38.21%0.00722%0.216CC..Hα-helixtrans-61.7-42.2171.3-650000111.4G103 V108 A132 H137 R142 I143 L144G103-C140 VanDerWaalsContact C-SG 3.55Å; V108-C140 HydrophobicContact CG2-CB 4.5Å; A132-C140 HydrophobicContact CB-CB 3.85Å; H137-C140 HydrophobicContact CB-CB 4.05Å; H137-C140 WeakPolarHBondContact O-CB 3.38Å; H137-C140 PolarHBondContact O-N 2.98Å; H137-C140 VanDerWaalsContact O-N 3.16Å; C140-R142 PolarHBondContact O-N 2.97Å; C140-I143 PolarHBondContact O-N 3.34Å; C140-L144 WeakPolarHBondContact O-CB 3.33Å; C140-L144 WeakPolarHBondContact O-CD1 3.36Å; C140-L144 WeakPolarHBondContact O-CG 3.2Å; C140-L144 PolarHBondContact O-N 3.48Å
141V98.5Very high96.7Very high0 Ų038.6 Ų38.60%022%0.22CC..Hα-helixtrans-57.9-48.1176.8170.20000110.8L129 A132 V133 H137 L138 D139 L144 L145 V173L129-V141 HydrophobicContact CD1-CB 4.38Å; L129-V141 HydrophobicContact CD1-CG1 4Å; L129-V141 HydrophobicContact CD1-CG2 4.42Å; A132-V141 HydrophobicContact CB-CG2 3.84Å; V133-V141 HydrophobicContact CB-CG2 4.48Å; V133-V141 HydrophobicContact CG2-CG1 4.35Å; V133-V141 HydrophobicContact CG2-CG2 3.58Å; H137-V141 WeakPolarHBondContact O-CG2 3.35Å; H137-V141 PolarHBondContact O-N 3.37Å; L138-V141 WeakPolarHBondContact O-CB 3.44Å; L138-V141 PolarHBondContact O-N 3.41Å; D139-V141 VanDerWaalsContact C-N 3.33Å; D139-V141 PolarHBondContact O-N 3.36Å; V141-L144 PolarHBondContact O-N 3.01Å; V141-L145 HydrophobicContact CG1-CD1 3.68Å; V141-L145 HydrophobicContact CG1-CG 4.38Å; V141-L145 WeakPolarHBondContact O-CB 3.24Å; V141-L145 VanDerWaalsContact O-CG 3.25Å; V141-L145 WeakPolarHBondContact O-CG 3.39Å; V141-L145 PolarHBondContact O-N 3.04Å; V141-V173 HydrophobicContact CG1-CG1 4.41Å; V141-V173 HydrophobicContact CG2-CG1 4.34Å
142R98.7Very high96.4Very high89 Ų8939.3 Ų39.334%0.33622%0.224SC..Hα-helixtrans-59.7-50.7178-74.7175.2170.6158.2-1.4111.9L138 D139 C140 L144 L145 E146 E176L138-R142 PolarHBondContact O-N 3.33Å; D139-R142 PolarHBondContact O-N 3.36Å; C140-R142 PolarHBondContact O-N 2.97Å; R142-L144 VanDerWaalsContact C-N 3.32Å; R142-L144 PolarHBondContact O-N 3.49Å; R142-L145 PolarHBondContact O-N 3.42Å; R142-E146 WeakPolarHBondContact O-CB 3.49Å; R142-E146 VanDerWaalsContact O-CG 3.26Å; R142-E146 WeakPolarHBondContact O-CG 3.34Å; R142-E146 PolarHBondContact O-N 2.67Å; R142-E176 HydrophobicContact CG-CG 4.09Å; R142-E176 IonicContact CZ-OE1 3.88Å; R142-E176 IonicContact NE-OE1 3.93Å; R142-E176 PolarHBondContact NE-OE1 2.91Å; R142-E176 IonicContact NH2-OE1 3.2Å; R142-E176 PolarHBondContact NH2-OE1 3.44Å
143I98.7Very high95.4Very high39 Ų3939.6 Ų39.620%0.223%0.227CC..Hα-helixtrans-59.1-44.3-179.4-68.3162.5000111.1A105 V108 A109 I112 D139 C140 E146 A147A105-I143 HydrophobicContact CB-CD1 3.73Å; A105-I143 WeakPolarHBondContact O-CD1 2.88Å; V108-I143 HydrophobicContact CG1-CB 4.39Å; V108-I143 HydrophobicContact CG1-CG2 3.82Å; A109-I143 HydrophobicContact CB-CD1 4.24Å; A109-I143 HydrophobicContact CB-CG2 4.06Å; I112-I143 HydrophobicContact CD1-CG2 3.89Å; D139-I143 WeakPolarHBondContact O-CD1 3.47Å; D139-I143 VanDerWaalsContact O-CG1 3.28Å; D139-I143 WeakPolarHBondContact O-CG1 3.4Å; D139-I143 PolarHBondContact O-N 2.92Å; C140-I143 PolarHBondContact O-N 3.34Å; I143-E146 PolarHBondContact O-N 2.77Å; I143-A147 VanDerWaalsContact O-CB 3.31Å; I143-A147 WeakPolarHBondContact O-CB 3.37Å; I143-A147 PolarHBondContact O-N 2.78Å
144L98.6Very high94.3Very high0 Ų039.8 Ų39.80%023%0.228CC..Hα-helixtrans-65.9-43.7-179.9-71.6162.4000111.8L96 A100 V108 I112 V118 A128 L129 A132 C140 V141 R142 A147 G148 A149L96-L144 HydrophobicContact CD1-CD2 4.32Å; L96-L144 HydrophobicContact CD2-CD2 4.37Å; L96-L144 HydrophobicContact CG-CD2 4.5Å; A100-L144 HydrophobicContact CB-CD1 4.11Å; V108-L144 HydrophobicContact CG1-CD2 4.01Å; V108-L144 HydrophobicContact CG1-CG 3.95Å; I112-L144 HydrophobicContact CD1-CD2 3.97Å; V118-L144 HydrophobicContact CG1-CD2 3.88Å; A128-L144 HydrophobicContact CB-CD1 4.12Å; A128-L144 HydrophobicContact CB-CD2 3.93Å; L129-L144 HydrophobicContact CB-CD1 4.43Å; L129-L144 HydrophobicContact CD1-CB 4.12Å; A132-L144 HydrophobicContact CB-CD1 4.1Å; C140-L144 WeakPolarHBondContact O-CB 3.33Å; C140-L144 WeakPolarHBondContact O-CD1 3.36Å; C140-L144 WeakPolarHBondContact O-CG 3.2Å; C140-L144 PolarHBondContact O-N 3.48Å; V141-L144 PolarHBondContact O-N 3.01Å; R142-L144 VanDerWaalsContact C-N 3.32Å; R142-L144 PolarHBondContact O-N 3.49Å; L144-A147 CarbonylContact O-C 3.44Å; L144-A147 PolarHBondContact O-N 2.88Å; L144-G148 PolarHBondContact O-N 3.33Å; L144-A149 HydrophobicContact CB-CB 4.2Å; L144-A149 WeakPolarHBondContact O-CB 3.31Å; L144-A149 PolarHBondContact O-N 3.43Å
145L98.3Very high93Very high4 Ų447 Ų472%0.02125%0.249CC..Hα-helixtrans-65.7-41.2176.7-71.2171.6000112.2L129 V141 R142 A147 G148 P151 E176 L177 F180L129-L145 HydrophobicContact CD1-CD2 4.1Å; L129-L145 HydrophobicContact CD1-CG 3.92Å; L129-L145 HydrophobicContact CD2-CD2 3.75Å; L129-L145 HydrophobicContact CD2-CG 4.48Å; V141-L145 HydrophobicContact CG1-CD1 3.68Å; V141-L145 HydrophobicContact CG1-CG 4.38Å; V141-L145 WeakPolarHBondContact O-CB 3.24Å; V141-L145 VanDerWaalsContact O-CG 3.25Å; V141-L145 WeakPolarHBondContact O-CG 3.39Å; V141-L145 PolarHBondContact O-N 3.04Å; R142-L145 PolarHBondContact O-N 3.42Å; L145-A147 PolarHBondContact O-N 3.05Å; L145-G148 PolarHBondContact O-N 3.4Å; L145-P151 HydrophobicContact CD2-CB 3.94Å; L145-E176 HydrophobicContact CD1-CB 4.26Å; L145-L177 HydrophobicContact CD1-CD2 4.29Å; L145-L177 HydrophobicContact CD2-CD2 4.43Å; L145-F180 HydrophobicContact CB-CB 4.29Å; L145-F180 HydrophobicContact CB-CD1 3.8Å; L145-F180 HydrophobicContact CB-CD2 3.76Å; L145-F180 HydrophobicContact CB-CE1 3.96Å; L145-F180 HydrophobicContact CB-CE2 3.93Å; L145-F180 HydrophobicContact CB-CG 3.69Å; L145-F180 HydrophobicContact CB-CZ 4.03Å; L145-F180 HydrophobicContact CD1-CB 4.14Å; L145-F180 HydrophobicContact CD1-CD2 3.73Å; L145-F180 HydrophobicContact CD1-CE2 4.38Å; L145-F180 HydrophobicContact CD1-CG 4.05Å; L145-F180 HydrophobicContact CD2-CB 3.87Å; L145-F180 HydrophobicContact CD2-CG 4.22Å; L145-F180 HydrophobicContact CG-CB 4.32Å; L145-F180 HydrophobicContact CG-CD2 4.27Å; L145-F180 HydrophobicContact CG-CG 4.2Å; L145-F180 WeakPolarHBondContact O-CE1 3.38Å
146E98.4Very high91.7Very high128 Ų12844.4 Ų44.460%0.59823%0.234SC*.Hα-helixtrans-63.8-31174.6-73.8172.3-17900112.2R142 I143 G148 F180R142-E146 WeakPolarHBondContact O-CB 3.49Å; R142-E146 VanDerWaalsContact O-CG 3.26Å; R142-E146 WeakPolarHBondContact O-CG 3.34Å; R142-E146 PolarHBondContact O-N 2.67Å; I143-E146 PolarHBondContact O-N 2.77Å; E146-G148 PolarHBondContact O-N 3Å; E146-F180 HydrophobicContact CG-CE1 4.42Å; E146-F180 HydrophobicContact CG-CZ 3.76Å
147A97.9Very high89.9Confident42 Ų4250.9 Ų50.935%0.34726%0.26SS..THydrogen-bonded Turntrans-78.31.7172.300000114.1I112 V118 I143 L144 L145I112-A147 HydrophobicContact CD1-CB 3.86Å; I112-A147 HydrophobicContact CG2-CB 3.76Å; V118-A147 HydrophobicContact CG2-CB 4.11Å; I143-A147 VanDerWaalsContact O-CB 3.31Å; I143-A147 WeakPolarHBondContact O-CB 3.37Å; I143-A147 PolarHBondContact O-N 2.78Å; L144-A147 CarbonylContact O-C 3.44Å; L144-A147 PolarHBondContact O-N 2.88Å; L145-A147 PolarHBondContact O-N 3.05Å
148G96.4Very high88.3Confident58 Ų5854.5 Ų54.560%0.59827%0.271SS*.THydrogen-bonded Turntrans87.719.6175.800000115.4L144 L145 E146 D150L144-G148 PolarHBondContact O-N 3.33Å; L145-G148 PolarHBondContact O-N 3.4Å; E146-G148 PolarHBondContact O-N 3Å; G148-D150 PolarHBondContact O-N 3.5Å
149A96.4Very high87.2Confident5 Ų553.4 Ų53.44%0.04127%0.266CS..  trans-52.913917000000111V118 D119 L129 L144 P151V118-A149 HydrophobicContact CG1-CB 3.48Å; V118-A149 VanDerWaalsContact CG1-CB 3.48Å; D119-A149 WeakPolarHBondContact OD1-CA 3.45Å; L129-A149 HydrophobicContact CB-CB 4.23Å; L129-A149 HydrophobicContact CD2-CB 4.13Å; L144-A149 HydrophobicContact CB-CB 4.2Å; L144-A149 WeakPolarHBondContact O-CB 3.31Å; L144-A149 PolarHBondContact O-N 3.43Å; A149-P151 VanDerWaalsContact O-CD 3.29Å; A149-P151 WeakPolarHBondContact O-CD 3.35Å; A149-P151 VanDerWaalsContact O-N 3.14Å
150D93.5Very high86.5Confident70 Ų7048.9 Ų48.937%0.37424%0.242SC..  trans-61.4116.2169.6176.17.3000109.3D119 L129 G148 N152 G153D119-D150 PolarHBondContact OD1-N 3.08Å; D119-D150 VanDerWaalsContact OD1-N 3.07Å; D119-D150 PolarHBondContact OD2-N 2.95Å; D119-D150 VanDerWaalsContact OD2-N 3.17Å; L129-D150 VanDerWaalsContact CD2-O 3.24Å; L129-D150 WeakPolarHBondContact CD2-O 3.22Å; G148-D150 PolarHBondContact O-N 3.5Å; D150-N152 PolarHBondContact O-N 3.26Å; D150-N152 VanDerWaalsContact O-N 3.08Å; D150-N152 WeakPolarHBondContact OD1-CB 3.32Å; D150-N152 PolarHBondContact OD1-N 3.11Å; D150-N152 PolarHBondContact OD1-ND2 2.7Å; D150-G153 WeakPolarHBondContact O-CA 3.48Å; D150-G153 PolarHBondContact O-N 3.43Å
151P93.3Very high86.2Confident18 Ų1848.8 Ų48.812%0.11724%0.242CC..THydrogen-bonded Turntrans-62.4-18.6-179.630.6-41.4000113.2L145 A149 F180 A182L145-P151 HydrophobicContact CD2-CB 3.94Å; A149-P151 VanDerWaalsContact O-CD 3.29Å; A149-P151 WeakPolarHBondContact O-CD 3.35Å; A149-P151 VanDerWaalsContact O-N 3.14Å; P151-F180 WeakPolarHBondContact CG-O 3.49Å; P151-A182 HydrophobicContact CB-CB 3.95Å
152N87.8Confident86Confident21 Ų2148.8 Ų48.811%0.11224%0.242CC..THydrogen-bonded Turntrans-97.71.7175.3-51.3-69000112.5D150 S154 D183 M186D150-N152 PolarHBondContact O-N 3.26Å; D150-N152 VanDerWaalsContact O-N 3.08Å; D150-N152 WeakPolarHBondContact OD1-CB 3.32Å; D150-N152 PolarHBondContact OD1-N 3.11Å; D150-N152 PolarHBondContact OD1-ND2 2.7Å; N152-S154 PolarHBondContact O-N 3.46Å; N152-D183 PolarHBondContact OD1-N 3.18Å; N152-M186 HydrophobicContact CB-CE 4Å; N152-M186 HydrophobicContact CB-CG 4.28Å; N152-M186 HydrophobicContact CB-SD 4.44Å; N152-M186 WeakPolarHBondContact OD1-CG 3.48Å
153G74.4Confident85.5Confident6 Ų645.5 Ų45.56%0.06223%0.229CC..  trans-59.694.9-167.800000113.3T127 D150T127-G153 WeakPolarHBondContact CG2-O 3.4Å; T127-G153 PolarHBondContact OG1-O 2.85Å; D150-G153 WeakPolarHBondContact O-CA 3.48Å; D150-G153 PolarHBondContact O-N 3.43Å
154S73.6Confident85.2Confident8 Ų844.3 Ų44.36%0.05622%0.223CC..BIsolated β-bridgetrans-165123.3166.2171.50000108.6N152 H156 S159 H188N152-S154 PolarHBondContact O-N 3.46Å; S154-H156 VanDerWaalsContact C-N 3.35Å; S154-H156 PolarHBondContact OG-N 2.96Å; S154-S159 WeakPolarHBondContact CB-O 3.46Å; S154-S159 PolarHBondContact OG-O 3.18Å; S154-H188 PolarHBondContact O-CE1 3.33Å
155R66.3Low85Confident217 Ų21744.4 Ų44.482%0.81922%0.224SC*.  trans-92.7-1.9168-61.6-174.5-178-166.81.6111.6G125G125-R155 PolarHBondContact O-N 2.91Å
156H65.1Low84.8Confident27 Ų2744.2 Ų44.213%0.12522%0.223CC..SBendtrans-78.5128.6-176.9179-90.4000111.9K124 G125 Q126 S154 R158 S159K124-H156 VanDerWaalsContact O-CA 3.22Å; K124-H156 WeakPolarHBondContact O-CA 3.46Å; K124-H156 WeakPolarHBondContact O-CB 3.14Å; K124-H156 PolarHBondContact O-CD2 3.02Å; G125-H156 PolarHBondContact O-N 2.9Å; Q126-H156 HydrophobicContact CG-CB 3.67Å; Q126-H156 PolarHBondContact NE2-CD2 3.34Å; Q126-H156 PolarHBondContact NE2-NE2 3.28Å; S154-H156 VanDerWaalsContact C-N 3.35Å; S154-H156 PolarHBondContact OG-N 2.96Å; H156-R158 PolarHBondContact O-N 3.09Å; H156-S159 PolarHBondContact O-N 3.41Å
157H58.2Low84.5Confident150 Ų15042.1 Ų42.169%0.69421%0.209SC*.THydrogen-bonded Turntrans42.526.3166.2-65.772.5000116.7S159H157-S159 PolarHBondContact O-N 2.78Å
158R65.1Low84.3Confident132 Ų13244.1 Ų44.150%0.49822%0.217SC..THydrogen-bonded Turntrans57.433.5-175.8-41.3165.7-159.6-84.9-0.9110.9H156 H188 Q189 V206H156-R158 PolarHBondContact O-N 3.09Å; R158-H188 HydrophobicContact CB-CB 4.09Å; R158-H188 HydrophobicContact CG-CB 4.47Å; R158-H188 PolarHBondContact O-CD2 2.95Å; R158-Q189 VanDerWaalsContact CD-NE2 3.25Å; R158-Q189 VanDerWaalsContact CZ-NE2 3.33Å; R158-V206 HydrophobicContact CB-CG2 4.12Å; R158-V206 VanDerWaalsContact O-CB 3.29Å; R158-V206 WeakPolarHBondContact O-CB 3.15Å; R158-V206 WeakPolarHBondContact O-CG1 3.2Å; R158-V206 WeakPolarHBondContact O-CG2 3.32Å
159S73.9Confident84.3Confident10 Ų1042.3 Ų42.37%0.0720%0.199CC..  trans-112.312917768.90000113.5Y130 S154 H156 H157 H164 V206Y130-S159 PolarHBondContact OH-OG 2.85Å; S154-S159 WeakPolarHBondContact CB-O 3.46Å; S154-S159 PolarHBondContact OG-O 3.18Å; H156-S159 PolarHBondContact O-N 3.41Å; H157-S159 PolarHBondContact O-N 2.78Å; S159-H164 WeakPolarHBondContact CB-NE2 3.43Å; S159-H164 PolarHBondContact OG-NE2 3.26Å; S159-V206 VanDerWaalsContact CA-CG1 3.49Å
160T85.9Confident84.3Confident1 Ų146.5 Ų46.51%0.00621%0.213CC..  trans-90.6153.3179.260.80000111.9L162 Y163 H164 M186 H188T160-L162 PolarHBondContact O-N 3Å; T160-Y163 WeakPolarHBondContact O-CB 3.38Å; T160-Y163 PolarHBondContact O-N 2.96Å; T160-Y163 VanDerWaalsContact O-N 3.14Å; T160-Y163 WeakPolarHBondContact OG1-CB 3.49Å; T160-Y163 PolarHBondContact OG1-N 3.07Å; T160-H164 PolarHBondContact O-CD2 3.35Å; T160-H164 PolarHBondContact O-N 2.89Å; T160-M186 HydrophobicContact CG2-CB 3.76Å; T160-M186 HydrophobicContact CG2-CG 4.18Å; T160-H188 WeakPolarHBondContact CG2-NE2 3.24Å
161P92Very high84.5Confident0 Ų045.6 Ų45.60%021%0.21CC..Hα-helixtrans-51.8-41.3169.5-24.533.4000111.9Y130 V133 Y163 H164 A165 L177Y130-P161 HydrophobicContact CD2-CG 4.2Å; V133-P161 HydrophobicContact CB-CB 4.2Å; V133-P161 HydrophobicContact CG1-CB 4.15Å; V133-P161 VanDerWaalsContact CG1-O 3.29Å; V133-P161 WeakPolarHBondContact CG1-O 3.33Å; V133-P161 HydrophobicContact CG2-CB 3.96Å; P161-Y163 PolarHBondContact O-N 2.85Å; P161-H164 PolarHBondContact O-N 2.97Å; P161-H164 VanDerWaalsContact O-N 3.16Å; P161-A165 PolarHBondContact O-N 3.14Å; P161-L177 HydrophobicContact CB-CD1 4.04Å; P161-L177 HydrophobicContact CB-CD2 4.13Å
162L92.7Very high84.7Confident0 Ų047.2 Ų47.20%022%0.218CC..Hα-helixtrans-61.3-42.1178.8-166.577.4000113T160 H164 A165 A166 L174 L177 I178 A182 V184 P208 L224T160-L162 PolarHBondContact O-N 3Å; L162-H164 VanDerWaalsContact C-N 3.33Å; L162-H164 PolarHBondContact O-N 3.26Å; L162-A165 PolarHBondContact O-N 3.49Å; L162-A166 WeakPolarHBondContact O-CB 3.49Å; L162-A166 PolarHBondContact O-N 3.05Å; L162-L174 HydrophobicContact CD1-CD1 3.57Å; L162-L174 HydrophobicContact CD1-CG 3.9Å; L162-L174 HydrophobicContact CG-CD1 3.99Å; L162-L177 HydrophobicContact CB-CD1 4.35Å; L162-L177 HydrophobicContact CD1-CB 3.8Å; L162-L177 HydrophobicContact CD1-CD1 4.14Å; L162-I178 HydrophobicContact CD1-CG1 3.99Å; L162-A182 HydrophobicContact CB-CB 4.5Å; L162-A182 HydrophobicContact CD1-CB 4.2Å; L162-A182 HydrophobicContact CD2-CB 4.4Å; L162-V184 HydrophobicContact CD2-CB 4.15Å; L162-V184 HydrophobicContact CD2-CG1 3.87Å; L162-P208 HydrophobicContact CD2-CB 4.4Å; L162-P208 HydrophobicContact CD2-CG 4.06Å; L162-P208 HydrophobicContact CG-CB 4.46Å; L162-P208 HydrophobicContact CG-CG 4.37Å; L162-L224 HydrophobicContact CD2-CD2 3.87Å; L162-L224 HydrophobicContact CG-CD2 4.26Å
163Y90.2Very high85.2Confident19 Ų1946.2 Ų46.28%0.07521%0.213CC..Hα-helixtrans-59.7-43.6174.1172.5-95.1000111.9T160 P161 A166 R167 V205 V206 I211T160-Y163 WeakPolarHBondContact O-CB 3.38Å; T160-Y163 PolarHBondContact O-N 2.96Å; T160-Y163 VanDerWaalsContact O-N 3.14Å; T160-Y163 WeakPolarHBondContact OG1-CB 3.49Å; T160-Y163 PolarHBondContact OG1-N 3.07Å; P161-Y163 PolarHBondContact O-N 2.85Å; Y163-A166 PolarHBondContact O-N 3.17Å; Y163-R167 WeakPolarHBondContact O-CB 3.46Å; Y163-R167 PolarHBondContact O-N 3.47Å; Y163-V205 WeakPolarHBondContact CE2-O 3.36Å; Y163-V205 PolarHBondContact OH-O 3.36Å; Y163-V206 HydrophobicContact CD1-CG1 4.38Å; Y163-V206 VanDerWaalsContact CD2-CA 3.45Å; Y163-V206 HydrophobicContact CD2-CG1 4.12Å; Y163-V206 WeakPolarHBondContact CD2-O 3.24Å; Y163-V206 HydrophobicContact CG-CG1 3.92Å; Y163-I211 HydrophobicContact CD2-CB 4.12Å; Y163-I211 HydrophobicContact CD2-CG2 3.66Å; Y163-I211 HydrophobicContact CE2-CB 3.5Å; Y163-I211 HydrophobicContact CE2-CD1 4.24Å; Y163-I211 HydrophobicContact CE2-CG1 3.76Å; Y163-I211 HydrophobicContact CE2-CG2 3.58Å; Y163-I211 HydrophobicContact CG-CG2 4.45Å; Y163-I211 WeakPolarHBondContact OH-CD1 3.29Å
