A0A077Z4E6_TRITR Loading...

Serine/threonine-protein phosphatase

Involved in pre-mRNA splicing as component of the spliceosome. Required for the assembly of the U4/U5/U6 tri-snRNP complex, one of the building blocks of the spliceosome. Probable phosphatase which plays a redundant role with gsp-4 in spermatogenesis by regulating sister chromatid segregation during meiosis. In addition, involved in sperm motility by controlling the dynamic disassembly of major sperm proteins (MSP) in the spermatozoan pseudopodium.

AlphaFold DB , UniProt , Accession A0A077Z4E6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,128 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
1M25.9Very low30.4Very low116 Ų11698.2 Ų98.257%0.57163%0.629SS**  090.80-81.7177.6-17500108.6V780 T781 F782M1-V780 HydrophobicContact CE-CG1 3.62Å; M1-V780 HydrophobicContact CG-CG1 4.05Å; M1-T781 WeakPolarHBondContact CE-O 3.35Å; M1-F782 HydrophobicContact CB-CD1 4.32Å; M1-F782 HydrophobicContact CB-CE1 3.53Å; M1-F782 HydrophobicContact CB-CE2 4.22Å; M1-F782 HydrophobicContact CB-CZ 3.47Å; M1-F782 VanDerWaalsContact CB-CZ 3.47Å; M1-F782 HydrophobicContact CE-CB 3.76Å; M1-F782 HydrophobicContact CE-CD1 3.79Å; M1-F782 HydrophobicContact CE-CD2 3.59Å; M1-F782 HydrophobicContact CE-CE1 4.3Å; M1-F782 HydrophobicContact CE-CE2 4.14Å; M1-F782 HydrophobicContact CE-CG 3.38Å; M1-F782 HydrophobicContact CE-CZ 4.47Å; M1-F782 HydrophobicContact CG-CD1 3.81Å; M1-F782 HydrophobicContact CG-CD2 3.94Å; M1-F782 HydrophobicContact CG-CE1 3.42Å; M1-F782 VanDerWaalsContact CG-CE1 3.42Å; M1-F782 HydrophobicContact CG-CE2 3.57Å; M1-F782 HydrophobicContact CG-CG 4.05Å; M1-F782 HydrophobicContact CG-CZ 3.29Å; M1-F782 HydrophobicContact SD-CB 4.16Å; M1-F782 HydrophobicContact SD-CD1 3.11Å; M1-F782 WeakPolarHBondContact SD-CD1 3.4Å; M1-F782 HydrophobicContact SD-CD2 3.9Å; M1-F782 HydrophobicContact SD-CE1 3.32Å; M1-F782 WeakPolarHBondContact SD-CE1 3.39Å; M1-F782 HydrophobicContact SD-CE2 4.08Å; M1-F782 HydrophobicContact SD-CG 3.42Å; M1-F782 WeakPolarHBondContact SD-CG 3.46Å; M1-F782 HydrophobicContact SD-CZ 3.82Å
2F27.6Very low30.3Very low101 Ų101104.3 Ų104.344%0.44364%0.643SS.*  trans-105131.9169.7-74.7-85000106.6A4 V20 I22F2-A4 PolarHBondContact O-N 3.5Å; F2-V20 WeakPolarHBondContact CD1-O 3.09Å; F2-V20 WeakPolarHBondContact CE1-O 3.39Å; F2-I22 HydrophobicContact CE1-CB 4.41Å; F2-I22 HydrophobicContact CE1-CD1 3.39Å; F2-I22 HydrophobicContact CE1-CG1 3.58Å; F2-I22 HydrophobicContact CZ-CB 3.98Å; F2-I22 HydrophobicContact CZ-CD1 3.44Å; F2-I22 VanDerWaalsContact CZ-CD1 3.44Å; F2-I22 HydrophobicContact CZ-CG1 3.63Å
3P32Very low30.5Very low79 Ų79102.5 Ų102.551%0.51365%0.645SS.*  trans-73.4109.1168.828.8-27.2000107.6C5P3-C5 PolarHBondContact O-N 3.15Å
4A31.7Very low31.3Very low92 Ų92106 Ų10676%0.7665%0.65SS**  trans-68.9106.816100000106.7F2 K6F2-A4 PolarHBondContact O-N 3.5Å; A4-K6 PolarHBondContact O-N 2.62Å
5C32.9Very low32.2Very low39 Ų39103.1 Ų103.126%0.26464%0.636SS.*  trans-88.7100-177.9-128.60000108.8P3 Y7 F18P3-C5 PolarHBondContact O-N 3.15Å; C5-Y7 HydrophobicContact CB-CD2 4.38Å; C5-Y7 HydrophobicContact CB-CE2 4.23Å; C5-Y7 PolarHBondContact O-N 2.95Å; C5-F18 HydrophobicContact CB-CZ 4.38Å
6K34.4Very low33.2Very low162 Ų16298.4 Ų98.470%0.70461%0.605SS**  trans-78.6108.7165.1-77.7-174.9175.3-177.40108.6A4A4-K6 PolarHBondContact O-N 2.62Å
7Y37Very low34.3Very low126 Ų12696.1 Ų96.149%0.49458%0.583SS.*  trans-90.7112.1163.5-86.6-87.6000109C5 N302 H303C5-Y7 HydrophobicContact CB-CD2 4.38Å; C5-Y7 HydrophobicContact CB-CE2 4.23Å; C5-Y7 PolarHBondContact O-N 2.95Å; Y7-N302 VanDerWaalsContact CZ-O 3.23Å; Y7-N302 PolarHBondContact OH-O 3.33Å; Y7-H303 HydrophobicContact CE2-CB 3.9Å
8S28Very low35.3Very low122 Ų12293.2 Ų93.285%0.85356%0.561SS**  trans-106.3105172.159.10000108.9
9G28.7Very low36.2Very low74 Ų7492.5 Ų92.576%0.76355%0.55SS**  trans-160.3109.2174.500000112.2
10G28.5Very low36.8Very low79 Ų7988.5 Ų88.581%0.81453%0.526SS*.SBendtrans92.4136.2162.900000115.3
11A27.5Very low37.5Very low90 Ų9087 Ų8774%0.74451%0.514SS*.SBendtrans-62.8144.9-176.900000112.9
12H29.2Very low38.4Very low171 Ų17183.9 Ų83.979%0.79250%0.499SS*.  trans103.5125.6173.8-59.4-73.4000116.5R210H12-R210 PolarHBondContact O-NH2 2.91Å
13A33.6Very low39.2Very low81 Ų8180.5 Ų80.567%0.66949%0.489SS*.SBendtrans87.2145.316200000119S15A13-S15 PolarHBondContact O-N 3.34Å
14E41.4Very low39.6Very low152 Ų15284.4 Ų84.471%0.7150%0.498SS*.  trans-33.2119.4176.8-65.3162.8172.200113.1I16E14-I16 PolarHBondContact O-N 3.46Å; E14-I16 VanDerWaalsContact O-N 3.08Å
15S44.8Very low40.2Very low63 Ų6382.1 Ų82.144%0.44147%0.473SS..  trans-65.9110.4175.247.90000109.4A13 Y17A13-S15 PolarHBondContact O-N 3.34Å; S15-Y17 WeakPolarHBondContact O-CD2 3.34Å
16I48.1Very low40.5Very low28 Ų2886.2 Ų86.214%0.14449%0.493CS..EExtended strand (participates in β ladder)trans-84131.1174.9-64.8157.8000108.7E14 N208 R210 I211E14-I16 PolarHBondContact O-N 3.46Å; E14-I16 VanDerWaalsContact O-N 3.08Å; I16-N208 HydrophobicContact CD1-CB 3.42Å; I16-N208 VanDerWaalsContact CD1-CB 3.42Å; I16-N208 HydrophobicContact CG1-CB 4.13Å; I16-R210 HydrophobicContact CD1-CB 3.36Å; I16-R210 HydrophobicContact CD1-CG 3.44Å; I16-R210 VanDerWaalsContact CD1-CG 3.44Å; I16-I211 HydrophobicContact CG2-CD1 4Å
17Y51.3Low40.4Very low59 Ų5987.1 Ų87.123%0.23150%0.496CS..EExtended strand (participates in β ladder)trans-106.6140.5176.3-72.9-104.3000108.7S15 M328 L330 E333S15-Y17 WeakPolarHBondContact O-CD2 3.34Å; Y17-M328 PolarHBondContact N-O 3Å; Y17-M328 VanDerWaalsContact N-O 3.16Å; Y17-M328 PolarHBondContact O-N 3.15Å; Y17-L330 HydrophobicContact CD2-CB 3.98Å; Y17-L330 HydrophobicContact CD2-CD1 3.83Å; Y17-L330 HydrophobicContact CD2-CG 4.49Å; Y17-L330 HydrophobicContact CE2-CB 3.9Å; Y17-L330 HydrophobicContact CE2-CD1 3.18Å; Y17-L330 HydrophobicContact CE2-CG 4.02Å; Y17-E333 VanDerWaalsContact CB-OE2 3.28Å; Y17-E333 WeakPolarHBondContact CB-OE2 3.23Å; Y17-E333 WeakPolarHBondContact CD1-OE2 3.06Å
18F52.7Low40.3Very low44 Ų4484.2 Ų84.219%0.19349%0.491CS..EExtended strand (participates in β ladder)trans-128.7130.7175.254-89.5000109.6C5 L285 F299 M325 Q326C5-F18 HydrophobicContact CB-CZ 4.38Å; F18-L285 HydrophobicContact CD1-CD2 4.11Å; F18-L285 HydrophobicContact CD2-CD2 4.2Å; F18-L285 HydrophobicContact CE1-CD2 4.2Å; F18-L285 HydrophobicContact CE2-CD2 4.28Å; F18-L285 HydrophobicContact CG-CD2 4.11Å; F18-L285 HydrophobicContact CZ-CD2 4.28Å; F18-F299 HydrophobicContact CE2-CE1 4.24Å; F18-F299 HydrophobicContact CE2-CZ 4.28Å; F18-M325 HydrophobicContact CB-CE 3.92Å; F18-M325 HydrophobicContact CG-CE 4.48Å; F18-Q326 CarbonylContact C-O 3.53Å; F18-Q326 WeakPolarHBondContact CA-O 3.47Å
19K52.4Low40.5Very low80 Ų8084.8 Ų84.835%0.34848%0.479SS..EExtended strand (participates in β ladder)trans-114.4110.3175.9-170.6174.3-179.8177.80107.1Q21 Q326K19-Q21 HydrophobicContact CG-CG 4.32Å; K19-Q21 PolarHBondContact O-N 3.26Å; K19-Q326 PolarHBondContact N-O 3.13Å; K19-Q326 PolarHBondContact O-N 2.91Å
20V48.5Very low40.8Very low11 Ų1185.9 Ų85.97%0.06746%0.464CS..EExtended strand (participates in β ladder)trans-79.6108.2170.6-176.30000107.4F2 Y297 F299 M325F2-V20 WeakPolarHBondContact CD1-O 3.09Å; F2-V20 WeakPolarHBondContact CE1-O 3.39Å; V20-Y297 HydrophobicContact CG1-CD1 4.09Å; V20-Y297 HydrophobicContact CG1-CD2 3.82Å; V20-Y297 HydrophobicContact CG1-CE2 4.37Å; V20-Y297 HydrophobicContact CG1-CG 3.65Å; V20-F299 HydrophobicContact CG2-CZ 3.97Å; V20-M325 HydrophobicContact CG2-CB 4.41Å; V20-M325 HydrophobicContact CG2-CG 4.16Å
21Q50.8Low41.1Very low58 Ų5884.1 Ų84.127%0.27144%0.435SS..EExtended strand (participates in β ladder)trans-88.9124174.1-69-161.7-3.600109.3K19 A23 I324K19-Q21 HydrophobicContact CG-CG 4.32Å; K19-Q21 PolarHBondContact O-N 3.26Å; Q21-A23 PolarHBondContact O-N 3.19Å; Q21-I324 HydrophobicContact CB-CG2 4Å; Q21-I324 PolarHBondContact N-O 3.02Å; Q21-I324 PolarHBondContact O-N 2.85Å; Q21-I324 VanDerWaalsContact O-N 3.12Å
22I44.8Very low41.3Very low51 Ų5183.3 Ų83.326%0.26242%0.417SS..  trans-91102.9168.1-55.2159.7000106.7F2 K24 Y297F2-I22 HydrophobicContact CE1-CB 4.41Å; F2-I22 HydrophobicContact CE1-CD1 3.39Å; F2-I22 HydrophobicContact CE1-CG1 3.58Å; F2-I22 HydrophobicContact CZ-CB 3.98Å; F2-I22 HydrophobicContact CZ-CD1 3.44Å; F2-I22 VanDerWaalsContact CZ-CD1 3.44Å; F2-I22 HydrophobicContact CZ-CG1 3.63Å; I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 HydrophobicContact CG2-CG 4.15Å; I22-K24 PolarHBondContact O-N 3.49Å; I22-Y297 HydrophobicContact CD1-CD1 4.15Å; I22-Y297 HydrophobicContact CD1-CE1 3.28Å; I22-Y297 HydrophobicContact CG1-CD1 3.77Å; I22-Y297 HydrophobicContact CG1-CE1 3.4Å; I22-Y297 VanDerWaalsContact CG1-CE1 3.4Å
23A46.1Very low41.5Very low29 Ų2980.1 Ų80.124%0.2440%0.403CS..  trans-70.595159.400000107Q21 L25Q21-A23 PolarHBondContact O-N 3.19Å; A23-L25 HydrophobicContact CB-CG 4.32Å; A23-L25 PolarHBondContact O-N 3.38Å
24K40.3Very low41.6Very low161 Ų16178.6 Ų78.670%0.738%0.381SS*.  trans-66.885.6161.5-89-170.4175.9-176.50107I22 D26I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 HydrophobicContact CG2-CG 4.15Å; I22-K24 PolarHBondContact O-N 3.49Å; K24-D26 VanDerWaalsContact C-N 3.27Å; K24-D26 PolarHBondContact O-N 3.21Å
25L43.7Very low41.2Very low45 Ų4574.6 Ų74.624%0.23637%0.374CS..  trans-67.195.7166.7-67.7170.8000105.8A23 R116 P312 A322A23-L25 HydrophobicContact CB-CG 4.32Å; A23-L25 PolarHBondContact O-N 3.38Å; L25-R116 HydrophobicContact CD1-CB 4.47Å; L25-R116 HydrophobicContact CD2-CB 3.85Å; L25-P312 HydrophobicContact CD1-CB 4.5Å; L25-P312 HydrophobicContact CD1-CG 3.88Å; L25-A322 HydrophobicContact CD1-CB 4.21Å
26D37.9Very low40.7Very low125 Ų12574.7 Ų74.767%0.66838%0.375SS*.  trans-50.9145.9-175.2-88.2-31000111.2K24 V28K24-D26 VanDerWaalsContact C-N 3.27Å; K24-D26 PolarHBondContact O-N 3.21Å; D26-V28 HydrophobicContact CB-CG2 4.25Å; D26-V28 PolarHBondContact O-N 3.02Å
27K34.2Very low40.3Very low181 Ų18177 Ų7779%0.78738%0.384SS*.  trans-57.483.5170.8-75-175.6175.4-177.80109.9
28V33.8Very low39.6Very low64 Ų6477.6 Ų77.639%0.38839%0.394SS..  trans-122.8115171.2-175.70000106.5D26 Q30D26-V28 HydrophobicContact CB-CG2 4.25Å; D26-V28 PolarHBondContact O-N 3.02Å; V28-Q30 PolarHBondContact O-N 3.2Å
29K31.9Very low38.9Very low134 Ų13481.9 Ų81.958%0.58341%0.414SS*.  trans-28.5124.2172.4-66.4179.7176-177.10109.3Q31 N32K29-Q31 PolarHBondContact O-N 2.85Å; K29-N32 PolarHBondContact O-N 3.06Å
30Q34.6Very low38.3Very low97 Ų9784 Ų8445%0.45343%0.425SS..THydrogen-bonded Turntrans-50.515.1179.4-86.5168.6-17.400115.9V28 N316V28-Q30 PolarHBondContact O-N 3.2Å; Q30-N316 PolarHBondContact NE2-OD1 3.23Å
31Q34.7Very low38Very low43 Ų4385.7 Ų85.720%0.20144%0.438CS..THydrogen-bonded Turntrans-129.8-6.1-164.1-78.7171.7-14.100114.9K29 R925 H926K29-Q31 PolarHBondContact O-N 2.85Å; Q31-R925 VanDerWaalsContact OE1-CD 3.23Å; Q31-H926 VanDerWaalsContact CB-CE1 3.48Å; Q31-H926 WeakPolarHBondContact CB-CE1 3.38Å; Q31-H926 WeakPolarHBondContact CG-CE1 3.32Å; Q31-H926 WeakPolarHBondContact CG-NE2 3.3Å; Q31-H926 PolarHBondContact NE2-CD2 3.36Å; Q31-H926 PolarHBondContact NE2-NE2 3.4Å; Q31-H926 PolarHBondContact OE1-NE2 3.31Å
32N32.8Very low37.6Very low72 Ų7283.4 Ų83.439%0.38543%0.428SS..SBendtrans-117.55.8-171.2-81.2-27.6000117.2K29K29-N32 PolarHBondContact O-N 3.06Å
33H33.4Very low37.6Very low105 Ų10584.9 Ų84.949%0.48644%0.436SS..  trans-100.23.2-178.7-108.1-54.6000116.1A35 S36H33-A35 PolarHBondContact O-N 3.26Å; H33-S36 PolarHBondContact O-N 3.19Å; H33-S36 PolarHBondContact O-OG 2.79Å
34F35.1Very low37.7Very low48 Ų4892 Ų9221%0.21146%0.457CS..THydrogen-bonded Turntrans-62.4-12.1174.2-89.2-85.7000114.2S36 H69 Y112 H854F34-S36 PolarHBondContact O-N 3.03Å; F34-H69 AromaticContact CE1-NE2 3.7Å; F34-Y112 HydrophobicContact CE2-CE1 4.24Å; F34-Y112 AromaticContact CZ-CE1 3.75Å; F34-Y112 HydrophobicContact CZ-CE1 3.75Å; F34-H854 HydrophobicContact CB-CB 3.99Å; F34-H854 WeakPolarHBondContact CB-O 3.27Å; F34-H854 HydrophobicContact CD1-CB 3.56Å; F34-H854 HydrophobicContact CD2-CB 3.82Å; F34-H854 HydrophobicContact CE1-CB 3.92Å; F34-H854 HydrophobicContact CE2-CB 4.16Å; F34-H854 HydrophobicContact CG-CB 3.51Å; F34-H854 HydrophobicContact CZ-CB 4.2Å; F34-H854 AromaticContact CZ-CD2 4Å
35A33.3Very low38.1Very low68 Ų6887.7 Ų87.756%0.56244%0.438SS*.THydrogen-bonded Turntrans-80.4-6.9-178.600000115.1H33H33-A35 PolarHBondContact O-N 3.26Å
36S35Very low38.2Very low66 Ų6687.5 Ų87.546%0.46244%0.437SS..SBendtrans-102.4-14.8-177.452.40000115.6H33 F34 T38H33-S36 PolarHBondContact O-N 3.19Å; H33-S36 PolarHBondContact O-OG 2.79Å; F34-S36 PolarHBondContact O-N 3.03Å; S36-T38 VanDerWaalsContact C-N 3.29Å; S36-T38 PolarHBondContact O-N 3.25Å; S36-T38 VanDerWaalsContact O-N 3.07Å
37F38.3Very low38.6Very low77 Ų7786.4 Ų86.434%0.33844%0.439SS..  trans-84.475.7169.8-86.1-92.5000109.6V42 W123F37-V42 HydrophobicContact CD1-CG2 3.96Å; F37-W123 HydrophobicContact CZ-CH2 4.38Å; F37-W123 AromaticContact CZ-CZ2 3.99Å; F37-W123 HydrophobicContact CZ-CZ2 3.99Å
38T37.3Very low39.3Very low70 Ų7081.7 Ų81.743%0.42943%0.429SS..  trans-66.7147.2166.960.40000109.3S36 E40 S41 V42S36-T38 VanDerWaalsContact C-N 3.29Å; S36-T38 PolarHBondContact O-N 3.25Å; S36-T38 VanDerWaalsContact O-N 3.07Å; T38-E40 PolarHBondContact O-N 3.23Å; T38-S41 WeakPolarHBondContact O-CB 3.45Å; T38-S41 PolarHBondContact O-N 3.03Å; T38-S41 PolarHBondContact OG1-N 3.41Å; T38-S41 PolarHBondContact OG1-OG 3.44Å; T38-V42 PolarHBondContact O-N 2.95Å
39Q38.5Very low40Very low134 Ų13480.9 Ų80.963%0.62642%0.422SS*.Hα-helixtrans-53.6-28.5175.1-159.6159.29.200112N43 Y68Q39-N43 VanDerWaalsContact O-CB 3.31Å; Q39-N43 WeakPolarHBondContact O-CB 3.43Å; Q39-N43 PolarHBondContact O-N 3.24Å; Q39-N43 PolarHBondContact O-ND2 2.92Å; Q39-Y68 HydrophobicContact CG-CE1 4.44Å
40E40.2Very low40.5Very low124 Ų12480.2 Ų80.258%0.57943%0.434SS*.Hα-helixtrans-65.9-39.6171.5-71.5-176.1-17700113.9T38 V42 N43 R44T38-E40 PolarHBondContact O-N 3.23Å; E40-V42 VanDerWaalsContact C-N 3.35Å; E40-N43 PolarHBondContact O-N 3.34Å; E40-R44 WeakPolarHBondContact O-CB 3.44Å; E40-R44 WeakPolarHBondContact O-CG 3.43Å; E40-R44 PolarHBondContact O-N 3.29Å; E40-R44 IonicContact OE2-NH2 3.69Å
41S41Very low41.2Very low47 Ų4778.6 Ų78.633%0.32943%0.434SS..Hα-helixtrans-66.5-37.9176.9-67.70000111.7T38 K45T38-S41 WeakPolarHBondContact O-CB 3.45Å; T38-S41 PolarHBondContact O-N 3.03Å; T38-S41 PolarHBondContact OG1-N 3.41Å; T38-S41 PolarHBondContact OG1-OG 3.44Å; S41-K45 WeakPolarHBondContact O-CG 3.4Å; S41-K45 PolarHBondContact O-N 3.22Å
42V41.9Very low42.2Very low10 Ų1082.4 Ų82.46%0.06147%0.465CS..Hα-helixtrans-68.4-47.8175-179.60000110.1F37 T38 E40 R44 K45 M46 F67 Y68F37-V42 HydrophobicContact CD1-CG2 3.96Å; T38-V42 PolarHBondContact O-N 2.95Å; E40-V42 VanDerWaalsContact C-N 3.35Å; V42-R44 PolarHBondContact O-N 3.31Å; V42-K45 PolarHBondContact O-N 2.99Å; V42-K45 VanDerWaalsContact O-N 3.13Å; V42-M46 HydrophobicContact CG1-CG 4.32Å; V42-M46 VanDerWaalsContact O-CG 3.3Å; V42-M46 WeakPolarHBondContact O-CG 3.46Å; V42-M46 PolarHBondContact O-N 3.42Å; V42-F67 HydrophobicContact CG1-CB 4.41Å; V42-Y68 HydrophobicContact CG1-CE2 4.21Å