164H91.4Very high86.3Confident14 Ų1446 Ų467%0.06521%0.21CC..Hα-helixtrans-65.4-44.1178.6-80-80.3000112.3Y130 V133 V134 S159 T160 P161 L162 A166 R167 V168Y130-H164 AromaticContact CE2-CD2 3.4Å; Y130-H164 VanDerWaalsContact CE2-CD2 3.4Å; Y130-H164 WeakPolarHBondContact CE2-CD2 3.09Å; Y130-H164 AromaticContact CE2-NE2 3.68Å; Y130-H164 AromaticContact CZ-CD2 3.68Å; Y130-H164 AromaticContact CZ-NE2 3.57Å; Y130-H164 PolarHBondContact OH-CD2 3.02Å; Y130-H164 PolarHBondContact OH-CE1 3.37Å; Y130-H164 PolarHBondContact OH-NE2 2.93Å; V133-H164 HydrophobicContact CG1-CB 4.4Å; V134-H164 HydrophobicContact CG2-CB 4.22Å; S159-H164 WeakPolarHBondContact CB-NE2 3.43Å; S159-H164 PolarHBondContact OG-NE2 3.26Å; T160-H164 PolarHBondContact O-CD2 3.35Å; T160-H164 PolarHBondContact O-N 2.89Å; P161-H164 PolarHBondContact O-N 2.97Å; P161-H164 VanDerWaalsContact O-N 3.16Å; L162-H164 VanDerWaalsContact C-N 3.33Å; L162-H164 PolarHBondContact O-N 3.26Å; H164-A166 VanDerWaalsContact C-N 3.32Å; H164-A166 PolarHBondContact O-N 3.14Å; H164-R167 PolarHBondContact CE1-NH2 2.97Å; H164-R167 PolarHBondContact ND1-NH2 2.92Å; H164-R167 VanDerWaalsContact ND1-NH2 3.17Å; H164-R167 PolarHBondContact O-N 3.42Å; H164-V168 WeakPolarHBondContact O-CG2 3.03Å; H164-V168 PolarHBondContact O-N 3.29Å; H164-V168 VanDerWaalsContact O-N 3.16Å
165A95.1Very high87.4Confident2 Ų251.1 Ų51.12%0.01723%0.233CC..Hα-helixtrans-59.7-4317500000111.6V133 P161 L162 G169 R170 V173 L174 L177V133-A165 HydrophobicContact CG1-CB 4.16Å; P161-A165 PolarHBondContact O-N 3.14Å; L162-A165 PolarHBondContact O-N 3.49Å; A165-G169 PolarHBondContact O-N 3.26Å; A165-R170 PolarHBondContact O-N 3.16Å; A165-V173 HydrophobicContact CB-CB 4.37Å; A165-V173 HydrophobicContact CB-CG1 4.07Å; A165-L174 HydrophobicContact CB-CB 4.22Å; A165-L174 HydrophobicContact CB-CD1 4.04Å; A165-L177 HydrophobicContact CB-CD1 4.22Å
166A94.1Very high88.9Confident0 Ų041.5 Ų41.50%020%0.197CC..Hα-helixtrans-64.8-39.9177.100000113L162 Y163 H164 G169 L174 P208 I211 H217 L224L162-A166 WeakPolarHBondContact O-CB 3.49Å; L162-A166 PolarHBondContact O-N 3.05Å; Y163-A166 PolarHBondContact O-N 3.17Å; H164-A166 VanDerWaalsContact C-N 3.32Å; H164-A166 PolarHBondContact O-N 3.14Å; A166-G169 PolarHBondContact O-N 2.86Å; A166-L174 HydrophobicContact CB-CD1 3.92Å; A166-P208 HydrophobicContact CB-CB 3.92Å; A166-P208 WeakPolarHBondContact CB-O 3.49Å; A166-I211 HydrophobicContact CB-CG2 3.96Å; A166-H217 PolarHBondContact O-CD2 2.95Å; A166-H217 VanDerWaalsContact O-CD2 3.27Å; A166-L224 HydrophobicContact CB-CD1 4.23Å
167R91.9Very high90.4Very high84 Ų8440.2 Ų40.232%0.31719%0.191SC..Hα-helixtrans-65.7-36.7179.2-176.5178.372.5-1795.7113.4Y163 H164 I211 Y215 H217Y163-R167 WeakPolarHBondContact O-CB 3.46Å; Y163-R167 PolarHBondContact O-N 3.47Å; H164-R167 PolarHBondContact CE1-NH2 2.97Å; H164-R167 PolarHBondContact ND1-NH2 2.92Å; H164-R167 VanDerWaalsContact ND1-NH2 3.17Å; H164-R167 PolarHBondContact O-N 3.42Å; R167-I211 HydrophobicContact CB-CG1 3.66Å; R167-I211 HydrophobicContact CB-CG2 4.09Å; R167-I211 HydrophobicContact CG-CD1 4.31Å; R167-I211 HydrophobicContact CG-CG1 3.62Å; R167-Y215 HydrophobicContact CG-CD2 4.16Å; R167-Y215 HydrophobicContact CG-CE2 3.92Å; R167-H217 PolarHBondContact O-CD2 2.91Å; R167-H217 PolarHBondContact O-NE2 2.82Å; R167-H217 VanDerWaalsContact O-NE2 3.16Å
168V94.1Very high92.2Very high84 Ų8434.9 Ų34.951%0.50917%0.168SC..Hα-helixtrans-89.3-16.7-178.5-178.80000111.5H164 R170 H217H164-V168 WeakPolarHBondContact O-CG2 3.03Å; H164-V168 PolarHBondContact O-N 3.29Å; H164-V168 VanDerWaalsContact O-N 3.16Å; V168-R170 HydrophobicContact CB-CG 4.24Å; V168-R170 HydrophobicContact CG1-CG 3.92Å; V168-H217 VanDerWaalsContact C-NE2 3.31Å; V168-H217 PolarHBondContact O-NE2 3.11Å
169G95.7Very high93.6Very high21 Ų2136.1 Ų36.122%0.21617%0.172CC..THydrogen-bonded Turntrans83.425-178.600000113.7A165 A166 V171 H217A165-G169 PolarHBondContact O-N 3.26Å; A166-G169 PolarHBondContact O-N 2.86Å; G169-V171 VanDerWaalsContact C-N 3.35Å; G169-V171 PolarHBondContact O-N 2.9Å; G169-H217 VanDerWaalsContact CA-CG 3.5Å; G169-H217 PolarHBondContact N-CD2 3.44Å; G169-H217 PolarHBondContact N-NE2 3.34Å
170R96.5Very high94.7Very high93 Ų9338.3 Ų38.335%0.35118%0.181SC..  trans-81.679.3178.7-65.1-57.5-60.9-124.8-3110.9A165 V168 D172 V173 L174A165-R170 PolarHBondContact O-N 3.16Å; V168-R170 HydrophobicContact CB-CG 4.24Å; V168-R170 HydrophobicContact CG1-CG 3.92Å; R170-D172 VanDerWaalsContact C-N 3.26Å; R170-D172 VanDerWaalsContact C-OD1 3.32Å; R170-D172 WeakPolarHBondContact CB-OD1 3.22Å; R170-D172 IonicContact CZ-OD1 3.29Å; R170-D172 IonicContact CZ-OD2 3.11Å; R170-D172 IonicContact NE-OD1 2.73Å; R170-D172 PolarHBondContact NE-OD1 3.07Å; R170-D172 IonicContact NE-OD2 3.24Å; R170-D172 IonicContact NH2-OD1 3.44Å; R170-D172 IonicContact NH2-OD2 3.6Å; R170-D172 PolarHBondContact NH2-OD2 2.75Å; R170-D172 PolarHBondContact O-N 2.89Å; R170-V173 HydrophobicContact CB-CB 4.06Å; R170-V173 HydrophobicContact CB-CG2 4.19Å; R170-V173 PolarHBondContact O-N 3.36Å; R170-L174 WeakPolarHBondContact O-CB 3.18Å; R170-L174 PolarHBondContact O-N 3Å
171V97.5Very high95Very high50 Ų5043.1 Ų43.130%0.30321%0.206SC..Hα-helixtrans-56-40.9-179.2-1790000111.6G169 L174 Q175 E219 L223G169-V171 VanDerWaalsContact C-N 3.35Å; G169-V171 PolarHBondContact O-N 2.9Å; V171-L174 PolarHBondContact O-N 2.84Å; V171-Q175 VanDerWaalsContact O-CB 3.32Å; V171-Q175 WeakPolarHBondContact O-CB 3.39Å; V171-Q175 PolarHBondContact O-N 3.2Å; V171-E219 HydrophobicContact CG2-CB 3.89Å; V171-L223 HydrophobicContact CG1-CD1 3.5Å
172D97.6Very high95Very high53 Ų5343.5 Ų43.528%0.28321%0.21SC..Hα-helixtrans-57.6-51.7177.256-21.2000112.4L138 R170 Q175 E176L138-D172 HydrophobicContact CD1-CB 4.46Å; L138-D172 HydrophobicContact CD2-CB 4.05Å; R170-D172 VanDerWaalsContact C-N 3.26Å; R170-D172 VanDerWaalsContact C-OD1 3.32Å; R170-D172 WeakPolarHBondContact CB-OD1 3.22Å; R170-D172 IonicContact CZ-OD1 3.29Å; R170-D172 IonicContact CZ-OD2 3.11Å; R170-D172 IonicContact NE-OD1 2.73Å; R170-D172 PolarHBondContact NE-OD1 3.07Å; R170-D172 IonicContact NE-OD2 3.24Å; R170-D172 IonicContact NH2-OD1 3.44Å; R170-D172 IonicContact NH2-OD2 3.6Å; R170-D172 PolarHBondContact NH2-OD2 2.75Å; R170-D172 PolarHBondContact O-N 2.89Å; D172-Q175 PolarHBondContact O-N 2.89Å; D172-E176 PolarHBondContact O-N 3.5Å
173V98.1Very high94.7Very high0 Ų046.1 Ų46.10%022%0.223CC..Hα-helixtrans-68.5-42.3178.8175.70000111.1V133 L138 V141 A165 R170 Q175 E176 L177V133-V173 HydrophobicContact CB-CG1 4.21Å; V133-V173 HydrophobicContact CG1-CG1 3.86Å; V133-V173 HydrophobicContact CG2-CG1 3.72Å; L138-V173 HydrophobicContact CB-CG2 4.47Å; L138-V173 HydrophobicContact CD1-CG2 3.98Å; V141-V173 HydrophobicContact CG1-CG1 4.41Å; V141-V173 HydrophobicContact CG2-CG1 4.34Å; A165-V173 HydrophobicContact CB-CB 4.37Å; A165-V173 HydrophobicContact CB-CG1 4.07Å; R170-V173 HydrophobicContact CB-CB 4.06Å; R170-V173 HydrophobicContact CB-CG2 4.19Å; R170-V173 PolarHBondContact O-N 3.36Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 3.33Å; V173-E176 PolarHBondContact O-N 3.1Å; V173-L177 HydrophobicContact CG1-CD1 4.06Å; V173-L177 HydrophobicContact CG1-CG 4.44Å; V173-L177 WeakPolarHBondContact O-CG 3.3Å; V173-L177 PolarHBondContact O-N 3.37Å
174L97.2Very high94.7Very high0 Ų045.4 Ų45.40%022%0.221CC..Hα-helixtrans-58.5-42.6177.7-167.697.2000111.4L162 A165 A166 R170 V171 L177 I178 C220 L223 L224L162-L174 HydrophobicContact CD1-CD1 3.57Å; L162-L174 HydrophobicContact CD1-CG 3.9Å; L162-L174 HydrophobicContact CG-CD1 3.99Å; A165-L174 HydrophobicContact CB-CB 4.22Å; A165-L174 HydrophobicContact CB-CD1 4.04Å; A166-L174 HydrophobicContact CB-CD1 3.92Å; R170-L174 WeakPolarHBondContact O-CB 3.18Å; R170-L174 PolarHBondContact O-N 3Å; V171-L174 PolarHBondContact O-N 2.84Å; L174-L177 PolarHBondContact O-N 3.23Å; L174-I178 HydrophobicContact CD2-CD1 4.04Å; L174-I178 HydrophobicContact CG-CD1 4.07Å; L174-I178 VanDerWaalsContact O-CG1 3.31Å; L174-I178 WeakPolarHBondContact O-CG1 3.2Å; L174-I178 PolarHBondContact O-N 2.87Å; L174-C220 HydrophobicContact CD2-CB 4.09Å; L174-L223 HydrophobicContact CD2-CB 3.8Å; L174-L223 HydrophobicContact CD2-CD1 4.02Å; L174-L224 HydrophobicContact CD1-CD2 4.29Å; L174-L224 HydrophobicContact CD2-CD2 4.48Å; L174-L224 HydrophobicContact CD2-CG 4.23Å
175Q97.2Very high94.3Very high116 Ų11645.3 Ų45.354%0.54222%0.221SC..Hα-helixtrans-64-42.5179-175.7174.6-4.400112V171 D172 V173 I178 R179 L223V171-Q175 VanDerWaalsContact O-CB 3.32Å; V171-Q175 WeakPolarHBondContact O-CB 3.39Å; V171-Q175 PolarHBondContact O-N 3.2Å; D172-Q175 PolarHBondContact O-N 2.89Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 3.33Å; Q175-I178 PolarHBondContact O-N 3.25Å; Q175-R179 WeakPolarHBondContact O-CB 3.25Å; Q175-R179 PolarHBondContact O-N 3.07Å; Q175-L223 HydrophobicContact CB-CD1 4.43Å
176E97.8Very high93.4Very high15 Ų1547.3 Ų47.37%0.0723%0.231CC..Hα-helixtrans-65.7-42.7175.4-65.1-62.6171.800111.5L138 R142 L145 D172 V173 I178 R179 F180L138-E176 HydrophobicContact CD1-CG 3.86Å; R142-E176 HydrophobicContact CG-CG 4.09Å; R142-E176 IonicContact CZ-OE1 3.88Å; R142-E176 IonicContact NE-OE1 3.93Å; R142-E176 PolarHBondContact NE-OE1 2.91Å; R142-E176 IonicContact NH2-OE1 3.2Å; R142-E176 PolarHBondContact NH2-OE1 3.44Å; L145-E176 HydrophobicContact CD1-CB 4.26Å; D172-E176 PolarHBondContact O-N 3.5Å; V173-E176 PolarHBondContact O-N 3.1Å; E176-I178 VanDerWaalsContact C-N 3.34Å; E176-I178 PolarHBondContact O-N 3.17Å; E176-R179 WeakPolarHBondContact O-CB 3.33Å; E176-R179 PolarHBondContact O-N 3.49Å; E176-R179 VanDerWaalsContact O-N 3.15Å; E176-R179 IonicContact OE1-NH1 3.96Å; E176-R179 WeakPolarHBondContact OE2-CD 3.19Å; E176-R179 IonicContact OE2-CZ 3.21Å; E176-R179 IonicContact OE2-NH1 3.68Å; E176-R179 PolarHBondContact OE2-NH1 3.29Å; E176-F180 WeakPolarHBondContact O-CD2 3.3Å; E176-F180 PolarHBondContact O-N 3.41Å
177L96.9Very high92Very high0 Ų049.4 Ų49.40%024%0.242CC..Hα-helixtrans-58.2-45.9175.9-70.8170.2000111.7L129 V133 L145 P161 L162 A165 V173 L174 R179 F180 N181 A182L129-L177 HydrophobicContact CD2-CD2 4.28Å; V133-L177 HydrophobicContact CG1-CD1 4.43Å; V133-L177 HydrophobicContact CG2-CD1 4.2Å; V133-L177 HydrophobicContact CG2-CD2 4.34Å; L145-L177 HydrophobicContact CD1-CD2 4.29Å; L145-L177 HydrophobicContact CD2-CD2 4.43Å; P161-L177 HydrophobicContact CB-CD1 4.04Å; P161-L177 HydrophobicContact CB-CD2 4.13Å; L162-L177 HydrophobicContact CB-CD1 4.35Å; L162-L177 HydrophobicContact CD1-CB 3.8Å; L162-L177 HydrophobicContact CD1-CD1 4.14Å; A165-L177 HydrophobicContact CB-CD1 4.22Å; V173-L177 HydrophobicContact CG1-CD1 4.06Å; V173-L177 HydrophobicContact CG1-CG 4.44Å; V173-L177 WeakPolarHBondContact O-CG 3.3Å; V173-L177 PolarHBondContact O-N 3.37Å; L174-L177 PolarHBondContact O-N 3.23Å; L177-R179 VanDerWaalsContact C-N 3.34Å; L177-R179 PolarHBondContact O-N 2.92Å; L177-F180 CarbonylContact O-C 3.47Å; L177-F180 PolarHBondContact O-N 2.95Å; L177-N181 PolarHBondContact O-N 3.09Å; L177-A182 HydrophobicContact CB-CB 3.91Å; L177-A182 WeakPolarHBondContact O-CB 3.41Å; L177-A182 PolarHBondContact O-N 2.99Å
178I95.4Very high90.3Very high39 Ų3948.3 Ų48.320%0.224%0.24CC..Hα-helixtrans-63.3-41176.5-69.7166.4000111.1L162 L174 Q175 E176 F180 N181 V184 L223 A227L162-I178 HydrophobicContact CD1-CG1 3.99Å; L174-I178 HydrophobicContact CD2-CD1 4.04Å; L174-I178 HydrophobicContact CG-CD1 4.07Å; L174-I178 VanDerWaalsContact O-CG1 3.31Å; L174-I178 WeakPolarHBondContact O-CG1 3.2Å; L174-I178 PolarHBondContact O-N 2.87Å; Q175-I178 PolarHBondContact O-N 3.25Å; E176-I178 VanDerWaalsContact C-N 3.34Å; E176-I178 PolarHBondContact O-N 3.17Å; I178-F180 PolarHBondContact O-N 3.41Å; I178-N181 PolarHBondContact O-N 3.07Å; I178-V184 HydrophobicContact CG1-CG1 4.19Å; I178-L223 HydrophobicContact CD1-CB 4.41Å; I178-A227 HydrophobicContact CD1-CB 4.06Å; I178-A227 HydrophobicContact CG1-CB 4.35Å; I178-A227 HydrophobicContact CG2-CB 3.75Å
179R95.1Very high88.2Confident158 Ų15847.3 Ų47.360%0.59623%0.23SC*.Hα-helixtrans-58.3-39177.4178.7-173.1175-167.7-2.8111.5Q175 E176 L177 N181Q175-R179 WeakPolarHBondContact O-CB 3.25Å; Q175-R179 PolarHBondContact O-N 3.07Å; E176-R179 WeakPolarHBondContact O-CB 3.33Å; E176-R179 PolarHBondContact O-N 3.49Å; E176-R179 VanDerWaalsContact O-N 3.15Å; E176-R179 IonicContact OE1-NH1 3.96Å; E176-R179 WeakPolarHBondContact OE2-CD 3.19Å; E176-R179 IonicContact OE2-CZ 3.21Å; E176-R179 IonicContact OE2-NH1 3.68Å; E176-R179 PolarHBondContact OE2-NH1 3.29Å; L177-R179 VanDerWaalsContact C-N 3.34Å; L177-R179 PolarHBondContact O-N 2.92Å; R179-N181 VanDerWaalsContact C-N 3.26Å; R179-N181 PolarHBondContact O-N 3.41Å
180F95.4Very high86Confident56 Ų5653 Ų5325%0.24625%0.254CS..THydrogen-bonded Turntrans-89.223.1175.3-76.6-93.5000113.6L145 E146 P151 E176 L177 I178 A182L145-F180 HydrophobicContact CB-CB 4.29Å; L145-F180 HydrophobicContact CB-CD1 3.8Å; L145-F180 HydrophobicContact CB-CD2 3.76Å; L145-F180 HydrophobicContact CB-CE1 3.96Å; L145-F180 HydrophobicContact CB-CE2 3.93Å; L145-F180 HydrophobicContact CB-CG 3.69Å; L145-F180 HydrophobicContact CB-CZ 4.03Å; L145-F180 HydrophobicContact CD1-CB 4.14Å; L145-F180 HydrophobicContact CD1-CD2 3.73Å; L145-F180 HydrophobicContact CD1-CE2 4.38Å; L145-F180 HydrophobicContact CD1-CG 4.05Å; L145-F180 HydrophobicContact CD2-CB 3.87Å; L145-F180 HydrophobicContact CD2-CG 4.22Å; L145-F180 HydrophobicContact CG-CB 4.32Å; L145-F180 HydrophobicContact CG-CD2 4.27Å; L145-F180 HydrophobicContact CG-CG 4.2Å; L145-F180 WeakPolarHBondContact O-CE1 3.38Å; E146-F180 HydrophobicContact CG-CE1 4.42Å; E146-F180 HydrophobicContact CG-CZ 3.76Å; P151-F180 WeakPolarHBondContact CG-O 3.49Å; E176-F180 WeakPolarHBondContact O-CD2 3.3Å; E176-F180 PolarHBondContact O-N 3.41Å; L177-F180 CarbonylContact O-C 3.47Å; L177-F180 PolarHBondContact O-N 2.95Å; I178-F180 PolarHBondContact O-N 3.41Å; F180-A182 PolarHBondContact O-N 3.4Å
181N92.3Very high83.7Confident102 Ų10250.6 Ų50.655%0.54526%0.259SS..THydrogen-bonded Turntrans65.731.5171.9-60.6113.3000115.6L177 I178 R179 D183L177-N181 PolarHBondContact O-N 3.09Å; I178-N181 PolarHBondContact O-N 3.07Å; R179-N181 VanDerWaalsContact C-N 3.26Å; R179-N181 PolarHBondContact O-N 3.41Å; N181-D183 PolarHBondContact O-N 3.23Å
182A92Very high81.1Confident8 Ų855 Ų557%0.06629%0.289CS..  trans-52.5133.8160.900000110P151 L162 L177 F180 V184P151-A182 HydrophobicContact CB-CB 3.95Å; L162-A182 HydrophobicContact CB-CB 4.5Å; L162-A182 HydrophobicContact CD1-CB 4.2Å; L162-A182 HydrophobicContact CD2-CB 4.4Å; L177-A182 HydrophobicContact CB-CB 3.91Å; L177-A182 WeakPolarHBondContact O-CB 3.41Å; L177-A182 PolarHBondContact O-N 2.99Å; F180-A182 PolarHBondContact O-N 3.4Å; A182-V184 PolarHBondContact O-N 3.03Å
183D88.3Confident78.5Confident54 Ų5463 Ų6329%0.28932%0.315SS..  trans-83120.6176.5173.318.3000110.1N152 N181 D185 M186 K326N152-D183 PolarHBondContact OD1-N 3.18Å; N181-D183 PolarHBondContact O-N 3.23Å; D183-D185 VanDerWaalsContact C-N 3.26Å; D183-D185 PolarHBondContact O-N 3.12Å; D183-D185 PolarHBondContact OD1-N 3.22Å; D183-M186 HydrophobicContact CB-CG 3.56Å; D183-M186 HydrophobicContact CB-SD 3.63Å; D183-M186 WeakPolarHBondContact O-CG 3.49Å; D183-M186 PolarHBondContact O-N 3.28Å; D183-K326 IonicContact OD1-NZ 3.87Å; D183-K326 PolarHBondContact OD1-NZ 3.26Å
184V89.7Confident75.9Confident5 Ų569.2 Ų69.23%0.0335%0.347CS..THydrogen-bonded Turntrans-72.7-16.4-174.9-62.20000114.1L162 I178 A182 L224 A227 A229 K326L162-V184 HydrophobicContact CD2-CB 4.15Å; L162-V184 HydrophobicContact CD2-CG1 3.87Å; I178-V184 HydrophobicContact CG1-CG1 4.19Å; A182-V184 PolarHBondContact O-N 3.03Å; V184-L224 HydrophobicContact CB-CD2 4.12Å; V184-L224 HydrophobicContact CG1-CD2 3.97Å; V184-A227 HydrophobicContact CG1-CB 3.78Å; V184-A229 HydrophobicContact CB-CB 4.17Å; V184-A229 HydrophobicContact CG2-CB 3.92Å; V184-K326 HydrophobicContact CG2-CD 3.94Å
185D83Confident73.5Confident11 Ų1178.3 Ų78.36%0.05940%0.395CS..THydrogen-bonded Turntrans-12435.9173.7-47.5-51.5000111.4D183 D187 A229 Q230 K326D183-D185 VanDerWaalsContact C-N 3.26Å; D183-D185 PolarHBondContact O-N 3.12Å; D183-D185 PolarHBondContact OD1-N 3.22Å; D185-D187 PolarHBondContact O-N 3.49Å; D185-A229 WeakPolarHBondContact OD1-CA 3.45Å; D185-Q230 PolarHBondContact OD1-N 3.2Å; D185-Q230 VanDerWaalsContact OD1-N 3.13Å; D185-Q230 PolarHBondContact OD2-N 2.91Å; D185-Q230 VanDerWaalsContact OD2-N 3.09Å; D185-K326 VanDerWaalsContact CG-NZ 3.26Å; D185-K326 WeakPolarHBondContact OD2-CE 3.43Å; D185-K326 IonicContact OD2-NZ 3.05Å; D185-K326 PolarHBondContact OD2-NZ 3.4Å