43N45Very low43.9Very low82 Ų8286.5 Ų86.544%0.43948%0.475SS..Hα-helixtrans-63.3-36.5179.7-71.3-11.6000113.3Q39 E40 M46 S47 Y68Q39-N43 VanDerWaalsContact O-CB 3.31Å; Q39-N43 WeakPolarHBondContact O-CB 3.43Å; Q39-N43 PolarHBondContact O-N 3.24Å; Q39-N43 PolarHBondContact O-ND2 2.92Å; E40-N43 PolarHBondContact O-N 3.34Å; N43-M46 PolarHBondContact O-N 2.98Å; N43-S47 PolarHBondContact O-N 3.47Å; N43-S47 VanDerWaalsContact O-N 3.09Å; N43-Y68 PolarHBondContact OD1-OH 3.49Å
44R48.6Very low45.9Very low179 Ų17989.9 Ų89.968%0.67549%0.488SS*.Hα-helixtrans-68.7-32.4174.3-75.3-176.5-150.4-178.29.1113E40 V42 S47E40-R44 WeakPolarHBondContact O-CB 3.44Å; E40-R44 WeakPolarHBondContact O-CG 3.43Å; E40-R44 PolarHBondContact O-N 3.29Å; E40-R44 IonicContact OE2-NH2 3.69Å; V42-R44 PolarHBondContact O-N 3.31Å; R44-S47 PolarHBondContact O-OG 3.33Å
45K48.6Very low48Very low70 Ų7090.8 Ų90.830%0.30449%0.493SS..Hα-helixtrans-74.3-30.4174.4-73177.2179.8-178.30111.3S41 V42 S48 D119S41-K45 WeakPolarHBondContact O-CG 3.4Å; S41-K45 PolarHBondContact O-N 3.22Å; V42-K45 PolarHBondContact O-N 2.99Å; V42-K45 VanDerWaalsContact O-N 3.13Å; K45-S48 PolarHBondContact O-OG 3Å; K45-D119 IonicContact NZ-OD1 3.93Å; K45-D119 PolarHBondContact NZ-OD1 3.46Å
46M45.9Very low50.1Low41 Ų4189.1 Ų89.120%0.20247%0.474CS..Hα-helixtrans-76.4-30.9178-74.4-77.6-74.200114V42 N43 S48 L49 E64V42-M46 HydrophobicContact CG1-CG 4.32Å; V42-M46 VanDerWaalsContact O-CG 3.3Å; V42-M46 WeakPolarHBondContact O-CG 3.46Å; V42-M46 PolarHBondContact O-N 3.42Å; N43-M46 PolarHBondContact O-N 2.98Å; M46-S48 PolarHBondContact O-N 3.06Å; M46-L49 PolarHBondContact O-N 3.46Å; M46-L49 VanDerWaalsContact O-N 3.1Å; M46-E64 HydrophobicContact CE-CB 3.62Å; M46-E64 VanDerWaalsContact CE-CD 3.43Å; M46-E64 HydrophobicContact CE-CG 3.63Å; M46-E64 WeakPolarHBondContact CE-OE2 3.32Å; M46-E64 HydrophobicContact SD-CB 4.19Å; M46-E64 HydrophobicContact SD-CG 4.45Å
47S46.3Very low52Low102 Ų10289.8 Ų89.871%0.71347%0.472SS*.THydrogen-bonded Turntrans-66.7-9.3-175.163.50000115.1N43 R44N43-S47 PolarHBondContact O-N 3.47Å; N43-S47 VanDerWaalsContact O-N 3.09Å; R44-S47 PolarHBondContact O-OG 3.33Å
48S48.9Very low54.3Low82 Ų8288.1 Ų88.157%0.57347%0.465SS*.THydrogen-bonded Turntrans-90.9-3.6175.1570000114.1K45 M46K45-S48 PolarHBondContact O-OG 3Å; M46-S48 PolarHBondContact O-N 3.06Å
49L48.5Very low56.4Low48 Ų4884.8 Ų84.825%0.25145%0.445SS..  trans-98.785.2-178.7-71.2118.6000110.6M46 A60 L155 Y156M46-L49 PolarHBondContact O-N 3.46Å; M46-L49 VanDerWaalsContact O-N 3.1Å; L49-A60 HydrophobicContact CD2-CB 4.04Å; L49-L155 HydrophobicContact CD2-CD1 4.11Å; L49-L155 HydrophobicContact CD2-CD2 4.17Å; L49-Y156 WeakPolarHBondContact CD2-OH 3.42Å
50S42.7Very low58.3Low119 Ų11979 Ų7983%0.83242%0.42SS*.  trans-125.2105.416269.30000108.9
51S50Low60.3Low64 Ų6478.3 Ų78.345%0.44842%0.415SS..  trans-133158.5-177.775.90000111.7E56S51-E56 WeakPolarHBondContact CB-OE2 3.41Å; S51-E56 WeakPolarHBondContact OG-CB 3.48Å; S51-E56 PolarHBondContact OG-OE2 3.42Å
52S54.1Low62.5Low123 Ų12376.1 Ų76.186%0.8640%0.4SS*.SBendtrans-91.8-7.9-160.3630000114.9
53R69.8Low64.4Low157 Ų15776 Ų7659%0.59240%0.398SS*.  trans-100.8144.6-175.5-64.4-173.7178-174.70.7111.9E55 E56 D57R53-E55 VanDerWaalsContact C-N 3.31Å; R53-E55 WeakPolarHBondContact CB-OE2 3.22Å; R53-E55 PolarHBondContact O-N 3.25Å; R53-E56 HydrophobicContact CB-CB 4.44Å; R53-E56 HydrophobicContact CB-CG 4.08Å; R53-E56 PolarHBondContact O-N 3.04Å; R53-D57 PolarHBondContact O-N 2.76Å
54K75.8Confident65.9Low177 Ų17775.5 Ų75.577%0.7739%0.393SS*.Hα-helixtrans-66.2-34.4-177.9-73.9-177179.2177.20112.1E56 F58K54-E56 VanDerWaalsContact C-N 3.35Å; K54-F58 WeakPolarHBondContact O-CB 3.43Å; K54-F58 PolarHBondContact O-N 3.47Å
55E78.1Confident67.7Low67 Ų6769.4 Ų69.431%0.31337%0.372SS..Hα-helixtrans-66.3-39.9179.2-53.186-173.800110.9R53 F58 A59 Y83 V154R53-E55 VanDerWaalsContact C-N 3.31Å; R53-E55 WeakPolarHBondContact CB-OE2 3.22Å; R53-E55 PolarHBondContact O-N 3.25Å; E55-F58 PolarHBondContact O-N 3.21Å; E55-A59 WeakPolarHBondContact O-CB 3.33Å; E55-A59 PolarHBondContact O-N 3.38Å; E55-Y83 HydrophobicContact CB-CD1 4.2Å; E55-Y83 HydrophobicContact CB-CD2 3.99Å; E55-Y83 HydrophobicContact CB-CE1 4.36Å; E55-Y83 HydrophobicContact CB-CE2 4.15Å; E55-Y83 HydrophobicContact CB-CG 4.02Å; E55-Y83 HydrophobicContact CG-CD1 3.45Å; E55-Y83 VanDerWaalsContact CG-CD1 3.45Å; E55-Y83 HydrophobicContact CG-CD2 4.1Å; E55-Y83 HydrophobicContact CG-CE1 3.44Å; E55-Y83 VanDerWaalsContact CG-CE1 3.44Å; E55-Y83 HydrophobicContact CG-CE2 4.08Å; E55-Y83 HydrophobicContact CG-CG 3.81Å; E55-V154 HydrophobicContact CB-CG1 4.22Å
56E77.5Confident69.3Low33 Ų3366.4 Ų66.415%0.15436%0.359CS..Hα-helixtrans-70.3-42.5-179.3-64.2166.4-176.900112.3S51 R53 K54 F58 A59 A60 L155S51-E56 WeakPolarHBondContact CB-OE2 3.41Å; S51-E56 WeakPolarHBondContact OG-CB 3.48Å; S51-E56 PolarHBondContact OG-OE2 3.42Å; R53-E56 HydrophobicContact CB-CB 4.44Å; R53-E56 HydrophobicContact CB-CG 4.08Å; R53-E56 PolarHBondContact O-N 3.04Å; K54-E56 VanDerWaalsContact C-N 3.35Å; E56-F58 VanDerWaalsContact C-N 3.3Å; E56-F58 PolarHBondContact O-N 3.03Å; E56-A59 PolarHBondContact O-N 3.13Å; E56-A60 WeakPolarHBondContact O-CB 3.25Å; E56-A60 PolarHBondContact O-N 3.35Å; E56-L155 HydrophobicContact CB-CD2 4.12Å; E56-L155 VanDerWaalsContact O-CD2 3.29Å; E56-L155 WeakPolarHBondContact O-CD2 3.33Å
57D75.8Confident70.8Confident79 Ų7966 Ų6642%0.42236%0.356SS..Hα-helixtrans-62-39.1174.3177.445.9000111.5R53 K61R53-D57 PolarHBondContact O-N 2.76Å; D57-K61 VanDerWaalsContact CG-NZ 3.32Å; D57-K61 WeakPolarHBondContact O-CG 3.37Å; D57-K61 PolarHBondContact O-N 2.75Å; D57-K61 VanDerWaalsContact O-N 3.15Å; D57-K61 VanDerWaalsContact OD1-CE 3.28Å; D57-K61 WeakPolarHBondContact OD1-CE 3.36Å; D57-K61 IonicContact OD1-NZ 3.84Å; D57-K61 PolarHBondContact OD1-NZ 3.45Å; D57-K61 IonicContact OD2-NZ 2.81Å; D57-K61 PolarHBondContact OD2-NZ 3.48Å
58F85.6Confident72Confident42 Ų4264.7 Ų64.718%0.18434%0.336CS..Hα-helixtrans-64.2-47.1173.9176.6-98.8000111.9K54 E55 E56 A60 K61 L62 E76 K79 T80 Y83K54-F58 WeakPolarHBondContact O-CB 3.43Å; K54-F58 PolarHBondContact O-N 3.47Å; E55-F58 PolarHBondContact O-N 3.21Å; E56-F58 VanDerWaalsContact C-N 3.3Å; E56-F58 PolarHBondContact O-N 3.03Å; F58-A60 PolarHBondContact O-N 3.06Å; F58-K61 PolarHBondContact O-N 3.37Å; F58-L62 PolarHBondContact O-N 2.96Å; F58-E76 HydrophobicContact CE2-CB 4.42Å; F58-E76 HydrophobicContact CE2-CG 4.37Å; F58-E76 HydrophobicContact CZ-CB 3.88Å; F58-E76 HydrophobicContact CZ-CG 4.31Å; F58-E76 WeakPolarHBondContact CZ-O 3.18Å; F58-K79 HydrophobicContact CE1-CB 3.86Å; F58-K79 HydrophobicContact CE2-CD 4.47Å; F58-K79 HydrophobicContact CZ-CB 3.9Å; F58-K79 HydrophobicContact CZ-CD 4.36Å; F58-T80 WeakPolarHBondContact CE1-OG1 3.43Å; F58-Y83 HydrophobicContact CD1-CD2 4.19Å; F58-Y83 AromaticContact CD1-CE2 3.91Å; F58-Y83 HydrophobicContact CD1-CE2 3.91Å; F58-Y83 HydrophobicContact CE1-CE2 4.49Å; F58-Y83 HydrophobicContact CG-CE2 4.42Å
59A81.6Confident73.2Confident1 Ų165.6 Ų65.61%0.00833%0.331CS..Hα-helixtrans-62.8-40.2178.300000112.3E55 E56 L62 L63 V151 V154 L155E55-A59 WeakPolarHBondContact O-CB 3.33Å; E55-A59 PolarHBondContact O-N 3.38Å; E56-A59 PolarHBondContact O-N 3.13Å; A59-L62 PolarHBondContact O-N 2.83Å; A59-L63 PolarHBondContact O-N 2.9Å; A59-V151 HydrophobicContact CB-CG1 4.17Å; A59-V151 VanDerWaalsContact O-CG1 3.3Å; A59-V151 WeakPolarHBondContact O-CG1 3.49Å; A59-V154 HydrophobicContact CB-CB 4.24Å; A59-V154 HydrophobicContact CB-CG1 3.85Å; A59-L155 HydrophobicContact CB-CD1 4.48Å; A59-L155 HydrophobicContact CB-CD2 3.87Å; A59-L155 HydrophobicContact CB-CG 3.82Å
60A78Confident74.5Confident13 Ų1367.5 Ų67.511%0.10734%0.34CS..Hα-helixtrans-63.2-43.1176.700000112.4L49 E56 F58 L62 L63 E64 L155L49-A60 HydrophobicContact CD2-CB 4.04Å; E56-A60 WeakPolarHBondContact O-CB 3.25Å; E56-A60 PolarHBondContact O-N 3.35Å; F58-A60 PolarHBondContact O-N 3.06Å; A60-L62 VanDerWaalsContact C-N 3.29Å; A60-L62 PolarHBondContact O-N 3.26Å; A60-L63 WeakPolarHBondContact O-CB 3.44Å; A60-L63 PolarHBondContact O-N 2.97Å; A60-E64 PolarHBondContact O-N 2.87Å; A60-L155 HydrophobicContact CB-CD2 4.25Å
61K82.7Confident76.2Confident108 Ų10865.9 Ų65.947%0.4732%0.319SS..Hα-helixtrans-63.6-35.8173.8-74.3167-179.5159.10112.3D57 F58 E64 K65D57-K61 VanDerWaalsContact CG-NZ 3.32Å; D57-K61 WeakPolarHBondContact O-CG 3.37Å; D57-K61 PolarHBondContact O-N 2.75Å; D57-K61 VanDerWaalsContact O-N 3.15Å; D57-K61 VanDerWaalsContact OD1-CE 3.28Å; D57-K61 WeakPolarHBondContact OD1-CE 3.36Å; D57-K61 IonicContact OD1-NZ 3.84Å; D57-K61 PolarHBondContact OD1-NZ 3.45Å; D57-K61 IonicContact OD2-NZ 2.81Å; D57-K61 PolarHBondContact OD2-NZ 3.48Å; F58-K61 PolarHBondContact O-N 3.37Å; K61-E64 WeakPolarHBondContact O-CB 3.46Å; K61-E64 PolarHBondContact O-N 3.16Å; K61-K65 PolarHBondContact O-N 2.8Å
62L86Confident77.8Confident2 Ų263.4 Ų63.41%0.0130%0.3CS..Hα-helixtrans-69.5-41.2177.3-169.160.7000111.6F58 A59 A60 E64 K65 M66 I72 E76 T80 L147 V151F58-L62 PolarHBondContact O-N 2.96Å; A59-L62 PolarHBondContact O-N 2.83Å; A60-L62 VanDerWaalsContact C-N 3.29Å; A60-L62 PolarHBondContact O-N 3.26Å; L62-E64 VanDerWaalsContact C-N 3.26Å; L62-E64 PolarHBondContact O-N 3.15Å; L62-K65 HydrophobicContact CD1-CD 4.36Å; L62-K65 WeakPolarHBondContact O-CB 3.42Å; L62-K65 PolarHBondContact O-N 3.2Å; L62-K65 VanDerWaalsContact O-N 3.13Å; L62-M66 WeakPolarHBondContact O-CG 3.25Å; L62-M66 PolarHBondContact O-N 3.05Å; L62-I72 HydrophobicContact CD1-CB 4.22Å; L62-I72 HydrophobicContact CD1-CD1 3.8Å; L62-I72 HydrophobicContact CD1-CG1 3.74Å; L62-I72 HydrophobicContact CD1-CG2 3.51Å; L62-I72 HydrophobicContact CG-CD1 4.38Å; L62-E76 HydrophobicContact CD1-CB 4.36Å; L62-T80 HydrophobicContact CD2-CG2 4.18Å; L62-T80 WeakPolarHBondContact CD2-OG1 3.29Å; L62-L147 HydrophobicContact CD2-CD1 4.08Å; L62-L147 HydrophobicContact CD2-CD2 4.38Å; L62-L147 HydrophobicContact CD2-CG 4.37Å; L62-V151 HydrophobicContact CB-CG2 4.38Å; L62-V151 HydrophobicContact CD2-CG2 3.82Å; L62-V151 HydrophobicContact CG-CG2 4.22Å
63L83.4Confident79.5Confident6 Ų661.5 Ų61.53%0.03128%0.28CS..Hα-helixtrans-58.5-40.5172.9-16270.5000111.3A59 A60 M66 F67 M148 V151 Y152 L155A59-L63 PolarHBondContact O-N 2.9Å; A60-L63 WeakPolarHBondContact O-CB 3.44Å; A60-L63 PolarHBondContact O-N 2.97Å; L63-M66 WeakPolarHBondContact O-CB 3.43Å; L63-M66 PolarHBondContact O-N 3.36Å; L63-F67 HydrophobicContact CD1-CE2 4.24Å; L63-F67 HydrophobicContact CD1-CZ 4.18Å; L63-F67 HydrophobicContact CD2-CE2 3.71Å; L63-F67 HydrophobicContact CD2-CZ 4.15Å; L63-F67 HydrophobicContact CG-CD2 4.14Å; L63-F67 HydrophobicContact CG-CE2 3.49Å; L63-F67 VanDerWaalsContact CG-CE2 3.49Å; L63-F67 HydrophobicContact CG-CZ 3.94Å; L63-F67 VanDerWaalsContact O-CD2 3.24Å; L63-F67 WeakPolarHBondContact O-CD2 3.22Å; L63-F67 PolarHBondContact O-N 3.36Å; L63-M148 HydrophobicContact CD1-CG 4.27Å; L63-V151 HydrophobicContact CB-CG1 3.88Å; L63-V151 HydrophobicContact CD1-CG1 3.83Å; L63-V151 HydrophobicContact CG-CG1 4.34Å; L63-Y152 HydrophobicContact CD1-CE1 4.37Å; L63-Y152 HydrophobicContact CD1-CE2 3.99Å; L63-Y152 HydrophobicContact CD2-CE1 3.84Å; L63-L155 HydrophobicContact CD2-CD1 4.34Å
64E76.9Confident80.5Confident72 Ų7256.6 Ų56.634%0.33626%0.264SS..Hα-helixtrans-58.6-48.8173.4-170.8178.6-172.600111.6M46 A60 K61 L62 M66 F67 Y68M46-E64 HydrophobicContact CE-CB 3.62Å; M46-E64 VanDerWaalsContact CE-CD 3.43Å; M46-E64 HydrophobicContact CE-CG 3.63Å; M46-E64 WeakPolarHBondContact CE-OE2 3.32Å; M46-E64 HydrophobicContact SD-CB 4.19Å; M46-E64 HydrophobicContact SD-CG 4.45Å; A60-E64 PolarHBondContact O-N 2.87Å; K61-E64 WeakPolarHBondContact O-CB 3.46Å; K61-E64 PolarHBondContact O-N 3.16Å; L62-E64 VanDerWaalsContact C-N 3.26Å; L62-E64 PolarHBondContact O-N 3.15Å; E64-M66 VanDerWaalsContact C-N 3.28Å; E64-M66 PolarHBondContact O-N 3.33Å; E64-F67 PolarHBondContact O-N 3.32Å; E64-Y68 HydrophobicContact CG-CD2 3.61Å; E64-Y68 HydrophobicContact CG-CE2 3.48Å; E64-Y68 VanDerWaalsContact CG-CE2 3.48Å; E64-Y68 WeakPolarHBondContact O-CD2 3.41Å; E64-Y68 PolarHBondContact O-N 3Å
65K84.5Confident81.3Confident51 Ų5154 Ų5422%0.22226%0.255CS..Hα-helixtrans-56.9-42.2175.1-75.2-177.6166.4-173.50112.1K61 L62 Y68 H69 I70 I72 E76K61-K65 PolarHBondContact O-N 2.8Å; L62-K65 HydrophobicContact CD1-CD 4.36Å; L62-K65 WeakPolarHBondContact O-CB 3.42Å; L62-K65 PolarHBondContact O-N 3.2Å; L62-K65 VanDerWaalsContact O-N 3.13Å; K65-Y68 CarbonylContact O-C 3.4Å; K65-Y68 PolarHBondContact O-N 3.22Å; K65-H69 PolarHBondContact O-N 2.58Å; K65-H69 VanDerWaalsContact O-N 3.08Å; K65-I70 HydrophobicContact CB-CB 4.07Å; K65-I70 HydrophobicContact CD-CG2 4.46Å; K65-I70 HydrophobicContact CG-CB 4.15Å; K65-I70 HydrophobicContact CG-CD1 4.42Å; K65-I70 HydrophobicContact CG-CG2 4.18Å; K65-I70 PolarHBondContact O-N 2.81Å; K65-I72 HydrophobicContact CB-CG1 4.3Å; K65-E76 IonicContact NZ-OE1 2.86Å; K65-E76 PolarHBondContact NZ-OE1 3.21Å; K65-E76 IonicContact NZ-OE2 2.71Å; K65-E76 PolarHBondContact NZ-OE2 3.3Å
66M82.8Confident81.9Confident8 Ų852.6 Ų52.64%0.03925%0.248CC..Hα-helixtrans-62.1-44.4177.9-67.9-178.879.500112.3L62 L63 E64 Y68 H69 I72 Y111 E144 L147 M148L62-M66 WeakPolarHBondContact O-CG 3.25Å; L62-M66 PolarHBondContact O-N 3.05Å; L63-M66 WeakPolarHBondContact O-CB 3.43Å; L63-M66 PolarHBondContact O-N 3.36Å; E64-M66 VanDerWaalsContact C-N 3.28Å; E64-M66 PolarHBondContact O-N 3.33Å; M66-Y68 VanDerWaalsContact C-N 3.35Å; M66-Y68 PolarHBondContact O-N 3.07Å; M66-H69 PolarHBondContact O-N 2.63Å; M66-I72 HydrophobicContact CG-CD1 3.45Å; M66-I72 VanDerWaalsContact CG-CD1 3.45Å; M66-I72 HydrophobicContact SD-CD1 4.35Å; M66-Y111 HydrophobicContact CE-CE2 4.17Å; M66-E144 HydrophobicContact CE-CB 4.28Å; M66-E144 WeakPolarHBondContact CE-O 3.4Å; M66-L147 HydrophobicContact CE-CB 4.13Å; M66-L147 HydrophobicContact CE-CD2 4.46Å; M66-L147 HydrophobicContact CE-CG 4.32Å; M66-L147 HydrophobicContact SD-CD2 4.26Å; M66-L147 HydrophobicContact SD-CG 4.09Å; M66-M148 HydrophobicContact CE-CB 3.65Å; M66-M148 HydrophobicContact SD-CB 4.31Å
67F77.8Confident82.6Confident33 Ų3351 Ų5115%0.14524%0.241CC..Hα-helixtrans-68.2-32.6178.5-68.5-45.4000113.4V42 L63 E64 H69 L115 W123V42-F67 HydrophobicContact CG1-CB 4.41Å; L63-F67 HydrophobicContact CD1-CE2 4.24Å; L63-F67 HydrophobicContact CD1-CZ 4.18Å; L63-F67 HydrophobicContact CD2-CE2 3.71Å; L63-F67 HydrophobicContact CD2-CZ 4.15Å; L63-F67 HydrophobicContact CG-CD2 4.14Å; L63-F67 HydrophobicContact CG-CE2 3.49Å; L63-F67 VanDerWaalsContact CG-CE2 3.49Å; L63-F67 HydrophobicContact CG-CZ 3.94Å; L63-F67 VanDerWaalsContact O-CD2 3.24Å; L63-F67 WeakPolarHBondContact O-CD2 3.22Å; L63-F67 PolarHBondContact O-N 3.36Å; E64-F67 PolarHBondContact O-N 3.32Å; F67-H69 VanDerWaalsContact C-N 3.27Å; F67-L115 HydrophobicContact CE1-CD2 4.03Å; F67-W123 AromaticContact CE1-CH2 3.91Å; F67-W123 HydrophobicContact CE1-CH2 3.91Å; F67-W123 AromaticContact CE1-CZ3 3.72Å; F67-W123 HydrophobicContact CE1-CZ3 3.72Å; F67-W123 HydrophobicContact CZ-CE3 4.33Å; F67-W123 HydrophobicContact CZ-CH2 4.22Å; F67-W123 AromaticContact CZ-CZ3 3.62Å; F67-W123 HydrophobicContact CZ-CZ3 3.62Å
68Y72.1Confident83.4Confident73 Ų7349.8 Ų49.829%0.28623%0.23SC..THydrogen-bonded Turntrans-86.55.1175-69.2-64.1000113.6Q39 V42 N43 E64 K65 M66 I70Q39-Y68 HydrophobicContact CG-CE1 4.44Å; V42-Y68 HydrophobicContact CG1-CE2 4.21Å; N43-Y68 PolarHBondContact OD1-OH 3.49Å; E64-Y68 HydrophobicContact CG-CD2 3.61Å; E64-Y68 HydrophobicContact CG-CE2 3.48Å; E64-Y68 VanDerWaalsContact CG-CE2 3.48Å; E64-Y68 WeakPolarHBondContact O-CD2 3.41Å; E64-Y68 PolarHBondContact O-N 3Å; K65-Y68 CarbonylContact O-C 3.4Å; K65-Y68 PolarHBondContact O-N 3.22Å; M66-Y68 VanDerWaalsContact C-N 3.35Å; M66-Y68 PolarHBondContact O-N 3.07Å; Y68-I70 PolarHBondContact O-N 2.99Å; Y68-I70 VanDerWaalsContact O-N 3.12Å
69H73Confident83.7Confident101 Ų10151.6 Ų51.647%0.46824%0.238SC..THydrogen-bonded Turntrans51.432.5-175.7-58.6-81.5000112.9F34 K65 M66 F67 Y112F34-H69 AromaticContact CE1-NE2 3.7Å; K65-H69 PolarHBondContact O-N 2.58Å; K65-H69 VanDerWaalsContact O-N 3.08Å; M66-H69 PolarHBondContact O-N 2.63Å; F67-H69 VanDerWaalsContact C-N 3.27Å; H69-Y112 AromaticContact CE1-CE1 3.99Å
70I76.3Confident84.2Confident88 Ų8851.6 Ų51.645%0.45124%0.238SC..PPolyproline II helixtrans-75137.9174.5-60.6172.6000107.1K65 Y68 I72K65-I70 HydrophobicContact CB-CB 4.07Å; K65-I70 HydrophobicContact CD-CG2 4.46Å; K65-I70 HydrophobicContact CG-CB 4.15Å; K65-I70 HydrophobicContact CG-CD1 4.42Å; K65-I70 HydrophobicContact CG-CG2 4.18Å; K65-I70 PolarHBondContact O-N 2.81Å; Y68-I70 PolarHBondContact O-N 2.99Å; Y68-I70 VanDerWaalsContact O-N 3.12Å; I70-I72 PolarHBondContact O-N 2.79Å
71K78.1Confident85Confident86 Ų8651 Ų5137%0.37423%0.233SC..PPolyproline II helixtrans-56134173.7-178.6-176.3169.6-179.90109.7G826K71-G826 WeakPolarHBondContact CB-O 3.5Å; K71-G826 WeakPolarHBondContact CD-O 3.37Å
72I84.7Confident85.5Confident12 Ų1249.8 Ų49.86%0.06223%0.232CC..PPolyproline II helixtrans-95.7129.4172.2-62170.8000107.4L62 K65 M66 I70 E76 I77 L147 Y186L62-I72 HydrophobicContact CD1-CB 4.22Å; L62-I72 HydrophobicContact CD1-CD1 3.8Å; L62-I72 HydrophobicContact CD1-CG1 3.74Å; L62-I72 HydrophobicContact CD1-CG2 3.51Å; L62-I72 HydrophobicContact CG-CD1 4.38Å; K65-I72 HydrophobicContact CB-CG1 4.3Å; M66-I72 HydrophobicContact CG-CD1 3.45Å; M66-I72 VanDerWaalsContact CG-CD1 3.45Å; M66-I72 HydrophobicContact SD-CD1 4.35Å; I70-I72 PolarHBondContact O-N 2.79Å; I72-E76 HydrophobicContact CG2-CB 3.98Å; I72-I77 HydrophobicContact CG2-CD1 4.13Å; I72-I77 HydrophobicContact CG2-CG1 3.51Å; I72-L147 HydrophobicContact CD1-CD2 3.47Å; I72-L147 VanDerWaalsContact CD1-CD2 3.47Å; I72-L147 HydrophobicContact CG2-CD2 4.26Å; I72-Y186 VanDerWaalsContact O-CE1 3.29Å; I72-Y186 WeakPolarHBondContact O-CE1 3.47Å; I72-Y186 PolarHBondContact O-OH 2.91Å; I72-Y186 VanDerWaalsContact O-OH 3.14Å
73D89.6Confident85.8Confident83 Ų8352.6 Ų52.644%0.44424%0.243SC..PPolyproline II helixtrans-76.8148178.6-68.8-42.3000110.5E75 E76 I77D73-E75 PolarHBondContact O-N 3.36Å; D73-E76 HydrophobicContact CB-CG 4.17Å; D73-E76 PolarHBondContact N-OE2 3.15Å; D73-E76 WeakPolarHBondContact O-CA 3.25Å; D73-E76 WeakPolarHBondContact O-CB 3.48Å; D73-E76 PolarHBondContact O-N 3.28Å; D73-I77 PolarHBondContact O-N 3.22Å
74E91.1Very high86.3Confident53 Ų5352.3 Ų52.325%0.24824%0.241CC..Hα-helixtrans-57-36.3-177.1-172.6174.616600112.3E76 I77 W78 Y186 S187 L190E74-E76 VanDerWaalsContact C-N 3.27Å; E74-E76 PolarHBondContact O-N 3.28Å; E74-I77 PolarHBondContact O-N 3.42Å; E74-W78 PolarHBondContact O-N 3.2Å; E74-Y186 HydrophobicContact CB-CD1 3.99Å; E74-Y186 HydrophobicContact CG-CD1 4.46Å; E74-S187 WeakPolarHBondContact OE1-CB 3.33Å; E74-S187 PolarHBondContact OE1-OG 3.04Å; E74-L190 HydrophobicContact CG-CB 4.31Å; E74-L190 HydrophobicContact CG-CD2 4.5Å
75E90.8Very high87.1Confident123 Ų12349.7 Ų49.758%0.57523%0.23SC*.Hα-helixtrans-63.2-33175.8-166.7-172152.800112.3D73 K79D73-E75 PolarHBondContact O-N 3.36Å; E75-K79 WeakPolarHBondContact O-CG 3.32Å; E75-K79 PolarHBondContact O-N 3.19Å; E75-K79 VanDerWaalsContact O-N 3.09Å; E75-K79 VanDerWaalsContact OE1-CE 3.32Å; E75-K79 WeakPolarHBondContact OE1-CE 3.39Å; E75-K79 IonicContact OE1-NZ 2.79Å; E75-K79 PolarHBondContact OE1-NZ 2.91Å
76E91.7Very high87.5Confident37 Ų3753.1 Ų53.117%0.17325%0.246CC..Hα-helixtrans-71.9-37.8177.1-60-178.6124.200111.1F58 L62 K65 I72 D73 E74 T80F58-E76 HydrophobicContact CE2-CB 4.42Å; F58-E76 HydrophobicContact CE2-CG 4.37Å; F58-E76 HydrophobicContact CZ-CB 3.88Å; F58-E76 HydrophobicContact CZ-CG 4.31Å; F58-E76 WeakPolarHBondContact CZ-O 3.18Å; L62-E76 HydrophobicContact CD1-CB 4.36Å; K65-E76 IonicContact NZ-OE1 2.86Å; K65-E76 PolarHBondContact NZ-OE1 3.21Å; K65-E76 IonicContact NZ-OE2 2.71Å; K65-E76 PolarHBondContact NZ-OE2 3.3Å; I72-E76 HydrophobicContact CG2-CB 3.98Å; D73-E76 HydrophobicContact CB-CG 4.17Å; D73-E76 PolarHBondContact N-OE2 3.15Å; D73-E76 WeakPolarHBondContact O-CA 3.25Å; D73-E76 WeakPolarHBondContact O-CB 3.48Å; D73-E76 PolarHBondContact O-N 3.28Å; E74-E76 VanDerWaalsContact C-N 3.27Å; E74-E76 PolarHBondContact O-N 3.28Å; E76-T80 PolarHBondContact O-N 3.15Å; E76-T80 PolarHBondContact O-OG1 3.01Å
77I92.8Very high87.9Confident0 Ų054 Ų540%025%0.251CS..Hα-helixtrans-64.5-45.1174.6-53.1-179.5000110I72 D73 E74 K79 T80 I81 I143 L147 Y186 L190 F194I72-I77 HydrophobicContact CG2-CD1 4.13Å; I72-I77 HydrophobicContact CG2-CG1 3.51Å; D73-I77 PolarHBondContact O-N 3.22Å; E74-I77 PolarHBondContact O-N 3.42Å; I77-K79 PolarHBondContact O-N 3.32Å; I77-T80 WeakPolarHBondContact O-CB 3.34Å; I77-T80 PolarHBondContact O-N 2.59Å; I77-I81 HydrophobicContact CG2-CD1 3.95Å; I77-I81 HydrophobicContact CG2-CG1 4.41Å; I77-I81 WeakPolarHBondContact O-CG1 3.29Å; I77-I81 PolarHBondContact O-N 3.36Å; I77-I143 HydrophobicContact CD1-CG2 4.42Å; I77-L147 HydrophobicContact CG1-CD2 4.2Å; I77-L147 HydrophobicContact CG2-CD1 4.15Å; I77-Y186 HydrophobicContact CD1-CD1 4.43Å; I77-Y186 HydrophobicContact CD1-CD2 4.2Å; I77-Y186 HydrophobicContact CD1-CE1 3.95Å; I77-Y186 HydrophobicContact CD1-CE2 3.69Å; I77-L190 HydrophobicContact CB-CD1 4Å; I77-L190 HydrophobicContact CD1-CD2 4.01Å; I77-L190 HydrophobicContact CG2-CD1 3.56Å; I77-L190 HydrophobicContact CG2-CD2 4.41Å; I77-F194 HydrophobicContact CG2-CE1 4.4Å; I77-F194 HydrophobicContact CG2-CE2 4.13Å; I77-F194 HydrophobicContact CG2-CZ 3.61Å
78W92Very high88.7Confident54 Ų5452.4 Ų52.421%0.20524%0.244CC..Hα-helixtrans-57.8-49.9176.5-76.613.8000112.3E74 T80 I81 D82 R189 L190E74-W78 PolarHBondContact O-N 3.2Å; W78-T80 PolarHBondContact O-N 3.25Å; W78-I81 WeakPolarHBondContact O-CB 3.33Å; W78-I81 PolarHBondContact O-N 3.4Å; W78-D82 PolarHBondContact O-N 3.31Å; W78-R189 VanDerWaalsContact CH2-CD 3.41Å; W78-R189 HydrophobicContact CH2-CG 4.06Å; W78-R189 HydrophobicContact CZ2-CB 4.16Å; W78-R189 VanDerWaalsContact CZ2-CD 3.42Å; W78-R189 HydrophobicContact CZ2-CG 3.55Å; W78-L190 VanDerWaalsContact CD1-CD1 3.48Å
79K91.6Very high89.7Confident79 Ų7952.5 Ų52.534%0.34325%0.249SC..Hα-helixtrans-58-39.5177.9-73.9174.2-174164.10112F58 E75 I77 D82 Y83F58-K79 HydrophobicContact CE1-CB 3.86Å; F58-K79 HydrophobicContact CE2-CD 4.47Å; F58-K79 HydrophobicContact CZ-CB 3.9Å; F58-K79 HydrophobicContact CZ-CD 4.36Å; E75-K79 WeakPolarHBondContact O-CG 3.32Å; E75-K79 PolarHBondContact O-N 3.19Å; E75-K79 VanDerWaalsContact O-N 3.09Å; E75-K79 VanDerWaalsContact OE1-CE 3.32Å; E75-K79 WeakPolarHBondContact OE1-CE 3.39Å; E75-K79 IonicContact OE1-NZ 2.79Å; E75-K79 PolarHBondContact OE1-NZ 2.91Å; I77-K79 PolarHBondContact O-N 3.32Å; K79-D82 PolarHBondContact O-N 3.29Å; K79-Y83 HydrophobicContact CB-CE2 4.43Å; K79-Y83 WeakPolarHBondContact O-CD2 3.49Å; K79-Y83 PolarHBondContact O-N 3.11Å
80T92.4Very high90.6Very high1 Ų154.9 Ų54.91%0.00626%0.261CS..Hα-helixtrans-65.1-42.4176.4-50.40000111.6F58 L62 E76 I77 W78 A84 L147 L150 V151F58-T80 WeakPolarHBondContact CE1-OG1 3.43Å; L62-T80 HydrophobicContact CD2-CG2 4.18Å; L62-T80 WeakPolarHBondContact CD2-OG1 3.29Å; E76-T80 PolarHBondContact O-N 3.15Å; E76-T80 PolarHBondContact O-OG1 3.01Å; I77-T80 WeakPolarHBondContact O-CB 3.34Å; I77-T80 PolarHBondContact O-N 2.59Å; W78-T80 PolarHBondContact O-N 3.25Å; T80-A84 VanDerWaalsContact O-CB 3.25Å; T80-A84 WeakPolarHBondContact O-CB 3.4Å; T80-A84 PolarHBondContact O-N 3.01Å; T80-L147 HydrophobicContact CG2-CD1 3.89Å; T80-L150 HydrophobicContact CG2-CB 4.15Å; T80-V151 HydrophobicContact CG2-CG2 3.85Å
81I95Very high91.3Very high2 Ų252.1 Ų52.11%0.0125%0.247CC..Hα-helixtrans-61.8-47.2175.7-69.9167.3000110.4I77 W78 Y83 A84 V85 L150 L190 H193 F194 M197I77-I81 HydrophobicContact CG2-CD1 3.95Å; I77-I81 HydrophobicContact CG2-CG1 4.41Å; I77-I81 WeakPolarHBondContact O-CG1 3.29Å; I77-I81 PolarHBondContact O-N 3.36Å; W78-I81 WeakPolarHBondContact O-CB 3.33Å; W78-I81 PolarHBondContact O-N 3.4Å; I81-Y83 PolarHBondContact O-N 3.24Å; I81-A84 PolarHBondContact O-N 3.49Å; I81-V85 HydrophobicContact CG2-CG2 4.17Å; I81-V85 WeakPolarHBondContact O-CB 2.92Å; I81-V85 VanDerWaalsContact O-CG2 3.3Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 3.29Å; I81-L150 HydrophobicContact CG1-CD1 3.99Å; I81-L190 HydrophobicContact CD1-CD1 4Å; I81-H193 HydrophobicContact CD1-CB 4.04Å; I81-H193 HydrophobicContact CG2-CB 4.48Å; I81-F194 HydrophobicContact CD1-CD1 3.68Å; I81-F194 HydrophobicContact CD1-CD2 4.31Å; I81-F194 HydrophobicContact CD1-CE1 3.63Å; I81-F194 HydrophobicContact CD1-CE2 4.28Å; I81-F194 HydrophobicContact CD1-CG 4.03Å; I81-F194 HydrophobicContact CD1-CZ 3.95Å; I81-F194 HydrophobicContact CG1-CD1 4.16Å; I81-F194 HydrophobicContact CG1-CE1 3.95Å; I81-M197 HydrophobicContact CG2-CB 3.84Å; I81-M197 HydrophobicContact CG2-CG 4.27Å
82D93.1Very high92Very high81 Ų8153 Ų5343%0.43325%0.252SS..Hα-helixtrans-59.9-48.8-179.2-68.5-20000111.1W78 K79 A84 V85 E86W78-D82 PolarHBondContact O-N 3.31Å; K79-D82 PolarHBondContact O-N 3.29Å; D82-A84 VanDerWaalsContact C-N 3.34Å; D82-A84 PolarHBondContact O-N 2.98Å; D82-V85 PolarHBondContact O-N 3.36Å; D82-E86 PolarHBondContact O-N 2.99Å; D82-E86 VanDerWaalsContact O-N 3.14Å
83Y92.4Very high92.4Very high62 Ų6252.8 Ų52.824%0.24325%0.252CS..Hα-helixtrans-61.8-40.4175.2-64.5-37.9000112.5E55 F58 K79 I81 E86 I87E55-Y83 HydrophobicContact CB-CD1 4.2Å; E55-Y83 HydrophobicContact CB-CD2 3.99Å; E55-Y83 HydrophobicContact CB-CE1 4.36Å; E55-Y83 HydrophobicContact CB-CE2 4.15Å; E55-Y83 HydrophobicContact CB-CG 4.02Å; E55-Y83 HydrophobicContact CG-CD1 3.45Å; E55-Y83 VanDerWaalsContact CG-CD1 3.45Å; E55-Y83 HydrophobicContact CG-CD2 4.1Å; E55-Y83 HydrophobicContact CG-CE1 3.44Å; E55-Y83 VanDerWaalsContact CG-CE1 3.44Å; E55-Y83 HydrophobicContact CG-CE2 4.08Å; E55-Y83 HydrophobicContact CG-CG 3.81Å; F58-Y83 HydrophobicContact CD1-CD2 4.19Å; F58-Y83 AromaticContact CD1-CE2 3.91Å; F58-Y83 HydrophobicContact CD1-CE2 3.91Å; F58-Y83 HydrophobicContact CE1-CE2 4.49Å; F58-Y83 HydrophobicContact CG-CE2 4.42Å; K79-Y83 HydrophobicContact CB-CE2 4.43Å; K79-Y83 WeakPolarHBondContact O-CD2 3.49Å; K79-Y83 PolarHBondContact O-N 3.11Å; I81-Y83 PolarHBondContact O-N 3.24Å; Y83-E86 PolarHBondContact O-N 3.04Å; Y83-I87 WeakPolarHBondContact O-CG1 3.45Å; Y83-I87 PolarHBondContact O-N 3.24Å
84A93.4Very high92.7Very high0 Ų048.9 Ų48.90%023%0.231CC..Hα-helixtrans-67.2-38.6178.200000111.9T80 I81 D82 I87 L88 L150 V154T80-A84 VanDerWaalsContact O-CB 3.25Å; T80-A84 WeakPolarHBondContact O-CB 3.4Å; T80-A84 PolarHBondContact O-N 3.01Å; I81-A84 PolarHBondContact O-N 3.49Å; D82-A84 VanDerWaalsContact C-N 3.34Å; D82-A84 PolarHBondContact O-N 2.98Å; A84-I87 PolarHBondContact O-N 3.22Å; A84-L88 VanDerWaalsContact O-CB 3.29Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 WeakPolarHBondContact O-CG 3.46Å; A84-L88 PolarHBondContact O-N 2.91Å; A84-L150 HydrophobicContact CB-CB 4.09Å; A84-L150 HydrophobicContact CB-CD2 3.71Å; A84-L150 HydrophobicContact CB-CG 4.32Å; A84-V154 HydrophobicContact CB-CG2 3.98Å
85V95Very high92.8Very high16 Ų1646.8 Ų46.810%0.09722%0.221CC..Hα-helixtrans-62.2-44.4176.9166.20000111.1I81 D82 I87 L88 L89 M197 C200I81-V85 HydrophobicContact CG2-CG2 4.17Å; I81-V85 WeakPolarHBondContact O-CB 2.92Å; I81-V85 VanDerWaalsContact O-CG2 3.3Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 3.29Å; D82-V85 PolarHBondContact O-N 3.36Å; V85-I87 PolarHBondContact O-N 3.25Å; V85-L88 PolarHBondContact O-N 3.21Å; V85-L89 HydrophobicContact CG1-CD1 3.85Å; V85-L89 HydrophobicContact CG1-CG 4.36Å; V85-L89 WeakPolarHBondContact O-CB 3.45Å; V85-L89 WeakPolarHBondContact O-CG 3.24Å; V85-L89 PolarHBondContact O-N 3.24Å; V85-M197 HydrophobicContact CG2-CB 3.88Å; V85-M197 HydrophobicContact CG2-CG 3.95Å; V85-C200 HydrophobicContact CG1-CB 4.49Å
86E92.2Very high92.9Very high123 Ų12345.8 Ų45.858%0.57522%0.217SC*.Hα-helixtrans-58.8-36.4176.6-72.3-178.7-179.500112.7D82 Y83 Q90D82-E86 PolarHBondContact O-N 2.99Å; D82-E86 VanDerWaalsContact O-N 3.14Å; Y83-E86 PolarHBondContact O-N 3.04Å; E86-Q90 WeakPolarHBondContact O-CG 2.88Å; E86-Q90 PolarHBondContact O-NE2 3.48Å; E86-Q90 VanDerWaalsContact O-NE2 3.07Å
87I92Very high93Very high26 Ų2644.3 Ų44.313%0.13321%0.21CC..Hα-helixtrans-78.6-45177.7-64171.1000110.8Y83 A84 V85 L89 Q90 K153 V154 P157Y83-I87 WeakPolarHBondContact O-CG1 3.45Å; Y83-I87 PolarHBondContact O-N 3.24Å; A84-I87 PolarHBondContact O-N 3.22Å; V85-I87 PolarHBondContact O-N 3.25Å; I87-L89 VanDerWaalsContact C-N 3.25Å; I87-L89 PolarHBondContact O-N 3.28Å; I87-Q90 WeakPolarHBondContact O-CB 3.48Å; I87-Q90 PolarHBondContact O-N 3.34Å; I87-K153 HydrophobicContact CG2-CD 4.38Å; I87-K153 HydrophobicContact CG2-CG 4.31Å; I87-V154 HydrophobicContact CD1-CB 4.25Å; I87-V154 HydrophobicContact CD1-CG1 4.35Å; I87-V154 HydrophobicContact CD1-CG2 4.12Å; I87-P157 HydrophobicContact CG2-CB 3.59Å
88L94.1Very high92.7Very high0 Ų048.2 Ų48.20%024%0.237CC..Hα-helixtrans-63.2-31-178.1-75.3168.3000112.8A84 V85 Q90 D91 L150 K153 I162 M197 L201 R233A84-L88 VanDerWaalsContact O-CB 3.29Å; A84-L88 WeakPolarHBondContact O-CB 3.45Å; A84-L88 WeakPolarHBondContact O-CG 3.46Å; A84-L88 PolarHBondContact O-N 2.91Å; V85-L88 PolarHBondContact O-N 3.21Å; L88-Q90 VanDerWaalsContact C-N 3.26Å; L88-Q90 PolarHBondContact O-N 3.16Å; L88-D91 PolarHBondContact O-N 3.22Å; L88-L150 HydrophobicContact CD1-CD2 4.41Å; L88-K153 HydrophobicContact CD2-CD 4.44Å; L88-K153 HydrophobicContact CD2-CG 4.22Å; L88-I162 HydrophobicContact CD2-CD1 4.12Å; L88-I162 HydrophobicContact CD2-CG1 3.91Å; L88-M197 HydrophobicContact CD1-CG 4.18Å; L88-M197 HydrophobicContact CD1-SD 4.06Å; L88-L201 HydrophobicContact CD1-CD2 3.85Å; L88-L201 HydrophobicContact CD2-CD2 3.95Å; L88-R233 PolarHBondContact O-NH1 3.38Å; L88-R233 PolarHBondContact O-NH2 3.32Å