186M75.3Confident70.9Confident45 Ų4580 Ų8022%0.22241%0.407CS..  trans-52128.7177.9-85.4-60.8-75.800111.8N152 T160 D183N152-M186 HydrophobicContact CB-CE 4Å; N152-M186 HydrophobicContact CB-CG 4.28Å; N152-M186 HydrophobicContact CB-SD 4.44Å; N152-M186 WeakPolarHBondContact OD1-CG 3.48Å; T160-M186 HydrophobicContact CG2-CB 3.76Å; T160-M186 HydrophobicContact CG2-CG 4.18Å; D183-M186 HydrophobicContact CB-CG 3.56Å; D183-M186 HydrophobicContact CB-SD 3.63Å; D183-M186 WeakPolarHBondContact O-CG 3.49Å; D183-M186 PolarHBondContact O-N 3.28Å
187D65.4Low68.4Low44 Ų4482.7 Ų82.724%0.23543%0.428CS..  trans-118.8108.2169.3-172.37.4000110.5D185 Q189 R199D185-D187 PolarHBondContact O-N 3.49Å; D187-Q189 PolarHBondContact O-N 2.94Å; D187-Q189 VanDerWaalsContact O-N 3.09Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.47Å; D187-Q189 WeakPolarHBondContact OD1-CG 3.32Å; D187-Q189 PolarHBondContact OD1-N 3.29Å; D187-R199 IonicContact OD2-NH1 2.88Å
188H55.4Low66Low61 Ų6185 Ų8528%0.28245%0.447SS..THydrogen-bonded Turntrans-67.8-2.8175.2-66.2-74.5000113.7S154 R158 T160S154-H188 PolarHBondContact O-CE1 3.33Å; R158-H188 HydrophobicContact CB-CB 4.09Å; R158-H188 HydrophobicContact CG-CB 4.47Å; R158-H188 PolarHBondContact O-CD2 2.95Å; T160-H188 WeakPolarHBondContact CG2-NE2 3.24Å
189Q51.3Low63.8Low62 Ų6286.2 Ų86.229%0.2945%0.449SS..THydrogen-bonded Turntrans-94.6-3.7-173.4-58.9-91.213.400114.1R158 D187 G191R158-Q189 VanDerWaalsContact CD-NE2 3.25Å; R158-Q189 VanDerWaalsContact CZ-NE2 3.33Å; D187-Q189 PolarHBondContact O-N 2.94Å; D187-Q189 VanDerWaalsContact O-N 3.09Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.47Å; D187-Q189 WeakPolarHBondContact OD1-CG 3.32Å; D187-Q189 PolarHBondContact OD1-N 3.29Å; Q189-G191 PolarHBondContact O-N 3.29Å; Q189-G191 VanDerWaalsContact O-N 3.08Å
190L48.9Very low61.5Low140 Ų14079.4 Ų79.473%0.73343%0.425SS*.  trans-8552.2175.4-68.7169.2000112.2
191G48.3Very low59.3Low43 Ų4376.9 Ų76.944%0.44341%0.414SS..SBendtrans-68.4163.9142.100000109.2Q189 R193Q189-G191 PolarHBondContact O-N 3.29Å; Q189-G191 VanDerWaalsContact O-N 3.08Å; G191-R193 PolarHBondContact O-N 3.39Å
192P41.8Very low56.9Low143 Ų14375.8 Ų75.893%0.92941%0.408SS*.SBendtrans-69.732.8-171.127.6-34.7000115.9
193R44.5Very low54.9Low222 Ų22279.3 Ų79.384%0.83843%0.429SS*.  trans-117.5109.9-178.4-81.6-175.9163.4148.6-3.2113.9G191G191-R193 PolarHBondContact O-N 3.39Å
194L42.8Very low53.1Low129 Ų12977.5 Ų77.568%0.67542%0.419SS*.  trans71.596.6147.6-60.8168.1000118.5L196L194-L196 HydrophobicContact CD2-CD1 4.26Å; L194-L196 PolarHBondContact O-N 3.47Å
195L46.5Very low51.3Low191 Ų19182 Ų82100%145%0.446SS*.THydrogen-bonded Turntrans-58.318160.2-67166000114.8
196L43.1Very low50.8Low152 Ų15282.3 Ų82.380%0.79645%0.449SS*.THydrogen-bonded Turntrans-121.41.5-166.6-75.3164.7000114.9L194L194-L196 HydrophobicContact CD2-CD1 4.26Å; L194-L196 PolarHBondContact O-N 3.47Å
197S45.7Very low51.1Low72 Ų7280.2 Ų80.250%0.50344%0.438SS..  trans-111.6102.4171.963.30000112.9R199S197-R199 PolarHBondContact O-N 2.91Å
198A46.3Very low52.2Low49 Ų4978.2 Ų78.241%0.40543%0.427SS..  trans-18.5113.5138.500000115.9C240A198-C240 HydrophobicContact CB-CB 2.94Å; A198-C240 WeakPolarHBondContact CB-SG 3.39Å
199R48.6Very low53.9Low63 Ų6375.3 Ų75.324%0.23841%0.414CS..  trans-122.5139.3172.5-65.7-176.5-175.1170.21.5112.4D187 S197 V239D187-R199 IonicContact OD2-NH1 2.88Å; S197-R199 PolarHBondContact O-N 2.91Å; R199-V239 WeakPolarHBondContact O-CG1 3.33Å
200T47Very low55.6Low15 Ų1574.9 Ų74.99%0.09241%0.41CS..  trans-86.6157.4176.840.70000112.1N202 T203 A243 L244 L248T200-N202 WeakPolarHBondContact CB-OD1 3.46Å; T200-N202 PolarHBondContact O-N 2.93Å; T200-N202 PolarHBondContact OG1-OD1 3.13Å; T200-T203 PolarHBondContact N-OG1 3.43Å; T200-T203 VanDerWaalsContact N-OG1 3.12Å; T200-T203 PolarHBondContact O-N 3.29Å; T200-T203 PolarHBondContact O-OG1 3.27Å; T200-T203 PolarHBondContact OG1-OG1 3.13Å; T200-A243 HydrophobicContact CG2-CB 3.59Å; T200-A243 WeakPolarHBondContact CG2-O 3.38Å; T200-L244 HydrophobicContact CG2-CD2 4.43Å; T200-L248 HydrophobicContact CG2-CD1 4.24Å
201L48.4Very low57.4Low4 Ų468.8 Ų68.82%0.02138%0.378CS..G310 helixtrans-60.5-20.9177.9-64.4-175.2000114.2L204 F233 A249 C251 L252 A255L201-L204 HydrophobicContact CB-CD1 4.31Å; L201-L204 HydrophobicContact CD2-CD1 3.33Å; L201-L204 HydrophobicContact CD2-CG 4.46Å; L201-L204 HydrophobicContact CG-CD1 4.37Å; L201-L204 VanDerWaalsContact O-CB 3.25Å; L201-L204 WeakPolarHBondContact O-CB 3.49Å; L201-L204 PolarHBondContact O-N 3.29Å; L201-F233 HydrophobicContact CD2-CD1 4.46Å; L201-A249 VanDerWaalsContact CB-O 3.3Å; L201-A249 WeakPolarHBondContact CB-O 3.32Å; L201-A249 HydrophobicContact CD1-CB 3.56Å; L201-A249 WeakPolarHBondContact CD1-O 3.34Å; L201-A249 WeakPolarHBondContact CG-O 3.4Å; L201-C251 VanDerWaalsContact CD1-C 3.41Å; L201-C251 VanDerWaalsContact CD1-O 3.23Å; L201-C251 WeakPolarHBondContact CD1-O 3.37Å; L201-L252 HydrophobicContact CD2-CD2 4.35Å; L201-A255 HydrophobicContact CD1-CB 4.28Å
202N42.1Very low59.5Low78 Ų7866.7 Ų66.742%0.41736%0.357SS..G310 helixtrans-83-10.3173.871.4-20.2000114.2T200 L204 V205 L248T200-N202 WeakPolarHBondContact CB-OD1 3.46Å; T200-N202 PolarHBondContact O-N 2.93Å; T200-N202 PolarHBondContact OG1-OD1 3.13Å; N202-L204 VanDerWaalsContact C-N 3.3Å; N202-V205 VanDerWaalsContact O-CG2 3.26Å; N202-V205 WeakPolarHBondContact O-CG2 3.35Å; N202-L248 HydrophobicContact CB-CD1 4.39Å; N202-L248 HydrophobicContact CB-CD2 3.86Å; N202-L248 WeakPolarHBondContact ND2-CD1 3.13Å; N202-L248 VanDerWaalsContact ND2-CD2 3.3Å; N202-L248 WeakPolarHBondContact ND2-CD2 3.27Å; N202-L248 WeakPolarHBondContact OD1-CD1 3.46Å
203T49.8Very low61.9Low82 Ų8259.9 Ų59.950%0.50331%0.313SS..G310 helixtrans-86.7-4.8163.725.60000111.7T200 V205T200-T203 PolarHBondContact N-OG1 3.43Å; T200-T203 VanDerWaalsContact N-OG1 3.12Å; T200-T203 PolarHBondContact O-N 3.29Å; T200-T203 PolarHBondContact O-OG1 3.27Å; T200-T203 PolarHBondContact OG1-OG1 3.13Å; T203-V205 PolarHBondContact O-N 3.09Å
204L51.3Low64Low17 Ų1750.6 Ų50.69%0.08928%0.283CS..  trans-83.649.1166.7-56177.4000112.5L201 N202 V206 C207 N234 Y235L201-L204 HydrophobicContact CB-CD1 4.31Å; L201-L204 HydrophobicContact CD2-CD1 3.33Å; L201-L204 HydrophobicContact CD2-CG 4.46Å; L201-L204 HydrophobicContact CG-CD1 4.37Å; L201-L204 VanDerWaalsContact O-CB 3.25Å; L201-L204 WeakPolarHBondContact O-CB 3.49Å; L201-L204 PolarHBondContact O-N 3.29Å; N202-L204 VanDerWaalsContact C-N 3.3Å; L204-V206 PolarHBondContact O-N 3.49Å; L204-C207 HydrophobicContact CB-CB 4.26Å; L204-C207 PolarHBondContact O-N 3.36Å; L204-N234 HydrophobicContact CD1-CB 3.99Å; L204-N234 HydrophobicContact CD2-CB 3.94Å; L204-N234 HydrophobicContact CG-CB 4.49Å; L204-Y235 HydrophobicContact CD2-CD1 4.18Å; L204-Y235 HydrophobicContact CD2-CE1 4.48Å
205V52.4Low66.3Low99 Ų9950.8 Ų50.860%0.628%0.276SS*.THydrogen-bonded Turntrans-62.912.7179.9-171.90000113.1Y163 N202 T203Y163-V205 WeakPolarHBondContact CE2-O 3.36Å; Y163-V205 PolarHBondContact OH-O 3.36Å; N202-V205 VanDerWaalsContact O-CG2 3.26Å; N202-V205 WeakPolarHBondContact O-CG2 3.35Å; T203-V205 PolarHBondContact O-N 3.09Å
206V70.9Confident68.5Low18 Ų1846.2 Ų46.211%0.10925%0.249CC..THydrogen-bonded Turntrans-140.313-176.3-133.50000116R158 S159 Y163 L204 P208R158-V206 HydrophobicContact CB-CG2 4.12Å; R158-V206 VanDerWaalsContact O-CB 3.29Å; R158-V206 WeakPolarHBondContact O-CB 3.15Å; R158-V206 WeakPolarHBondContact O-CG1 3.2Å; R158-V206 WeakPolarHBondContact O-CG2 3.32Å; S159-V206 VanDerWaalsContact CA-CG1 3.49Å; Y163-V206 HydrophobicContact CD1-CG1 4.38Å; Y163-V206 VanDerWaalsContact CD2-CA 3.45Å; Y163-V206 HydrophobicContact CD2-CG1 4.12Å; Y163-V206 WeakPolarHBondContact CD2-O 3.24Å; Y163-V206 HydrophobicContact CG-CG1 3.92Å; L204-V206 PolarHBondContact O-N 3.49Å; V206-P208 WeakPolarHBondContact O-CD 3.37Å
207C82.3Confident71.1Confident1 Ų141.5 Ų41.51%0.00722%0.223CC..  trans-78.5113.6176.5178.80000110.5L204 L209 Y210 I211 N234L204-C207 HydrophobicContact CB-CB 4.26Å; L204-C207 PolarHBondContact O-N 3.36Å; C207-L209 PolarHBondContact O-N 3.47Å; C207-Y210 PolarHBondContact O-N 2.89Å; C207-Y210 PolarHBondContact SG-N 3.43Å; C207-I211 PolarHBondContact O-N 3.02Å; C207-N234 WeakPolarHBondContact CA-OD1 3.45Å; C207-N234 HydrophobicContact CB-CB 3.65Å; C207-N234 VanDerWaalsContact CB-CG 3.41Å; C207-N234 WeakPolarHBondContact CB-OD1 3.38Å; C207-N234 VanDerWaalsContact SG-CG 3.58Å; C207-N234 PolarHBondContact SG-OD1 2.88Å
208P88.8Confident73.6Confident1 Ų139.3 Ų39.31%0.00621%0.206CC..Hα-helixtrans-62.1-33.6179.5-21.635.7000111.9L162 A166 V206 I211 S212 L224L162-P208 HydrophobicContact CD2-CB 4.4Å; L162-P208 HydrophobicContact CD2-CG 4.06Å; L162-P208 HydrophobicContact CG-CB 4.46Å; L162-P208 HydrophobicContact CG-CG 4.37Å; A166-P208 HydrophobicContact CB-CB 3.92Å; A166-P208 WeakPolarHBondContact CB-O 3.49Å; V206-P208 WeakPolarHBondContact O-CD 3.37Å; P208-I211 WeakPolarHBondContact O-CG2 3.31Å; P208-S212 WeakPolarHBondContact O-CB 3.49Å; P208-S212 PolarHBondContact O-N 3.18Å; P208-S212 VanDerWaalsContact O-N 3.12Å; P208-S212 PolarHBondContact O-OG 3.42Å; P208-L224 VanDerWaalsContact C-CD1 3.41Å; P208-L224 HydrophobicContact CB-CD1 3.72Å; P208-L224 HydrophobicContact CB-CD2 3.88Å; P208-L224 HydrophobicContact CB-CG 4.48Å; P208-L224 WeakPolarHBondContact O-CD1 3.11Å
209L90.6Very high76Confident0 Ų041.4 Ų41.40%021%0.207CC..Hα-helixtrans-69-45.8179-169.266.9000111.5C207 S212 A213 F221 L224 L225 A229 Q230 L252 L269C207-L209 PolarHBondContact O-N 3.47Å; L209-S212 PolarHBondContact O-OG 3.26Å; L209-A213 PolarHBondContact O-N 3.39Å; L209-F221 HydrophobicContact CD1-CD1 4.16Å; L209-F221 HydrophobicContact CD1-CD2 3.45Å; L209-F221 VanDerWaalsContact CD1-CD2 3.45Å; L209-F221 HydrophobicContact CD1-CE1 4.15Å; L209-F221 HydrophobicContact CD1-CE2 3.42Å; L209-F221 VanDerWaalsContact CD1-CE2 3.42Å; L209-F221 HydrophobicContact CD1-CG 3.83Å; L209-F221 HydrophobicContact CD1-CZ 3.79Å; L209-F221 HydrophobicContact CD2-CE2 4.5Å; L209-F221 HydrophobicContact CG-CD2 4.01Å; L209-F221 HydrophobicContact CG-CE2 3.56Å; L209-F221 HydrophobicContact CG-CZ 4.03Å; L209-F221 WeakPolarHBondContact O-CD2 3.47Å; L209-F221 VanDerWaalsContact O-CE2 3.27Å; L209-F221 WeakPolarHBondContact O-CE2 2.78Å; L209-L224 HydrophobicContact CB-CD1 4.46Å; L209-L224 HydrophobicContact CD1-CB 4Å; L209-L224 HydrophobicContact CD1-CD1 4.42Å; L209-L225 HydrophobicContact CD1-CD1 4.38Å; L209-L225 HydrophobicContact CD1-CD2 4.07Å; L209-L225 HydrophobicContact CD1-CG 3.77Å; L209-L225 HydrophobicContact CD2-CD2 3.87Å; L209-L225 HydrophobicContact CD2-CG 4.48Å; L209-A229 HydrophobicContact CD2-CB 4.33Å; L209-Q230 WeakPolarHBondContact CD2-O 3.44Å; L209-L252 HydrophobicContact CB-CD1 4.3Å; L209-L252 HydrophobicContact CD2-CD1 4.06Å; L209-L252 HydrophobicContact CD2-CG 4.15Å; L209-L252 HydrophobicContact CG-CD1 3.92Å; L209-L269 HydrophobicContact CD2-CD2 4.33Å
210Y87.2Confident78.3Confident54 Ų5438.4 Ų38.421%0.21220%0.196CC..Hα-helixtrans-63.8-46.2176.9169.9-94.6000111.9C207 S212 A213 A214 A255 H259C207-Y210 PolarHBondContact O-N 2.89Å; C207-Y210 PolarHBondContact SG-N 3.43Å; Y210-S212 VanDerWaalsContact C-N 3.33Å; Y210-S212 PolarHBondContact O-N 2.98Å; Y210-A213 WeakPolarHBondContact O-CB 3.33Å; Y210-A213 PolarHBondContact O-N 3.05Å; Y210-A214 HydrophobicContact CE1-CB 4.32Å; Y210-A214 PolarHBondContact O-N 2.89Å; Y210-A255 HydrophobicContact CD2-CB 3.72Å; Y210-A255 HydrophobicContact CE2-CB 3.64Å; Y210-H259 AromaticContact CE2-NE2 3.53Å; Y210-H259 AromaticContact CZ-NE2 3.51Å; Y210-H259 PolarHBondContact OH-NE2 3.01Å; Y210-H259 VanDerWaalsContact OH-NE2 3.15Å
211I87.5Confident80.7Confident11 Ų1137.7 Ų37.76%0.05619%0.191CC..Hα-helixtrans-68.5-34.6-174.7-15965.7000111.8Y163 A166 R167 C207 P208 A213 A214 Y215Y163-I211 HydrophobicContact CD2-CB 4.12Å; Y163-I211 HydrophobicContact CD2-CG2 3.66Å; Y163-I211 HydrophobicContact CE2-CB 3.5Å; Y163-I211 HydrophobicContact CE2-CD1 4.24Å; Y163-I211 HydrophobicContact CE2-CG1 3.76Å; Y163-I211 HydrophobicContact CE2-CG2 3.58Å; Y163-I211 HydrophobicContact CG-CG2 4.45Å; Y163-I211 WeakPolarHBondContact OH-CD1 3.29Å; A166-I211 HydrophobicContact CB-CG2 3.96Å; R167-I211 HydrophobicContact CB-CG1 3.66Å; R167-I211 HydrophobicContact CB-CG2 4.09Å; R167-I211 HydrophobicContact CG-CD1 4.31Å; R167-I211 HydrophobicContact CG-CG1 3.62Å; C207-I211 PolarHBondContact O-N 3.02Å; P208-I211 WeakPolarHBondContact O-CG2 3.31Å; I211-A213 VanDerWaalsContact C-N 3.33Å; I211-A213 PolarHBondContact O-N 3.43Å; I211-A214 PolarHBondContact O-N 3.29Å; I211-Y215 HydrophobicContact CD1-CD2 3.86Å; I211-Y215 HydrophobicContact CD1-CE2 3.55Å; I211-Y215 HydrophobicContact CG1-CD2 3.97Å; I211-Y215 HydrophobicContact CG1-CE2 4.02Å; I211-Y215 WeakPolarHBondContact O-CD2 3.4Å; I211-Y215 PolarHBondContact O-N 3.42Å; I211-Y215 VanDerWaalsContact O-N 3.12Å
212S92.8Very high83Confident0 Ų041.9 Ų41.90%021%0.207CC..Hα-helixtrans-65.7-35.3173.650.80000112P208 L209 Y210 H216 H217 F221P208-S212 WeakPolarHBondContact O-CB 3.49Å; P208-S212 PolarHBondContact O-N 3.18Å; P208-S212 VanDerWaalsContact O-N 3.12Å; P208-S212 PolarHBondContact O-OG 3.42Å; L209-S212 PolarHBondContact O-OG 3.26Å; Y210-S212 VanDerWaalsContact C-N 3.33Å; Y210-S212 PolarHBondContact O-N 2.98Å; S212-H216 PolarHBondContact O-N 3.16Å; S212-H216 VanDerWaalsContact O-N 3.1Å; S212-H217 PolarHBondContact O-N 3.34Å; S212-F221 WeakPolarHBondContact OG-CD2 3.37Å
213A91.4Very high85.6Confident0 Ų040 Ų400%020%0.197CC..Hα-helixtrans-67.4-46.4170.900000112.9L209 Y210 I211 Y215 H216 F221 V256 C261 F265L209-A213 PolarHBondContact O-N 3.39Å; Y210-A213 WeakPolarHBondContact O-CB 3.33Å; Y210-A213 PolarHBondContact O-N 3.05Å; I211-A213 VanDerWaalsContact C-N 3.33Å; I211-A213 PolarHBondContact O-N 3.43Å; A213-Y215 PolarHBondContact O-N 3.14Å; A213-Y215 VanDerWaalsContact O-N 3.17Å; A213-H216 PolarHBondContact O-N 3.24Å; A213-F221 HydrophobicContact CB-CD2 3.93Å; A213-F221 HydrophobicContact CB-CE2 3.73Å; A213-V256 HydrophobicContact CB-CG2 3.84Å; A213-C261 PolarHBondContact O-SG 3.31Å; A213-C261 VanDerWaalsContact O-SG 3.37Å; A213-F265 HydrophobicContact CB-CD1 4.09Å; A213-F265 HydrophobicContact CB-CE1 4.1Å
214A88.6Confident87.8Confident26 Ų2636.1 Ų36.122%0.21517%0.173CC..Hα-helixtrans-59.7-28.1-179.700000113.3Y210 I211Y210-A214 HydrophobicContact CE1-CB 4.32Å; Y210-A214 PolarHBondContact O-N 2.89Å; I211-A214 PolarHBondContact O-N 3.29Å
215Y91.1Very high89.9Confident133 Ų13335.3 Ų35.352%0.52217%0.168SC..THydrogen-bonded Turntrans-103.610175.6-74-98000113.5R167 I211 A213 H217R167-Y215 HydrophobicContact CG-CD2 4.16Å; R167-Y215 HydrophobicContact CG-CE2 3.92Å; I211-Y215 HydrophobicContact CD1-CD2 3.86Å; I211-Y215 HydrophobicContact CD1-CE2 3.55Å; I211-Y215 HydrophobicContact CG1-CD2 3.97Å; I211-Y215 HydrophobicContact CG1-CE2 4.02Å; I211-Y215 WeakPolarHBondContact O-CD2 3.4Å; I211-Y215 PolarHBondContact O-N 3.42Å; I211-Y215 VanDerWaalsContact O-N 3.12Å; A213-Y215 PolarHBondContact O-N 3.14Å; A213-Y215 VanDerWaalsContact O-N 3.17Å; Y215-H217 VanDerWaalsContact C-N 3.3Å; Y215-H217 PolarHBondContact O-N 3.22Å
216H93.7Very high91.9Very high95 Ų9533.4 Ų33.444%0.4416%0.155SC..THydrogen-bonded Turntrans57.833.4177-61.6-109.3000114.9S212 A213 L218S212-H216 PolarHBondContact O-N 3.16Å; S212-H216 VanDerWaalsContact O-N 3.1Å; A213-H216 PolarHBondContact O-N 3.24Å; H216-L218 PolarHBondContact O-N 3Å
217H97.1Very high92.9Very high53 Ų5333.6 Ų33.625%0.24516%0.158CC..  trans-87.777.5175.2-63.4-47.3000111.8A166 R167 V168 G169 S212 Y215 E219 C220 F221A166-H217 PolarHBondContact O-CD2 2.95Å; A166-H217 VanDerWaalsContact O-CD2 3.27Å; R167-H217 PolarHBondContact O-CD2 2.91Å; R167-H217 PolarHBondContact O-NE2 2.82Å; R167-H217 VanDerWaalsContact O-NE2 3.16Å; V168-H217 VanDerWaalsContact C-NE2 3.31Å; V168-H217 PolarHBondContact O-NE2 3.11Å; G169-H217 VanDerWaalsContact CA-CG 3.5Å; G169-H217 PolarHBondContact N-CD2 3.44Å; G169-H217 PolarHBondContact N-NE2 3.34Å; S212-H217 PolarHBondContact O-N 3.34Å; Y215-H217 VanDerWaalsContact C-N 3.3Å; Y215-H217 PolarHBondContact O-N 3.22Å; H217-E219 VanDerWaalsContact C-N 3.34Å; H217-E219 PolarHBondContact O-N 3.19Å; H217-C220 HydrophobicContact CB-CB 4.09Å; H217-C220 PolarHBondContact O-N 3.36Å; H217-F221 WeakPolarHBondContact O-CB 3.43Å; H217-F221 PolarHBondContact O-N 3.44Å
218L97.1Very high93.4Very high27 Ų2734.3 Ų34.314%0.14117%0.166CC..Hα-helixtrans-55.9-43.3-174.5-177.869.7000113.3H216 F221 R222 E262 F265 L268H216-L218 PolarHBondContact O-N 3Å; L218-F221 WeakPolarHBondContact O-CB 3.49Å; L218-F221 PolarHBondContact O-N 3.45Å; L218-R222 WeakPolarHBondContact O-CB 2.86Å; L218-R222 PolarHBondContact O-N 2.75Å; L218-E262 WeakPolarHBondContact CD2-OE1 3.02Å; L218-F265 VanDerWaalsContact CA-CZ 3.44Å; L218-F265 HydrophobicContact CB-CE2 3.89Å; L218-F265 HydrophobicContact CB-CZ 3.83Å; L218-F265 HydrophobicContact CD1-CD1 4.35Å; L218-F265 HydrophobicContact CD1-CD2 3.67Å; L218-F265 HydrophobicContact CD1-CE1 4.3Å; L218-F265 HydrophobicContact CD1-CE2 3.62Å; L218-F265 HydrophobicContact CD1-CG 4.05Å; L218-F265 HydrophobicContact CD1-CZ 3.96Å; L218-F265 HydrophobicContact CG-CE2 4.35Å; L218-L268 HydrophobicContact CD1-CD1 3.65Å; L218-L268 HydrophobicContact CG-CD1 4.48Å
219E97.7Very high93.5Very high92 Ų9234.5 Ų34.543%0.4317%0.167SC..Hα-helixtrans-70.4-37.6-176.7-67.9-52.6129.800112.5V171 H217 F221 R222 L223V171-E219 HydrophobicContact CG2-CB 3.89Å; H217-E219 VanDerWaalsContact C-N 3.34Å; H217-E219 PolarHBondContact O-N 3.19Å; E219-F221 VanDerWaalsContact C-N 3.32Å; E219-F221 PolarHBondContact O-N 3.33Å; E219-R222 PolarHBondContact O-N 2.89Å; E219-R222 IonicContact OE1-NE 3.28Å; E219-R222 IonicContact OE1-NH2 2.63Å; E219-R222 IonicContact OE2-NE 2.72Å; E219-L223 WeakPolarHBondContact O-CB 3.29Å; E219-L223 WeakPolarHBondContact O-CG 3.36Å; E219-L223 PolarHBondContact O-N 3.19Å
220C97.4Very high93.3Very high1 Ų137.6 Ų37.61%0.00718%0.182CC..Hα-helixtrans-61.4-44.5170-70.70000111L174 H217 R222 L223 L224L174-C220 HydrophobicContact CD2-CB 4.09Å; H217-C220 HydrophobicContact CB-CB 4.09Å; H217-C220 PolarHBondContact O-N 3.36Å; C220-R222 PolarHBondContact O-N 2.85Å; C220-L223 PolarHBondContact O-N 2.72Å; C220-L224 VanDerWaalsContact O-CG 3.27Å; C220-L224 WeakPolarHBondContact O-CG 3.39Å; C220-L224 PolarHBondContact O-N 3.01Å
221F96.7Very high93.4Very high0 Ų035.3 Ų35.30%017%0.173CC..Hα-helixtrans-59.4-46.3178.9-168.1-91.7000111.8L209 S212 A213 H217 L218 E219 L224 L225 L252 V256 F265 L268 L269L209-F221 HydrophobicContact CD1-CD1 4.16Å; L209-F221 HydrophobicContact CD1-CD2 3.45Å; L209-F221 VanDerWaalsContact CD1-CD2 3.45Å; L209-F221 HydrophobicContact CD1-CE1 4.15Å; L209-F221 HydrophobicContact CD1-CE2 3.42Å; L209-F221 VanDerWaalsContact CD1-CE2 3.42Å; L209-F221 HydrophobicContact CD1-CG 3.83Å; L209-F221 HydrophobicContact CD1-CZ 3.79Å; L209-F221 HydrophobicContact CD2-CE2 4.5Å; L209-F221 HydrophobicContact CG-CD2 4.01Å; L209-F221 HydrophobicContact CG-CE2 3.56Å; L209-F221 HydrophobicContact CG-CZ 4.03Å; L209-F221 WeakPolarHBondContact O-CD2 3.47Å; L209-F221 VanDerWaalsContact O-CE2 3.27Å; L209-F221 WeakPolarHBondContact O-CE2 2.78Å; S212-F221 WeakPolarHBondContact OG-CD2 3.37Å; A213-F221 HydrophobicContact CB-CD2 3.93Å; A213-F221 HydrophobicContact CB-CE2 3.73Å; H217-F221 WeakPolarHBondContact O-CB 3.43Å; H217-F221 PolarHBondContact O-N 3.44Å; L218-F221 WeakPolarHBondContact O-CB 3.49Å; L218-F221 PolarHBondContact O-N 3.45Å; E219-F221 VanDerWaalsContact C-N 3.32Å; E219-F221 PolarHBondContact O-N 3.33Å; F221-L224 PolarHBondContact O-N 2.95Å; F221-L225 HydrophobicContact CD1-CD1 3.78Å; F221-L225 HydrophobicContact CE1-CD1 3.52Å; F221-L225 HydrophobicContact CE1-CG 4.46Å; F221-L225 HydrophobicContact CZ-CD1 4.38Å; F221-L225 PolarHBondContact O-N 2.88Å; F221-L252 HydrophobicContact CE2-CD1 4.42Å; F221-V256 HydrophobicContact CE2-CG2 4.41Å; F221-V256 HydrophobicContact CZ-CG2 4.21Å; F221-F265 HydrophobicContact CB-CD1 4.1Å; F221-F265 HydrophobicContact CB-CE1 3.66Å; F221-F265 AromaticContact CD1-CD1 3.63Å; F221-F265 HydrophobicContact CD1-CD1 3.63Å; F221-F265 HydrophobicContact CD1-CE1 4.11Å; F221-F265 AromaticContact CD2-CD1 3.74Å; F221-F265 HydrophobicContact CD2-CD1 3.74Å; F221-F265 AromaticContact CD2-CE1 3.81Å; F221-F265 HydrophobicContact CD2-CE1 3.81Å; F221-F265 HydrophobicContact CE1-CB 4.47Å; F221-F265 AromaticContact CE1-CD1 3.86Å; F221-F265 HydrophobicContact CE1-CD1 3.86Å; F221-F265 AromaticContact CE2-CD1 3.99Å; F221-F265 HydrophobicContact CE2-CD1 3.99Å; F221-F265 HydrophobicContact CE2-CE1 4.46Å; F221-F265 AromaticContact CG-CD1 3.55Å; F221-F265 HydrophobicContact CG-CD1 3.55Å; F221-F265 AromaticContact CG-CE1 3.6Å; F221-F265 HydrophobicContact CG-CE1 3.6Å; F221-F265 HydrophobicContact CZ-CD1 4.04Å; F221-L268 HydrophobicContact CD1-CB 4.31Å; F221-L268 HydrophobicContact CD1-CD1 4.01Å; F221-L268 HydrophobicContact CE1-CB 4.15Å; F221-L269 HydrophobicContact CE1-CD2 4Å; F221-L269 HydrophobicContact CE1-CG 3.9Å; F221-L269 HydrophobicContact CZ-CD1 4.09Å; F221-L269 HydrophobicContact CZ-CD2 3.56Å; F221-L269 HydrophobicContact CZ-CG 3.62Å
222R97.4Very high93.2Very high91 Ų9135.5 Ų35.534%0.34318%0.175SC..Hα-helixtrans-58.9-49.8174.3-176.4-168.7-61.3-80.4-1.9111.5L218 E219 C220 L224 L225 L226 L268L218-R222 WeakPolarHBondContact O-CB 2.86Å; L218-R222 PolarHBondContact O-N 2.75Å; E219-R222 PolarHBondContact O-N 2.89Å; E219-R222 IonicContact OE1-NE 3.28Å; E219-R222 IonicContact OE1-NH2 2.63Å; E219-R222 IonicContact OE2-NE 2.72Å; C220-R222 PolarHBondContact O-N 2.85Å; R222-L224 VanDerWaalsContact C-N 3.33Å; R222-L224 PolarHBondContact O-N 3.48Å; R222-L225 PolarHBondContact O-N 2.97Å; R222-L226 HydrophobicContact CG-CD1 4.06Å; R222-L226 HydrophobicContact CG-CG 4.43Å; R222-L226 WeakPolarHBondContact O-CG 3.49Å; R222-L226 PolarHBondContact O-N 3.34Å; R222-L268 HydrophobicContact CB-CD1 3.93Å; R222-L268 HydrophobicContact CB-CD2 4.42Å; R222-L268 HydrophobicContact CG-CD1 4.42Å; R222-L268 HydrophobicContact CG-CD2 4.07Å
223L96.7Very high92.5Very high39 Ų3937 Ų3720%0.20418%0.181CC..Hα-helixtrans-60.3-41.6-179.1-77.7-178.3000112.5V171 L174 Q175 I178 E219 C220 L226 A227V171-L223 HydrophobicContact CG1-CD1 3.5Å; L174-L223 HydrophobicContact CD2-CB 3.8Å; L174-L223 HydrophobicContact CD2-CD1 4.02Å; Q175-L223 HydrophobicContact CB-CD1 4.43Å; I178-L223 HydrophobicContact CD1-CB 4.41Å; E219-L223 WeakPolarHBondContact O-CB 3.29Å; E219-L223 WeakPolarHBondContact O-CG 3.36Å; E219-L223 PolarHBondContact O-N 3.19Å; C220-L223 PolarHBondContact O-N 2.72Å; L223-L226 PolarHBondContact O-N 3.4Å; L223-A227 WeakPolarHBondContact O-CB 3.18Å; L223-A227 PolarHBondContact O-N 3.38Å
224L95.3Very high91.2Very high0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-61-45.2176.8-70.6165.8000111.6L162 A166 L174 V184 P208 L209 C220 F221 R222 A227 G228 A229L162-L224 HydrophobicContact CD2-CD2 3.87Å; L162-L224 HydrophobicContact CG-CD2 4.26Å; A166-L224 HydrophobicContact CB-CD1 4.23Å; L174-L224 HydrophobicContact CD1-CD2 4.29Å; L174-L224 HydrophobicContact CD2-CD2 4.48Å; L174-L224 HydrophobicContact CD2-CG 4.23Å; V184-L224 HydrophobicContact CB-CD2 4.12Å; V184-L224 HydrophobicContact CG1-CD2 3.97Å; P208-L224 VanDerWaalsContact C-CD1 3.41Å; P208-L224 HydrophobicContact CB-CD1 3.72Å; P208-L224 HydrophobicContact CB-CD2 3.88Å; P208-L224 HydrophobicContact CB-CG 4.48Å; P208-L224 WeakPolarHBondContact O-CD1 3.11Å; L209-L224 HydrophobicContact CB-CD1 4.46Å; L209-L224 HydrophobicContact CD1-CB 4Å; L209-L224 HydrophobicContact CD1-CD1 4.42Å; C220-L224 VanDerWaalsContact O-CG 3.27Å; C220-L224 WeakPolarHBondContact O-CG 3.39Å; C220-L224 PolarHBondContact O-N 3.01Å; F221-L224 PolarHBondContact O-N 2.95Å; R222-L224 VanDerWaalsContact C-N 3.33Å; R222-L224 PolarHBondContact O-N 3.48Å; L224-A227 CarbonylContact O-C 3.59Å; L224-A227 PolarHBondContact O-N 3.29Å; L224-G228 PolarHBondContact O-N 3.02Å; L224-A229 HydrophobicContact CB-CB 4.11Å; L224-A229 WeakPolarHBondContact O-CB 3.12Å; L224-A229 PolarHBondContact O-N 2.77Å
225L94.8Very high90Very high0 Ų038.4 Ų38.40%018%0.182CC..Hα-helixtrans-65.2-39.2176.8-74.6173.7000112.8L209 F221 R222 A227 G228 P231 L268 L269 H272 R321L209-L225 HydrophobicContact CD1-CD1 4.38Å; L209-L225 HydrophobicContact CD1-CD2 4.07Å; L209-L225 HydrophobicContact CD1-CG 3.77Å; L209-L225 HydrophobicContact CD2-CD2 3.87Å; L209-L225 HydrophobicContact CD2-CG 4.48Å; F221-L225 HydrophobicContact CD1-CD1 3.78Å; F221-L225 HydrophobicContact CE1-CD1 3.52Å; F221-L225 HydrophobicContact CE1-CG 4.46Å; F221-L225 HydrophobicContact CZ-CD1 4.38Å; F221-L225 PolarHBondContact O-N 2.88Å; R222-L225 PolarHBondContact O-N 2.97Å; L225-A227 VanDerWaalsContact C-N 3.32Å; L225-A227 PolarHBondContact O-N 3.42Å; L225-G228 WeakPolarHBondContact O-CA 3.13Å; L225-G228 PolarHBondContact O-N 3.41Å; L225-P231 HydrophobicContact CD2-CB 4.05Å; L225-L268 HydrophobicContact CD1-CB 3.71Å; L225-L269 HydrophobicContact CD1-CD2 4.46Å; L225-L269 HydrophobicContact CD2-CD2 4.42Å; L225-H272 HydrophobicContact CD2-CB 3.97Å; L225-H272 PolarHBondContact O-CE1 3.43Å; L225-H272 PolarHBondContact O-ND1 2.75Å; L225-H272 VanDerWaalsContact O-ND1 3.12Å; L225-R321 PolarHBondContact O-NH2 2.85Å
226L94.3Very high87.8Confident60 Ų6038.4 Ų38.431%0.31420%0.195SC..Hα-helixtrans-62-41.2174.3-73174.6000111.6R222 L223 G228 R321 H347R222-L226 HydrophobicContact CG-CD1 4.06Å; R222-L226 HydrophobicContact CG-CG 4.43Å; R222-L226 WeakPolarHBondContact O-CG 3.49Å; R222-L226 PolarHBondContact O-N 3.34Å; L223-L226 PolarHBondContact O-N 3.4Å; L226-G228 PolarHBondContact O-N 3.22Å; L226-R321 PolarHBondContact O-NH2 3.11Å; L226-R321 VanDerWaalsContact O-NH2 3.07Å; L226-H347 HydrophobicContact CD2-CB 3.79Å
227A93.4Very high85.5Confident22 Ų2235.1 Ų35.118%0.18219%0.187CC..THydrogen-bonded Turntrans-68.8-7.2173.700000113.8I178 V184 L223 L224 L225I178-A227 HydrophobicContact CD1-CB 4.06Å; I178-A227 HydrophobicContact CG1-CB 4.35Å; I178-A227 HydrophobicContact CG2-CB 3.75Å; V184-A227 HydrophobicContact CG1-CB 3.78Å; L223-A227 WeakPolarHBondContact O-CB 3.18Å; L223-A227 PolarHBondContact O-N 3.38Å; L224-A227 CarbonylContact O-C 3.59Å; L224-A227 PolarHBondContact O-N 3.29Å; L225-A227 VanDerWaalsContact C-N 3.32Å; L225-A227 PolarHBondContact O-N 3.42Å
228G91.5Very high82.8Confident16 Ų1638.2 Ų38.217%0.16521%0.212CC..THydrogen-bonded Turntrans94.525.9173.400000114.4L224 L225 L226 K326L224-G228 PolarHBondContact O-N 3.02Å; L225-G228 WeakPolarHBondContact O-CA 3.13Å; L225-G228 PolarHBondContact O-N 3.41Å; L226-G228 PolarHBondContact O-N 3.22Å; G228-K326 WeakPolarHBondContact O-CE 3.26Å; G228-K326 WeakPolarHBondContact O-CG 3.43Å
229A91.2Very high80.4Confident4 Ų437.3 Ų37.33%0.03321%0.208CC..  trans-55.8141.816800000110.3V184 D185 L209 L224V184-A229 HydrophobicContact CB-CB 4.17Å; V184-A229 HydrophobicContact CG2-CB 3.92Å; D185-A229 WeakPolarHBondContact OD1-CA 3.45Å; L209-A229 HydrophobicContact CD2-CB 4.33Å; L224-A229 HydrophobicContact CB-CB 4.11Å; L224-A229 WeakPolarHBondContact O-CB 3.12Å; L224-A229 PolarHBondContact O-N 2.77Å
230Q86.6Confident77.8Confident66 Ų6634.4 Ų34.431%0.30820%0.197SC..  trans-70.2123.8178.3-75.7-65.7-9.200109.9D185 L209 D232 F233D185-Q230 PolarHBondContact OD1-N 3.2Å; D185-Q230 VanDerWaalsContact OD1-N 3.13Å; D185-Q230 PolarHBondContact OD2-N 2.91Å; D185-Q230 VanDerWaalsContact OD2-N 3.09Å; L209-Q230 WeakPolarHBondContact CD2-O 3.44Å; Q230-D232 VanDerWaalsContact C-N 3.31Å; Q230-D232 PolarHBondContact O-N 3.17Å; Q230-F233 WeakPolarHBondContact CB-O 2.99Å
231P89.9Confident75.2Confident5 Ų540.9 Ų40.93%0.03223%0.227CC..SBendtrans-77.4-17.8-171.233.7-39000113L225 L252 L269 H272 A274L225-P231 HydrophobicContact CD2-CB 4.05Å; P231-L252 WeakPolarHBondContact O-CB 3.27Å; P231-L269 HydrophobicContact CB-CD2 4Å; P231-L269 VanDerWaalsContact O-CD2 3.29Å; P231-L269 WeakPolarHBondContact O-CD2 3.39Å; P231-H272 HydrophobicContact CB-CB 4.32Å; P231-A274 HydrophobicContact CB-CB 4.05Å
232D83.1Confident72.5Confident16 Ų1648.9 Ų48.99%0.08626%0.264CS..SBendtrans-92.5-44.4-179.3-63.3-54.3000112.4Q230 L252 A274 D275 L278 R322Q230-D232 VanDerWaalsContact C-N 3.31Å; Q230-D232 PolarHBondContact O-N 3.17Å; D232-L252 PolarHBondContact O-N 3.25Å; D232-A274 WeakPolarHBondContact OD1-CA 3.38Å; D232-D275 PolarHBondContact OD1-N 3.29Å; D232-L278 HydrophobicContact CB-CD1 3.92Å; D232-R322 IonicContact OD2-NH2 3.25Å
233F76.6Confident69.8Low30 Ų3046.4 Ų46.413%0.13226%0.263CS..  trans-151.2157.3-169.1-47.9-68.3000112L201 Q230 Y235 V239 C251 L278L201-F233 HydrophobicContact CD2-CD1 4.46Å; Q230-F233 WeakPolarHBondContact CB-O 2.99Å; F233-Y235 VanDerWaalsContact C-N 3.27Å; F233-Y235 PolarHBondContact O-N 2.63Å; F233-V239 HydrophobicContact CD1-CB 4.34Å; F233-V239 HydrophobicContact CD1-CG2 3.31Å; F233-V239 HydrophobicContact CE1-CB 3.92Å; F233-V239 HydrophobicContact CE1-CG2 3.38Å; F233-V239 HydrophobicContact CG-CG2 4.08Å; F233-V239 HydrophobicContact CZ-CB 4.44Å; F233-V239 HydrophobicContact CZ-CG2 4.19Å; F233-C251 HydrophobicContact CD1-CB 4.43Å; F233-C251 HydrophobicContact CE1-CB 3.76Å; F233-C251 HydrophobicContact CZ-CB 4.3Å; F233-L278 HydrophobicContact CE2-CD1 3.8Å; F233-L278 HydrophobicContact CZ-CD1 3.61Å; F233-L278 HydrophobicContact CZ-CD2 4.33Å; F233-L278 HydrophobicContact CZ-CG 4.47Å
234N64.4Low67.4Low4 Ų446.3 Ų46.32%0.02126%0.263CS..SBendtrans-78.63.7177-161.952.5000114.9L204 C207L204-N234 HydrophobicContact CD1-CB 3.99Å; L204-N234 HydrophobicContact CD2-CB 3.94Å; L204-N234 HydrophobicContact CG-CB 4.49Å; C207-N234 WeakPolarHBondContact CA-OD1 3.45Å; C207-N234 HydrophobicContact CB-CB 3.65Å; C207-N234 VanDerWaalsContact CB-CG 3.41Å; C207-N234 WeakPolarHBondContact CB-OD1 3.38Å; C207-N234 VanDerWaalsContact SG-CG 3.58Å; C207-N234 PolarHBondContact SG-OD1 2.88Å
235Y63.4Low64.8Low53 Ų5352.3 Ų52.321%0.20830%0.3CS..SBendtrans-150.6163.7-176.572.3-84.7000112.6L204 F233 G237 P238 V239L204-Y235 HydrophobicContact CD2-CD1 4.18Å; L204-Y235 HydrophobicContact CD2-CE1 4.48Å; F233-Y235 VanDerWaalsContact C-N 3.27Å; F233-Y235 PolarHBondContact O-N 2.63Å; Y235-G237 WeakPolarHBondContact CE2-O 3.43Å; Y235-G237 PolarHBondContact O-N 3.48Å; Y235-G237 VanDerWaalsContact O-N 3.11Å; Y235-P238 PolarHBondContact OH-O 3.28Å; Y235-V239 HydrophobicContact CE1-CG2 4.2Å; Y235-V239 WeakPolarHBondContact OH-CA 3.34Å
236T45.4Very low62.4Low132 Ų13262.9 Ų62.981%0.8134%0.34SS*.SBendtrans-79.684.617756.10000111
237G44.8Very low60.4Low26 Ų2662.1 Ų62.127%0.26835%0.346SS..SBendtrans168.7158.4170.500000113.9Y235 V239Y235-G237 WeakPolarHBondContact CE2-O 3.43Å; Y235-G237 PolarHBondContact O-N 3.48Å; Y235-G237 VanDerWaalsContact O-N 3.11Å; G237-V239 PolarHBondContact O-N 3.33Å
238P40.3Very low58.7Low118 Ų11863.2 Ų63.277%0.76635%0.349SS*.PPolyproline II helixtrans-67.8130.7176.927.5-32000110.8Y235Y235-P238 PolarHBondContact OH-O 3.28Å
239V47.8Very low57.3Low9 Ų963 Ų636%0.05535%0.346CS..PPolyproline II helixtrans-62.7131.7167.1168.20000108.7R199 F233 Y235 G237 H241R199-V239 WeakPolarHBondContact O-CG1 3.33Å; F233-V239 HydrophobicContact CD1-CB 4.34Å; F233-V239 HydrophobicContact CD1-CG2 3.31Å; F233-V239 HydrophobicContact CE1-CB 3.92Å; F233-V239 HydrophobicContact CE1-CG2 3.38Å; F233-V239 HydrophobicContact CG-CG2 4.08Å; F233-V239 HydrophobicContact CZ-CB 4.44Å; F233-V239 HydrophobicContact CZ-CG2 4.19Å; Y235-V239 HydrophobicContact CE1-CG2 4.2Å; Y235-V239 WeakPolarHBondContact OH-CA 3.34Å; G237-V239 PolarHBondContact O-N 3.33Å; V239-H241 PolarHBondContact O-N 3.3Å
240C42.8Very low56.3Low31 Ų3163.1 Ų63.121%0.20935%0.346CS..PPolyproline II helixtrans-71.3123.3175176.10000110.6A198 E242A198-C240 HydrophobicContact CB-CB 2.94Å; A198-C240 WeakPolarHBondContact CB-SG 3.39Å; C240-E242 VanDerWaalsContact C-N 3.26Å; C240-E242 PolarHBondContact O-N 2.72Å; C240-E242 PolarHBondContact SG-N 3.5Å; C240-E242 VanDerWaalsContact SG-N 3.35Å
241H42.7Very low56Low136 Ų13660 Ų6063%0.6333%0.332SS*.G310 helixtrans-66.2-25.4178.8-69.4-83.7000113.2V239 A243 L244V239-H241 PolarHBondContact O-N 3.3Å; H241-A243 PolarHBondContact O-N 2.86Å; H241-L244 WeakPolarHBondContact O-CB 3.46Å; H241-L244 PolarHBondContact O-N 3.07Å
242E39.9Very low55.8Low168 Ų16859.8 Ų59.879%0.78533%0.33SS*.G310 helixtrans-73.9-24.4-175.8-64.1178.4155.100113.6C240 L244C240-E242 VanDerWaalsContact C-N 3.26Å; C240-E242 PolarHBondContact O-N 2.72Å; C240-E242 PolarHBondContact SG-N 3.5Å; C240-E242 VanDerWaalsContact SG-N 3.35Å; E242-L244 PolarHBondContact O-N 2.91Å