89L93.3Very high92.2Very high76 Ų7646.4 Ų46.440%0.39823%0.233SC..THydrogen-bonded Turntrans-73.6-15174.7-72.1173.5000113.5V85 I87 C200 R233 P234V85-L89 HydrophobicContact CG1-CD1 3.85Å; V85-L89 HydrophobicContact CG1-CG 4.36Å; V85-L89 WeakPolarHBondContact O-CB 3.45Å; V85-L89 WeakPolarHBondContact O-CG 3.24Å; V85-L89 PolarHBondContact O-N 3.24Å; I87-L89 VanDerWaalsContact C-N 3.25Å; I87-L89 PolarHBondContact O-N 3.28Å; L89-C200 HydrophobicContact CD2-CB 4.18Å; L89-C200 HydrophobicContact CG-CB 4.38Å; L89-R233 HydrophobicContact CD2-CB 4.2Å; L89-P234 HydrophobicContact CD2-CG 4.39Å
90Q91.7Very high92Very high150 Ų15045.4 Ų45.470%0.70124%0.235SC*.THydrogen-bonded Turntrans-79.6-27.5173.1-64.3168.531.200112.1E86 I87 L88E86-Q90 WeakPolarHBondContact O-CG 2.88Å; E86-Q90 PolarHBondContact O-NE2 3.48Å; E86-Q90 VanDerWaalsContact O-NE2 3.07Å; I87-Q90 WeakPolarHBondContact O-CB 3.48Å; I87-Q90 PolarHBondContact O-N 3.34Å; L88-Q90 VanDerWaalsContact C-N 3.26Å; L88-Q90 PolarHBondContact O-N 3.16Å
91D90.9Very high91.8Very high30 Ų3045.6 Ų45.616%0.1624%0.235CC..SBendtrans-65.4154.1173.8-64.9-29.4000110.2L88 K153 P202 R233L88-D91 PolarHBondContact O-N 3.22Å; D91-K153 IonicContact OD1-NZ 2.95Å; D91-K153 PolarHBondContact OD1-NZ 2.94Å; D91-K153 VanDerWaalsContact OD2-CE 3.24Å; D91-K153 WeakPolarHBondContact OD2-CE 3.29Å; D91-K153 IonicContact OD2-NZ 2.63Å; D91-K153 PolarHBondContact OD2-NZ 3.22Å; D91-P202 HydrophobicContact CB-CG 3.99Å; D91-R233 VanDerWaalsContact C-NH2 3.29Å; D91-R233 PolarHBondContact O-NH2 3.4Å
92E92.3Very high91.6Very high104 Ų10445.7 Ų45.749%0.48624%0.237SC..  trans-79.7153.1167.7-70.5-171.3-172.500110.4L94 T95 R229E92-L94 WeakPolarHBondContact CB-O 3.39Å; E92-L94 CarbonylContact O-C 3.38Å; E92-L94 PolarHBondContact O-N 3.31Å; E92-T95 PolarHBondContact O-N 3.48Å; E92-T95 PolarHBondContact O-OG1 2.9Å; E92-R229 IonicContact OE2-CZ 3.68Å; E92-R229 IonicContact OE2-NH1 3.54Å; E92-R229 PolarHBondContact OE2-NH1 3.33Å
93T93.4Very high91.6Very high9 Ų941.9 Ų41.96%0.05522%0.216CC..SBendtrans-59.1-28.2175.1-55.20000112.5V203 A204 I228 C231 R233T93-V203 HydrophobicContact CG2-CB 4.18Å; T93-V203 HydrophobicContact CG2-CG2 3.99Å; T93-V203 PolarHBondContact O-N 3Å; T93-A204 PolarHBondContact O-N 3.47Å; T93-I228 HydrophobicContact CG2-CG2 4.14Å; T93-C231 HydrophobicContact CG2-CB 4.06Å; T93-C231 PolarHBondContact OG1-O 3.39Å; T93-R233 HydrophobicContact CG2-CG 4.46Å; T93-R233 PolarHBondContact OG1-NE 3.04Å
94L95.3Very high91.6Very high0 Ų038.9 Ų38.90%020%0.204CC..EExtended strand (participates in β ladder)trans-108.897162.4178.566000108.6E92 A204 L206 F212 F225 I228 R229E92-L94 WeakPolarHBondContact CB-O 3.39Å; E92-L94 CarbonylContact O-C 3.38Å; E92-L94 PolarHBondContact O-N 3.31Å; L94-A204 CarbonylContact C-O 3.55Å; L94-A204 VanDerWaalsContact CA-O 3.32Å; L94-A204 WeakPolarHBondContact CA-O 3.29Å; L94-A204 HydrophobicContact CD1-CB 3.69Å; L94-L206 HydrophobicContact CD1-CB 4.37Å; L94-F212 HydrophobicContact CD1-CD2 4.36Å; L94-F212 HydrophobicContact CD1-CE2 3.87Å; L94-F225 HydrophobicContact CD2-CB 3.7Å; L94-F225 HydrophobicContact CD2-CD1 4.08Å; L94-F225 HydrophobicContact CD2-CG 4.02Å; L94-I228 HydrophobicContact CB-CB 4.36Å; L94-I228 HydrophobicContact CB-CG2 3.93Å; L94-R229 HydrophobicContact CB-CG 3.96Å; L94-R229 HydrophobicContact CD2-CG 4.14Å
95T94.1Very high91.6Very high9 Ų938.9 Ų38.96%0.05520%0.204CC..EExtended strand (participates in β ladder)trans-79.4124.4-174.8-46.60000111.3E92 I97 F161 P202 A204 A205 L206E92-T95 PolarHBondContact O-N 3.48Å; E92-T95 PolarHBondContact O-OG1 2.9Å; T95-I97 HydrophobicContact CG2-CD1 4.39Å; T95-I97 HydrophobicContact CG2-CG1 4.01Å; T95-F161 HydrophobicContact CG2-CD1 3.98Å; T95-F161 HydrophobicContact CG2-CE1 4.13Å; T95-P202 WeakPolarHBondContact OG1-CB 3.38Å; T95-A204 PolarHBondContact N-O 3.26Å; T95-A205 CarbonylContact O-C 3.59Å; T95-A205 WeakPolarHBondContact O-CA 3.27Å; T95-A205 WeakPolarHBondContact O-CB 3.14Å; T95-L206 PolarHBondContact O-N 3.16Å
96E93Very high91.6Very high102 Ų10238.2 Ų38.248%0.47720%0.2SC..EExtended strand (participates in β ladder)trans-85.7128.8173.2-71-178.1-15600110.7R229E96-R229 IonicContact OE1-CZ 2.83Å; E96-R229 IonicContact OE1-NH1 2.87Å; E96-R229 PolarHBondContact OE1-NH1 3Å; E96-R229 IonicContact OE1-NH2 2.89Å; E96-R229 PolarHBondContact OE1-NH2 3.39Å
97I92.8Very high91.5Very high6 Ų632.6 Ų32.63%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-132.5135.8-174.3-52.7169.5000110.7T95 I101 L130 F161 A205 L206 V207 N208T95-I97 HydrophobicContact CG2-CD1 4.39Å; T95-I97 HydrophobicContact CG2-CG1 4.01Å; I97-I101 HydrophobicContact CB-CD1 4.48Å; I97-I101 HydrophobicContact CD1-CD1 4.28Å; I97-I101 HydrophobicContact CG2-CD1 3.41Å; I97-I101 VanDerWaalsContact CG2-CD1 3.41Å; I97-L130 HydrophobicContact CD1-CD1 3.78Å; I97-L130 HydrophobicContact CD1-CD2 4.13Å; I97-L130 HydrophobicContact CD1-CG 4.36Å; I97-F161 HydrophobicContact CD1-CB 3.89Å; I97-F161 HydrophobicContact CD1-CD1 3.94Å; I97-F161 HydrophobicContact CD1-CD2 3.82Å; I97-F161 HydrophobicContact CD1-CE1 4.42Å; I97-F161 HydrophobicContact CD1-CE2 4.31Å; I97-F161 HydrophobicContact CD1-CG 3.61Å; I97-F161 HydrophobicContact CG1-CD1 4.14Å; I97-F161 HydrophobicContact CG1-CD2 4.26Å; I97-F161 HydrophobicContact CG1-CE1 4.13Å; I97-F161 HydrophobicContact CG1-CE2 4.25Å; I97-F161 HydrophobicContact CG1-CG 4.2Å; I97-F161 HydrophobicContact CG1-CZ 4.17Å; I97-F161 HydrophobicContact CG2-CD2 4.1Å; I97-F161 HydrophobicContact CG2-CE2 3.68Å; I97-F161 HydrophobicContact CG2-CZ 4.11Å; I97-A205 HydrophobicContact CD1-CB 3.77Å; I97-L206 PolarHBondContact N-O 3.34Å; I97-V207 HydrophobicContact CB-CG2 4.41Å; I97-V207 CarbonylContact O-C 3.44Å; I97-V207 VanDerWaalsContact O-CA 3.22Å; I97-V207 WeakPolarHBondContact O-CA 3.49Å; I97-N208 PolarHBondContact O-N 2.93Å
98C87.6Confident91.5Very high83 Ų8331.5 Ų31.556%0.56117%0.168SC*.PPolyproline II helixtrans-88.3140.5173.5-58.40000111.5R128 N208C98-R128 PolarHBondContact O-NH1 3.02Å; C98-N208 WeakPolarHBondContact CA-OD1 3.37Å
99A81.3Confident91.2Very high15 Ų1531.5 Ų31.512%0.12417%0.169CC..SBendtrans-67.6153.9164.600000110.8V207 N208A99-V207 HydrophobicContact CB-CG1 4.48Å; A99-N208 PolarHBondContact N-OD1 3.3Å
100P86.6Confident90.8Very high59 Ų5928.8 Ų28.838%0.38315%0.154SC..SBendcis-80.11407.331.6-32000112.6A327 D332P100-A327 CarbonylContact C-O 3.53Å; P100-A327 VanDerWaalsContact CA-O 3.29Å; P100-A327 WeakPolarHBondContact CA-O 3.33Å; P100-D332 HydrophobicContact CB-CB 4.43Å; P100-D332 VanDerWaalsContact CD-OD2 3.23Å; P100-D332 WeakPolarHBondContact CD-OD2 3.45Å
101I89.2Confident90.6Very high4 Ų421.9 Ų21.92%0.02112%0.122CC..EExtended strand (participates in β ladder)trans-148.9141.3179.1-168.9156.1000113.1I97 I103 R128 L130 F161 V207 A327I97-I101 HydrophobicContact CB-CD1 4.48Å; I97-I101 HydrophobicContact CD1-CD1 4.28Å; I97-I101 HydrophobicContact CG2-CD1 3.41Å; I97-I101 VanDerWaalsContact CG2-CD1 3.41Å; I101-I103 HydrophobicContact CG2-CG1 4.34Å; I101-R128 HydrophobicContact CG1-CB 4.4Å; I101-L130 HydrophobicContact CD1-CB 3.64Å; I101-L130 HydrophobicContact CG1-CB 4.08Å; I101-F161 HydrophobicContact CD1-CD2 3.91Å; I101-F161 HydrophobicContact CD1-CE2 4.3Å; I101-V207 HydrophobicContact CG2-CG1 3.76Å; I101-V207 HydrophobicContact CG2-CG2 4.24Å; I101-A327 HydrophobicContact CG2-CB 4.03Å; I101-A327 PolarHBondContact N-O 3.43Å; I101-A327 PolarHBondContact O-N 3.35Å
102C90.2Very high90.2Very high5 Ų524.3 Ų24.33%0.03413%0.129CC..EExtended strand (participates in β ladder)trans-94.1113.5171.8-720000111T127 R128 Y129 L130 I324 M325C102-T127 HydrophobicContact CB-CG2 4.03Å; C102-T127 WeakPolarHBondContact SG-CG2 3.49Å; C102-R128 WeakPolarHBondContact CB-O 3.33Å; C102-R128 PolarHBondContact N-O 3.26Å; C102-Y129 HydrophobicContact CB-CD1 3.67Å; C102-Y129 HydrophobicContact CB-CE1 3.68Å; C102-Y129 HydrophobicContact CB-CG 4.43Å; C102-Y129 CarbonylContact O-C 3.23Å; C102-Y129 WeakPolarHBondContact O-CA 3.46Å; C102-L130 PolarHBondContact O-N 3.19Å; C102-I324 HydrophobicContact CB-CD1 3.82Å; C102-I324 HydrophobicContact CB-CG1 4.37Å; C102-M325 CarbonylContact C-O 3.58Å; C102-M325 WeakPolarHBondContact CA-O 3.26Å
103I92.4Very high89.7Confident0 Ų020 Ų200%011%0.11CC..EExtended strand (participates in β ladder)trans-93118.3178.3-49.5-179.8000109.5I101 L130 L132 V207 A287 I308 I324 M325I101-I103 HydrophobicContact CG2-CG1 4.34Å; I103-L130 CarbonylContact C-O 3.5Å; I103-L130 VanDerWaalsContact CA-O 3.3Å; I103-L130 WeakPolarHBondContact CA-O 3.34Å; I103-L130 HydrophobicContact CD1-CD2 4.49Å; I103-L130 HydrophobicContact CG1-CB 4.42Å; I103-L130 HydrophobicContact CG1-CD2 4.3Å; I103-L130 HydrophobicContact CG2-CD2 4.36Å; I103-L132 HydrophobicContact CG2-CD1 3.67Å; I103-L132 HydrophobicContact CG2-CD2 3.8Å; I103-L132 HydrophobicContact CG2-CG 3.71Å; I103-V207 HydrophobicContact CD1-CG2 4.41Å; I103-A287 HydrophobicContact CD1-CB 4.43Å; I103-I308 HydrophobicContact CB-CD1 4.31Å; I103-I308 HydrophobicContact CG2-CD1 4.04Å; I103-I324 VanDerWaalsContact O-CG1 3.31Å; I103-I324 WeakPolarHBondContact O-CG1 3.2Å; I103-M325 HydrophobicContact CB-CB 4.3Å; I103-M325 HydrophobicContact CD1-CE 3.79Å; I103-M325 HydrophobicContact CD1-SD 4.47Å; I103-M325 PolarHBondContact N-O 3.3Å; I103-M325 PolarHBondContact O-N 3.39Å
104C93.1Very high89.4Confident0 Ų019.8 Ų19.80%011%0.108CC..EExtended strand (participates in β ladder)trans-109.2139.3179.5-58.30000110.5L130 F131 L132 I324C104-L130 PolarHBondContact N-O 3.28Å; C104-F131 HydrophobicContact CB-CD1 3.43Å; C104-F131 VanDerWaalsContact CB-CD1 3.43Å; C104-F131 HydrophobicContact CB-CD2 4.48Å; C104-F131 HydrophobicContact CB-CE1 3.44Å; C104-F131 VanDerWaalsContact CB-CE1 3.44Å; C104-F131 HydrophobicContact CB-CE2 4.48Å; C104-F131 HydrophobicContact CB-CG 3.98Å; C104-F131 HydrophobicContact CB-CZ 3.99Å; C104-F131 WeakPolarHBondContact O-CA 3.36Å; C104-L132 WeakPolarHBondContact O-CG 3.16Å; C104-L132 PolarHBondContact O-N 3.15Å; C104-I324 WeakPolarHBondContact SG-CD1 3.29Å
105G93.4Very high89Confident0 Ų020.6 Ų20.60%011%0.112CC..  trans-88.9-153.917300000113.4I308 S310G105-I308 WeakPolarHBondContact CA-O 3.24Å; G105-S310 PolarHBondContact N-OG 3.12Å
106D94.2Very high88.3Confident2 Ų222.8 Ų22.81%0.01112%0.119CC..BIsolated β-bridgetrans-54.7141-177.9-52.212000111.7H108 D134 H215 A289 F309 S310 A311D106-H108 IonicContact OD2-NE2 3.64Å; D106-D134 HydrophobicContact CB-CB 4.02Å; D106-H215 IonicContact OD1-CE1 3.87Å; D106-H215 PolarHBondContact OD1-CE1 2.95Å; D106-H215 VanDerWaalsContact OD1-CE1 3.24Å; D106-H215 IonicContact OD1-ND1 3.32Å; D106-H215 IonicContact OD2-CE1 2.75Å; D106-A289 VanDerWaalsContact OD1-C 3.29Å; D106-A289 WeakPolarHBondContact OD1-CB 3.42Å; D106-F309 HydrophobicContact CB-CD2 3.9Å; D106-F309 HydrophobicContact CB-CE2 3.59Å; D106-F309 HydrophobicContact CB-CZ 4.03Å; D106-F309 WeakPolarHBondContact OD2-CE2 3.35Å; D106-S310 CarbonylContact O-C 3.53Å; D106-S310 VanDerWaalsContact O-C 3.29Å; D106-S310 WeakPolarHBondContact O-CA 3.44Å; D106-S310 PolarHBondContact O-N 2.63Å; D106-A311 WeakPolarHBondContact O-CB 3.26Å; D106-A311 PolarHBondContact O-N 2.81Å
107T91.4Very high87.8Confident5 Ų518.5 Ų18.53%0.03110%0.1CC..  trans-126.5-26.9178.955.10000114.1G109 Q110 F131 D134 M149T107-G109 PolarHBondContact O-N 3.26Å; T107-Q110 WeakPolarHBondContact O-CB 3.37Å; T107-Q110 PolarHBondContact O-N 3.16Å; T107-Q110 VanDerWaalsContact O-N 3.12Å; T107-F131 HydrophobicContact CG2-CD1 4.23Å; T107-F131 HydrophobicContact CG2-CE1 4Å; T107-D134 PolarHBondContact N-O 3.36Å; T107-M149 HydrophobicContact CG2-CE 4.33Å
108H91.3Very high87.5Confident2 Ų218.2 Ų18.21%0.00910%0.098CC..THydrogen-bonded Turntrans46.455.9166.4-75.1-61.1000115.4D106 Q110 D134 V136 D137 R138 G139 H167 Y314D106-H108 IonicContact OD2-NE2 3.64Å; H108-Q110 PolarHBondContact O-N 3.28Å; H108-D134 IonicContact CE1-OD2 2.64Å; H108-D134 PolarHBondContact CE1-OD2 3.43Å; H108-D134 PolarHBondContact N-O 3.24Å; H108-D134 IonicContact NE2-OD2 3.2Å; H108-V136 PolarHBondContact ND1-O 2.84Å; H108-D137 CarbonylContact C-O 3.35Å; H108-D137 VanDerWaalsContact CA-O 3.3Å; H108-D137 WeakPolarHBondContact CA-O 3.49Å; H108-D137 WeakPolarHBondContact CB-O 3.36Å; H108-D137 VanDerWaalsContact O-O 3.08Å; H108-R138 HydrophobicContact CB-CB 4.14Å; H108-G139 WeakPolarHBondContact O-CA 3.14Å; H108-G139 PolarHBondContact O-N 2.89Å; H108-H167 AromaticContact CE1-CD2 3.52Å; H108-H167 AromaticContact CE1-CG 3.83Å; H108-H167 AromaticContact CE1-NE2 3.69Å; H108-Y314 HydrophobicContact CB-CD2 4.37Å; H108-Y314 HydrophobicContact CB-CE2 3.86Å; H108-Y314 AromaticContact CD2-CD2 3.83Å; H108-Y314 AromaticContact CD2-CE2 3.06Å; H108-Y314 WeakPolarHBondContact CD2-CE2 3.29Å; H108-Y314 AromaticContact CD2-CZ 3.65Å; H108-Y314 AromaticContact CG-CE2 3.54Å; H108-Y314 AromaticContact NE2-CE2 3.53Å; H108-Y314 AromaticContact NE2-CZ 3.59Å; H108-Y314 PolarHBondContact NE2-OH 3.46Å; H108-Y314 VanDerWaalsContact NE2-OH 3.11Å
109G87.2Confident86.9Confident1 Ų118.1 Ų18.11%0.019%0.092CC..THydrogen-bonded Turntrans6514.3174.800000115.6T107 Y111 Y135 H141T107-G109 PolarHBondContact O-N 3.26Å; G109-Y111 VanDerWaalsContact C-N 3.35Å; G109-Y111 PolarHBondContact O-N 3.19Å; G109-Y111 VanDerWaalsContact O-N 3.16Å; G109-Y135 PolarHBondContact N-O 3.44Å; G109-H141 CarbonylContact O-C 3.43Å; G109-H141 WeakPolarHBondContact O-CB 3.34Å; G109-H141 PolarHBondContact O-N 3.25Å; G109-H141 VanDerWaalsContact O-N 3.15Å
110Q85.6Confident86.4Confident19 Ų1920.2 Ų20.29%0.08911%0.11CC..  trans-86.467.2176.8-65.1-172-112.700112.2T107 H108 Y112 D113 L114 P312T107-Q110 WeakPolarHBondContact O-CB 3.37Å; T107-Q110 PolarHBondContact O-N 3.16Å; T107-Q110 VanDerWaalsContact O-N 3.12Å; H108-Q110 PolarHBondContact O-N 3.28Å; Q110-Y112 PolarHBondContact O-N 3.44Å; Q110-D113 HydrophobicContact CB-CB 4.09Å; Q110-D113 PolarHBondContact NE2-OD2 3.07Å; Q110-D113 PolarHBondContact O-N 2.58Å; Q110-L114 PolarHBondContact O-N 2.91Å; Q110-L114 VanDerWaalsContact O-N 3.07Å; Q110-P312 PolarHBondContact NE2-O 2.97Å
111Y88.1Confident85.9Confident4 Ų418.3 Ų18.32%0.01610%0.097CC..Hα-helixtrans-49.8-46.9-175177.2-110000114.8M66 G109 D113 L114 L115 E144 M148M66-Y111 HydrophobicContact CE-CE2 4.17Å; G109-Y111 VanDerWaalsContact C-N 3.35Å; G109-Y111 PolarHBondContact O-N 3.19Å; G109-Y111 VanDerWaalsContact O-N 3.16Å; Y111-D113 VanDerWaalsContact C-N 3.34Å; Y111-D113 PolarHBondContact O-N 3.25Å; Y111-L114 WeakPolarHBondContact O-CB 3.2Å; Y111-L114 PolarHBondContact O-N 3.37Å; Y111-L115 HydrophobicContact CD1-CD1 4.13Å; Y111-L115 HydrophobicContact CE1-CD1 3.61Å; Y111-L115 HydrophobicContact CE1-CG 4.25Å; Y111-L115 HydrophobicContact CE2-CD2 4.25Å; Y111-L115 HydrophobicContact CE2-CG 4.46Å; Y111-L115 WeakPolarHBondContact O-CG 3.04Å; Y111-L115 PolarHBondContact O-N 3.5Å; Y111-E144 HydrophobicContact CD2-CB 3.56Å; Y111-E144 HydrophobicContact CE2-CB 3.96Å; Y111-E144 HydrophobicContact CG-CB 3.88Å; Y111-M148 HydrophobicContact CD2-CE 3.74Å; Y111-M148 HydrophobicContact CE2-CE 3.41Å; Y111-M148 VanDerWaalsContact CE2-CE 3.41Å; Y111-M148 HydrophobicContact CE2-SD 3.82Å
112Y81.7Confident85.5Confident82 Ų8219.2 Ų19.232%0.32211%0.107SC..Hα-helixtrans-70.7-29.9-178-61.4-74.2000113.3F34 H69 Q110 L115 R116 H141F34-Y112 HydrophobicContact CE2-CE1 4.24Å; F34-Y112 AromaticContact CZ-CE1 3.75Å; F34-Y112 HydrophobicContact CZ-CE1 3.75Å; H69-Y112 AromaticContact CE1-CE1 3.99Å; Q110-Y112 PolarHBondContact O-N 3.44Å; Y112-L115 HydrophobicContact CD1-CD1 4.23Å; Y112-L115 PolarHBondContact O-N 3.3Å; Y112-R116 WeakPolarHBondContact O-CG 3.36Å; Y112-R116 PolarHBondContact O-N 2.86Å; Y112-R116 VanDerWaalsContact O-N 3.09Å; Y112-H141 AromaticContact CE2-CD2 3.91Å; Y112-H141 AromaticContact CE2-NE2 3.63Å
113D81.8Confident85.3Confident14 Ų1420.4 Ų20.48%0.07511%0.111CC..Hα-helixtrans-73.5-32.9175.1-63.2-54000110.6Q110 Y111 R116 L117 P312Q110-D113 HydrophobicContact CB-CB 4.09Å; Q110-D113 PolarHBondContact NE2-OD2 3.07Å; Q110-D113 PolarHBondContact O-N 2.58Å; Y111-D113 VanDerWaalsContact C-N 3.34Å; Y111-D113 PolarHBondContact O-N 3.25Å; D113-R116 WeakPolarHBondContact O-CB 3.32Å; D113-R116 PolarHBondContact O-N 3.11Å; D113-R116 IonicContact OD1-NH1 2.78Å; D113-L117 WeakPolarHBondContact O-CB 3.45Å; D113-L117 PolarHBondContact O-N 3.21Å; D113-P312 HydrophobicContact CB-CG 3.87Å
114L87.5Confident84.9Confident4 Ų420.9 Ų20.92%0.02111%0.114CC..Hα-helixtrans-62.5-44.1169.1179.960.5000112.3Q110 Y111 R116 L117 F118 F131 V145 M148 M149Q110-L114 PolarHBondContact O-N 2.91Å; Q110-L114 VanDerWaalsContact O-N 3.07Å; Y111-L114 WeakPolarHBondContact O-CB 3.2Å; Y111-L114 PolarHBondContact O-N 3.37Å; L114-R116 VanDerWaalsContact C-N 3.29Å; L114-R116 PolarHBondContact O-N 3.26Å; L114-L117 WeakPolarHBondContact O-CB 3.46Å; L114-L117 PolarHBondContact O-N 2.83Å; L114-F118 HydrophobicContact CD1-CE1 4.04Å; L114-F118 HydrophobicContact CD1-CE2 3.95Å; L114-F118 HydrophobicContact CD1-CZ 3.61Å; L114-F118 HydrophobicContact CD2-CE2 4.4Å; L114-F118 HydrophobicContact CG-CD2 4.48Å; L114-F118 HydrophobicContact CG-CE2 3.85Å; L114-F118 HydrophobicContact CG-CZ 4.02Å; L114-F118 PolarHBondContact O-N 2.76Å; L114-F118 VanDerWaalsContact O-N 3.1Å; L114-F131 HydrophobicContact CD1-CE1 3.68Å; L114-F131 HydrophobicContact CD1-CZ 3.59Å; L114-V145 HydrophobicContact CD2-CG1 4.06Å; L114-V145 HydrophobicContact CD2-CG2 4.42Å; L114-M148 HydrophobicContact CB-CE 4.4Å; L114-M148 HydrophobicContact CD2-CE 3.43Å; L114-M148 VanDerWaalsContact CD2-CE 3.43Å; L114-M148 HydrophobicContact CG-CE 3.75Å; L114-M149 HydrophobicContact CD2-CE 4.19Å
115L86.7Confident84.3Confident17 Ų1723.5 Ų23.59%0.08913%0.131CC..Hα-helixtrans-60.3-40.2174-62.5176.8000111.8F67 Y111 Y112 L117 F118 D119 W123 M148F67-L115 HydrophobicContact CE1-CD2 4.03Å; Y111-L115 HydrophobicContact CD1-CD1 4.13Å; Y111-L115 HydrophobicContact CE1-CD1 3.61Å; Y111-L115 HydrophobicContact CE1-CG 4.25Å; Y111-L115 HydrophobicContact CE2-CD2 4.25Å; Y111-L115 HydrophobicContact CE2-CG 4.46Å; Y111-L115 WeakPolarHBondContact O-CG 3.04Å; Y111-L115 PolarHBondContact O-N 3.5Å; Y112-L115 HydrophobicContact CD1-CD1 4.23Å; Y112-L115 PolarHBondContact O-N 3.3Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-F118 PolarHBondContact O-N 3.49Å; L115-D119 PolarHBondContact O-N 3.06Å; L115-W123 HydrophobicContact CB-CH2 4.38Å; L115-W123 HydrophobicContact CD2-CH2 3.68Å; L115-W123 HydrophobicContact CD2-CZ3 4.19Å; L115-M148 HydrophobicContact CD2-CE 3.64Å; L115-M148 HydrophobicContact CD2-SD 3.77Å; L115-M148 HydrophobicContact CG-CE 4.35Å
116R78.3Confident83.8Confident54 Ų5434 Ų3420%0.20417%0.171CC..Hα-helixtrans-66.2-36.3175.9-72.3172.1178.2-170.5-1.8112.3L25 Y112 D113 L114 F118 D119 A120L25-R116 HydrophobicContact CD1-CB 4.47Å; L25-R116 HydrophobicContact CD2-CB 3.85Å; Y112-R116 WeakPolarHBondContact O-CG 3.36Å; Y112-R116 PolarHBondContact O-N 2.86Å; Y112-R116 VanDerWaalsContact O-N 3.09Å; D113-R116 WeakPolarHBondContact O-CB 3.32Å; D113-R116 PolarHBondContact O-N 3.11Å; D113-R116 IonicContact OD1-NH1 2.78Å; L114-R116 VanDerWaalsContact C-N 3.29Å; L114-R116 PolarHBondContact O-N 3.26Å; R116-F118 VanDerWaalsContact C-N 3.34Å; R116-D119 PolarHBondContact O-N 2.88Å; R116-A120 WeakPolarHBondContact O-CB 3.31Å; R116-A120 PolarHBondContact O-N 3.14Å
117L82.8Confident83.3Confident13 Ų1335.1 Ų35.17%0.06818%0.177CC..Hα-helixtrans-59.7-46.6174.2-177.2154.2000110.2D113 L114 L115 A120 T121 Y129 I324D113-L117 WeakPolarHBondContact O-CB 3.45Å; D113-L117 PolarHBondContact O-N 3.21Å; L114-L117 WeakPolarHBondContact O-CB 3.46Å; L114-L117 PolarHBondContact O-N 2.83Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L117-A120 PolarHBondContact O-N 2.95Å; L117-T121 PolarHBondContact O-N 3.29Å; L117-T121 PolarHBondContact O-OG1 3.43Å; L117-Y129 HydrophobicContact CD2-CE1 3.72Å; L117-I324 HydrophobicContact CD1-CD1 4.45Å; L117-I324 HydrophobicContact CD2-CD1 3.96Å; L117-I324 HydrophobicContact CG-CD1 4.25Å
118F86.6Confident83.4Confident0 Ų037.6 Ų37.60%019%0.186CC..Hα-helixtrans-65.8-39.9175.2-61.5-33.9000113.3L114 L115 R116 A120 T121 G122 W123 P124 Y129 F131 M148 Y152 F160L114-F118 HydrophobicContact CD1-CE1 4.04Å; L114-F118 HydrophobicContact CD1-CE2 3.95Å; L114-F118 HydrophobicContact CD1-CZ 3.61Å; L114-F118 HydrophobicContact CD2-CE2 4.4Å; L114-F118 HydrophobicContact CG-CD2 4.48Å; L114-F118 HydrophobicContact CG-CE2 3.85Å; L114-F118 HydrophobicContact CG-CZ 4.02Å; L114-F118 PolarHBondContact O-N 2.76Å; L114-F118 VanDerWaalsContact O-N 3.1Å; L115-F118 PolarHBondContact O-N 3.49Å; R116-F118 VanDerWaalsContact C-N 3.34Å; F118-A120 VanDerWaalsContact C-N 3.25Å; F118-A120 PolarHBondContact O-N 3.44Å; F118-T121 PolarHBondContact O-N 2.82Å; F118-G122 CarbonylContact O-C 3.55Å; F118-G122 VanDerWaalsContact O-CA 3.3Å; F118-G122 WeakPolarHBondContact O-CA 3.33Å; F118-G122 PolarHBondContact O-N 3.2Å; F118-W123 HydrophobicContact CB-CD2 3.73Å; F118-W123 HydrophobicContact CB-CE3 3.9Å; F118-W123 HydrophobicContact CB-CG 4.24Å; F118-W123 HydrophobicContact CB-CH2 4.16Å; F118-W123 HydrophobicContact CB-CZ2 3.97Å; F118-W123 HydrophobicContact CB-CZ3 4.11Å; F118-W123 HydrophobicContact CD2-CE3 4.03Å; F118-W123 HydrophobicContact CD2-CH2 4.25Å; F118-W123 AromaticContact CD2-CZ3 3.77Å; F118-W123 HydrophobicContact CD2-CZ3 3.77Å; F118-W123 HydrophobicContact CG-CE3 4.3Å; F118-W123 HydrophobicContact CG-CZ3 4.39Å; F118-P124 HydrophobicContact CE1-CG 4.44Å; F118-Y129 HydrophobicContact CD1-CE1 4.19Å; F118-Y129 AromaticContact CD1-CE2 3.95Å; F118-Y129 HydrophobicContact CD1-CE2 3.95Å; F118-Y129 AromaticContact CD1-CZ 3.7Å; F118-Y129 HydrophobicContact CE1-CD1 4.44Å; F118-Y129 HydrophobicContact CE1-CD2 4.32Å; F118-Y129 HydrophobicContact CE1-CE1 4.21Å; F118-Y129 HydrophobicContact CE1-CE2 4.05Å; F118-Y129 HydrophobicContact CE1-CG 4.49Å; F118-Y129 AromaticContact CE1-CZ 4Å; F118-F131 HydrophobicContact CE1-CE2 4.18Å; F118-F131 AromaticContact CE1-CZ 3.87Å; F118-F131 HydrophobicContact CE1-CZ 3.87Å; F118-F131 HydrophobicContact CZ-CE2 4.38Å; F118-F131 HydrophobicContact CZ-CZ 4.07Å; F118-M148 HydrophobicContact CE2-CE 3.97Å; F118-M148 HydrophobicContact CE2-SD 4.33Å; F118-Y152 HydrophobicContact CE2-CD2 4.42Å; F118-Y152 AromaticContact CE2-CE2 3.96Å; F118-Y152 HydrophobicContact CE2-CE2 3.96Å; F118-F160 HydrophobicContact CE1-CE2 4.24Å; F118-F160 HydrophobicContact CZ-CE2 4.04Å; F118-F160 HydrophobicContact CZ-CZ 4.24Å
119D75.8Confident83.6Confident80 Ų8037.5 Ų37.543%0.42819%0.186SC..Hα-helixtrans-63-32.5173.9-82.2-30.1000112.5K45 L115 R116 W123K45-D119 IonicContact NZ-OD1 3.93Å; K45-D119 PolarHBondContact NZ-OD1 3.46Å; L115-D119 PolarHBondContact O-N 3.06Å; R116-D119 PolarHBondContact O-N 2.88Å; D119-W123 VanDerWaalsContact OD1-CE2 3.29Å; D119-W123 VanDerWaalsContact OD1-CZ2 3.3Å; D119-W123 WeakPolarHBondContact OD1-CZ2 3.44Å; D119-W123 PolarHBondContact OD1-NE1 3.33Å
120A70.3Confident84Confident60 Ų6037.4 Ų37.450%0.49619%0.185SC..Hα-helixtrans-80.4-3318000000113.8R116 L117 F118R116-A120 WeakPolarHBondContact O-CB 3.31Å; R116-A120 PolarHBondContact O-N 3.14Å; L117-A120 PolarHBondContact O-N 2.95Å; F118-A120 VanDerWaalsContact C-N 3.25Å; F118-A120 PolarHBondContact O-N 3.44Å
121T76.7Confident84.5Confident18 Ų1836.5 Ų36.511%0.1118%0.181CC..Hα-helixtrans-113.1-8.8-171.252.10000114.2L117 F118 T127 Y129 I324L117-T121 PolarHBondContact O-N 3.29Å; L117-T121 PolarHBondContact O-OG1 3.43Å; F118-T121 PolarHBondContact O-N 2.82Å; T121-T127 PolarHBondContact O-OG1 3.31Å; T121-Y129 WeakPolarHBondContact CB-OH 3.39Å; T121-Y129 PolarHBondContact OG1-OH 2.7Å; T121-I324 HydrophobicContact CG2-CD1 3.75Å; T121-I324 HydrophobicContact CG2-CG2 3.88Å
122G80Confident84.9Confident23 Ų2336.3 Ų36.324%0.23718%0.18CC..  trans106.5143.5-179.200000112.4F118 T127 Y129F118-G122 CarbonylContact O-C 3.55Å; F118-G122 VanDerWaalsContact O-CA 3.3Å; F118-G122 WeakPolarHBondContact O-CA 3.33Å; F118-G122 PolarHBondContact O-N 3.2Å; G122-T127 WeakPolarHBondContact CA-OG1 3.43Å; G122-Y129 PolarHBondContact O-OH 3.46Å
123W85.6Confident85.5Confident31 Ų3132.4 Ų32.412%0.11717%0.165CC..  trans-82.9143.6-177.1-70.773.6000111.5F37 F67 L115 F118 D119 R126 Y152F37-W123 HydrophobicContact CZ-CH2 4.38Å; F37-W123 AromaticContact CZ-CZ2 3.99Å; F37-W123 HydrophobicContact CZ-CZ2 3.99Å; F67-W123 AromaticContact CE1-CH2 3.91Å; F67-W123 HydrophobicContact CE1-CH2 3.91Å; F67-W123 AromaticContact CE1-CZ3 3.72Å; F67-W123 HydrophobicContact CE1-CZ3 3.72Å; F67-W123 HydrophobicContact CZ-CE3 4.33Å; F67-W123 HydrophobicContact CZ-CH2 4.22Å; F67-W123 AromaticContact CZ-CZ3 3.62Å; F67-W123 HydrophobicContact CZ-CZ3 3.62Å; L115-W123 HydrophobicContact CB-CH2 4.38Å; L115-W123 HydrophobicContact CD2-CH2 3.68Å; L115-W123 HydrophobicContact CD2-CZ3 4.19Å; F118-W123 HydrophobicContact CB-CD2 3.73Å; F118-W123 HydrophobicContact CB-CE3 3.9Å; F118-W123 HydrophobicContact CB-CG 4.24Å; F118-W123 HydrophobicContact CB-CH2 4.16Å; F118-W123 HydrophobicContact CB-CZ2 3.97Å; F118-W123 HydrophobicContact CB-CZ3 4.11Å; F118-W123 HydrophobicContact CD2-CE3 4.03Å; F118-W123 HydrophobicContact CD2-CH2 4.25Å; F118-W123 AromaticContact CD2-CZ3 3.77Å; F118-W123 HydrophobicContact CD2-CZ3 3.77Å; F118-W123 HydrophobicContact CG-CE3 4.3Å; F118-W123 HydrophobicContact CG-CZ3 4.39Å; D119-W123 VanDerWaalsContact OD1-CE2 3.29Å; D119-W123 VanDerWaalsContact OD1-CZ2 3.3Å; D119-W123 WeakPolarHBondContact OD1-CZ2 3.44Å; D119-W123 PolarHBondContact OD1-NE1 3.33Å; W123-R126 WeakPolarHBondContact O-CB 3.24Å; W123-R126 PolarHBondContact O-N 3.29Å; W123-Y152 VanDerWaalsContact CE3-OH 3.3Å
124P84.1Confident86.2Confident10 Ų1031.8 Ų31.87%0.06516%0.161CC..THydrogen-bonded Turntrans-55.2137.4168.4-20.930.8000111F118 Y129 Y152 Y156 F160F118-P124 HydrophobicContact CE1-CG 4.44Å; P124-Y129 HydrophobicContact CG-CD2 3.86Å; P124-Y129 HydrophobicContact CG-CE2 3.89Å; P124-Y152 HydrophobicContact CB-CD1 3.78Å; P124-Y152 HydrophobicContact CB-CE1 3.97Å; P124-Y152 HydrophobicContact CB-CG 4.3Å; P124-Y152 HydrophobicContact CG-CD1 4.06Å; P124-Y152 HydrophobicContact CG-CD2 4.39Å; P124-Y152 HydrophobicContact CG-CE1 4.14Å; P124-Y152 HydrophobicContact CG-CE2 4.46Å; P124-Y152 HydrophobicContact CG-CG 4.2Å; P124-Y156 HydrophobicContact CB-CD2 3.92Å; P124-Y156 HydrophobicContact CB-CE2 4.12Å; P124-F160 HydrophobicContact CB-CD2 4.19Å; P124-F160 HydrophobicContact CG-CD2 3.78Å; P124-F160 HydrophobicContact CG-CE2 3.83Å
125P81.2Confident86.6Confident54 Ų5431.6 Ų31.635%0.35116%0.16SC..THydrogen-bonded Turncis-93.72.78.636.4-31.2000113.8T127 Y156P125-T127 PolarHBondContact O-N 2.79Å; P125-Y156 HydrophobicContact CB-CD1 3.68Å; P125-Y156 HydrophobicContact CB-CD2 4.07Å; P125-Y156 HydrophobicContact CB-CE1 3.81Å; P125-Y156 HydrophobicContact CB-CE2 4.17Å; P125-Y156 HydrophobicContact CB-CG 3.83Å; P125-Y156 VanDerWaalsContact CD-CZ 3.48Å; P125-Y156 HydrophobicContact CG-CD1 4.05Å; P125-Y156 HydrophobicContact CG-CE1 3.64Å; P125-Y156 HydrophobicContact CG-CE2 4.27Å
126R82.4Confident86.9Confident222 Ų22230.8 Ų30.884%0.83816%0.156SC*.THydrogen-bonded Turntrans-60-32-177.2-61.1-176.7179.7-173.9-1.7112.1W123W123-R126 WeakPolarHBondContact O-CB 3.24Å; W123-R126 PolarHBondContact O-N 3.29Å
127T84.7Confident87.5Confident24 Ų2428.2 Ų28.215%0.14715%0.146CC..SBendtrans-118.7128.5174.6-55.10000108.4C102 T121 G122 P125 Y129C102-T127 HydrophobicContact CB-CG2 4.03Å; C102-T127 WeakPolarHBondContact SG-CG2 3.49Å; T121-T127 PolarHBondContact O-OG1 3.31Å; G122-T127 WeakPolarHBondContact CA-OG1 3.43Å; P125-T127 PolarHBondContact O-N 2.79Å; T127-Y129 HydrophobicContact CG2-CD2 4.33Å; T127-Y129 HydrophobicContact CG2-CE1 4.29Å; T127-Y129 HydrophobicContact CG2-CE2 3.69Å; T127-Y129 WeakPolarHBondContact O-CD2 3.31Å; T127-Y129 WeakPolarHBondContact O-CE2 3.22Å
128R93Very high87.6Confident57 Ų5732.3 Ų32.322%0.21516%0.161CC..  trans-83.5138.3175.3-56.4177.876.2-144.5-4.2109.4C98 I101 C102 N158 D159C98-R128 PolarHBondContact O-NH1 3.02Å; I101-R128 HydrophobicContact CG1-CB 4.4Å; C102-R128 WeakPolarHBondContact CB-O 3.33Å; C102-R128 PolarHBondContact N-O 3.26Å; R128-N158 PolarHBondContact NH2-O 3.16Å; R128-D159 CarbonylContact C-O 3.57Å; R128-D159 VanDerWaalsContact CA-O 3.23Å; R128-D159 WeakPolarHBondContact CA-O 3.39Å; R128-D159 WeakPolarHBondContact CD-OD1 3.38Å; R128-D159 HydrophobicContact CG-CB 4.03Å; R128-D159 IonicContact CZ-OD1 3.4Å; R128-D159 IonicContact NE-OD1 2.72Å; R128-D159 PolarHBondContact NE-OD1 3.44Å
129Y94.7Very high87.2Confident0 Ų033.2 Ų33.20%017%0.17CC..EExtended strand (participates in β ladder)trans-126.1141.1-173.5-74.9-84.1000112.8C102 L117 F118 T121 G122 P124 T127 F131 D159 F160 F161 I324C102-Y129 HydrophobicContact CB-CD1 3.67Å; C102-Y129 HydrophobicContact CB-CE1 3.68Å; C102-Y129 HydrophobicContact CB-CG 4.43Å; C102-Y129 CarbonylContact O-C 3.23Å; C102-Y129 WeakPolarHBondContact O-CA 3.46Å; L117-Y129 HydrophobicContact CD2-CE1 3.72Å; F118-Y129 HydrophobicContact CD1-CE1 4.19Å; F118-Y129 AromaticContact CD1-CE2 3.95Å; F118-Y129 HydrophobicContact CD1-CE2 3.95Å; F118-Y129 AromaticContact CD1-CZ 3.7Å; F118-Y129 HydrophobicContact CE1-CD1 4.44Å; F118-Y129 HydrophobicContact CE1-CD2 4.32Å; F118-Y129 HydrophobicContact CE1-CE1 4.21Å; F118-Y129 HydrophobicContact CE1-CE2 4.05Å; F118-Y129 HydrophobicContact CE1-CG 4.49Å; F118-Y129 AromaticContact CE1-CZ 4Å; T121-Y129 WeakPolarHBondContact CB-OH 3.39Å; T121-Y129 PolarHBondContact OG1-OH 2.7Å; G122-Y129 PolarHBondContact O-OH 3.46Å; P124-Y129 HydrophobicContact CG-CD2 3.86Å; P124-Y129 HydrophobicContact CG-CE2 3.89Å; T127-Y129 HydrophobicContact CG2-CD2 4.33Å; T127-Y129 HydrophobicContact CG2-CE1 4.29Å; T127-Y129 HydrophobicContact CG2-CE2 3.69Å; T127-Y129 WeakPolarHBondContact O-CD2 3.31Å; T127-Y129 WeakPolarHBondContact O-CE2 3.22Å; Y129-F131 HydrophobicContact CD1-CE2 4.03Å; Y129-F131 HydrophobicContact CD1-CZ 4.38Å; Y129-F131 HydrophobicContact CG-CE2 4.04Å; Y129-D159 PolarHBondContact N-O 3.05Å; Y129-F160 HydrophobicContact CD2-CD2 4.25Å; Y129-F160 HydrophobicContact CD2-CE2 4.21Å; Y129-F160 HydrophobicContact CG-CD2 4.48Å; Y129-F160 HydrophobicContact CG-CE2 4.29Å; Y129-F161 WeakPolarHBondContact O-CD2 3.4Å; Y129-F161 PolarHBondContact O-N 2.81Å; Y129-I324 HydrophobicContact CE1-CD1 3.99Å