243A40.3Very low56.1Low39 Ų3959 Ų5932%0.32233%0.326SS..G310 helixtrans-78.9-0.3179.500000113.5T200 H241 T245T200-A243 HydrophobicContact CG2-CB 3.59Å; T200-A243 WeakPolarHBondContact CG2-O 3.38Å; H241-A243 PolarHBondContact O-N 2.86Å; A243-T245 PolarHBondContact O-N 3.22Å
244L46.2Very low56.5Low38 Ų3857.6 Ų57.620%0.19932%0.32CS..G310 helixtrans-8712.6-170.6-71.1164.8000115.8T200 H241 E242 R246T200-L244 HydrophobicContact CG2-CD2 4.43Å; H241-L244 WeakPolarHBondContact O-CB 3.46Å; H241-L244 PolarHBondContact O-N 3.07Å; E242-L244 PolarHBondContact O-N 2.91Å; L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 3.04Å
245T41Very low57.4Low126 Ų12657.4 Ų57.477%0.77332%0.319SS*.THydrogen-bonded Turntrans-78.223.8-172.836.40000116.4A243A243-T245 PolarHBondContact O-N 3.22Å
246R45.6Very low58.7Low222 Ų22254.9 Ų54.984%0.83831%0.309SS*.THydrogen-bonded Turntrans-139.327.2-178.1-63.6-171.5179.2125-1116.6L244 L248L244-R246 VanDerWaalsContact C-N 3.25Å; L244-R246 PolarHBondContact O-N 3.04Å; R246-L248 HydrophobicContact CB-CD1 4.47Å
247G50.8Low60.7Low44 Ų4448.7 Ų48.745%0.45427%0.271SS..SBendtrans76.827.6173.300000115.2
248L59.3Low62.5Low45 Ų4550.5 Ų50.524%0.23627%0.27CS..  trans-98.7149.8-178.2-56.8165.6000110T200 N202 R246T200-L248 HydrophobicContact CG2-CD1 4.24Å; N202-L248 HydrophobicContact CB-CD1 4.39Å; N202-L248 HydrophobicContact CB-CD2 3.86Å; N202-L248 WeakPolarHBondContact ND2-CD1 3.13Å; N202-L248 VanDerWaalsContact ND2-CD2 3.3Å; N202-L248 WeakPolarHBondContact ND2-CD2 3.27Å; N202-L248 WeakPolarHBondContact OD1-CD1 3.46Å; R246-L248 HydrophobicContact CB-CD1 4.47Å
249A61.7Low64.6Low12 Ų1248.1 Ų48.110%0.09925%0.248CC..  trans-67.4146.617600000111.1L201 D254 A255L201-A249 VanDerWaalsContact CB-O 3.3Å; L201-A249 WeakPolarHBondContact CB-O 3.32Å; L201-A249 HydrophobicContact CD1-CB 3.56Å; L201-A249 WeakPolarHBondContact CD1-O 3.34Å; L201-A249 WeakPolarHBondContact CG-O 3.4Å; A249-D254 VanDerWaalsContact CA-OD2 3.31Å; A249-D254 WeakPolarHBondContact CA-OD2 3.37Å; A249-D254 HydrophobicContact CB-CB 4.35Å; A249-A255 HydrophobicContact CB-CB 3.67Å
250S70.2Confident66.4Low6 Ų648.9 Ų48.94%0.04226%0.258CS..SBendtrans-97.2-41.6-172.951.30000113.8D254 P280S250-D254 PolarHBondContact N-OD2 3.41Å; S250-D254 WeakPolarHBondContact OG-CB 3.34Å; S250-D254 PolarHBondContact OG-OD2 3.45Å; S250-P280 WeakPolarHBondContact OG-CD 3.29Å
251C80.1Confident68.8Low0 Ų047.4 Ų47.40%025%0.248CC..SBendtrans-133.1171.4168.860.20000111L201 F233 L253 D254 A255 L278L201-C251 VanDerWaalsContact CD1-C 3.41Å; L201-C251 VanDerWaalsContact CD1-O 3.23Å; L201-C251 WeakPolarHBondContact CD1-O 3.37Å; F233-C251 HydrophobicContact CD1-CB 4.43Å; F233-C251 HydrophobicContact CE1-CB 3.76Å; F233-C251 HydrophobicContact CZ-CB 4.3Å; C251-L253 PolarHBondContact O-N 3.34Å; C251-D254 WeakPolarHBondContact O-CB 3.49Å; C251-D254 PolarHBondContact O-N 3.18Å; C251-D254 VanDerWaalsContact O-N 3.15Å; C251-A255 PolarHBondContact O-N 2.96Å; C251-L278 HydrophobicContact CB-CB 4.07Å; C251-L278 HydrophobicContact CB-CD1 4.5Å
252L86.3Confident71.2Confident0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-56.1-36.8177.8-99.6-76.9000112.8L201 L209 F221 P231 D232 A255 V256 L269L201-L252 HydrophobicContact CD2-CD2 4.35Å; L209-L252 HydrophobicContact CB-CD1 4.3Å; L209-L252 HydrophobicContact CD2-CD1 4.06Å; L209-L252 HydrophobicContact CD2-CG 4.15Å; L209-L252 HydrophobicContact CG-CD1 3.92Å; F221-L252 HydrophobicContact CE2-CD1 4.42Å; P231-L252 WeakPolarHBondContact O-CB 3.27Å; D232-L252 PolarHBondContact O-N 3.25Å; L252-A255 WeakPolarHBondContact O-CB 3.49Å; L252-A255 PolarHBondContact O-N 3.48Å; L252-V256 WeakPolarHBondContact O-CG2 3.44Å; L252-V256 PolarHBondContact O-N 3.09Å; L252-L269 HydrophobicContact CB-CD1 4.31Å; L252-L269 HydrophobicContact CB-CD2 4.37Å
253L88.8Confident73.9Confident0 Ų038.5 Ų38.50%021%0.208CC..Hα-helixtrans-65.8-42.9177.3-169.661.4000112.1C251 A255 V256 L257 V266 L269 L270 P276 V279 F302C251-L253 PolarHBondContact O-N 3.34Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 3.44Å; L253-V256 PolarHBondContact O-N 3.47Å; L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.49Å; L253-L257 PolarHBondContact O-N 2.84Å; L253-L257 VanDerWaalsContact O-N 3.09Å; L253-V266 HydrophobicContact CD1-CG1 4.12Å; L253-V266 HydrophobicContact CD1-CG2 4.28Å; L253-L269 HydrophobicContact CB-CD1 4.15Å; L253-L269 HydrophobicContact CD1-CB 4.24Å; L253-L269 HydrophobicContact CD1-CD1 3.85Å; L253-L270 HydrophobicContact CD2-CD2 4.19Å; L253-P276 HydrophobicContact CD2-CB 4.31Å; L253-V279 HydrophobicContact CB-CG2 3.99Å; L253-V279 HydrophobicContact CD2-CG2 3.94Å; L253-V279 HydrophobicContact CG-CG2 4.01Å; L253-F302 HydrophobicContact CD2-CD2 3.79Å; L253-F302 HydrophobicContact CD2-CE2 4.07Å; L253-F302 HydrophobicContact CG-CD2 4.31Å
254D84.7Confident76.6Confident0 Ų038.3 Ų38.30%021%0.205CC..Hα-helixtrans-61.1-40.8172.7-175.622.7000111.1A249 S250 C251 L257 R258 V279 W281A249-D254 VanDerWaalsContact CA-OD2 3.31Å; A249-D254 WeakPolarHBondContact CA-OD2 3.37Å; A249-D254 HydrophobicContact CB-CB 4.35Å; S250-D254 PolarHBondContact N-OD2 3.41Å; S250-D254 WeakPolarHBondContact OG-CB 3.34Å; S250-D254 PolarHBondContact OG-OD2 3.45Å; C251-D254 WeakPolarHBondContact O-CB 3.49Å; C251-D254 PolarHBondContact O-N 3.18Å; C251-D254 VanDerWaalsContact O-N 3.15Å; D254-L257 PolarHBondContact O-N 2.93Å; D254-R258 VanDerWaalsContact CG-NE 3.29Å; D254-R258 WeakPolarHBondContact O-CB 3.37Å; D254-R258 VanDerWaalsContact O-CG 3.26Å; D254-R258 WeakPolarHBondContact O-CG 3.35Å; D254-R258 PolarHBondContact O-N 3.25Å; D254-R258 IonicContact OD1-CZ 2.9Å; D254-R258 IonicContact OD1-NE 2.63Å; D254-R258 PolarHBondContact OD1-NE 3.18Å; D254-R258 IonicContact OD1-NH2 3.96Å; D254-R258 PolarHBondContact OD1-NH2 3.37Å; D254-R258 IonicContact OD2-CZ 3.04Å; D254-R258 IonicContact OD2-NE 3.18Å; D254-R258 PolarHBondContact OD2-NE 3.01Å; D254-R258 IonicContact OD2-NH2 3.77Å; D254-R258 PolarHBondContact OD2-NH2 3.28Å; D254-R258 VanDerWaalsContact OD2-NH2 3.11Å; D254-V279 HydrophobicContact CB-CG1 4.28Å; D254-V279 HydrophobicContact CB-CG2 4.25Å; D254-W281 PolarHBondContact OD1-NE1 2.85Å
255A83.9Confident79Confident0 Ų036.5 Ų36.50%020%0.196CC..Hα-helixtrans-62.4-49.8176.800000112.5L201 Y210 A249 C251 L252 L253 L257 R258 H259L201-A255 HydrophobicContact CD1-CB 4.28Å; Y210-A255 HydrophobicContact CD2-CB 3.72Å; Y210-A255 HydrophobicContact CE2-CB 3.64Å; A249-A255 HydrophobicContact CB-CB 3.67Å; C251-A255 PolarHBondContact O-N 2.96Å; L252-A255 WeakPolarHBondContact O-CB 3.49Å; L252-A255 PolarHBondContact O-N 3.48Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-A255 PolarHBondContact O-N 3.44Å; A255-L257 VanDerWaalsContact C-N 3.29Å; A255-L257 PolarHBondContact O-N 3.49Å; A255-R258 PolarHBondContact O-N 3.36Å; A255-H259 WeakPolarHBondContact O-CB 3.5Å; A255-H259 PolarHBondContact O-CD2 3.2Å; A255-H259 PolarHBondContact O-N 3.04Å
256V89.4Confident81.6Confident1 Ų130.5 Ų30.51%0.00616%0.159CC..Hα-helixtrans-56-45.1177.6164.60000110.9A213 F221 L252 L253 G260 C261 F265 V266 L269A213-V256 HydrophobicContact CB-CG2 3.84Å; F221-V256 HydrophobicContact CE2-CG2 4.41Å; F221-V256 HydrophobicContact CZ-CG2 4.21Å; L252-V256 WeakPolarHBondContact O-CG2 3.44Å; L252-V256 PolarHBondContact O-N 3.09Å; L253-V256 PolarHBondContact O-N 3.47Å; V256-G260 PolarHBondContact O-N 2.96Å; V256-C261 HydrophobicContact CB-CB 4.49Å; V256-C261 HydrophobicContact CG1-CB 3.66Å; V256-C261 WeakPolarHBondContact O-CB 3.47Å; V256-C261 PolarHBondContact O-N 2.97Å; V256-C261 VanDerWaalsContact O-N 3.16Å; V256-C261 PolarHBondContact O-SG 3.07Å; V256-F265 HydrophobicContact CG1-CB 3.48Å; V256-F265 VanDerWaalsContact CG1-CB 3.48Å; V256-F265 HydrophobicContact CG1-CG 4.45Å; V256-F265 HydrophobicContact CG2-CB 4.24Å; V256-V266 HydrophobicContact CG1-CG2 3.78Å; V256-L269 HydrophobicContact CB-CD1 4.24Å; V256-L269 HydrophobicContact CG2-CD1 3.71Å
257L88Confident84Confident2 Ų224.7 Ų24.71%0.0114%0.141CC..Hα-helixtrans-65.7-44.3177.9-68.2168.8000112.1L253 D254 A255 H259 G260 V266 W281 V294 A298 F302L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.49Å; L253-L257 PolarHBondContact O-N 2.84Å; L253-L257 VanDerWaalsContact O-N 3.09Å; D254-L257 PolarHBondContact O-N 2.93Å; A255-L257 VanDerWaalsContact C-N 3.29Å; A255-L257 PolarHBondContact O-N 3.49Å; L257-H259 VanDerWaalsContact C-N 3.34Å; L257-H259 PolarHBondContact O-N 3.41Å; L257-G260 PolarHBondContact O-N 3.45Å; L257-G260 VanDerWaalsContact O-N 3.17Å; L257-V266 HydrophobicContact CD2-CG2 4.05Å; L257-W281 HydrophobicContact CB-CH2 3.51Å; L257-W281 HydrophobicContact CB-CZ2 3.73Å; L257-W281 HydrophobicContact CB-CZ3 4.43Å; L257-W281 HydrophobicContact CD1-CH2 4Å; L257-W281 HydrophobicContact CD1-CZ2 4.18Å; L257-W281 HydrophobicContact CD1-CZ3 4.25Å; L257-W281 HydrophobicContact CG-CH2 4.29Å; L257-V294 HydrophobicContact CB-CG1 4.4Å; L257-V294 HydrophobicContact CD2-CG1 4.17Å; L257-A298 HydrophobicContact CD2-CB 4.23Å; L257-F302 HydrophobicContact CD1-CB 4.28Å; L257-F302 HydrophobicContact CD1-CD1 3.98Å; L257-F302 HydrophobicContact CD1-CD2 4.09Å; L257-F302 HydrophobicContact CD1-CE1 4.36Å; L257-F302 HydrophobicContact CD1-CE2 4.47Å; L257-F302 HydrophobicContact CD1-CG 3.82Å; L257-F302 HydrophobicContact CD2-CB 4.3Å
258R81.9Confident86.1Confident63 Ų6323.2 Ų23.224%0.23812%0.123CC..Hα-helixtrans-68.2-30.1179.8-73.4-178.6-163.9-1130.1113.9D254 A255 W281D254-R258 VanDerWaalsContact CG-NE 3.29Å; D254-R258 WeakPolarHBondContact O-CB 3.37Å; D254-R258 VanDerWaalsContact O-CG 3.26Å; D254-R258 WeakPolarHBondContact O-CG 3.35Å; D254-R258 PolarHBondContact O-N 3.25Å; D254-R258 IonicContact OD1-CZ 2.9Å; D254-R258 IonicContact OD1-NE 2.63Å; D254-R258 PolarHBondContact OD1-NE 3.18Å; D254-R258 IonicContact OD1-NH2 3.96Å; D254-R258 PolarHBondContact OD1-NH2 3.37Å; D254-R258 IonicContact OD2-CZ 3.04Å; D254-R258 IonicContact OD2-NE 3.18Å; D254-R258 PolarHBondContact OD2-NE 3.01Å; D254-R258 IonicContact OD2-NH2 3.77Å; D254-R258 PolarHBondContact OD2-NH2 3.28Å; D254-R258 VanDerWaalsContact OD2-NH2 3.11Å; A255-R258 PolarHBondContact O-N 3.36Å; R258-W281 HydrophobicContact CG-CZ2 4.14Å
259H84.2Confident87.8Confident69 Ų6921.1 Ų21.132%0.31911%0.111SC..THydrogen-bonded Turntrans-77.8-7.6175-72.8-49.5000112.6Y210 A255 L257 C261Y210-H259 AromaticContact CE2-NE2 3.53Å; Y210-H259 AromaticContact CZ-NE2 3.51Å; Y210-H259 PolarHBondContact OH-NE2 3.01Å; Y210-H259 VanDerWaalsContact OH-NE2 3.15Å; A255-H259 WeakPolarHBondContact O-CB 3.5Å; A255-H259 PolarHBondContact O-CD2 3.2Å; A255-H259 PolarHBondContact O-N 3.04Å; L257-H259 VanDerWaalsContact C-N 3.34Å; L257-H259 PolarHBondContact O-N 3.41Å; H259-C261 VanDerWaalsContact C-N 3.28Å; H259-C261 PolarHBondContact O-N 3.05Å
260G87.4Confident89.4Confident24 Ų2421.2 Ų21.225%0.24711%0.11CC..THydrogen-bonded Turntrans67.931.8-178.800000112.2V256 L257V256-G260 PolarHBondContact O-N 2.96Å; L257-G260 PolarHBondContact O-N 3.45Å; L257-G260 VanDerWaalsContact O-N 3.17Å
261C91.4Very high90.4Very high1 Ų123.8 Ų23.81%0.00712%0.123CC..  trans-62.3151.1174.1-60.50000110.8A213 V256 H259 F265A213-C261 PolarHBondContact O-SG 3.31Å; A213-C261 VanDerWaalsContact O-SG 3.37Å; V256-C261 HydrophobicContact CB-CB 4.49Å; V256-C261 HydrophobicContact CG1-CB 3.66Å; V256-C261 WeakPolarHBondContact O-CB 3.47Å; V256-C261 PolarHBondContact O-N 2.97Å; V256-C261 VanDerWaalsContact O-N 3.16Å; V256-C261 PolarHBondContact O-SG 3.07Å; H259-C261 VanDerWaalsContact C-N 3.28Å; H259-C261 PolarHBondContact O-N 3.05Å; C261-F265 HydrophobicContact CB-CB 4.06Å; C261-F265 HydrophobicContact CB-CD2 3.78Å; C261-F265 HydrophobicContact CB-CE2 4.39Å; C261-F265 HydrophobicContact CB-CG 3.92Å
262E94.5Very high91.1Very high85 Ų8524.7 Ų24.740%0.39713%0.128SC..  trans-62159.1173.760.2175.9150.500112.3L218 S264 F265L218-E262 WeakPolarHBondContact CD2-OE1 3.02Å; E262-S264 PolarHBondContact O-N 3.41Å; E262-S264 PolarHBondContact OE2-OG 3.31Å; E262-F265 HydrophobicContact CG-CD2 3.62Å; E262-F265 HydrophobicContact CG-CE2 3.86Å; E262-F265 PolarHBondContact O-N 3.23Å; E262-F265 VanDerWaalsContact O-N 3.08Å
263V95.9Very high91.3Very high31 Ų3125 Ų2519%0.18813%0.13CC..Hα-helixtrans-53.3-28.318070.20000113.4F265 V266 H267 E297 A298 V301V263-F265 VanDerWaalsContact C-N 3.27Å; V263-F265 PolarHBondContact O-N 3.31Å; V263-V266 PolarHBondContact O-N 3.35Å; V263-V266 VanDerWaalsContact O-N 3.08Å; V263-H267 PolarHBondContact O-N 3.33Å; V263-E297 HydrophobicContact CB-CB 4.38Å; V263-E297 HydrophobicContact CB-CG 3.94Å; V263-E297 HydrophobicContact CG1-CG 4.14Å; V263-E297 HydrophobicContact CG2-CG 3.92Å; V263-A298 HydrophobicContact CB-CB 4.47Å; V263-V301 HydrophobicContact CG2-CB 4.11Å; V263-V301 HydrophobicContact CG2-CG2 3.59Å
264S97.2Very high91.4Very high36 Ų3625 Ų2525%0.25213%0.131SC..Hα-helixtrans-55.4-38.3177.9-53.20000112.9E262 L268E262-S264 PolarHBondContact O-N 3.41Å; E262-S264 PolarHBondContact OE2-OG 3.31Å; S264-L268 WeakPolarHBondContact O-CB 3.5Å; S264-L268 VanDerWaalsContact O-CG 3.29Å; S264-L268 WeakPolarHBondContact O-CG 3.4Å; S264-L268 PolarHBondContact O-N 3.04Å
265F96.5Very high91.6Very high0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-68-41.6176.8-74.7-98.1000111.8A213 L218 F221 V256 C261 E262 V263 L268 L269A213-F265 HydrophobicContact CB-CD1 4.09Å; A213-F265 HydrophobicContact CB-CE1 4.1Å; L218-F265 VanDerWaalsContact CA-CZ 3.44Å; L218-F265 HydrophobicContact CB-CE2 3.89Å; L218-F265 HydrophobicContact CB-CZ 3.83Å; L218-F265 HydrophobicContact CD1-CD1 4.35Å; L218-F265 HydrophobicContact CD1-CD2 3.67Å; L218-F265 HydrophobicContact CD1-CE1 4.3Å; L218-F265 HydrophobicContact CD1-CE2 3.62Å; L218-F265 HydrophobicContact CD1-CG 4.05Å; L218-F265 HydrophobicContact CD1-CZ 3.96Å; L218-F265 HydrophobicContact CG-CE2 4.35Å; F221-F265 HydrophobicContact CB-CD1 4.1Å; F221-F265 HydrophobicContact CB-CE1 3.66Å; F221-F265 AromaticContact CD1-CD1 3.63Å; F221-F265 HydrophobicContact CD1-CD1 3.63Å; F221-F265 HydrophobicContact CD1-CE1 4.11Å; F221-F265 AromaticContact CD2-CD1 3.74Å; F221-F265 HydrophobicContact CD2-CD1 3.74Å; F221-F265 AromaticContact CD2-CE1 3.81Å; F221-F265 HydrophobicContact CD2-CE1 3.81Å; F221-F265 HydrophobicContact CE1-CB 4.47Å; F221-F265 AromaticContact CE1-CD1 3.86Å; F221-F265 HydrophobicContact CE1-CD1 3.86Å; F221-F265 AromaticContact CE2-CD1 3.99Å; F221-F265 HydrophobicContact CE2-CD1 3.99Å; F221-F265 HydrophobicContact CE2-CE1 4.46Å; F221-F265 AromaticContact CG-CD1 3.55Å; F221-F265 HydrophobicContact CG-CD1 3.55Å; F221-F265 AromaticContact CG-CE1 3.6Å; F221-F265 HydrophobicContact CG-CE1 3.6Å; F221-F265 HydrophobicContact CZ-CD1 4.04Å; V256-F265 HydrophobicContact CG1-CB 3.48Å; V256-F265 VanDerWaalsContact CG1-CB 3.48Å; V256-F265 HydrophobicContact CG1-CG 4.45Å; V256-F265 HydrophobicContact CG2-CB 4.24Å; C261-F265 HydrophobicContact CB-CB 4.06Å; C261-F265 HydrophobicContact CB-CD2 3.78Å; C261-F265 HydrophobicContact CB-CE2 4.39Å; C261-F265 HydrophobicContact CB-CG 3.92Å; E262-F265 HydrophobicContact CG-CD2 3.62Å; E262-F265 HydrophobicContact CG-CE2 3.86Å; E262-F265 PolarHBondContact O-N 3.23Å; E262-F265 VanDerWaalsContact O-N 3.08Å; V263-F265 VanDerWaalsContact C-N 3.27Å; V263-F265 PolarHBondContact O-N 3.31Å; F265-L268 PolarHBondContact O-N 3.12Å; F265-L269 WeakPolarHBondContact O-CG 3.16Å; F265-L269 PolarHBondContact O-N 3.17Å
266V95.5Very high91.9Very high0 Ų028.9 Ų28.90%015%0.152CC..Hα-helixtrans-64.5-46.5176.9173.50000110L253 V256 L257 V263 L268 L269 L270 A298 V301 F302L253-V266 HydrophobicContact CD1-CG1 4.12Å; L253-V266 HydrophobicContact CD1-CG2 4.28Å; V256-V266 HydrophobicContact CG1-CG2 3.78Å; L257-V266 HydrophobicContact CD2-CG2 4.05Å; V263-V266 PolarHBondContact O-N 3.35Å; V263-V266 VanDerWaalsContact O-N 3.08Å; V266-L268 VanDerWaalsContact C-N 3.33Å; V266-L268 PolarHBondContact O-N 3.47Å; V266-L269 PolarHBondContact O-N 3.47Å; V266-L270 HydrophobicContact CG1-CD1 3.62Å; V266-L270 HydrophobicContact CG1-CG 4.11Å; V266-L270 VanDerWaalsContact O-CB 3.26Å; V266-L270 WeakPolarHBondContact O-CB 3.46Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 3.21Å; V266-A298 HydrophobicContact CG2-CB 3.91Å; V266-V301 HydrophobicContact CG1-CB 4.36Å; V266-V301 HydrophobicContact CG1-CG1 3.92Å; V266-F302 HydrophobicContact CG1-CB 4.48Å