130L96.2Very high87.4Confident0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-121.9112.9164.517363.3000108.5I97 I101 C102 I103 C104 L132 F161 L163 A205 V207 C213I97-L130 HydrophobicContact CD1-CD1 3.78Å; I97-L130 HydrophobicContact CD1-CD2 4.13Å; I97-L130 HydrophobicContact CD1-CG 4.36Å; I101-L130 HydrophobicContact CD1-CB 3.64Å; I101-L130 HydrophobicContact CG1-CB 4.08Å; C102-L130 PolarHBondContact O-N 3.19Å; I103-L130 CarbonylContact C-O 3.5Å; I103-L130 VanDerWaalsContact CA-O 3.3Å; I103-L130 WeakPolarHBondContact CA-O 3.34Å; I103-L130 HydrophobicContact CD1-CD2 4.49Å; I103-L130 HydrophobicContact CG1-CB 4.42Å; I103-L130 HydrophobicContact CG1-CD2 4.3Å; I103-L130 HydrophobicContact CG2-CD2 4.36Å; C104-L130 PolarHBondContact N-O 3.28Å; L130-L132 HydrophobicContact CD2-CD2 4.09Å; L130-L132 HydrophobicContact CG-CD2 4.11Å; L130-F161 WeakPolarHBondContact CA-O 3.46Å; L130-F161 HydrophobicContact CD1-CB 3.75Å; L130-L163 HydrophobicContact CD1-CD1 4.04Å; L130-L163 HydrophobicContact CD1-CD2 4.28Å; L130-L163 HydrophobicContact CD1-CG 3.81Å; L130-A205 HydrophobicContact CD1-CB 4.06Å; L130-A205 HydrophobicContact CD2-CB 3.93Å; L130-V207 HydrophobicContact CD2-CG2 4.15Å; L130-C213 HydrophobicContact CD2-CB 3.8Å
131F97Very high88.3Confident0 Ų032.8 Ų32.80%016%0.163CC..EExtended strand (participates in β ladder)trans-96.5129.6173.3-77.1-95.3000110.5C104 T107 L114 F118 Y129 Y135 M149 F160 F161 I162 L163C104-F131 HydrophobicContact CB-CD1 3.43Å; C104-F131 VanDerWaalsContact CB-CD1 3.43Å; C104-F131 HydrophobicContact CB-CD2 4.48Å; C104-F131 HydrophobicContact CB-CE1 3.44Å; C104-F131 VanDerWaalsContact CB-CE1 3.44Å; C104-F131 HydrophobicContact CB-CE2 4.48Å; C104-F131 HydrophobicContact CB-CG 3.98Å; C104-F131 HydrophobicContact CB-CZ 3.99Å; C104-F131 WeakPolarHBondContact O-CA 3.36Å; T107-F131 HydrophobicContact CG2-CD1 4.23Å; T107-F131 HydrophobicContact CG2-CE1 4Å; L114-F131 HydrophobicContact CD1-CE1 3.68Å; L114-F131 HydrophobicContact CD1-CZ 3.59Å; F118-F131 HydrophobicContact CE1-CE2 4.18Å; F118-F131 AromaticContact CE1-CZ 3.87Å; F118-F131 HydrophobicContact CE1-CZ 3.87Å; F118-F131 HydrophobicContact CZ-CE2 4.38Å; F118-F131 HydrophobicContact CZ-CZ 4.07Å; Y129-F131 HydrophobicContact CD1-CE2 4.03Å; Y129-F131 HydrophobicContact CD1-CZ 4.38Å; Y129-F131 HydrophobicContact CG-CE2 4.04Å; F131-Y135 HydrophobicContact CB-CE1 3.64Å; F131-Y135 WeakPolarHBondContact CB-OH 3.27Å; F131-Y135 HydrophobicContact CD1-CE1 4.41Å; F131-Y135 HydrophobicContact CG-CE1 4.39Å; F131-Y135 PolarHBondContact O-OH 3.18Å; F131-M149 HydrophobicContact CD1-CE 3.46Å; F131-M149 VanDerWaalsContact CD1-CE 3.46Å; F131-M149 HydrophobicContact CE1-CE 3.68Å; F131-M149 HydrophobicContact CG-CE 3.94Å; F131-M149 HydrophobicContact CZ-CE 4.31Å; F131-F160 HydrophobicContact CD2-CE1 4.16Å; F131-F160 HydrophobicContact CD2-CE2 4.37Å; F131-F160 AromaticContact CD2-CZ 3.78Å; F131-F160 HydrophobicContact CD2-CZ 3.78Å; F131-F160 HydrophobicContact CE2-CE1 4.27Å; F131-F160 AromaticContact CE2-CE2 3.77Å; F131-F160 HydrophobicContact CE2-CE2 3.77Å; F131-F160 AromaticContact CE2-CZ 3.43Å; F131-F160 HydrophobicContact CE2-CZ 3.43Å; F131-F160 VanDerWaalsContact CE2-CZ 3.43Å; F131-F160 HydrophobicContact CZ-CZ 4.39Å; F131-F161 PolarHBondContact N-O 3.48Å; F131-I162 HydrophobicContact CB-CG2 4.23Å; F131-L163 PolarHBondContact O-N 2.7Å
132L96.7Very high89Confident0 Ų032 Ų320%016%0.158CC..  trans-86.1-13-168.4-65.2-178.3000115.6I103 C104 L130 L163 C213 H215 A289I103-L132 HydrophobicContact CG2-CD1 3.67Å; I103-L132 HydrophobicContact CG2-CD2 3.8Å; I103-L132 HydrophobicContact CG2-CG 3.71Å; C104-L132 WeakPolarHBondContact O-CG 3.16Å; C104-L132 PolarHBondContact O-N 3.15Å; L130-L132 HydrophobicContact CD2-CD2 4.09Å; L130-L132 HydrophobicContact CG-CD2 4.11Å; L132-L163 HydrophobicContact CD2-CD1 3.92Å; L132-C213 HydrophobicContact CD2-CB 3.73Å; L132-H215 WeakPolarHBondContact O-CA 3.2Å; L132-H215 VanDerWaalsContact O-CB 3.31Å; L132-H215 WeakPolarHBondContact O-CB 3.36Å; L132-A289 HydrophobicContact CB-CB 3.63Å; L132-A289 HydrophobicContact CD1-CB 3.94Å; L132-A289 HydrophobicContact CG-CB 4.42Å
133G94.5Very high89.6Confident0 Ų031 Ų310%015%0.147CC..SBendtrans141.8-175.2178.100000112.7Y135G133-Y135 WeakPolarHBondContact O-CD1 3.46Å; G133-Y135 WeakPolarHBondContact O-CE1 3.39Å
134D95.7Very high89.9Confident0 Ų031.5 Ų31.50%015%0.151CC..  trans54.366.1174.2-76.48.4000113.5D106 T107 H108 G165 N166 H167 E168 H215D106-D134 HydrophobicContact CB-CB 4.02Å; T107-D134 PolarHBondContact N-O 3.36Å; H108-D134 IonicContact CE1-OD2 2.64Å; H108-D134 PolarHBondContact CE1-OD2 3.43Å; H108-D134 PolarHBondContact N-O 3.24Å; H108-D134 IonicContact NE2-OD2 3.2Å; D134-G165 WeakPolarHBondContact OD1-CA 3.2Å; D134-N166 PolarHBondContact OD1-N 3.45Å; D134-N166 PolarHBondContact OD1-OD1 3.34Å; D134-N166 PolarHBondContact OD2-OD1 3.05Å; D134-N166 VanDerWaalsContact OD2-OD1 3.08Å; D134-H167 HydrophobicContact CB-CB 4.43Å; D134-H167 VanDerWaalsContact CG-CD2 3.47Å; D134-H167 WeakPolarHBondContact OD1-CB 3.32Å; D134-H167 IonicContact OD1-CD2 3.26Å; D134-H167 IonicContact OD1-CG 2.62Å; D134-H167 PolarHBondContact OD1-N 2.84Å; D134-H167 IonicContact OD2-CD2 2.68Å; D134-H167 PolarHBondContact OD2-CD2 3.47Å; D134-E168 WeakPolarHBondContact CA-OE1 3.49Å; D134-E168 WeakPolarHBondContact CA-OE2 3.47Å; D134-E168 PolarHBondContact N-OE2 2.62Å; D134-H215 IonicContact OD1-CD2 3.56Å; D134-H215 IonicContact OD1-CE1 3.75Å; D134-H215 PolarHBondContact OD1-CE1 2.56Å; D134-H215 IonicContact OD1-NE2 3.96Å; D134-H215 PolarHBondContact OD1-NE2 2.87Å; D134-H215 VanDerWaalsContact OD1-NE2 3.11Å; D134-H215 IonicContact OD2-CE1 3.5Å; D134-H215 PolarHBondContact OD2-CE1 2.83Å; D134-H215 IonicContact OD2-NE2 3.12Å; D134-H215 PolarHBondContact OD2-NE2 3.43Å
135Y95.1Very high90.4Very high0 Ų031 Ų310%015%0.148CC..  trans-90.7-31-179.7-48.5-40.4000112.5G109 F131 G133 V145 I146 M149 I162 L163 E168 L201G109-Y135 PolarHBondContact N-O 3.44Å; F131-Y135 HydrophobicContact CB-CE1 3.64Å; F131-Y135 WeakPolarHBondContact CB-OH 3.27Å; F131-Y135 HydrophobicContact CD1-CE1 4.41Å; F131-Y135 HydrophobicContact CG-CE1 4.39Å; F131-Y135 PolarHBondContact O-OH 3.18Å; G133-Y135 WeakPolarHBondContact O-CD1 3.46Å; G133-Y135 WeakPolarHBondContact O-CE1 3.39Å; Y135-V145 WeakPolarHBondContact O-CG1 3.1Å; Y135-I146 HydrophobicContact CD2-CD1 3.72Å; Y135-I146 HydrophobicContact CG-CD1 4.33Å; Y135-M149 HydrophobicContact CD1-CE 3.44Å; Y135-M149 VanDerWaalsContact CD1-CE 3.44Å; Y135-M149 HydrophobicContact CD1-SD 3.39Å; Y135-M149 WeakPolarHBondContact CD1-SD 3.26Å; Y135-M149 HydrophobicContact CD2-SD 3.89Å; Y135-M149 HydrophobicContact CE1-CE 3.86Å; Y135-M149 HydrophobicContact CE1-SD 3.7Å; Y135-M149 HydrophobicContact CE2-SD 4.1Å; Y135-M149 HydrophobicContact CG-CE 4.04Å; Y135-M149 HydrophobicContact CG-SD 3.48Å; Y135-I162 HydrophobicContact CE2-CB 4.2Å; Y135-I162 WeakPolarHBondContact OH-CA 3.25Å; Y135-I162 WeakPolarHBondContact OH-CB 3.47Å; Y135-L163 VanDerWaalsContact CE2-O 3.29Å; Y135-L163 WeakPolarHBondContact CE2-O 3.37Å; Y135-L163 VanDerWaalsContact CZ-O 3.29Å; Y135-L163 PolarHBondContact OH-N 2.92Å; Y135-L163 PolarHBondContact OH-O 2.98Å; Y135-E168 HydrophobicContact CD2-CG 4.22Å; Y135-E168 PolarHBondContact N-OE1 3.04Å; Y135-L201 HydrophobicContact CE2-CD1 4.46Å
136V93.6Very high91Very high0 Ų028.4 Ų28.40%013%0.131CC..SBendtrans-107.8172.8-174.6-57.90000111.8H108 I146 H167 E168 N173 F178 F198H108-V136 PolarHBondContact ND1-O 2.84Å; V136-I146 HydrophobicContact CG1-CB 4.22Å; V136-I146 HydrophobicContact CG1-CG2 4.45Å; V136-H167 HydrophobicContact CG2-CB 4.31Å; V136-E168 PolarHBondContact N-OE1 2.97Å; V136-N173 HydrophobicContact CG2-CB 4.27Å; V136-F178 HydrophobicContact CB-CB 3.96Å; V136-F178 HydrophobicContact CB-CD1 4.39Å; V136-F178 HydrophobicContact CB-CD2 3.78Å; V136-F178 HydrophobicContact CB-CE2 4.32Å; V136-F178 HydrophobicContact CB-CG 3.79Å; V136-F178 HydrophobicContact CG1-CD1 4.41Å; V136-F178 HydrophobicContact CG1-CD2 3.69Å; V136-F178 HydrophobicContact CG1-CE1 4.44Å; V136-F178 HydrophobicContact CG1-CE2 3.69Å; V136-F178 HydrophobicContact CG1-CG 4.03Å; V136-F178 HydrophobicContact CG1-CZ 4.08Å; V136-F178 HydrophobicContact CG2-CB 4.11Å; V136-F178 HydrophobicContact CG2-CD1 4.28Å; V136-F178 HydrophobicContact CG2-CG 4.06Å; V136-F198 HydrophobicContact CG1-CZ 3.89Å; V136-F198 HydrophobicContact CG2-CZ 4.34Å
137D90.5Very high91.6Very high0 Ų018 Ų180%09%0.092CC..SBendtrans67.6165.1-177.1-57.9-42.7000114.5H108 G139 S142 H167 N173 Y176 G177 F178H108-D137 CarbonylContact C-O 3.35Å; H108-D137 VanDerWaalsContact CA-O 3.3Å; H108-D137 WeakPolarHBondContact CA-O 3.49Å; H108-D137 WeakPolarHBondContact CB-O 3.36Å; H108-D137 VanDerWaalsContact O-O 3.08Å; D137-G139 PolarHBondContact O-N 3.05Å; D137-S142 PolarHBondContact N-OG 2.99Å; D137-H167 WeakPolarHBondContact CB-ND1 3.28Å; D137-H167 IonicContact OD2-CE1 3.47Å; D137-H167 IonicContact OD2-CG 3.57Å; D137-H167 IonicContact OD2-ND1 3.13Å; D137-H167 PolarHBondContact OD2-ND1 3.26Å; D137-N173 WeakPolarHBondContact OD2-CA 3.21Å; D137-Y176 WeakPolarHBondContact CB-O 3.31Å; D137-Y176 VanDerWaalsContact OD1-C 3.27Å; D137-G177 PolarHBondContact OD1-N 3.22Å; D137-F178 WeakPolarHBondContact OD1-CB 3.5Å; D137-F178 PolarHBondContact OD1-N 3.24Å
138R84.4Confident92Very high99 Ų9916.8 Ų16.837%0.3749%0.085SC..SBendtrans64.2-25.2176-50.8-67-166.6111.12.5117H108 Y176 Y314H108-R138 HydrophobicContact CB-CB 4.14Å; R138-Y176 PolarHBondContact N-O 3.17Å; R138-Y314 HydrophobicContact CB-CE2 3.94Å; R138-Y314 HydrophobicContact CG-CE2 4.02Å
139G79.5Confident92.1Very high19 Ų1914.1 Ų14.120%0.1967%0.074CC..SBendtrans-105.5164.9171.100000112.7H108 D137H108-G139 WeakPolarHBondContact O-CA 3.14Å; H108-G139 PolarHBondContact O-N 2.89Å; D137-G139 PolarHBondContact O-N 3.05Å
140C79.7Confident92.1Very high75 Ų7514.1 Ų14.151%0.5077%0.074SC..SBendtrans-85.9-3.1-173.7-46.90000114.7
141H88.8Confident92Very high57 Ų5714.1 Ų14.126%0.2647%0.074SC..  trans-132.944.1-171.4-60.4-65.1000111.9G109 Y112 I143 E144 V145G109-H141 CarbonylContact O-C 3.43Å; G109-H141 WeakPolarHBondContact O-CB 3.34Å; G109-H141 PolarHBondContact O-N 3.25Å; G109-H141 VanDerWaalsContact O-N 3.15Å; Y112-H141 AromaticContact CE2-CD2 3.91Å; Y112-H141 AromaticContact CE2-NE2 3.63Å; H141-I143 VanDerWaalsContact C-N 3.31Å; H141-I143 PolarHBondContact O-N 3.28Å; H141-E144 VanDerWaalsContact CA-OE2 3.27Å; H141-E144 WeakPolarHBondContact CA-OE2 3.22Å; H141-E144 HydrophobicContact CB-CB 4.31Å; H141-E144 WeakPolarHBondContact CB-OE2 3.46Å; H141-E144 IonicContact ND1-OE1 3.8Å; H141-E144 IonicContact ND1-OE2 3.87Å; H141-E144 PolarHBondContact O-N 2.7Å; H141-V145 WeakPolarHBondContact O-CG2 3.32Å; H141-V145 PolarHBondContact O-N 3.05Å
142S92.5Very high91.8Very high1 Ų114.4 Ų14.41%0.0078%0.076CC..Hα-helixtrans-63-39.5-177.3-50.30000111.4D137 V145 I146 E181D137-S142 PolarHBondContact N-OG 2.99Å; S142-V145 PolarHBondContact O-N 3.29Å; S142-I146 VanDerWaalsContact O-CG2 3.32Å; S142-I146 WeakPolarHBondContact O-CG2 3.39Å; S142-I146 PolarHBondContact O-N 2.94Å; S142-E181 WeakPolarHBondContact CA-OE2 3.47Å; S142-E181 WeakPolarHBondContact CB-OE2 3.22Å; S142-E181 PolarHBondContact N-OE1 3.45Å; S142-E181 PolarHBondContact N-OE2 3.2Å; S142-E181 PolarHBondContact OG-OE2 2.93Å
143I92.4Very high91.7Very high3 Ų314.4 Ų14.42%0.0158%0.076CC..Hα-helixtrans-63.3-44.2178.2-62.8180000110.5I77 H141 I146 L147 F178 E181 R185 Y186I77-I143 HydrophobicContact CD1-CG2 4.42Å; H141-I143 VanDerWaalsContact C-N 3.31Å; H141-I143 PolarHBondContact O-N 3.28Å; I143-I146 WeakPolarHBondContact O-CG2 3.36Å; I143-L147 WeakPolarHBondContact O-CB 3.46Å; I143-L147 PolarHBondContact O-N 3.32Å; I143-F178 HydrophobicContact CG1-CE2 4.12Å; I143-E181 HydrophobicContact CD1-CG 4.09Å; I143-E181 HydrophobicContact CG1-CG 4.11Å; I143-E181 WeakPolarHBondContact CG1-OE1 3.28Å; I143-E181 PolarHBondContact N-OE1 3.25Å; I143-E181 VanDerWaalsContact N-OE1 3.12Å; I143-R185 HydrophobicContact CD1-CB 3.83Å; I143-R185 HydrophobicContact CD1-CG 4.23Å; I143-Y186 HydrophobicContact CD1-CD2 3.75Å; I143-Y186 HydrophobicContact CD1-CE2 3.81Å; I143-Y186 HydrophobicContact CG2-CE2 4.25Å
144E92.1Very high91.5Very high40 Ų4014.6 Ų14.619%0.1878%0.077CC..Hα-helixtrans-66.4-40178.8-67.883.7171.500112.4M66 Y111 H141 M148 R185M66-E144 HydrophobicContact CE-CB 4.28Å; M66-E144 WeakPolarHBondContact CE-O 3.4Å; Y111-E144 HydrophobicContact CD2-CB 3.56Å; Y111-E144 HydrophobicContact CE2-CB 3.96Å; Y111-E144 HydrophobicContact CG-CB 3.88Å; H141-E144 VanDerWaalsContact CA-OE2 3.27Å; H141-E144 WeakPolarHBondContact CA-OE2 3.22Å; H141-E144 HydrophobicContact CB-CB 4.31Å; H141-E144 WeakPolarHBondContact CB-OE2 3.46Å; H141-E144 IonicContact ND1-OE1 3.8Å; H141-E144 IonicContact ND1-OE2 3.87Å; H141-E144 PolarHBondContact O-N 2.7Å; E144-M148 VanDerWaalsContact O-CB 3.3Å; E144-M148 WeakPolarHBondContact O-CB 3.38Å; E144-M148 PolarHBondContact O-N 3.07Å; E144-R185 IonicContact OE1-CZ 3.46Å; E144-R185 VanDerWaalsContact OE1-CZ 3.22Å; E144-R185 IonicContact OE1-NH1 2.77Å; E144-R185 PolarHBondContact OE1-NH1 3.12Å; E144-R185 IonicContact OE1-NH2 2.78Å; E144-R185 PolarHBondContact OE1-NH2 3.23Å; E144-R185 IonicContact OE2-CZ 2.72Å; E144-R185 IonicContact OE2-NH1 2.57Å; E144-R185 PolarHBondContact OE2-NH1 3.3Å; E144-R185 IonicContact OE2-NH2 2.64Å
145V93.2Very high91.2Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-61.3-55.3176.6169.40000110.5L114 Y135 H141 S142 L147 M148 M149L114-V145 HydrophobicContact CD2-CG1 4.06Å; L114-V145 HydrophobicContact CD2-CG2 4.42Å; Y135-V145 WeakPolarHBondContact O-CG1 3.1Å; H141-V145 WeakPolarHBondContact O-CG2 3.32Å; H141-V145 PolarHBondContact O-N 3.05Å; S142-V145 PolarHBondContact O-N 3.29Å; V145-L147 VanDerWaalsContact C-N 3.35Å; V145-L147 PolarHBondContact O-N 2.9Å; V145-M148 PolarHBondContact O-N 3.48Å; V145-M149 HydrophobicContact CG1-CE 3.88Å; V145-M149 HydrophobicContact CG1-SD 4.43Å; V145-M149 WeakPolarHBondContact O-CG 3.13Å; V145-M149 PolarHBondContact O-N 2.9Å; V145-M149 VanDerWaalsContact O-N 3.12Å
146I95.3Very high91Very high0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-65.7-40-177.3-168.757.3000111.4Y135 V136 S142 I143 M148 M149 L150 F178 F194 M197 F198Y135-I146 HydrophobicContact CD2-CD1 3.72Å; Y135-I146 HydrophobicContact CG-CD1 4.33Å; V136-I146 HydrophobicContact CG1-CB 4.22Å; V136-I146 HydrophobicContact CG1-CG2 4.45Å; S142-I146 VanDerWaalsContact O-CG2 3.32Å; S142-I146 WeakPolarHBondContact O-CG2 3.39Å; S142-I146 PolarHBondContact O-N 2.94Å; I143-I146 WeakPolarHBondContact O-CG2 3.36Å; I146-M148 VanDerWaalsContact C-N 3.34Å; I146-M148 PolarHBondContact O-N 3.48Å; I146-M149 WeakPolarHBondContact O-CB 3.45Å; I146-M149 PolarHBondContact O-N 2.95Å; I146-L150 HydrophobicContact CG1-CD1 4.46Å; I146-L150 HydrophobicContact CG1-CG 4.46Å; I146-L150 WeakPolarHBondContact O-CG 3.4Å; I146-L150 PolarHBondContact O-N 2.8Å; I146-F178 HydrophobicContact CG2-CE2 4.35Å; I146-F178 HydrophobicContact CG2-CZ 4.46Å; I146-F194 HydrophobicContact CG1-CE1 4.41Å; I146-F194 HydrophobicContact CG2-CD1 4.28Å; I146-F194 HydrophobicContact CG2-CE1 3.7Å; I146-F194 HydrophobicContact CG2-CZ 4.02Å; I146-M197 HydrophobicContact CD1-CE 4.05Å; I146-M197 HydrophobicContact CG1-CE 3.83Å; I146-F198 HydrophobicContact CD1-CE1 3.87Å; I146-F198 HydrophobicContact CG1-CE1 3.91Å; I146-F198 HydrophobicContact CG1-CZ 4.29Å
147L94.4Very high90.9Very high2 Ų218.6 Ų18.61%0.0110%0.097CC..Hα-helixtrans-63.6-40.4179.1-173.358.9000111.7L62 M66 I72 I77 T80 I143 V145 M149 L150 V151L62-L147 HydrophobicContact CD2-CD1 4.08Å; L62-L147 HydrophobicContact CD2-CD2 4.38Å; L62-L147 HydrophobicContact CD2-CG 4.37Å; M66-L147 HydrophobicContact CE-CB 4.13Å; M66-L147 HydrophobicContact CE-CD2 4.46Å; M66-L147 HydrophobicContact CE-CG 4.32Å; M66-L147 HydrophobicContact SD-CD2 4.26Å; M66-L147 HydrophobicContact SD-CG 4.09Å; I72-L147 HydrophobicContact CD1-CD2 3.47Å; I72-L147 VanDerWaalsContact CD1-CD2 3.47Å; I72-L147 HydrophobicContact CG2-CD2 4.26Å; I77-L147 HydrophobicContact CG1-CD2 4.2Å; I77-L147 HydrophobicContact CG2-CD1 4.15Å; T80-L147 HydrophobicContact CG2-CD1 3.89Å; I143-L147 WeakPolarHBondContact O-CB 3.46Å; I143-L147 PolarHBondContact O-N 3.32Å; V145-L147 VanDerWaalsContact C-N 3.35Å; V145-L147 PolarHBondContact O-N 2.9Å; L147-M149 VanDerWaalsContact C-N 3.32Å; L147-M149 PolarHBondContact O-N 2.73Å; L147-L150 PolarHBondContact O-N 3.39Å; L147-V151 WeakPolarHBondContact O-CB 3.35Å; L147-V151 VanDerWaalsContact O-CG2 3.26Å; L147-V151 WeakPolarHBondContact O-CG2 3.34Å; L147-V151 PolarHBondContact O-N 3.49Å
148M93.4Very high90.9Very high0 Ų024 Ų240%013%0.126CC..Hα-helixtrans-64.3-39.9176.8-173.8155.560.800111.4L63 M66 Y111 L114 L115 F118 E144 V145 I146 V151 Y152L63-M148 HydrophobicContact CD1-CG 4.27Å; M66-M148 HydrophobicContact CE-CB 3.65Å; M66-M148 HydrophobicContact SD-CB 4.31Å; Y111-M148 HydrophobicContact CD2-CE 3.74Å; Y111-M148 HydrophobicContact CE2-CE 3.41Å; Y111-M148 VanDerWaalsContact CE2-CE 3.41Å; Y111-M148 HydrophobicContact CE2-SD 3.82Å; L114-M148 HydrophobicContact CB-CE 4.4Å; L114-M148 HydrophobicContact CD2-CE 3.43Å; L114-M148 VanDerWaalsContact CD2-CE 3.43Å; L114-M148 HydrophobicContact CG-CE 3.75Å; L115-M148 HydrophobicContact CD2-CE 3.64Å; L115-M148 HydrophobicContact CD2-SD 3.77Å; L115-M148 HydrophobicContact CG-CE 4.35Å; F118-M148 HydrophobicContact CE2-CE 3.97Å; F118-M148 HydrophobicContact CE2-SD 4.33Å; E144-M148 VanDerWaalsContact O-CB 3.3Å; E144-M148 WeakPolarHBondContact O-CB 3.38Å; E144-M148 PolarHBondContact O-N 3.07Å; V145-M148 PolarHBondContact O-N 3.48Å; I146-M148 VanDerWaalsContact C-N 3.34Å; I146-M148 PolarHBondContact O-N 3.48Å; M148-V151 PolarHBondContact O-N 3.2Å; M148-Y152 HydrophobicContact CG-CD2 3.77Å; M148-Y152 HydrophobicContact CG-CE2 3.56Å; M148-Y152 VanDerWaalsContact O-CD2 3.26Å; M148-Y152 WeakPolarHBondContact O-CD2 3.29Å; M148-Y152 PolarHBondContact O-N 3.3Å; M148-Y152 HydrophobicContact SD-CE2 4.07Å
149M94.4Very high91.2Very high0 Ų021.7 Ų21.70%012%0.121CC..Hα-helixtrans-62.2-44.3175-70.5-175.5178.700112.1T107 L114 F131 Y135 V145 I146 L147 Y152 K153 F160 I162T107-M149 HydrophobicContact CG2-CE 4.33Å; L114-M149 HydrophobicContact CD2-CE 4.19Å; F131-M149 HydrophobicContact CD1-CE 3.46Å; F131-M149 VanDerWaalsContact CD1-CE 3.46Å; F131-M149 HydrophobicContact CE1-CE 3.68Å; F131-M149 HydrophobicContact CG-CE 3.94Å; F131-M149 HydrophobicContact CZ-CE 4.31Å; Y135-M149 HydrophobicContact CD1-CE 3.44Å; Y135-M149 VanDerWaalsContact CD1-CE 3.44Å; Y135-M149 HydrophobicContact CD1-SD 3.39Å; Y135-M149 WeakPolarHBondContact CD1-SD 3.26Å; Y135-M149 HydrophobicContact CD2-SD 3.89Å; Y135-M149 HydrophobicContact CE1-CE 3.86Å; Y135-M149 HydrophobicContact CE1-SD 3.7Å; Y135-M149 HydrophobicContact CE2-SD 4.1Å; Y135-M149 HydrophobicContact CG-CE 4.04Å; Y135-M149 HydrophobicContact CG-SD 3.48Å; V145-M149 HydrophobicContact CG1-CE 3.88Å; V145-M149 HydrophobicContact CG1-SD 4.43Å; V145-M149 WeakPolarHBondContact O-CG 3.13Å; V145-M149 PolarHBondContact O-N 2.9Å; V145-M149 VanDerWaalsContact O-N 3.12Å; I146-M149 WeakPolarHBondContact O-CB 3.45Å; I146-M149 PolarHBondContact O-N 2.95Å; L147-M149 VanDerWaalsContact C-N 3.32Å; L147-M149 PolarHBondContact O-N 2.73Å; M149-Y152 PolarHBondContact O-N 2.92Å; M149-K153 WeakPolarHBondContact O-CB 3.32Å; M149-K153 PolarHBondContact O-N 3.01Å; M149-F160 HydrophobicContact CB-CE1 4.05Å; M149-F160 HydrophobicContact CG-CE1 4.18Å; M149-F160 HydrophobicContact CG-CZ 4.3Å; M149-I162 HydrophobicContact CB-CG2 4.23Å; M149-I162 HydrophobicContact SD-CG2 4.3Å
150L94.9Very high91.9Very high0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-64.4-43.3176.9-63.2176.4000111.7T80 I81 A84 L88 I146 L147 Y152 K153 V154 I162 F194 M197T80-L150 HydrophobicContact CG2-CB 4.15Å; I81-L150 HydrophobicContact CG1-CD1 3.99Å; A84-L150 HydrophobicContact CB-CB 4.09Å; A84-L150 HydrophobicContact CB-CD2 3.71Å; A84-L150 HydrophobicContact CB-CG 4.32Å; L88-L150 HydrophobicContact CD1-CD2 4.41Å; I146-L150 HydrophobicContact CG1-CD1 4.46Å; I146-L150 HydrophobicContact CG1-CG 4.46Å; I146-L150 WeakPolarHBondContact O-CG 3.4Å; I146-L150 PolarHBondContact O-N 2.8Å; L147-L150 PolarHBondContact O-N 3.39Å; L150-Y152 VanDerWaalsContact C-N 3.34Å; L150-Y152 PolarHBondContact O-N 3.23Å; L150-K153 PolarHBondContact O-N 3Å; L150-V154 VanDerWaalsContact O-CG2 3.3Å; L150-V154 WeakPolarHBondContact O-CG2 3.48Å; L150-V154 PolarHBondContact O-N 3.34Å; L150-I162 HydrophobicContact CD2-CD1 4.16Å; L150-F194 HydrophobicContact CD1-CE1 4.08Å; L150-M197 HydrophobicContact CD1-CE 4.06Å; L150-M197 HydrophobicContact CD2-CE 4.03Å; L150-M197 HydrophobicContact CD2-CG 4.1Å; L150-M197 HydrophobicContact CD2-SD 3.68Å; L150-M197 HydrophobicContact CG-CE 4.49Å
151V93.2Very high92.7Very high0 Ų017.9 Ų17.90%09%0.091CC..Hα-helixtrans-59.1-45.2176.8168.20000111A59 L62 L63 T80 L147 M148 V154 L155A59-V151 HydrophobicContact CB-CG1 4.17Å; A59-V151 VanDerWaalsContact O-CG1 3.3Å; A59-V151 WeakPolarHBondContact O-CG1 3.49Å; L62-V151 HydrophobicContact CB-CG2 4.38Å; L62-V151 HydrophobicContact CD2-CG2 3.82Å; L62-V151 HydrophobicContact CG-CG2 4.22Å; L63-V151 HydrophobicContact CB-CG1 3.88Å; L63-V151 HydrophobicContact CD1-CG1 3.83Å; L63-V151 HydrophobicContact CG-CG1 4.34Å; T80-V151 HydrophobicContact CG2-CG2 3.85Å; L147-V151 WeakPolarHBondContact O-CB 3.35Å; L147-V151 VanDerWaalsContact O-CG2 3.26Å; L147-V151 WeakPolarHBondContact O-CG2 3.34Å; L147-V151 PolarHBondContact O-N 3.49Å; M148-V151 PolarHBondContact O-N 3.2Å; V151-V154 PolarHBondContact O-N 3.46Å; V151-L155 HydrophobicContact CG1-CD1 3.91Å; V151-L155 WeakPolarHBondContact O-CB 3.41Å; V151-L155 WeakPolarHBondContact O-CG 3.37Å; V151-L155 PolarHBondContact O-N 2.72Å
152Y93.6Very high93.1Very high7 Ų715.3 Ų15.33%0.0278%0.079CC..Hα-helixtrans-69.6-34176.2-77.4-57.9000113.5L63 F118 W123 P124 M148 M149 L150 V154 L155 Y156 F160L63-Y152 HydrophobicContact CD1-CE1 4.37Å; L63-Y152 HydrophobicContact CD1-CE2 3.99Å; L63-Y152 HydrophobicContact CD2-CE1 3.84Å; F118-Y152 HydrophobicContact CE2-CD2 4.42Å; F118-Y152 AromaticContact CE2-CE2 3.96Å; F118-Y152 HydrophobicContact CE2-CE2 3.96Å; W123-Y152 VanDerWaalsContact CE3-OH 3.3Å; P124-Y152 HydrophobicContact CB-CD1 3.78Å; P124-Y152 HydrophobicContact CB-CE1 3.97Å; P124-Y152 HydrophobicContact CB-CG 4.3Å; P124-Y152 HydrophobicContact CG-CD1 4.06Å; P124-Y152 HydrophobicContact CG-CD2 4.39Å; P124-Y152 HydrophobicContact CG-CE1 4.14Å; P124-Y152 HydrophobicContact CG-CE2 4.46Å; P124-Y152 HydrophobicContact CG-CG 4.2Å; M148-Y152 HydrophobicContact CG-CD2 3.77Å; M148-Y152 HydrophobicContact CG-CE2 3.56Å; M148-Y152 VanDerWaalsContact O-CD2 3.26Å; M148-Y152 WeakPolarHBondContact O-CD2 3.29Å; M148-Y152 PolarHBondContact O-N 3.3Å; M148-Y152 HydrophobicContact SD-CE2 4.07Å; M149-Y152 PolarHBondContact O-N 2.92Å; L150-Y152 VanDerWaalsContact C-N 3.34Å; L150-Y152 PolarHBondContact O-N 3.23Å; Y152-V154 VanDerWaalsContact C-N 3.31Å; Y152-V154 PolarHBondContact O-N 2.85Å; Y152-L155 HydrophobicContact CD1-CD1 4.44Å; Y152-L155 PolarHBondContact O-N 3.34Å; Y152-Y156 AromaticContact CD1-CD2 3.9Å; Y152-Y156 HydrophobicContact CD1-CD2 3.9Å; Y152-Y156 AromaticContact CD1-CE2 3.78Å; Y152-Y156 HydrophobicContact CD1-CE2 3.78Å; Y152-Y156 HydrophobicContact CE1-CE2 4.13Å; Y152-Y156 PolarHBondContact O-N 3.16Å; Y152-F160 HydrophobicContact CD2-CE2 4.29Å; Y152-F160 HydrophobicContact CD2-CZ 4.47Å; Y152-F160 HydrophobicContact CG-CD2 4.37Å; Y152-F160 HydrophobicContact CG-CE2 4.31Å
153K93.8Very high93.3Very high0 Ų015.3 Ų15.30%08%0.079CC..Hα-helixtrans-63.5-37.1171.8-179.464.1-177.4176.80111.7I87 L88 D91 M149 L150 P157 F160I87-K153 HydrophobicContact CG2-CD 4.38Å; I87-K153 HydrophobicContact CG2-CG 4.31Å; L88-K153 HydrophobicContact CD2-CD 4.44Å; L88-K153 HydrophobicContact CD2-CG 4.22Å; D91-K153 IonicContact OD1-NZ 2.95Å; D91-K153 PolarHBondContact OD1-NZ 2.94Å; D91-K153 VanDerWaalsContact OD2-CE 3.24Å; D91-K153 WeakPolarHBondContact OD2-CE 3.29Å; D91-K153 IonicContact OD2-NZ 2.63Å; D91-K153 PolarHBondContact OD2-NZ 3.22Å; M149-K153 WeakPolarHBondContact O-CB 3.32Å; M149-K153 PolarHBondContact O-N 3.01Å; L150-K153 PolarHBondContact O-N 3Å; K153-P157 PolarHBondContact NZ-O 2.87Å; K153-P157 WeakPolarHBondContact O-CA 3.32Å; K153-F160 HydrophobicContact CB-CD1 4.49Å; K153-F160 WeakPolarHBondContact CD-O 3.46Å
154V91.7Very high93.5Very high4 Ų415.3 Ų15.32%0.0248%0.079CC..Hα-helixtrans-70.3-42.6175.7173.50000111.5E55 A59 A84 I87 L150 V151 Y152E55-V154 HydrophobicContact CB-CG1 4.22Å; A59-V154 HydrophobicContact CB-CB 4.24Å; A59-V154 HydrophobicContact CB-CG1 3.85Å; A84-V154 HydrophobicContact CB-CG2 3.98Å; I87-V154 HydrophobicContact CD1-CB 4.25Å; I87-V154 HydrophobicContact CD1-CG1 4.35Å; I87-V154 HydrophobicContact CD1-CG2 4.12Å; L150-V154 VanDerWaalsContact O-CG2 3.3Å; L150-V154 WeakPolarHBondContact O-CG2 3.48Å; L150-V154 PolarHBondContact O-N 3.34Å; V151-V154 PolarHBondContact O-N 3.46Å; Y152-V154 VanDerWaalsContact C-N 3.31Å; Y152-V154 PolarHBondContact O-N 2.85Å
155L88.9Confident93.6Very high11 Ų1113.4 Ų13.46%0.0587%0.07CC..Hα-helixtrans-70.3-39.7179.2-72.2170.9000112.9L49 E56 A59 A60 L63 V151 Y152L49-L155 HydrophobicContact CD2-CD1 4.11Å; L49-L155 HydrophobicContact CD2-CD2 4.17Å; E56-L155 HydrophobicContact CB-CD2 4.12Å; E56-L155 VanDerWaalsContact O-CD2 3.29Å; E56-L155 WeakPolarHBondContact O-CD2 3.33Å; A59-L155 HydrophobicContact CB-CD1 4.48Å; A59-L155 HydrophobicContact CB-CD2 3.87Å; A59-L155 HydrophobicContact CB-CG 3.82Å; A60-L155 HydrophobicContact CB-CD2 4.25Å; L63-L155 HydrophobicContact CD2-CD1 4.34Å; V151-L155 HydrophobicContact CG1-CD1 3.91Å; V151-L155 WeakPolarHBondContact O-CB 3.41Å; V151-L155 WeakPolarHBondContact O-CG 3.37Å; V151-L155 PolarHBondContact O-N 2.72Å; Y152-L155 HydrophobicContact CD1-CD1 4.44Å; Y152-L155 PolarHBondContact O-N 3.34Å
156Y90.8Very high93.6Very high37 Ų3713.5 Ų13.515%0.1457%0.07CC..  trans-135.164.9-170.8-46.9-59.5000111.7L49 P124 P125 Y152 N158 D159 F160L49-Y156 WeakPolarHBondContact CD2-OH 3.42Å; P124-Y156 HydrophobicContact CB-CD2 3.92Å; P124-Y156 HydrophobicContact CB-CE2 4.12Å; P125-Y156 HydrophobicContact CB-CD1 3.68Å; P125-Y156 HydrophobicContact CB-CD2 4.07Å; P125-Y156 HydrophobicContact CB-CE1 3.81Å; P125-Y156 HydrophobicContact CB-CE2 4.17Å; P125-Y156 HydrophobicContact CB-CG 3.83Å; P125-Y156 VanDerWaalsContact CD-CZ 3.48Å; P125-Y156 HydrophobicContact CG-CD1 4.05Å; P125-Y156 HydrophobicContact CG-CE1 3.64Å; P125-Y156 HydrophobicContact CG-CE2 4.27Å; Y152-Y156 AromaticContact CD1-CD2 3.9Å; Y152-Y156 HydrophobicContact CD1-CD2 3.9Å; Y152-Y156 AromaticContact CD1-CE2 3.78Å; Y152-Y156 HydrophobicContact CD1-CE2 3.78Å; Y152-Y156 HydrophobicContact CE1-CE2 4.13Å; Y152-Y156 PolarHBondContact O-N 3.16Å; Y156-N158 PolarHBondContact O-N 3.47Å; Y156-N158 VanDerWaalsContact O-N 3.11Å; Y156-D159 PolarHBondContact O-N 3.37Å; Y156-F160 PolarHBondContact O-N 3.23Å
157P90.8Very high93.5Very high35 Ų3513.9 Ų13.923%0.2277%0.072CC..THydrogen-bonded Turntrans-60.3-27.3-170.623.2-35.2000114.8I87 K153I87-P157 HydrophobicContact CG2-CB 3.59Å; K153-P157 PolarHBondContact NZ-O 2.87Å; K153-P157 WeakPolarHBondContact O-CA 3.32Å
158N90.4Very high93.5Very high114 Ų11413.8 Ų13.861%0.617%0.072SC*.THydrogen-bonded Turntrans-94.9-1.7-179.4-62.3-34.7000113.8R128 Y156 F161R128-N158 PolarHBondContact NH2-O 3.16Å; Y156-N158 PolarHBondContact O-N 3.47Å; Y156-N158 VanDerWaalsContact O-N 3.11Å; N158-F161 VanDerWaalsContact O-CE2 3.32Å; N158-F161 WeakPolarHBondContact O-CE2 3.49Å; N158-F161 WeakPolarHBondContact O-CZ 3.21Å
159D91.2Very high93.5Very high50 Ų5014.2 Ų14.227%0.2677%0.074SC..THydrogen-bonded Turntrans-126.5-18.9-173.9-61.5-60.8000113.3R128 Y129 Y156R128-D159 CarbonylContact C-O 3.57Å; R128-D159 VanDerWaalsContact CA-O 3.23Å; R128-D159 WeakPolarHBondContact CA-O 3.39Å; R128-D159 WeakPolarHBondContact CD-OD1 3.38Å; R128-D159 HydrophobicContact CG-CB 4.03Å; R128-D159 IonicContact CZ-OD1 3.4Å; R128-D159 IonicContact NE-OD1 2.72Å; R128-D159 PolarHBondContact NE-OD1 3.44Å; Y129-D159 PolarHBondContact N-O 3.05Å; Y156-D159 PolarHBondContact O-N 3.37Å
160F94.2Very high93.3Very high0 Ų018.4 Ų18.40%010%0.095CC..EExtended strand (participates in β ladder)trans-120107.6178.5-159.3-86.3000110.1F118 P124 Y129 F131 M149 Y152 K153 Y156 I162F118-F160 HydrophobicContact CE1-CE2 4.24Å; F118-F160 HydrophobicContact CZ-CE2 4.04Å; F118-F160 HydrophobicContact CZ-CZ 4.24Å; P124-F160 HydrophobicContact CB-CD2 4.19Å; P124-F160 HydrophobicContact CG-CD2 3.78Å; P124-F160 HydrophobicContact CG-CE2 3.83Å; Y129-F160 HydrophobicContact CD2-CD2 4.25Å; Y129-F160 HydrophobicContact CD2-CE2 4.21Å; Y129-F160 HydrophobicContact CG-CD2 4.48Å; Y129-F160 HydrophobicContact CG-CE2 4.29Å; F131-F160 HydrophobicContact CD2-CE1 4.16Å; F131-F160 HydrophobicContact CD2-CE2 4.37Å; F131-F160 AromaticContact CD2-CZ 3.78Å; F131-F160 HydrophobicContact CD2-CZ 3.78Å; F131-F160 HydrophobicContact CE2-CE1 4.27Å; F131-F160 AromaticContact CE2-CE2 3.77Å; F131-F160 HydrophobicContact CE2-CE2 3.77Å; F131-F160 AromaticContact CE2-CZ 3.43Å; F131-F160 HydrophobicContact CE2-CZ 3.43Å; F131-F160 VanDerWaalsContact CE2-CZ 3.43Å; F131-F160 HydrophobicContact CZ-CZ 4.39Å; M149-F160 HydrophobicContact CB-CE1 4.05Å; M149-F160 HydrophobicContact CG-CE1 4.18Å; M149-F160 HydrophobicContact CG-CZ 4.3Å; Y152-F160 HydrophobicContact CD2-CE2 4.29Å; Y152-F160 HydrophobicContact CD2-CZ 4.47Å; Y152-F160 HydrophobicContact CG-CD2 4.37Å; Y152-F160 HydrophobicContact CG-CE2 4.31Å; K153-F160 HydrophobicContact CB-CD1 4.49Å; K153-F160 WeakPolarHBondContact CD-O 3.46Å; Y156-F160 PolarHBondContact O-N 3.23Å; F160-I162 HydrophobicContact CD1-CG2 4.09Å; F160-I162 HydrophobicContact CE1-CG2 3.71Å