267H95.8Very high91.7Very high99 Ų9932.4 Ų32.446%0.45818%0.182SC..Hα-helixtrans-57.5-45.5174-81-53.4000112V263 L270 D271V263-H267 PolarHBondContact O-N 3.33Å; H267-L270 CarbonylContact O-C 3.54Å; H267-L270 PolarHBondContact O-N 2.67Å; H267-D271 WeakPolarHBondContact O-CA 3.25Å; H267-D271 WeakPolarHBondContact O-CB 3.41Å; H267-D271 PolarHBondContact O-N 3.18Å
268L96.3Very high91.4Very high14 Ų1434.4 Ų34.47%0.07319%0.192CC..Hα-helixtrans-61.8-47.4178.5-79.1171.3000112.4L218 F221 R222 L225 S264 F265 V266 D271 H272L218-L268 HydrophobicContact CD1-CD1 3.65Å; L218-L268 HydrophobicContact CG-CD1 4.48Å; F221-L268 HydrophobicContact CD1-CB 4.31Å; F221-L268 HydrophobicContact CD1-CD1 4.01Å; F221-L268 HydrophobicContact CE1-CB 4.15Å; R222-L268 HydrophobicContact CB-CD1 3.93Å; R222-L268 HydrophobicContact CB-CD2 4.42Å; R222-L268 HydrophobicContact CG-CD1 4.42Å; R222-L268 HydrophobicContact CG-CD2 4.07Å; L225-L268 HydrophobicContact CD1-CB 3.71Å; S264-L268 WeakPolarHBondContact O-CB 3.5Å; S264-L268 VanDerWaalsContact O-CG 3.29Å; S264-L268 WeakPolarHBondContact O-CG 3.4Å; S264-L268 PolarHBondContact O-N 3.04Å; F265-L268 PolarHBondContact O-N 3.12Å; V266-L268 VanDerWaalsContact C-N 3.33Å; V266-L268 PolarHBondContact O-N 3.47Å; L268-D271 PolarHBondContact O-N 3.29Å; L268-H272 WeakPolarHBondContact O-CB 3.46Å; L268-H272 PolarHBondContact O-CD2 2.91Å; L268-H272 PolarHBondContact O-N 3.21Å
269L94.8Very high91.5Very high0 Ų031.7 Ų31.70%018%0.182CC..Hα-helixtrans-59.3-50.8175.9-77.5-177.8000111.6L209 F221 L225 P231 L252 L253 V256 F265 V266 D271 H272 G273 A274L209-L269 HydrophobicContact CD2-CD2 4.33Å; F221-L269 HydrophobicContact CE1-CD2 4Å; F221-L269 HydrophobicContact CE1-CG 3.9Å; F221-L269 HydrophobicContact CZ-CD1 4.09Å; F221-L269 HydrophobicContact CZ-CD2 3.56Å; F221-L269 HydrophobicContact CZ-CG 3.62Å; L225-L269 HydrophobicContact CD1-CD2 4.46Å; L225-L269 HydrophobicContact CD2-CD2 4.42Å; P231-L269 HydrophobicContact CB-CD2 4Å; P231-L269 VanDerWaalsContact O-CD2 3.29Å; P231-L269 WeakPolarHBondContact O-CD2 3.39Å; L252-L269 HydrophobicContact CB-CD1 4.31Å; L252-L269 HydrophobicContact CB-CD2 4.37Å; L253-L269 HydrophobicContact CB-CD1 4.15Å; L253-L269 HydrophobicContact CD1-CB 4.24Å; L253-L269 HydrophobicContact CD1-CD1 3.85Å; V256-L269 HydrophobicContact CB-CD1 4.24Å; V256-L269 HydrophobicContact CG2-CD1 3.71Å; F265-L269 WeakPolarHBondContact O-CG 3.16Å; F265-L269 PolarHBondContact O-N 3.17Å; V266-L269 PolarHBondContact O-N 3.47Å; L269-D271 PolarHBondContact O-N 3.31Å; L269-H272 PolarHBondContact O-N 3.35Å; L269-G273 PolarHBondContact O-N 2.44Å; L269-A274 HydrophobicContact CB-CB 3.82Å; L269-A274 WeakPolarHBondContact O-CB 3.41Å; L269-A274 PolarHBondContact O-N 2.75Å
270L93.6Very high91.1Very high15 Ų1531.7 Ų31.78%0.07919%0.188CC..Hα-helixtrans-66.7-20.2178.4-68.2178.2000113L253 V266 H267 P276 V301 A305 Y314L253-L270 HydrophobicContact CD2-CD2 4.19Å; V266-L270 HydrophobicContact CG1-CD1 3.62Å; V266-L270 HydrophobicContact CG1-CG 4.11Å; V266-L270 VanDerWaalsContact O-CB 3.26Å; V266-L270 WeakPolarHBondContact O-CB 3.46Å; V266-L270 WeakPolarHBondContact O-CG 3.43Å; V266-L270 PolarHBondContact O-N 3.21Å; H267-L270 CarbonylContact O-C 3.54Å; H267-L270 PolarHBondContact O-N 2.67Å; L270-P276 HydrophobicContact CD2-CG 3.7Å; L270-V301 HydrophobicContact CD1-CG1 3.78Å; L270-A305 HydrophobicContact CD1-CB 3.62Å; L270-A305 HydrophobicContact CD2-CB 3.9Å; L270-A305 HydrophobicContact CG-CB 4.41Å; L270-Y314 PolarHBondContact O-OH 3.48Å
271D92.7Very high90.7Very high59 Ų5931.6 Ų31.632%0.31618%0.181SC..Hα-helixtrans-86.7-23.6177.7-165.659.1000112.1H267 L268 L269 Y314 R317 H347H267-D271 WeakPolarHBondContact O-CA 3.25Å; H267-D271 WeakPolarHBondContact O-CB 3.41Å; H267-D271 PolarHBondContact O-N 3.18Å; L268-D271 PolarHBondContact O-N 3.29Å; L269-D271 PolarHBondContact O-N 3.31Å; D271-Y314 WeakPolarHBondContact CA-OH 3.23Å; D271-Y314 WeakPolarHBondContact O-CE2 3.43Å; D271-Y314 PolarHBondContact O-OH 3.25Å; D271-R317 PolarHBondContact O-NH2 3.21Å; D271-R317 IonicContact OD1-CZ 2.9Å; D271-R317 IonicContact OD1-NH1 3.64Å; D271-R317 IonicContact OD1-NH2 2.77Å; D271-R317 PolarHBondContact OD1-NH2 3.39Å; D271-R317 IonicContact OD2-CZ 3.34Å; D271-R317 IonicContact OD2-NH1 3.77Å; D271-R317 IonicContact OD2-NH2 2.67Å; D271-R317 PolarHBondContact OD2-NH2 2.91Å; D271-H347 PolarHBondContact O-CE1 3Å; D271-H347 VanDerWaalsContact O-CE1 3.3Å; D271-H347 IonicContact OD2-CE1 3Å; D271-H347 PolarHBondContact OD2-CE1 3.45Å; D271-H347 VanDerWaalsContact OD2-CE1 3.28Å; D271-H347 IonicContact OD2-CG 3.84Å; D271-H347 IonicContact OD2-ND1 3.82Å; D271-H347 PolarHBondContact OD2-ND1 3.47Å
272H93.3Very high89.6Confident19 Ų1938 Ų389%0.08821%0.21CC..Hα-helixtrans-97.2-2.1176.5-77.3-103000114.3L225 P231 L268 L269 Y314 H347L225-H272 HydrophobicContact CD2-CB 3.97Å; L225-H272 PolarHBondContact O-CE1 3.43Å; L225-H272 PolarHBondContact O-ND1 2.75Å; L225-H272 VanDerWaalsContact O-ND1 3.12Å; P231-H272 HydrophobicContact CB-CB 4.32Å; L268-H272 WeakPolarHBondContact O-CB 3.46Å; L268-H272 PolarHBondContact O-CD2 2.91Å; L268-H272 PolarHBondContact O-N 3.21Å; L269-H272 PolarHBondContact O-N 3.35Å; H272-Y314 PolarHBondContact N-OH 2.99Å; H272-H347 AromaticContact CD2-CE1 3.78Å; H272-H347 AromaticContact CE1-CD2 3.72Å; H272-H347 AromaticContact CE1-CE1 3.72Å; H272-H347 AromaticContact CE1-NE2 3.57Å; H272-H347 AromaticContact ND1-NE2 3.84Å; H272-H347 AromaticContact NE2-CE1 3.6Å; H272-H347 AromaticContact NE2-CG 3.87Å; H272-H347 AromaticContact NE2-ND1 3.61Å; H272-H347 AromaticContact NE2-NE2 3.91Å
273G91.4Very high88Confident6 Ų641 Ų416%0.06222%0.224CC..THydrogen-bonded Turntrans98.930.716800000114.8L269 Y314 I318 R322L269-G273 PolarHBondContact O-N 2.44Å; G273-Y314 VanDerWaalsContact CA-OH 3.31Å; G273-Y314 WeakPolarHBondContact CA-OH 3.18Å; G273-Y314 PolarHBondContact N-OH 3.2Å; G273-I318 VanDerWaalsContact CA-CD1 3.47Å; G273-R322 PolarHBondContact O-NH2 3Å; G273-R322 VanDerWaalsContact O-NH2 3.09Å
274A91.4Very high85.8Confident1 Ų145 Ų451%0.00825%0.248CC..  trans-59.4138.7164.100000110.4P231 D232 L269 P276P231-A274 HydrophobicContact CB-CB 4.05Å; D232-A274 WeakPolarHBondContact OD1-CA 3.38Å; L269-A274 HydrophobicContact CB-CB 3.82Å; L269-A274 WeakPolarHBondContact O-CB 3.41Å; L269-A274 PolarHBondContact O-N 2.75Å; A274-P276 WeakPolarHBondContact O-CD 3.22Å
275D88.4Confident83.8Confident73 Ų7348.5 Ų48.539%0.3926%0.261SS..  trans-91.7112178.4-176.8-2.5000110.9D232 A277 L278D232-D275 PolarHBondContact OD1-N 3.29Å; D275-A277 PolarHBondContact O-N 3.42Å; D275-A277 VanDerWaalsContact OD1-CB 3.23Å; D275-A277 WeakPolarHBondContact OD1-CB 3.09Å; D275-A277 PolarHBondContact OD1-N 2.86Å; D275-L278 HydrophobicContact CB-CD1 3.84Å; D275-L278 HydrophobicContact CB-CG 3.92Å; D275-L278 WeakPolarHBondContact O-CB 3.31Å; D275-L278 PolarHBondContact O-N 3.35Å
276P89.6Confident81.9Confident8 Ų850 Ų505%0.05227%0.269CS..G310 helixtrans-62.5-23177.9-18.531.2000114L253 L270 A274 L278 V279 F302 A305 R306L253-P276 HydrophobicContact CD2-CB 4.31Å; L270-P276 HydrophobicContact CD2-CG 3.7Å; A274-P276 WeakPolarHBondContact O-CD 3.22Å; P276-L278 PolarHBondContact O-N 3.34Å; P276-V279 PolarHBondContact O-N 2.95Å; P276-F302 HydrophobicContact CB-CD2 4.29Å; P276-F302 HydrophobicContact CB-CE2 4.01Å; P276-A305 HydrophobicContact CG-CB 3.98Å; P276-R306 HydrophobicContact CB-CB 4.12Å; P276-R306 HydrophobicContact CB-CG 4.47Å
277A86.5Confident79.8Confident76 Ų7658.4 Ų58.463%0.62831%0.308SS*.G310 helixtrans-69-19-179.400000112.6D275 V279D275-A277 PolarHBondContact O-N 3.42Å; D275-A277 VanDerWaalsContact OD1-CB 3.23Å; D275-A277 WeakPolarHBondContact OD1-CB 3.09Å; D275-A277 PolarHBondContact OD1-N 2.86Å; A277-V279 PolarHBondContact O-N 2.95Å
278L82.1Confident77.8Confident44 Ų4456.1 Ų56.123%0.2331%0.306CS..G310 helixtrans-72.7-12.5177.1-62.3174.2000113.4D232 F233 C251 D275 P276 P280D232-L278 HydrophobicContact CB-CD1 3.92Å; F233-L278 HydrophobicContact CE2-CD1 3.8Å; F233-L278 HydrophobicContact CZ-CD1 3.61Å; F233-L278 HydrophobicContact CZ-CD2 4.33Å; F233-L278 HydrophobicContact CZ-CG 4.47Å; C251-L278 HydrophobicContact CB-CB 4.07Å; C251-L278 HydrophobicContact CB-CD1 4.5Å; D275-L278 HydrophobicContact CB-CD1 3.84Å; D275-L278 HydrophobicContact CB-CG 3.92Å; D275-L278 WeakPolarHBondContact O-CB 3.31Å; D275-L278 PolarHBondContact O-N 3.35Å; P276-L278 PolarHBondContact O-N 3.34Å; L278-P280 WeakPolarHBondContact O-CD 3.47Å
279V83.6Confident75.5Confident5 Ų561.4 Ų61.43%0.0334%0.342CS..  trans-85.2113.6178.5-178.80000109.3L253 D254 P276 A277 W281 F302L253-V279 HydrophobicContact CB-CG2 3.99Å; L253-V279 HydrophobicContact CD2-CG2 3.94Å; L253-V279 HydrophobicContact CG-CG2 4.01Å; D254-V279 HydrophobicContact CB-CG1 4.28Å; D254-V279 HydrophobicContact CB-CG2 4.25Å; P276-V279 PolarHBondContact O-N 2.95Å; A277-V279 PolarHBondContact O-N 2.95Å; V279-W281 HydrophobicContact CG1-CB 4.18Å; V279-W281 HydrophobicContact CG1-CD2 3.9Å; V279-W281 HydrophobicContact CG1-CG 3.56Å; V279-W281 PolarHBondContact O-N 3.41Å; V279-F302 HydrophobicContact CB-CE2 3.73Å; V279-F302 HydrophobicContact CB-CZ 3.64Å; V279-F302 HydrophobicContact CG1-CE1 4.36Å; V279-F302 HydrophobicContact CG1-CE2 4.09Å; V279-F302 HydrophobicContact CG1-CZ 3.64Å; V279-F302 HydrophobicContact CG2-CE2 3.66Å; V279-F302 HydrophobicContact CG2-CZ 4.08Å
280P76.2Confident73.6Confident69 Ų6969.1 Ų69.145%0.44838%0.383SS..  trans-80.925.3-169.534.9-38.5000113.7S250 L278 E282S250-P280 WeakPolarHBondContact OG-CD 3.29Å; L278-P280 WeakPolarHBondContact O-CD 3.47Å; P280-E282 PolarHBondContact O-N 3.24Å
281W78.3Confident72Confident23 Ų2373.2 Ų73.29%0.08740%0.397CS..  trans-78.7114.6-173.6-65.613.3000111D254 L257 R258 V279 L286 V294 L299 F302 R306D254-W281 PolarHBondContact OD1-NE1 2.85Å; L257-W281 HydrophobicContact CB-CH2 3.51Å; L257-W281 HydrophobicContact CB-CZ2 3.73Å; L257-W281 HydrophobicContact CB-CZ3 4.43Å; L257-W281 HydrophobicContact CD1-CH2 4Å; L257-W281 HydrophobicContact CD1-CZ2 4.18Å; L257-W281 HydrophobicContact CD1-CZ3 4.25Å; L257-W281 HydrophobicContact CG-CH2 4.29Å; R258-W281 HydrophobicContact CG-CZ2 4.14Å; V279-W281 HydrophobicContact CG1-CB 4.18Å; V279-W281 HydrophobicContact CG1-CD2 3.9Å; V279-W281 HydrophobicContact CG1-CG 3.56Å; V279-W281 PolarHBondContact O-N 3.41Å; W281-L286 HydrophobicContact CE3-CD2 3.67Å; W281-L286 HydrophobicContact CZ3-CD2 4.12Å; W281-V294 HydrophobicContact CH2-CG1 4.23Å; W281-V294 HydrophobicContact CH2-CG2 3.76Å; W281-V294 HydrophobicContact CZ3-CG1 4.48Å; W281-V294 HydrophobicContact CZ3-CG2 4.29Å; W281-L299 HydrophobicContact CE3-CD1 4.31Å; W281-L299 HydrophobicContact CZ3-CD1 3.87Å; W281-F302 HydrophobicContact CE3-CE1 4.42Å; W281-R306 PolarHBondContact O-NH1 3.18Å
282E69.1Low70.3Confident135 Ų13577.7 Ų77.763%0.63141%0.41SS*.  trans-78153169.3-65.7-172.8176.500111P280 V284 E285P280-E282 PolarHBondContact O-N 3.24Å; E282-V284 PolarHBondContact O-N 3.03Å; E282-V284 VanDerWaalsContact O-N 3.16Å; E282-E285 HydrophobicContact CB-CG 4.5Å; E282-E285 PolarHBondContact O-N 3.28Å; E282-E285 VanDerWaalsContact O-N 3.13Å
283Q59.3Low69.1Low147 Ų14786.3 Ų86.369%0.68745%0.447SS*.G310 helixtrans-57.7-31.2-179.1-76.8-179.9-12.300112.7E285 L286Q283-E285 VanDerWaalsContact C-N 3.34Å; Q283-E285 PolarHBondContact O-N 3.31Å; Q283-L286 WeakPolarHBondContact O-CB 3.42Å; Q283-L286 PolarHBondContact O-N 2.98Å
284V51Low68.6Low115 Ų11586.9 Ų86.970%0.69745%0.449SS*.G310 helixtrans-71.1-26.7-178.3-176.50000112.4E282 L286E282-V284 PolarHBondContact O-N 3.03Å; E282-V284 VanDerWaalsContact O-N 3.16Å; V284-L286 VanDerWaalsContact C-N 3.31Å; V284-L286 PolarHBondContact O-N 2.93Å
285E55.1Low68.5Low111 Ų11189.3 Ų89.352%0.51946%0.462SS..G310 helixtrans-77.5-17.8177.7-62.5-176.1145.200112.9E282 Q283 E287E282-E285 HydrophobicContact CB-CG 4.5Å; E282-E285 PolarHBondContact O-N 3.28Å; E282-E285 VanDerWaalsContact O-N 3.13Å; Q283-E285 VanDerWaalsContact C-N 3.34Å; Q283-E285 PolarHBondContact O-N 3.31Å; E285-E287 VanDerWaalsContact C-N 3.27Å; E285-E287 PolarHBondContact O-N 3.18Å
286L55.6Low68.5Low32 Ų3290.8 Ų90.817%0.16848%0.476CS..G310 helixtrans-71.9-22.1178.2-61.5170.9000112.5W281 Q283 V284 R291 L299 L303W281-L286 HydrophobicContact CE3-CD2 3.67Å; W281-L286 HydrophobicContact CZ3-CD2 4.12Å; Q283-L286 WeakPolarHBondContact O-CB 3.42Å; Q283-L286 PolarHBondContact O-N 2.98Å; V284-L286 VanDerWaalsContact C-N 3.31Å; V284-L286 PolarHBondContact O-N 2.93Å; L286-R291 VanDerWaalsContact O-CZ 3.26Å; L286-R291 PolarHBondContact O-NH1 2.94Å; L286-L299 HydrophobicContact CD2-CD1 3.97Å; L286-L299 HydrophobicContact CD2-CD2 4.35Å; L286-L303 HydrophobicContact CD1-CD2 4.35Å
287E51.7Low68.6Low175 Ų17593.6 Ų93.682%0.81849%0.488SS*.G310 helixtrans-103.7-1.3-171.1-60.2-170.3166.300114E285E285-E287 VanDerWaalsContact C-N 3.27Å; E285-E287 PolarHBondContact O-N 3.18Å
288A54.5Low68.9Low51 Ų5190 Ų9042%0.42146%0.458SS..  trans-73.8139.2-17600000113.5N290A288-N290 PolarHBondContact O-N 3.27Å
289P47.6Very low69.4Low126 Ų12689 Ų8982%0.81845%0.453SS*.THydrogen-bonded Turntrans-72.7-15.3-170.525.9-34000115.8R291P289-R291 VanDerWaalsContact C-N 3.32Å; P289-R291 PolarHBondContact O-N 3.49Å
290N54Low69.7Low162 Ų16296.3 Ų96.387%0.86648%0.48SS*.THydrogen-bonded Turntrans-93.835.2-178.4-73-11.4000113.3A288A288-N290 PolarHBondContact O-N 3.27Å
291R60.1Low70.6Confident101 Ų10194 Ų9438%0.38147%0.465SS..  trans-75.5137.7-164.5-140.5177.3179.9-163.5-10113.6L286 P289L286-R291 VanDerWaalsContact O-CZ 3.26Å; L286-R291 PolarHBondContact O-NH1 2.94Å; P289-R291 VanDerWaalsContact C-N 3.32Å; P289-R291 PolarHBondContact O-N 3.49Å
292R58.4Low71.2Confident153 Ų15392.9 Ų92.958%0.57746%0.461SS*.  trans-59.9134.2155.1-72.1-177.5179.6171.43.2107.9V294R292-V294 VanDerWaalsContact C-N 3.35Å; R292-V294 PolarHBondContact O-N 2.83Å
293K67.8Low72.3Confident199 Ų19988.5 Ų88.587%0.86544%0.441SS*.  trans-69.786.4-175.1-168.3178.5-178.8-177.20110.3
294V81.1Confident73.8Confident18 Ų1886.5 Ų86.511%0.10943%0.432CS..  trans-74137.6171.5-174.30000108.2L257 W281 R292 P296 L299L257-V294 HydrophobicContact CB-CG1 4.4Å; L257-V294 HydrophobicContact CD2-CG1 4.17Å; W281-V294 HydrophobicContact CH2-CG1 4.23Å; W281-V294 HydrophobicContact CH2-CG2 3.76Å; W281-V294 HydrophobicContact CZ3-CG1 4.48Å; W281-V294 HydrophobicContact CZ3-CG2 4.29Å; R292-V294 VanDerWaalsContact C-N 3.35Å; R292-V294 PolarHBondContact O-N 2.83Å; V294-P296 WeakPolarHBondContact O-CD 3.44Å; V294-L299 HydrophobicContact CG1-CB 4.13Å
295D87.8Confident75.7Confident53 Ų5382 Ų8228%0.28341%0.407SS..  trans-62.5125.2173.5179.9-87.8000110.4E297 A298 L299D295-E297 VanDerWaalsContact C-N 3.28Å; D295-E297 PolarHBondContact O-N 3.46Å; D295-E297 WeakPolarHBondContact OD1-CA 3.35Å; D295-E297 WeakPolarHBondContact OD1-CB 3.5Å; D295-E297 PolarHBondContact OD1-N 3.37Å; D295-A298 HydrophobicContact CB-CB 3.82Å; D295-A298 PolarHBondContact O-N 3.16Å; D295-A298 PolarHBondContact OD1-N 3.3Å; D295-L299 WeakPolarHBondContact O-CB 3.37Å; D295-L299 PolarHBondContact O-N 2.91Å
296P88.7Confident77.4Confident103 Ų10380.9 Ų80.967%0.66940%0.398SS*.Hα-helixtrans-62.6-33.9-175.6-24.233.7000113.7V294 R300V294-P296 WeakPolarHBondContact O-CD 3.44Å; P296-R300 WeakPolarHBondContact O-CB 3.29Å; P296-R300 PolarHBondContact O-N 3.27Å
297E92.9Very high79Confident67 Ų6786.7 Ų86.731%0.31342%0.422SS..Hα-helixtrans-74.5-44.4-178.6-174.954.1-135.500110.5V263 D295 L299 R300 V301V263-E297 HydrophobicContact CB-CB 4.38Å; V263-E297 HydrophobicContact CB-CG 3.94Å; V263-E297 HydrophobicContact CG1-CG 4.14Å; V263-E297 HydrophobicContact CG2-CG 3.92Å; D295-E297 VanDerWaalsContact C-N 3.28Å; D295-E297 PolarHBondContact O-N 3.46Å; D295-E297 WeakPolarHBondContact OD1-CA 3.35Å; D295-E297 WeakPolarHBondContact OD1-CB 3.5Å; D295-E297 PolarHBondContact OD1-N 3.37Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.45Å; E297-R300 WeakPolarHBondContact O-CB 3.27Å; E297-R300 PolarHBondContact O-N 3.16Å; E297-R300 IonicContact OE1-CZ 3.7Å; E297-R300 IonicContact OE1-NE 3.07Å; E297-R300 PolarHBondContact OE1-NE 3.4Å; E297-R300 IonicContact OE1-NH2 3.69Å; E297-R300 PolarHBondContact OE1-NH2 3.21Å; E297-R300 IonicContact OE2-CZ 3.84Å; E297-R300 IonicContact OE2-NE 3.22Å; E297-R300 PolarHBondContact OE2-NE 3.44Å; E297-R300 IonicContact OE2-NH1 3.73Å; E297-R300 IonicContact OE2-NH2 2.86Å; E297-R300 PolarHBondContact OE2-NH2 2.8Å; E297-V301 WeakPolarHBondContact O-CG2 3.22Å; E297-V301 PolarHBondContact O-N 3.27Å
298A92.9Very high80.6Confident1 Ų182.1 Ų82.11%0.00840%0.403CS..Hα-helixtrans-56.2-44.1171.300000111.8L257 V263 V266 D295 V301 F302L257-A298 HydrophobicContact CD2-CB 4.23Å; V263-A298 HydrophobicContact CB-CB 4.47Å; V266-A298 HydrophobicContact CG2-CB 3.91Å; D295-A298 HydrophobicContact CB-CB 3.82Å; D295-A298 PolarHBondContact O-N 3.16Å; D295-A298 PolarHBondContact OD1-N 3.3Å; A298-V301 PolarHBondContact O-N 3Å; A298-F302 WeakPolarHBondContact O-CB 3.44Å; A298-F302 PolarHBondContact O-N 3.44Å
299L90.8Very high81.8Confident22 Ų2285.5 Ų85.512%0.11542%0.421CS..Hα-helixtrans-62.6-43.2176.6-179.957000111.9W281 L286 V294 D295 E297 F302 L303W281-L299 HydrophobicContact CE3-CD1 4.31Å; W281-L299 HydrophobicContact CZ3-CD1 3.87Å; L286-L299 HydrophobicContact CD2-CD1 3.97Å; L286-L299 HydrophobicContact CD2-CD2 4.35Å; V294-L299 HydrophobicContact CG1-CB 4.13Å; D295-L299 WeakPolarHBondContact O-CB 3.37Å; D295-L299 PolarHBondContact O-N 2.91Å; E297-L299 VanDerWaalsContact C-N 3.3Å; E297-L299 PolarHBondContact O-N 3.45Å; L299-F302 HydrophobicContact CD1-CD1 4.1Å; L299-F302 PolarHBondContact O-N 3.12Å; L299-L303 HydrophobicContact CD1-CD1 4.06Å; L299-L303 HydrophobicContact CD1-CG 4.07Å; L299-L303 HydrophobicContact CG-CD1 4.02Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 WeakPolarHBondContact O-CB 3.33Å; L299-L303 VanDerWaalsContact O-CG 3.28Å; L299-L303 WeakPolarHBondContact O-CG 3.15Å; L299-L303 PolarHBondContact O-N 3.36Å
300R91.4Very high83.5Confident159 Ų15982.5 Ų82.560%0.640%0.396SS*.Hα-helixtrans-60-49.9177.8-177178.273.4166.36.9111.5P296 E297 F302 L303 E304P296-R300 WeakPolarHBondContact O-CB 3.29Å; P296-R300 PolarHBondContact O-N 3.27Å; E297-R300 WeakPolarHBondContact O-CB 3.27Å; E297-R300 PolarHBondContact O-N 3.16Å; E297-R300 IonicContact OE1-CZ 3.7Å; E297-R300 IonicContact OE1-NE 3.07Å; E297-R300 PolarHBondContact OE1-NE 3.4Å; E297-R300 IonicContact OE1-NH2 3.69Å; E297-R300 PolarHBondContact OE1-NH2 3.21Å; E297-R300 IonicContact OE2-CZ 3.84Å; E297-R300 IonicContact OE2-NE 3.22Å; E297-R300 PolarHBondContact OE2-NE 3.44Å; E297-R300 IonicContact OE2-NH1 3.73Å; E297-R300 IonicContact OE2-NH2 2.86Å; E297-R300 PolarHBondContact OE2-NH2 2.8Å; R300-F302 VanDerWaalsContact C-N 3.34Å; R300-F302 PolarHBondContact O-N 2.89Å; R300-L303 PolarHBondContact O-N 3.23Å; R300-E304 WeakPolarHBondContact O-CB 3.45Å; R300-E304 PolarHBondContact O-N 3.32Å
301V93.8Very high85.2Confident21 Ų2184.6 Ų84.613%0.12739%0.392CS..Hα-helixtrans-61.7-42.9179.3171.70000111.2V263 V266 L270 E297 A298 E304 A305V263-V301 HydrophobicContact CG2-CB 4.11Å; V263-V301 HydrophobicContact CG2-CG2 3.59Å; V266-V301 HydrophobicContact CG1-CB 4.36Å; V266-V301 HydrophobicContact CG1-CG1 3.92Å; L270-V301 HydrophobicContact CD1-CG1 3.78Å; E297-V301 WeakPolarHBondContact O-CG2 3.22Å; E297-V301 PolarHBondContact O-N 3.27Å; A298-V301 PolarHBondContact O-N 3Å; V301-E304 PolarHBondContact O-N 2.91Å; V301-A305 WeakPolarHBondContact O-CB 3.5Å; V301-A305 PolarHBondContact O-N 3.12Å
302F92.3Very high86.6Confident0 Ų086.1 Ų86.10%041%0.406CS..Hα-helixtrans-59-49.6174.7161.3-108000112.3L253 L257 V266 P276 V279 W281 A298 L299 R300 E304 A305 R306L253-F302 HydrophobicContact CD2-CD2 3.79Å; L253-F302 HydrophobicContact CD2-CE2 4.07Å; L253-F302 HydrophobicContact CG-CD2 4.31Å; L257-F302 HydrophobicContact CD1-CB 4.28Å; L257-F302 HydrophobicContact CD1-CD1 3.98Å; L257-F302 HydrophobicContact CD1-CD2 4.09Å; L257-F302 HydrophobicContact CD1-CE1 4.36Å; L257-F302 HydrophobicContact CD1-CE2 4.47Å; L257-F302 HydrophobicContact CD1-CG 3.82Å; L257-F302 HydrophobicContact CD2-CB 4.3Å; V266-F302 HydrophobicContact CG1-CB 4.48Å; P276-F302 HydrophobicContact CB-CD2 4.29Å; P276-F302 HydrophobicContact CB-CE2 4.01Å; V279-F302 HydrophobicContact CB-CE2 3.73Å; V279-F302 HydrophobicContact CB-CZ 3.64Å; V279-F302 HydrophobicContact CG1-CE1 4.36Å; V279-F302 HydrophobicContact CG1-CE2 4.09Å; V279-F302 HydrophobicContact CG1-CZ 3.64Å; V279-F302 HydrophobicContact CG2-CE2 3.66Å; V279-F302 HydrophobicContact CG2-CZ 4.08Å; W281-F302 HydrophobicContact CE3-CE1 4.42Å; A298-F302 WeakPolarHBondContact O-CB 3.44Å; A298-F302 PolarHBondContact O-N 3.44Å; L299-F302 HydrophobicContact CD1-CD1 4.1Å; L299-F302 PolarHBondContact O-N 3.12Å; R300-F302 VanDerWaalsContact C-N 3.34Å; R300-F302 PolarHBondContact O-N 2.89Å; F302-E304 VanDerWaalsContact C-N 3.28Å; F302-E304 PolarHBondContact O-N 3.45Å; F302-A305 PolarHBondContact O-N 2.55Å; F302-R306 PolarHBondContact O-N 3.47Å
303L90.8Very high88.2Confident43 Ų4382.8 Ų82.823%0.22540%0.403CS..Hα-helixtrans-63.3-35.7-179.1-71.9173.6000112.2L286 L299 R300 R306 K307L286-L303 HydrophobicContact CD1-CD2 4.35Å; L299-L303 HydrophobicContact CD1-CD1 4.06Å; L299-L303 HydrophobicContact CD1-CG 4.07Å; L299-L303 HydrophobicContact CG-CD1 4.02Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 WeakPolarHBondContact O-CB 3.33Å; L299-L303 VanDerWaalsContact O-CG 3.28Å; L299-L303 WeakPolarHBondContact O-CG 3.15Å; L299-L303 PolarHBondContact O-N 3.36Å; R300-L303 PolarHBondContact O-N 3.23Å; L303-R306 PolarHBondContact O-N 3.37Å; L303-K307 WeakPolarHBondContact O-CG 3.23Å; L303-K307 PolarHBondContact O-N 2.86Å
304E91.7Very high89.3Confident104 Ų10474.4 Ų74.449%0.48637%0.366SS..Hα-helixtrans-66.9-45.9175.5-17267.2178.800111.6R300 V301 F302 R306 K307 N308R300-E304 WeakPolarHBondContact O-CB 3.45Å; R300-E304 PolarHBondContact O-N 3.32Å; V301-E304 PolarHBondContact O-N 2.91Å; F302-E304 VanDerWaalsContact C-N 3.28Å; F302-E304 PolarHBondContact O-N 3.45Å; E304-R306 PolarHBondContact O-N 2.85Å; E304-K307 PolarHBondContact O-N 2.91Å; E304-K307 VanDerWaalsContact O-N 3.12Å; E304-N308 PolarHBondContact O-N 3.06Å; E304-N308 PolarHBondContact OE1-ND2 3.08Å
305A91.3Very high89.7Confident22 Ų2277.5 Ų77.518%0.18238%0.382CS..Hα-helixtrans-62.3-30.6176.500000112.7L270 P276 V301 F302L270-A305 HydrophobicContact CD1-CB 3.62Å; L270-A305 HydrophobicContact CD2-CB 3.9Å; L270-A305 HydrophobicContact CG-CB 4.41Å; P276-A305 HydrophobicContact CG-CB 3.98Å; V301-A305 WeakPolarHBondContact O-CB 3.5Å; V301-A305 PolarHBondContact O-N 3.12Å; F302-A305 PolarHBondContact O-N 2.55Å
306R89.3Confident90Very high87 Ų8777.7 Ų77.733%0.32839%0.387SS..Hα-helixtrans-72.1-29.1175.9-166.4169.570.3169.11.9113.1P276 W281 F302 L303 E304P276-R306 HydrophobicContact CB-CB 4.12Å; P276-R306 HydrophobicContact CB-CG 4.47Å; W281-R306 PolarHBondContact O-NH1 3.18Å; F302-R306 PolarHBondContact O-N 3.47Å; L303-R306 PolarHBondContact O-N 3.37Å; E304-R306 PolarHBondContact O-N 2.85Å
307K89.4Confident90.2Very high154 Ų15473.4 Ų73.467%0.6736%0.357SS*.Hα-helixtrans-86.2-37.5-179.6-71.1175.3-177.21780112.5L303 E304L303-K307 WeakPolarHBondContact O-CG 3.23Å; L303-K307 PolarHBondContact O-N 2.86Å; E304-K307 PolarHBondContact O-N 2.91Å; E304-K307 VanDerWaalsContact O-N 3.12Å
308N87.1Confident90.2Very high79 Ų7971 Ų7142%0.42235%0.347SS..SBendtrans-104.1127.4-170.3-65.5-31.8000111.7E304E304-N308 PolarHBondContact O-N 3.06Å; E304-N308 PolarHBondContact OE1-ND2 3.08Å
309P79.3Confident90.1Very high122 Ų12279.2 Ų79.279%0.79238%0.377SS*.PPolyproline II helixtrans-65.1143.6173.827.8-33.4000110.8
310H83.4Confident90.2Very high62 Ų6281.3 Ų81.329%0.28739%0.388SS..PPolyproline II helixtrans-62.1148.8176.1-66.8-72.5000112.2Y314 L315H310-Y314 HydrophobicContact CB-CD1 3.55Å; H310-Y314 HydrophobicContact CB-CE1 4.2Å; H310-Y314 HydrophobicContact CB-CG 4.39Å; H310-Y314 AromaticContact CE1-CE1 3.68Å; H310-Y314 AromaticContact CG-CD1 3.53Å; H310-Y314 AromaticContact CG-CE1 3.66Å; H310-Y314 AromaticContact ND1-CD1 3.53Å; H310-Y314 AromaticContact ND1-CE1 3.41Å; H310-Y314 WeakPolarHBondContact ND1-CE1 3.46Å; H310-L315 HydrophobicContact CB-CD2 3.96Å; H310-L315 HydrophobicContact CB-CG 4.1Å
311R88.3Confident90.3Very high207 Ų20774.8 Ų74.878%0.78136%0.363SS*.PPolyproline II helixtrans-59.1145.3171.8-66.7-177.4177-177-0.6110.5T313 Y314 L315R311-T313 VanDerWaalsContact C-N 3.26Å; R311-T313 PolarHBondContact O-N 3.21Å; R311-Y314 VanDerWaalsContact O-CB 3.27Å; R311-Y314 WeakPolarHBondContact O-CB 3.36Å; R311-Y314 PolarHBondContact O-N 2.99Å; R311-L315 PolarHBondContact O-N 3.26Å; R311-L315 VanDerWaalsContact O-N 3.17Å
312L90.6Very high90Very high132 Ų13279.2 Ų79.269%0.69138%0.378SS*.Hα-helixtrans-55-41.2179.3-179.961.2000112.8Y314 L315 C316L312-Y314 PolarHBondContact O-N 3.37Å; L312-L315 PolarHBondContact O-N 3.08Å; L312-C316 PolarHBondContact O-N 3.01Å; L312-C316 PolarHBondContact O-SG 3.1Å
313T91.3Very high89.9Confident84 Ų8483.3 Ų83.352%0.51540%0.403SS..Hα-helixtrans-57.7-39.317851.10000112.4R311 C316 R317 F344R311-T313 VanDerWaalsContact C-N 3.26Å; R311-T313 PolarHBondContact O-N 3.21Å; T313-C316 WeakPolarHBondContact O-CB 3.11Å; T313-C316 PolarHBondContact O-N 3.45Å; T313-R317 PolarHBondContact O-N 3.29Å; T313-R317 VanDerWaalsContact O-N 3.07Å; T313-F344 WeakPolarHBondContact O-CE1 3.16Å; T313-F344 WeakPolarHBondContact O-CZ 3.39Å
314Y90.8Very high89.8Confident23 Ų2382.6 Ų82.69%0.0940%0.399CS..Hα-helixtrans-68.2-44.7178.7179.1-90.7000111.6L270 D271 H272 G273 H310 R311 L312 C316 R317 I318L270-Y314 PolarHBondContact O-OH 3.48Å; D271-Y314 WeakPolarHBondContact CA-OH 3.23Å; D271-Y314 WeakPolarHBondContact O-CE2 3.43Å; D271-Y314 PolarHBondContact O-OH 3.25Å; H272-Y314 PolarHBondContact N-OH 2.99Å; G273-Y314 VanDerWaalsContact CA-OH 3.31Å; G273-Y314 WeakPolarHBondContact CA-OH 3.18Å; G273-Y314 PolarHBondContact N-OH 3.2Å; H310-Y314 HydrophobicContact CB-CD1 3.55Å; H310-Y314 HydrophobicContact CB-CE1 4.2Å; H310-Y314 HydrophobicContact CB-CG 4.39Å; H310-Y314 AromaticContact CE1-CE1 3.68Å; H310-Y314 AromaticContact CG-CD1 3.53Å; H310-Y314 AromaticContact CG-CE1 3.66Å; H310-Y314 AromaticContact ND1-CD1 3.53Å; H310-Y314 AromaticContact ND1-CE1 3.41Å; H310-Y314 WeakPolarHBondContact ND1-CE1 3.46Å; R311-Y314 VanDerWaalsContact O-CB 3.27Å; R311-Y314 WeakPolarHBondContact O-CB 3.36Å; R311-Y314 PolarHBondContact O-N 2.99Å; L312-Y314 PolarHBondContact O-N 3.37Å; Y314-C316 VanDerWaalsContact C-N 3.31Å; Y314-C316 PolarHBondContact O-N 3.3Å; Y314-R317 PolarHBondContact O-N 3.15Å; Y314-I318 HydrophobicContact CD1-CD1 3.68Å; Y314-I318 HydrophobicContact CE1-CD1 3.1Å; Y314-I318 HydrophobicContact CE1-CG1 4.02Å; Y314-I318 PolarHBondContact O-N 3.12Å; Y314-I318 VanDerWaalsContact O-N 3.09Å
315L90.8Very high89.5Confident82 Ų8278.9 Ų78.943%0.42939%0.388SS..Hα-helixtrans-60-40.8173.3-64176000112H310 R311 L312 R317 I318 R319H310-L315 HydrophobicContact CB-CD2 3.96Å; H310-L315 HydrophobicContact CB-CG 4.1Å; R311-L315 PolarHBondContact O-N 3.26Å; R311-L315 VanDerWaalsContact O-N 3.17Å; L312-L315 PolarHBondContact O-N 3.08Å; L315-R317 PolarHBondContact O-N 3.43Å; L315-I318 PolarHBondContact O-N 3.17Å; L315-R319 WeakPolarHBondContact O-CB 3.1Å; L315-R319 PolarHBondContact O-N 2.95Å
316C93Very high89.3Confident58 Ų5881.3 Ų81.339%0.39239%0.394SS..Hα-helixtrans-59.5-45.7174.6-67.90000111.6L312 T313 Y314 R319 I320L312-C316 PolarHBondContact O-N 3.01Å; L312-C316 PolarHBondContact O-SG 3.1Å; T313-C316 WeakPolarHBondContact O-CB 3.11Å; T313-C316 PolarHBondContact O-N 3.45Å; Y314-C316 VanDerWaalsContact C-N 3.31Å; Y314-C316 PolarHBondContact O-N 3.3Å; C316-R319 PolarHBondContact O-N 2.79Å; C316-I320 WeakPolarHBondContact O-CB 3.49Å; C316-I320 WeakPolarHBondContact O-CD1 3.19Å; C316-I320 VanDerWaalsContact O-CG1 3.22Å; C316-I320 WeakPolarHBondContact O-CG1 3.26Å; C316-I320 PolarHBondContact O-N 2.94Å
317R94.1Very high89.1Confident13 Ų1381 Ų815%0.04941%0.406CS..Hα-helixtrans-59-49.8177.4176.8172.968.7-176.84.9112.1D271 T313 Y314 L315 R319 I320 R321 F344 L345 H347D271-R317 PolarHBondContact O-NH2 3.21Å; D271-R317 IonicContact OD1-CZ 2.9Å; D271-R317 IonicContact OD1-NH1 3.64Å; D271-R317 IonicContact OD1-NH2 2.77Å; D271-R317 PolarHBondContact OD1-NH2 3.39Å; D271-R317 IonicContact OD2-CZ 3.34Å; D271-R317 IonicContact OD2-NH1 3.77Å; D271-R317 IonicContact OD2-NH2 2.67Å; D271-R317 PolarHBondContact OD2-NH2 2.91Å; T313-R317 PolarHBondContact O-N 3.29Å; T313-R317 VanDerWaalsContact O-N 3.07Å; Y314-R317 PolarHBondContact O-N 3.15Å; L315-R317 PolarHBondContact O-N 3.43Å; R317-R319 VanDerWaalsContact C-N 3.29Å; R317-R319 PolarHBondContact O-N 3.46Å; R317-I320 PolarHBondContact O-N 3.45Å; R317-R321 HydrophobicContact CG-CG 4.37Å; R317-R321 WeakPolarHBondContact O-CB 3.3Å; R317-R321 WeakPolarHBondContact O-CG 3.15Å; R317-R321 PolarHBondContact O-N 3.35Å; R317-F344 HydrophobicContact CB-CD1 4.36Å; R317-F344 HydrophobicContact CB-CE1 3.62Å; R317-F344 HydrophobicContact CB-CZ 3.92Å; R317-F344 WeakPolarHBondContact CD-O 3.45Å; R317-F344 HydrophobicContact CG-CE1 4.36Å; R317-F344 PolarHBondContact NH1-O 3.33Å; R317-L345 HydrophobicContact CB-CD2 4.03Å; R317-L345 HydrophobicContact CG-CD2 3.98Å; R317-H347 PolarHBondContact NE-CE1 2.93Å; R317-H347 PolarHBondContact NH1-ND1 3.16Å
318I91.2Very high89.1Confident17 Ų1780 Ų809%0.08740%0.398CS..Hα-helixtrans-56.6-48.9177.9-65.8162000109.8G273 Y314 L315 I320 R321 R322G273-I318 VanDerWaalsContact CA-CD1 3.47Å; Y314-I318 HydrophobicContact CD1-CD1 3.68Å; Y314-I318 HydrophobicContact CE1-CD1 3.1Å; Y314-I318 HydrophobicContact CE1-CG1 4.02Å; Y314-I318 PolarHBondContact O-N 3.12Å; Y314-I318 VanDerWaalsContact O-N 3.09Å; L315-I318 PolarHBondContact O-N 3.17Å; I318-I320 PolarHBondContact O-N 3.09Å; I318-R321 PolarHBondContact O-N 2.74Å; I318-R322 HydrophobicContact CG2-CG 4.19Å; I318-R322 WeakPolarHBondContact O-CB 3.46Å; I318-R322 WeakPolarHBondContact O-CG 3.26Å; I318-R322 PolarHBondContact O-N 3.24Å
319R91.4Very high89.2Confident172 Ų17276.9 Ų76.965%0.64938%0.381SS*.Hα-helixtrans-62.7-45.6-176.4-171.159.4175.3162.10.3111.6L315 C316 R317 R322 T323L315-R319 WeakPolarHBondContact O-CB 3.1Å; L315-R319 PolarHBondContact O-N 2.95Å; C316-R319 PolarHBondContact O-N 2.79Å; R317-R319 VanDerWaalsContact C-N 3.29Å; R317-R319 PolarHBondContact O-N 3.46Å; R319-R322 PolarHBondContact O-N 3.15Å; R319-T323 WeakPolarHBondContact O-CB 3.47Å; R319-T323 PolarHBondContact O-N 3.26Å; R319-T323 PolarHBondContact O-OG1 2.98Å
320I92.8Very high89.7Confident66 Ų6677.4 Ų77.434%0.33837%0.371SS..Hα-helixtrans-60.6-50.3177.7-69.1163.5000110.6C316 R317 I318 R322 T323 M324 L345C316-I320 WeakPolarHBondContact O-CB 3.49Å; C316-I320 WeakPolarHBondContact O-CD1 3.19Å; C316-I320 VanDerWaalsContact O-CG1 3.22Å; C316-I320 WeakPolarHBondContact O-CG1 3.26Å; C316-I320 PolarHBondContact O-N 2.94Å; R317-I320 PolarHBondContact O-N 3.45Å; I318-I320 PolarHBondContact O-N 3.09Å; I320-R322 PolarHBondContact O-N 3.38Å; I320-T323 PolarHBondContact O-N 2.95Å; I320-M324 HydrophobicContact CG2-CG 4.46Å; I320-M324 HydrophobicContact CG2-SD 4.13Å; I320-M324 WeakPolarHBondContact O-CG 3.36Å; I320-M324 PolarHBondContact O-N 3.29Å; I320-L345 HydrophobicContact CB-CD2 4.18Å; I320-L345 HydrophobicContact CD1-CD2 3.88Å; I320-L345 HydrophobicContact CG2-CD1 4.19Å; I320-L345 HydrophobicContact CG2-CD2 4.14Å
321R93.1Very high90.1Very high22 Ų2278.3 Ų78.38%0.08338%0.375CS..Hα-helixtrans-59.4-44.6178.9-71.517765.678.70.8111.8L225 L226 R317 I318 M324 G325 L329 L345 H347L225-R321 PolarHBondContact O-NH2 2.85Å; L226-R321 PolarHBondContact O-NH2 3.11Å; L226-R321 VanDerWaalsContact O-NH2 3.07Å; R317-R321 HydrophobicContact CG-CG 4.37Å; R317-R321 WeakPolarHBondContact O-CB 3.3Å; R317-R321 WeakPolarHBondContact O-CG 3.15Å; R317-R321 PolarHBondContact O-N 3.35Å; I318-R321 PolarHBondContact O-N 2.74Å; R321-M324 PolarHBondContact O-N 2.66Å; R321-G325 PolarHBondContact O-N 3.01Å; R321-L329 HydrophobicContact CB-CD2 3.94Å; R321-L329 HydrophobicContact CG-CD2 4.03Å; R321-L345 WeakPolarHBondContact CD-O 3.5Å; R321-L345 PolarHBondContact NH1-O 2.86Å; R321-H347 WeakPolarHBondContact CD-NE2 3.43Å; R321-H347 PolarHBondContact NE-NE2 3.29Å
322R87.9Confident90.3Very high115 Ų11568.5 Ų68.543%0.43434%0.338SS..Hα-helixtrans-61.6-43.2175.7-75-178.2177167.51112D232 G273 I318 R319 I320 G325D232-R322 IonicContact OD2-NH2 3.25Å; G273-R322 PolarHBondContact O-NH2 3Å; G273-R322 VanDerWaalsContact O-NH2 3.09Å; I318-R322 HydrophobicContact CG2-CG 4.19Å; I318-R322 WeakPolarHBondContact O-CB 3.46Å; I318-R322 WeakPolarHBondContact O-CG 3.26Å; I318-R322 PolarHBondContact O-N 3.24Å; R319-R322 PolarHBondContact O-N 3.15Å; I320-R322 PolarHBondContact O-N 3.38Å; R322-G325 PolarHBondContact O-N 3.3Å
323T90.1Very high90.3Very high85 Ų8564.3 Ų64.352%0.52132%0.322SS..Hα-helixtrans-66-39.6177.8-64.10000112.1R319 I320 R328R319-T323 WeakPolarHBondContact O-CB 3.47Å; R319-T323 PolarHBondContact O-N 3.26Å; R319-T323 PolarHBondContact O-OG1 2.98Å; I320-T323 PolarHBondContact O-N 2.95Å; T323-R328 PolarHBondContact O-NH2 3.46Å
324M89.3Confident90.4Very high29 Ų2966.9 Ų66.914%0.14333%0.332CS..Hα-helixtrans-66.8-40.1174.7-68.6-172.478.900110.9I320 R321 R328 L329 H331 I332 L335I320-M324 HydrophobicContact CG2-CG 4.46Å; I320-M324 HydrophobicContact CG2-SD 4.13Å; I320-M324 WeakPolarHBondContact O-CG 3.36Å; I320-M324 PolarHBondContact O-N 3.29Å; R321-M324 PolarHBondContact O-N 2.66Å; M324-R328 HydrophobicContact CB-CB 4.33Å; M324-R328 HydrophobicContact CE-CB 4.46Å; M324-R328 VanDerWaalsContact CE-O 3.29Å; M324-R328 WeakPolarHBondContact CE-O 3.49Å; M324-R328 WeakPolarHBondContact O-CB 3.41Å; M324-R328 VanDerWaalsContact O-CZ 3.3Å; M324-R328 PolarHBondContact O-NE 3.47Å; M324-R328 PolarHBondContact O-NH2 3.12Å; M324-L329 HydrophobicContact CB-CD2 4.4Å; M324-H331 HydrophobicContact CE-CB 4.46Å; M324-I332 HydrophobicContact CE-CG1 3.65Å; M324-I332 HydrophobicContact SD-CD1 4.02Å; M324-I332 HydrophobicContact SD-CG1 3.33Å; M324-I332 WeakPolarHBondContact SD-CG1 3.31Å; M324-L335 HydrophobicContact CE-CD1 4.34Å; M324-L335 HydrophobicContact SD-CD1 4.19Å
325G85.9Confident90.5Very high25 Ų2568.4 Ų68.426%0.25834%0.341SS..  trans70.6162-176.900000112.3R321 R322 S327 R328 L329R321-G325 PolarHBondContact O-N 3.01Å; R322-G325 PolarHBondContact O-N 3.3Å; G325-S327 PolarHBondContact O-N 3Å; G325-R328 PolarHBondContact O-N 3.47Å; G325-L329 PolarHBondContact O-N 2.98Å
326K86.3Confident90.7Very high73 Ų7370.9 Ų70.932%0.31736%0.362SS..G310 helixtrans-49.8-48.7-168.5-60.7168.4179.3175.20113.9D183 V184 D185 G228 R328 L329D183-K326 IonicContact OD1-NZ 3.87Å; D183-K326 PolarHBondContact OD1-NZ 3.26Å; V184-K326 HydrophobicContact CG2-CD 3.94Å; D185-K326 VanDerWaalsContact CG-NZ 3.26Å; D185-K326 WeakPolarHBondContact OD2-CE 3.43Å; D185-K326 IonicContact OD2-NZ 3.05Å; D185-K326 PolarHBondContact OD2-NZ 3.4Å; G228-K326 WeakPolarHBondContact O-CE 3.26Å; G228-K326 WeakPolarHBondContact O-CG 3.43Å; K326-R328 PolarHBondContact O-N 2.99Å; K326-L329 PolarHBondContact O-N 3.32Å
327S84.4Confident90.7Very high81 Ų8171.1 Ų71.157%0.56636%0.36SS*.G310 helixtrans-66-23.1-175.559.10000114.2G325 K330G325-S327 PolarHBondContact O-N 3Å; S327-K330 WeakPolarHBondContact O-CE 3.28Å
328R89.8Confident90.8Very high133 Ų13374.1 Ų74.150%0.50238%0.381SS..G310 helixtrans-106-4.8-176.4-58.8-177.7-69.5-166.20113.6T323 M324 G325 K326 K330 H331T323-R328 PolarHBondContact O-NH2 3.46Å; M324-R328 HydrophobicContact CB-CB 4.33Å; M324-R328 HydrophobicContact CE-CB 4.46Å; M324-R328 VanDerWaalsContact CE-O 3.29Å; M324-R328 WeakPolarHBondContact CE-O 3.49Å; M324-R328 WeakPolarHBondContact O-CB 3.41Å; M324-R328 VanDerWaalsContact O-CZ 3.3Å; M324-R328 PolarHBondContact O-NE 3.47Å; M324-R328 PolarHBondContact O-NH2 3.12Å; G325-R328 PolarHBondContact O-N 3.47Å; K326-R328 PolarHBondContact O-N 2.99Å; R328-K330 PolarHBondContact O-N 3.3Å; R328-H331 WeakPolarHBondContact O-CB 3.38Å; R328-H331 PolarHBondContact O-N 3.37Å
329L90.5Very high91Very high14 Ų1478.3 Ų78.37%0.07340%0.4CS..G310 helixtrans-56.6-35.7178.1-70177.1000112.5R321 M324 G325 K326 H331 I332R321-L329 HydrophobicContact CB-CD2 3.94Å; R321-L329 HydrophobicContact CG-CD2 4.03Å; M324-L329 HydrophobicContact CB-CD2 4.4Å; G325-L329 PolarHBondContact O-N 2.98Å; K326-L329 PolarHBondContact O-N 3.32Å; L329-H331 PolarHBondContact O-N 2.94Å; L329-H331 VanDerWaalsContact O-N 3.17Å; L329-I332 HydrophobicContact CD2-CD1 3.89Å; L329-I332 WeakPolarHBondContact O-CB 3.04Å; L329-I332 WeakPolarHBondContact O-CD1 3.43Å; L329-I332 VanDerWaalsContact O-CG1 3.28Å; L329-I332 WeakPolarHBondContact O-CG1 3.41Å; L329-I332 PolarHBondContact O-N 2.99Å; L329-I332 VanDerWaalsContact O-N 3.11Å
330K88.6Confident91.2Very high133 Ų13374.3 Ų74.358%0.57840%0.398SS*.G310 helixtrans-59.4-24.4174.262.3-178.6177.7-179.10113.8S327 R328 I332S327-K330 WeakPolarHBondContact O-CE 3.28Å; R328-K330 PolarHBondContact O-N 3.3Å; K330-I332 VanDerWaalsContact C-N 3.34Å
331H91.9Very high91.2Very high81 Ų8174.6 Ų74.638%0.37540%0.4SS..G310 helixtrans-84.2-3.1179.6-52.8135.3000113.6M324 R328 L329 A333 L334M324-H331 HydrophobicContact CE-CB 4.46Å; R328-H331 WeakPolarHBondContact O-CB 3.38Å; R328-H331 PolarHBondContact O-N 3.37Å; L329-H331 PolarHBondContact O-N 2.94Å; L329-H331 VanDerWaalsContact O-N 3.17Å; H331-A333 PolarHBondContact O-N 3.41Å; H331-L334 HydrophobicContact CB-CD1 4.34Å; H331-L334 WeakPolarHBondContact O-CB 3.42Å; H331-L334 PolarHBondContact O-N 3.49Å
332I92.3Very high91.3Very high0 Ų075 Ų750%040%0.402CS..G310 helixtrans-55.7-37.3175.3-70.4167.2000111M324 L329 K330 L334 L335 L345 L346M324-I332 HydrophobicContact CE-CG1 3.65Å; M324-I332 HydrophobicContact SD-CD1 4.02Å; M324-I332 HydrophobicContact SD-CG1 3.33Å; M324-I332 WeakPolarHBondContact SD-CG1 3.31Å; L329-I332 HydrophobicContact CD2-CD1 3.89Å; L329-I332 WeakPolarHBondContact O-CB 3.04Å; L329-I332 WeakPolarHBondContact O-CD1 3.43Å; L329-I332 VanDerWaalsContact O-CG1 3.28Å; L329-I332 WeakPolarHBondContact O-CG1 3.41Å; L329-I332 PolarHBondContact O-N 2.99Å; L329-I332 VanDerWaalsContact O-N 3.11Å; K330-I332 VanDerWaalsContact C-N 3.34Å; I332-L334 PolarHBondContact O-N 3.16Å; I332-L334 VanDerWaalsContact O-N 3.16Å; I332-L335 HydrophobicContact CG2-CD1 4.39Å; I332-L335 WeakPolarHBondContact O-CB 3.07Å; I332-L335 WeakPolarHBondContact O-CG 3.48Å; I332-L335 PolarHBondContact O-N 2.87Å; I332-L335 VanDerWaalsContact O-N 3.1Å; I332-L345 HydrophobicContact CD1-CB 4.4Å; I332-L345 HydrophobicContact CG2-CB 3.87Å; I332-L345 HydrophobicContact CG2-CD1 4.16Å; I332-L346 HydrophobicContact CB-CD1 4.46Å; I332-L346 HydrophobicContact CB-CD2 3.93Å; I332-L346 HydrophobicContact CB-CG 4.1Å; I332-L346 HydrophobicContact CD1-CD2 3.95Å; I332-L346 HydrophobicContact CD1-CG 4.48Å; I332-L346 HydrophobicContact CG1-CD2 4.49Å; I332-L346 HydrophobicContact CG2-CD1 4.16Å; I332-L346 HydrophobicContact CG2-CD2 4.19Å; I332-L346 HydrophobicContact CG2-CG 3.79Å
333A90.8Very high91.6Very high44 Ų4471.3 Ų71.336%0.36439%0.391SS..G310 helixtrans-60.6-25.2178.100000113.4H331 K342H331-A333 PolarHBondContact O-N 3.41Å; A333-K342 VanDerWaalsContact O-CE 3.3Å; A333-K342 WeakPolarHBondContact O-CE 3.3Å; A333-K342 PolarHBondContact O-NZ 3.42Å
334L93.8Very high91.8Very high138 Ų13870.9 Ų70.972%0.72338%0.382SS*.G310 helixtrans-87.8-8.8-179.2-56175.5000113.2H331 I332H331-L334 HydrophobicContact CB-CD1 4.34Å; H331-L334 WeakPolarHBondContact O-CB 3.42Å; H331-L334 PolarHBondContact O-N 3.49Å; I332-L334 PolarHBondContact O-N 3.16Å; I332-L334 VanDerWaalsContact O-N 3.16Å
335L92.4Very high92Very high55 Ų5569.7 Ų69.729%0.28838%0.376SS..SBendtrans-65.8145.4179.9-65175.3000110.8M324 I332 L337 K342M324-L335 HydrophobicContact CE-CD1 4.34Å; M324-L335 HydrophobicContact SD-CD1 4.19Å; I332-L335 HydrophobicContact CG2-CD1 4.39Å; I332-L335 WeakPolarHBondContact O-CB 3.07Å; I332-L335 WeakPolarHBondContact O-CG 3.48Å; I332-L335 PolarHBondContact O-N 2.87Å; I332-L335 VanDerWaalsContact O-N 3.1Å; L335-L337 HydrophobicContact CB-CD1 3.96Å; L335-L337 HydrophobicContact CB-CG 4.02Å; L335-L337 HydrophobicContact CD1-CD1 3.93Å; L335-L337 PolarHBondContact O-N 3.17Å; L335-K342 WeakPolarHBondContact O-CE 3.45Å; L335-K342 PolarHBondContact O-NZ 2.82Å
336P94.8Very high92.2Very high134 Ų13469.6 Ų69.687%0.8737%0.37SS*.SBendtrans-76.760.2176.233.8-36.3000110.9
337L94.6Very high92.5Very high64 Ų6467.8 Ų67.834%0.33536%0.362SS..SBendtrans-121.6154.4-178.9-63.7174.8000110.6L335 I341 K342 L345L335-L337 HydrophobicContact CB-CD1 3.96Å; L335-L337 HydrophobicContact CB-CG 4.02Å; L335-L337 HydrophobicContact CD1-CD1 3.93Å; L335-L337 PolarHBondContact O-N 3.17Å; L337-I341 HydrophobicContact CD1-CG2 4.14Å; L337-K342 HydrophobicContact CB-CG 4.2Å; L337-K342 WeakPolarHBondContact O-CE 3.44Å; L337-L345 HydrophobicContact CD1-CD1 3.96Å
338P96.2Very high92.6Very high76 Ų7671 Ų7149%0.49436%0.362SS..  trans-55.6147.1168.8-23.933000112.5S340 I341 K342P338-S340 VanDerWaalsContact C-N 3.27Å; P338-S340 PolarHBondContact O-N 3.47Å; P338-I341 HydrophobicContact CB-CG1 4.37Å; P338-I341 HydrophobicContact CG-CD1 4.17Å; P338-I341 HydrophobicContact CG-CG1 4.48Å; P338-I341 PolarHBondContact O-N 3.38Å; P338-K342 PolarHBondContact O-N 3.33Å
339E94.8Very high91.5Very high104 Ų10475.5 Ų75.549%0.48640%0.396SS..Hα-helixtrans-61.4-35-176.2-160.758.2-14400112.8I341 K342 N343E339-I341 VanDerWaalsContact C-N 3.29Å; E339-I341 PolarHBondContact O-N 2.9Å; E339-K342 PolarHBondContact O-N 2.75Å; E339-K342 WeakPolarHBondContact OE2-CD 3.44Å; E339-K342 IonicContact OE2-NZ 3.61Å; E339-N343 WeakPolarHBondContact O-CB 3.48Å; E339-N343 PolarHBondContact O-N 3.29Å
340S94.4Very high91.5Very high88 Ų8878.6 Ų78.662%0.61541%0.413SS*.Hα-helixtrans-59.9-38.2174.2550000112.8P338 F344P338-S340 VanDerWaalsContact C-N 3.27Å; P338-S340 PolarHBondContact O-N 3.47Å; S340-F344 VanDerWaalsContact O-CB 3.3Å; S340-F344 WeakPolarHBondContact O-CB 3.5Å; S340-F344 PolarHBondContact O-N 2.73Å
341I93.9Very high91.7Very high73 Ų7375.7 Ų75.737%0.37440%0.404SS..Hα-helixtrans-73.1-41176.6-59.1-173.2000110L337 P338 E339 N343 F344 L345L337-I341 HydrophobicContact CD1-CG2 4.14Å; P338-I341 HydrophobicContact CB-CG1 4.37Å; P338-I341 HydrophobicContact CG-CD1 4.17Å; P338-I341 HydrophobicContact CG-CG1 4.48Å; P338-I341 PolarHBondContact O-N 3.38Å; E339-I341 VanDerWaalsContact C-N 3.29Å; E339-I341 PolarHBondContact O-N 2.9Å; I341-N343 PolarHBondContact O-N 2.63Å; I341-F344 WeakPolarHBondContact O-CB 3.32Å; I341-F344 PolarHBondContact O-N 3.22Å; I341-L345 HydrophobicContact CG2-CD1 4.12Å; I341-L345 HydrophobicContact CG2-CG 4.29Å; I341-L345 WeakPolarHBondContact O-CB 3.44Å; I341-L345 VanDerWaalsContact O-CG 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.28Å; I341-L345 PolarHBondContact O-N 3.07Å
342K94.5Very high91.7Very high30 Ų3075.4 Ų75.413%0.1341%0.405CS..Hα-helixtrans-60.1-46.9175.7-67.8174.4177.8176.30111.6A333 L335 L337 P338 E339 L345 L346A333-K342 VanDerWaalsContact O-CE 3.3Å; A333-K342 WeakPolarHBondContact O-CE 3.3Å; A333-K342 PolarHBondContact O-NZ 3.42Å; L335-K342 WeakPolarHBondContact O-CE 3.45Å; L335-K342 PolarHBondContact O-NZ 2.82Å; L337-K342 HydrophobicContact CB-CG 4.2Å; L337-K342 WeakPolarHBondContact O-CE 3.44Å; P338-K342 PolarHBondContact O-N 3.33Å; E339-K342 PolarHBondContact O-N 2.75Å; E339-K342 WeakPolarHBondContact OE2-CD 3.44Å; E339-K342 IonicContact OE2-NZ 3.61Å; K342-L345 PolarHBondContact O-N 3.02Å; K342-L346 WeakPolarHBondContact O-CB 3.47Å; K342-L346 WeakPolarHBondContact O-CG 3.4Å; K342-L346 PolarHBondContact O-N 3.49Å
343N93.9Very high91.6Very high38 Ų3879.9 Ų79.920%0.20343%0.429CS..Hα-helixtrans-61.1-45.9176.7-76.3-16.4000111.2E339 I341 L345 L346 H347 R348E339-N343 WeakPolarHBondContact O-CB 3.48Å; E339-N343 PolarHBondContact O-N 3.29Å; I341-N343 PolarHBondContact O-N 2.63Å; N343-L345 VanDerWaalsContact C-N 3.34Å; N343-L345 PolarHBondContact O-N 2.97Å; N343-L346 CarbonylContact O-C 3.59Å; N343-L346 PolarHBondContact O-N 3.34Å; N343-L346 VanDerWaalsContact O-N 3.1Å; N343-H347 PolarHBondContact O-N 3.17Å; N343-R348 CarbonylContact C-O 3.39Å; N343-R348 HydrophobicContact CB-CB 4.07Å; N343-R348 WeakPolarHBondContact CB-O 3.44Å; N343-R348 PolarHBondContact O-N 3.39Å
344F94.1Very high91.7Very high76 Ų7682.1 Ų82.133%0.33343%0.433SS..Hα-helixtrans-55.9-46.1173.5174.3-109.8000112.6T313 R317 S340 I341 L346 H347T313-F344 WeakPolarHBondContact O-CE1 3.16Å; T313-F344 WeakPolarHBondContact O-CZ 3.39Å; R317-F344 HydrophobicContact CB-CD1 4.36Å; R317-F344 HydrophobicContact CB-CE1 3.62Å; R317-F344 HydrophobicContact CB-CZ 3.92Å; R317-F344 WeakPolarHBondContact CD-O 3.45Å; R317-F344 HydrophobicContact CG-CE1 4.36Å; R317-F344 PolarHBondContact NH1-O 3.33Å; S340-F344 VanDerWaalsContact O-CB 3.3Å; S340-F344 WeakPolarHBondContact O-CB 3.5Å; S340-F344 PolarHBondContact O-N 2.73Å; I341-F344 WeakPolarHBondContact O-CB 3.32Å; I341-F344 PolarHBondContact O-N 3.22Å; F344-L346 VanDerWaalsContact C-N 3.3Å; F344-L346 PolarHBondContact O-N 3.13Å; F344-H347 PolarHBondContact O-N 2.99Å
345L93.4Very high91.6Very high3 Ų378.4 Ų78.42%0.01641%0.414CS..Hα-helixtrans-67.6-27.9177.7-68.3176.8000113.6R317 I320 R321 I332 L337 I341 K342 N343R317-L345 HydrophobicContact CB-CD2 4.03Å; R317-L345 HydrophobicContact CG-CD2 3.98Å; I320-L345 HydrophobicContact CB-CD2 4.18Å; I320-L345 HydrophobicContact CD1-CD2 3.88Å; I320-L345 HydrophobicContact CG2-CD1 4.19Å; I320-L345 HydrophobicContact CG2-CD2 4.14Å; R321-L345 WeakPolarHBondContact CD-O 3.5Å; R321-L345 PolarHBondContact NH1-O 2.86Å; I332-L345 HydrophobicContact CD1-CB 4.4Å; I332-L345 HydrophobicContact CG2-CB 3.87Å; I332-L345 HydrophobicContact CG2-CD1 4.16Å; L337-L345 HydrophobicContact CD1-CD1 3.96Å; I341-L345 HydrophobicContact CG2-CD1 4.12Å; I341-L345 HydrophobicContact CG2-CG 4.29Å; I341-L345 WeakPolarHBondContact O-CB 3.44Å; I341-L345 VanDerWaalsContact O-CG 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.28Å; I341-L345 PolarHBondContact O-N 3.07Å; K342-L345 PolarHBondContact O-N 3.02Å; N343-L345 VanDerWaalsContact C-N 3.34Å; N343-L345 PolarHBondContact O-N 2.97Å
346L92Very high91.5Very high23 Ų2380.1 Ų80.112%0.1242%0.423CS..Hα-helixtrans-91.60.4178.9-72.8169.8000113.7I332 K342 N343 F344 R348I332-L346 HydrophobicContact CB-CD1 4.46Å; I332-L346 HydrophobicContact CB-CD2 3.93Å; I332-L346 HydrophobicContact CB-CG 4.1Å; I332-L346 HydrophobicContact CD1-CD2 3.95Å; I332-L346 HydrophobicContact CD1-CG 4.48Å; I332-L346 HydrophobicContact CG1-CD2 4.49Å; I332-L346 HydrophobicContact CG2-CD1 4.16Å; I332-L346 HydrophobicContact CG2-CD2 4.19Å; I332-L346 HydrophobicContact CG2-CG 3.79Å; K342-L346 WeakPolarHBondContact O-CB 3.47Å; K342-L346 WeakPolarHBondContact O-CG 3.4Å; K342-L346 PolarHBondContact O-N 3.49Å; N343-L346 CarbonylContact O-C 3.59Å; N343-L346 PolarHBondContact O-N 3.34Å; N343-L346 VanDerWaalsContact O-N 3.1Å; F344-L346 VanDerWaalsContact C-N 3.3Å; F344-L346 PolarHBondContact O-N 3.13Å; L346-R348 HydrophobicContact CB-CG 3.93Å; L346-R348 PolarHBondContact O-N 3.34Å
347H91.2Very high91.2Very high35 Ų3575.9 Ų75.916%0.16239%0.389CS..THydrogen-bonded Turntrans55.337.4-171.7-55.4-103.8000112.7L226 D271 H272 R317 R321 N343 F344L226-H347 HydrophobicContact CD2-CB 3.79Å; D271-H347 PolarHBondContact O-CE1 3Å; D271-H347 VanDerWaalsContact O-CE1 3.3Å; D271-H347 IonicContact OD2-CE1 3Å; D271-H347 PolarHBondContact OD2-CE1 3.45Å; D271-H347 VanDerWaalsContact OD2-CE1 3.28Å; D271-H347 IonicContact OD2-CG 3.84Å; D271-H347 IonicContact OD2-ND1 3.82Å; D271-H347 PolarHBondContact OD2-ND1 3.47Å; H272-H347 AromaticContact CD2-CE1 3.78Å; H272-H347 AromaticContact CE1-CD2 3.72Å; H272-H347 AromaticContact CE1-CE1 3.72Å; H272-H347 AromaticContact CE1-NE2 3.57Å; H272-H347 AromaticContact ND1-NE2 3.84Å; H272-H347 AromaticContact NE2-CE1 3.6Å; H272-H347 AromaticContact NE2-CG 3.87Å; H272-H347 AromaticContact NE2-ND1 3.61Å; H272-H347 AromaticContact NE2-NE2 3.91Å; R317-H347 PolarHBondContact NE-CE1 2.93Å; R317-H347 PolarHBondContact NH1-ND1 3.16Å; R321-H347 WeakPolarHBondContact CD-NE2 3.43Å; R321-H347 PolarHBondContact NE-NE2 3.29Å; N343-H347 PolarHBondContact O-N 3.17Å; F344-H347 PolarHBondContact O-N 2.99Å
348R87.3Confident91Very high148 Ų14876.9 Ų76.956%0.55839%0.393SS*.  trans-100.9134.8171.9-61.9176.7-178.8-178.4-2.1108.1N343 L346N343-R348 CarbonylContact C-O 3.39Å; N343-R348 HydrophobicContact CB-CB 4.07Å; N343-R348 WeakPolarHBondContact CB-O 3.44Å; N343-R348 PolarHBondContact O-N 3.39Å; L346-R348 HydrophobicContact CB-CG 3.93Å; L346-R348 PolarHBondContact O-N 3.34Å
349N65.9Low90.5Very high229 Ų22977 Ų77100%1.22538%0.384SS*.  trans-800174.8-74-17000111.3

Retrieved 349 of 349 residues in 282.8 ms (Link to these results)