161F96.5Very high93Very high15 Ų1522.5 Ų22.57%0.06612%0.124CC..EExtended strand (participates in β ladder)trans-112.2137-176.3-56.3-86.5000110.5T95 I97 I101 Y129 L130 F131 N158T95-F161 HydrophobicContact CG2-CD1 3.98Å; T95-F161 HydrophobicContact CG2-CE1 4.13Å; I97-F161 HydrophobicContact CD1-CB 3.89Å; I97-F161 HydrophobicContact CD1-CD1 3.94Å; I97-F161 HydrophobicContact CD1-CD2 3.82Å; I97-F161 HydrophobicContact CD1-CE1 4.42Å; I97-F161 HydrophobicContact CD1-CE2 4.31Å; I97-F161 HydrophobicContact CD1-CG 3.61Å; I97-F161 HydrophobicContact CG1-CD1 4.14Å; I97-F161 HydrophobicContact CG1-CD2 4.26Å; I97-F161 HydrophobicContact CG1-CE1 4.13Å; I97-F161 HydrophobicContact CG1-CE2 4.25Å; I97-F161 HydrophobicContact CG1-CG 4.2Å; I97-F161 HydrophobicContact CG1-CZ 4.17Å; I97-F161 HydrophobicContact CG2-CD2 4.1Å; I97-F161 HydrophobicContact CG2-CE2 3.68Å; I97-F161 HydrophobicContact CG2-CZ 4.11Å; I101-F161 HydrophobicContact CD1-CD2 3.91Å; I101-F161 HydrophobicContact CD1-CE2 4.3Å; Y129-F161 WeakPolarHBondContact O-CD2 3.4Å; Y129-F161 PolarHBondContact O-N 2.81Å; L130-F161 WeakPolarHBondContact CA-O 3.46Å; L130-F161 HydrophobicContact CD1-CB 3.75Å; F131-F161 PolarHBondContact N-O 3.48Å; N158-F161 VanDerWaalsContact O-CE2 3.32Å; N158-F161 WeakPolarHBondContact O-CE2 3.49Å; N158-F161 WeakPolarHBondContact O-CZ 3.21Å
162I96.6Very high92.9Very high2 Ų223.5 Ų23.51%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-130.6130.317955175.2000109L88 F131 Y135 M149 L150 F160 L201 P202L88-I162 HydrophobicContact CD2-CD1 4.12Å; L88-I162 HydrophobicContact CD2-CG1 3.91Å; F131-I162 HydrophobicContact CB-CG2 4.23Å; Y135-I162 HydrophobicContact CE2-CB 4.2Å; Y135-I162 WeakPolarHBondContact OH-CA 3.25Å; Y135-I162 WeakPolarHBondContact OH-CB 3.47Å; M149-I162 HydrophobicContact CB-CG2 4.23Å; M149-I162 HydrophobicContact SD-CG2 4.3Å; L150-I162 HydrophobicContact CD2-CD1 4.16Å; F160-I162 HydrophobicContact CD1-CG2 4.09Å; F160-I162 HydrophobicContact CE1-CG2 3.71Å; I162-L201 HydrophobicContact CD1-CD2 3.62Å; I162-L201 HydrophobicContact CG1-CD2 3.74Å; I162-P202 WeakPolarHBondContact O-CD 3.13Å
163L96.9Very high92.8Very high1 Ų123.1 Ų23.11%0.00513%0.127CC..  trans-104.5166.3175.5-59-176000110.7L130 F131 L132 Y135 P202 A205L130-L163 HydrophobicContact CD1-CD1 4.04Å; L130-L163 HydrophobicContact CD1-CD2 4.28Å; L130-L163 HydrophobicContact CD1-CG 3.81Å; F131-L163 PolarHBondContact O-N 2.7Å; L132-L163 HydrophobicContact CD2-CD1 3.92Å; Y135-L163 VanDerWaalsContact CE2-O 3.29Å; Y135-L163 WeakPolarHBondContact CE2-O 3.37Å; Y135-L163 VanDerWaalsContact CZ-O 3.29Å; Y135-L163 PolarHBondContact OH-N 2.92Å; Y135-L163 PolarHBondContact OH-O 2.98Å; L163-P202 CarbonylContact C-O 3.58Å; L163-P202 WeakPolarHBondContact CA-O 3.44Å; L163-P202 HydrophobicContact CD2-CB 3.86Å; L163-A205 HydrophobicContact CD1-CB 4.08Å; L163-A205 HydrophobicContact CD2-CB 4.19Å
164R96.3Very high92.6Very high3 Ų330.2 Ų30.21%0.01115%0.154CC..  trans-84.5134.3176.6-159.9172.1-175.1172.27.3111.2E168 F198 D199 L201 P202 I235 L247R164-E168 HydrophobicContact CG-CB 3.9Å; R164-E168 PolarHBondContact NE-O 3.29Å; R164-E168 PolarHBondContact NH2-O 3.36Å; R164-E168 VanDerWaalsContact NH2-O 3.15Å; R164-F198 WeakPolarHBondContact CD-O 3.2Å; R164-F198 PolarHBondContact NE-O 3.48Å; R164-F198 PolarHBondContact NH1-O 2.77Å; R164-D199 IonicContact CZ-OD1 3.29Å; R164-D199 IonicContact NH1-OD1 3.04Å; R164-D199 PolarHBondContact NH1-OD1 3.31Å; R164-D199 IonicContact NH2-OD1 3.98Å; R164-D199 PolarHBondContact NH2-OD1 3.5Å; R164-L201 HydrophobicContact CB-CB 3.79Å; R164-L201 HydrophobicContact CB-CD1 4.3Å; R164-L201 HydrophobicContact CG-CB 4.17Å; R164-L201 HydrophobicContact CG-CD1 4.21Å; R164-P202 PolarHBondContact N-O 3.03Å; R164-I235 PolarHBondContact NH1-O 2.98Å; R164-L247 WeakPolarHBondContact O-CD2 3.3Å
165G94.9Very high92.4Very high0 Ų035 Ų350%018%0.183CC..  trans-105.1-177.5166.500000113.2D134 E168 H215D134-G165 WeakPolarHBondContact OD1-CA 3.2Å; G165-E168 VanDerWaalsContact C-OE2 3.3Å; G165-E168 WeakPolarHBondContact CA-OE2 3.35Å; G165-E168 PolarHBondContact N-OE2 3.08Å; G165-E168 PolarHBondContact O-N 3.05Å; G165-H215 VanDerWaalsContact CA-CD2 3.47Å; G165-H215 WeakPolarHBondContact CA-CD2 3.37Å; G165-H215 VanDerWaalsContact CA-CG 3.46Å
166N93.6Very high92.1Very high3 Ų339.6 Ų39.62%0.01620%0.2CC..SBendtrans-78.2-23.3-179.468.6-82.9000112.3D134 E168 C169 I172 H215 L247 W248D134-N166 PolarHBondContact OD1-N 3.45Å; D134-N166 PolarHBondContact OD1-OD1 3.34Å; D134-N166 PolarHBondContact OD2-OD1 3.05Å; D134-N166 VanDerWaalsContact OD2-OD1 3.08Å; N166-E168 VanDerWaalsContact C-N 3.31Å; N166-C169 VanDerWaalsContact O-CB 3.28Å; N166-C169 WeakPolarHBondContact O-CB 3.45Å; N166-C169 PolarHBondContact O-N 3.35Å; N166-I172 WeakPolarHBondContact O-CB 3.48Å; N166-I172 WeakPolarHBondContact O-CG1 3.11Å; N166-H215 PolarHBondContact N-CD2 2.86Å; N166-H215 VanDerWaalsContact N-CD2 3.29Å; N166-H215 PolarHBondContact OD1-CD2 3.4Å; N166-H215 PolarHBondContact OD1-NE2 2.89Å; N166-L247 HydrophobicContact CB-CB 4.27Å; N166-W248 HydrophobicContact CB-CD2 4.14Å; N166-W248 HydrophobicContact CB-CZ2 3.89Å
167H94Very high91.8Very high8 Ų839 Ų394%0.03721%0.206CC..THydrogen-bonded Turntrans-75.2-20172.2-78.4-96.8000112.6H108 D134 V136 D137 C169 I172 N173 Y176H108-H167 AromaticContact CE1-CD2 3.52Å; H108-H167 AromaticContact CE1-CG 3.83Å; H108-H167 AromaticContact CE1-NE2 3.69Å; D134-H167 HydrophobicContact CB-CB 4.43Å; D134-H167 VanDerWaalsContact CG-CD2 3.47Å; D134-H167 WeakPolarHBondContact OD1-CB 3.32Å; D134-H167 IonicContact OD1-CD2 3.26Å; D134-H167 IonicContact OD1-CG 2.62Å; D134-H167 PolarHBondContact OD1-N 2.84Å; D134-H167 IonicContact OD2-CD2 2.68Å; D134-H167 PolarHBondContact OD2-CD2 3.47Å; V136-H167 HydrophobicContact CG2-CB 4.31Å; D137-H167 WeakPolarHBondContact CB-ND1 3.28Å; D137-H167 IonicContact OD2-CE1 3.47Å; D137-H167 IonicContact OD2-CG 3.57Å; D137-H167 IonicContact OD2-ND1 3.13Å; D137-H167 PolarHBondContact OD2-ND1 3.26Å; H167-C169 PolarHBondContact O-N 3.49Å; H167-C169 VanDerWaalsContact O-N 3.1Å; H167-I172 HydrophobicContact CB-CG2 4.36Å; H167-I172 WeakPolarHBondContact ND1-CG2 3.5Å; H167-N173 WeakPolarHBondContact O-CB 3.45Å; H167-N173 PolarHBondContact O-ND2 3.45Å; H167-N173 VanDerWaalsContact O-ND2 3.12Å; H167-Y176 AromaticContact CE1-CG 3.99Å
168E94Very high91.9Very high0 Ų037.4 Ų37.40%020%0.195CC..THydrogen-bonded Turntrans-78.515.4169.3-67.169.8-134.200112.9D134 Y135 V136 R164 G165 N166 F198 L201D134-E168 WeakPolarHBondContact CA-OE1 3.49Å; D134-E168 WeakPolarHBondContact CA-OE2 3.47Å; D134-E168 PolarHBondContact N-OE2 2.62Å; Y135-E168 HydrophobicContact CD2-CG 4.22Å; Y135-E168 PolarHBondContact N-OE1 3.04Å; V136-E168 PolarHBondContact N-OE1 2.97Å; R164-E168 HydrophobicContact CG-CB 3.9Å; R164-E168 PolarHBondContact NE-O 3.29Å; R164-E168 PolarHBondContact NH2-O 3.36Å; R164-E168 VanDerWaalsContact NH2-O 3.15Å; G165-E168 VanDerWaalsContact C-OE2 3.3Å; G165-E168 WeakPolarHBondContact CA-OE2 3.35Å; G165-E168 PolarHBondContact N-OE2 3.08Å; G165-E168 PolarHBondContact O-N 3.05Å; N166-E168 VanDerWaalsContact C-N 3.31Å; E168-F198 HydrophobicContact CB-CB 4.07Å; E168-F198 HydrophobicContact CB-CD1 3.8Å; E168-F198 HydrophobicContact CB-CD2 4.19Å; E168-F198 HydrophobicContact CB-CE1 4.25Å; E168-F198 HydrophobicContact CB-CG 3.78Å; E168-F198 HydrophobicContact CG-CD1 3.55Å; E168-F198 HydrophobicContact CG-CD2 4.48Å; E168-F198 HydrophobicContact CG-CE1 3.57Å; E168-F198 HydrophobicContact CG-CE2 4.5Å; E168-F198 HydrophobicContact CG-CG 4.05Å; E168-F198 HydrophobicContact CG-CZ 4.08Å; E168-F198 WeakPolarHBondContact O-CB 3.39Å; E168-L201 HydrophobicContact CB-CD1 4.44Å; E168-L201 HydrophobicContact CG-CD1 4.19Å
169C92Very high92Very high8 Ų834.6 Ų34.65%0.05418%0.176CC..SBendtrans-99.3135.6170.4-62.80000111.3N166 H167 S171 I172 N173N166-C169 VanDerWaalsContact O-CB 3.28Å; N166-C169 WeakPolarHBondContact O-CB 3.45Å; N166-C169 PolarHBondContact O-N 3.35Å; H167-C169 PolarHBondContact O-N 3.49Å; H167-C169 VanDerWaalsContact O-N 3.1Å; C169-S171 PolarHBondContact O-N 2.91Å; C169-I172 HydrophobicContact CB-CG1 4.36Å; C169-I172 PolarHBondContact O-N 2.91Å; C169-N173 VanDerWaalsContact O-CG 3.23Å; C169-N173 PolarHBondContact O-N 3.39Å; C169-N173 PolarHBondContact O-ND2 3.03Å; C169-N173 VanDerWaalsContact O-ND2 3.12Å
170M90.6Very high91.8Very high89 Ų8935.9 Ų35.944%0.43818%0.184SC..Hα-helixtrans-55.4-36.9-178.3-174.6-178.3-78.800113.4I172 N173 R174 Y191 L192 Q195M170-I172 PolarHBondContact O-N 3.31Å; M170-N173 WeakPolarHBondContact CA-OD1 3.43Å; M170-N173 PolarHBondContact O-OD1 3.48Å; M170-R174 WeakPolarHBondContact O-CB 3.3Å; M170-R174 PolarHBondContact O-N 2.92Å; M170-Y191 WeakPolarHBondContact CG-OH 3.37Å; M170-L192 HydrophobicContact CE-CD2 4.38Å; M170-Q195 VanDerWaalsContact CA-OE1 3.32Å; M170-Q195 HydrophobicContact CE-CB 3.98Å; M170-Q195 HydrophobicContact CE-CG 3.73Å
171S88.5Confident91.7Very high86 Ų8637 Ų3760%0.60119%0.188SC*.Hα-helixtrans-64.6-26.7178.751.20000113.3C169C169-S171 PolarHBondContact O-N 2.91Å
172I91.2Very high91.4Very high20 Ų2036.2 Ų36.210%0.10319%0.185CC..Hα-helixtrans-96-55.3-176.4-57.1-52.5000110.7N166 H167 C169 M170 R174 V175 Y176 W248N166-I172 WeakPolarHBondContact O-CB 3.48Å; N166-I172 WeakPolarHBondContact O-CG1 3.11Å; H167-I172 HydrophobicContact CB-CG2 4.36Å; H167-I172 WeakPolarHBondContact ND1-CG2 3.5Å; C169-I172 HydrophobicContact CB-CG1 4.36Å; C169-I172 PolarHBondContact O-N 2.91Å; M170-I172 PolarHBondContact O-N 3.31Å; I172-R174 PolarHBondContact O-N 3.15Å; I172-V175 PolarHBondContact O-N 3.19Å; I172-Y176 HydrophobicContact CB-CD2 4.45Å; I172-Y176 HydrophobicContact CG2-CD2 3.51Å; I172-Y176 HydrophobicContact CG2-CE2 3.96Å; I172-Y176 HydrophobicContact CG2-CG 4.5Å; I172-Y176 WeakPolarHBondContact O-CD2 3Å; I172-Y176 PolarHBondContact O-N 2.85Å; I172-W248 HydrophobicContact CD1-CH2 3.6Å; I172-W248 HydrophobicContact CD1-CZ2 3.54Å; I172-W248 HydrophobicContact CG1-CH2 4.05Å; I172-W248 HydrophobicContact CG1-CZ2 3.62Å
173N92.5Very high91.1Very high0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-65.3-14.6-178.759.446.1000114.9V136 D137 H167 C169 M170 V175 F178 Y179 Y191 Q195V136-N173 HydrophobicContact CG2-CB 4.27Å; D137-N173 WeakPolarHBondContact OD2-CA 3.21Å; H167-N173 WeakPolarHBondContact O-CB 3.45Å; H167-N173 PolarHBondContact O-ND2 3.45Å; H167-N173 VanDerWaalsContact O-ND2 3.12Å; C169-N173 VanDerWaalsContact O-CG 3.23Å; C169-N173 PolarHBondContact O-N 3.39Å; C169-N173 PolarHBondContact O-ND2 3.03Å; C169-N173 VanDerWaalsContact O-ND2 3.12Å; M170-N173 WeakPolarHBondContact CA-OD1 3.43Å; M170-N173 PolarHBondContact O-OD1 3.48Å; N173-V175 VanDerWaalsContact C-N 3.33Å; N173-F178 HydrophobicContact CB-CB 3.96Å; N173-F178 HydrophobicContact CB-CD1 4.12Å; N173-F178 HydrophobicContact CB-CG 4.49Å; N173-F178 PolarHBondContact O-N 3.03Å; N173-Y179 WeakPolarHBondContact O-CB 3.23Å; N173-Y179 PolarHBondContact O-N 2.68Å; N173-Y191 WeakPolarHBondContact OD1-CE2 3.49Å; N173-Y191 PolarHBondContact OD1-OH 2.62Å; N173-Q195 VanDerWaalsContact CG-NE2 3.31Å; N173-Q195 PolarHBondContact ND2-NE2 2.79Å; N173-Q195 PolarHBondContact ND2-OE1 3.45Å; N173-Q195 VanDerWaalsContact ND2-OE1 3.13Å; N173-Q195 PolarHBondContact OD1-NE2 3.48Å; N173-Q195 VanDerWaalsContact OD1-NE2 3.12Å
174R89Confident90.6Very high148 Ų14840.5 Ų40.556%0.55821%0.214SC*.THydrogen-bonded Turntrans-73.7-24.1169.8-169170-176.7-179.10.6113.7M170 I172 Y179M170-R174 WeakPolarHBondContact O-CB 3.3Å; M170-R174 PolarHBondContact O-N 2.92Å; I172-R174 PolarHBondContact O-N 3.15Å; R174-Y179 HydrophobicContact CG-CD2 4.39Å; R174-Y179 HydrophobicContact CG-CG 4.19Å
175V87.3Confident90.3Very high104 Ų10442.4 Ų42.463%0.6322%0.221SC*.THydrogen-bonded Turntrans-104-32.5-175.3-177.70000112I172 N173I172-V175 PolarHBondContact O-N 3.19Å; N173-V175 VanDerWaalsContact C-N 3.33Å
176Y83.7Confident90.1Very high108 Ų10844.5 Ų44.542%0.42423%0.229SC..SBendtrans-101.35.3-169-70.1-78.6000116.1D137 R138 H167 I172D137-Y176 WeakPolarHBondContact CB-O 3.31Å; D137-Y176 VanDerWaalsContact OD1-C 3.27Å; R138-Y176 PolarHBondContact N-O 3.17Å; H167-Y176 AromaticContact CE1-CG 3.99Å; I172-Y176 HydrophobicContact CB-CD2 4.45Å; I172-Y176 HydrophobicContact CG2-CD2 3.51Å; I172-Y176 HydrophobicContact CG2-CE2 3.96Å; I172-Y176 HydrophobicContact CG2-CG 4.5Å; I172-Y176 WeakPolarHBondContact O-CD2 3Å; I172-Y176 PolarHBondContact O-N 2.85Å
177G83.4Confident90Very high26 Ų2645.7 Ų45.727%0.26824%0.237SC..SBendtrans131.3-26.816000000116.3D137 Y179 D180 E181D137-G177 PolarHBondContact OD1-N 3.22Å; G177-Y179 PolarHBondContact O-N 3.26Å; G177-D180 PolarHBondContact O-N 3.42Å; G177-E181 WeakPolarHBondContact O-CB 3.2Å; G177-E181 PolarHBondContact O-N 3.24Å
178F92.7Very high89.8Confident0 Ų049.4 Ų49.40%026%0.257CS..Hα-helixtrans-66.5-35.7-174.1179.7-116.5000113.4V136 D137 I143 I146 N173 E181 C182 Y191 F194 F198V136-F178 HydrophobicContact CB-CB 3.96Å; V136-F178 HydrophobicContact CB-CD1 4.39Å; V136-F178 HydrophobicContact CB-CD2 3.78Å; V136-F178 HydrophobicContact CB-CE2 4.32Å; V136-F178 HydrophobicContact CB-CG 3.79Å; V136-F178 HydrophobicContact CG1-CD1 4.41Å; V136-F178 HydrophobicContact CG1-CD2 3.69Å; V136-F178 HydrophobicContact CG1-CE1 4.44Å; V136-F178 HydrophobicContact CG1-CE2 3.69Å; V136-F178 HydrophobicContact CG1-CG 4.03Å; V136-F178 HydrophobicContact CG1-CZ 4.08Å; V136-F178 HydrophobicContact CG2-CB 4.11Å; V136-F178 HydrophobicContact CG2-CD1 4.28Å; V136-F178 HydrophobicContact CG2-CG 4.06Å; D137-F178 WeakPolarHBondContact OD1-CB 3.5Å; D137-F178 PolarHBondContact OD1-N 3.24Å; I143-F178 HydrophobicContact CG1-CE2 4.12Å; I146-F178 HydrophobicContact CG2-CE2 4.35Å; I146-F178 HydrophobicContact CG2-CZ 4.46Å; N173-F178 HydrophobicContact CB-CB 3.96Å; N173-F178 HydrophobicContact CB-CD1 4.12Å; N173-F178 HydrophobicContact CB-CG 4.49Å; N173-F178 PolarHBondContact O-N 3.03Å; F178-E181 PolarHBondContact O-N 3.4Å; F178-C182 WeakPolarHBondContact CE2-SG 3.26Å; F178-C182 WeakPolarHBondContact CZ-SG 3.43Å; F178-C182 WeakPolarHBondContact O-CB 3.43Å; F178-C182 PolarHBondContact O-N 3.45Å; F178-C182 PolarHBondContact O-SG 3.37Å; F178-C182 VanDerWaalsContact O-SG 3.34Å; F178-Y191 HydrophobicContact CD1-CD2 4.14Å; F178-Y191 HydrophobicContact CD1-CE2 4.11Å; F178-Y191 HydrophobicContact CE1-CD2 4.26Å; F178-F194 HydrophobicContact CE1-CB 3.82Å; F178-F194 HydrophobicContact CE1-CD2 4.28Å; F178-F194 HydrophobicContact CE1-CG 4.18Å; F178-F194 HydrophobicContact CZ-CB 3.89Å; F178-F194 HydrophobicContact CZ-CD1 4.31Å; F178-F194 AromaticContact CZ-CD2 3.64Å; F178-F194 HydrophobicContact CZ-CD2 3.64Å; F178-F194 HydrophobicContact CZ-CE2 4.18Å; F178-F194 AromaticContact CZ-CG 3.71Å; F178-F194 HydrophobicContact CZ-CG 3.71Å; F178-F198 HydrophobicContact CD1-CE2 4.12Å; F178-F198 AromaticContact CE1-CE2 3.56Å; F178-F198 HydrophobicContact CE1-CE2 3.56Å; F178-F198 AromaticContact CE1-CZ 3.88Å; F178-F198 HydrophobicContact CE1-CZ 3.88Å; F178-F198 HydrophobicContact CZ-CE2 4.25Å; F178-F198 HydrophobicContact CZ-CZ 4.11Å
179Y92.4Very high89.7Confident55 Ų5556.6 Ų56.622%0.21628%0.284CS..Hα-helixtrans-59.5-50.5171.4170.9-93.1000111.5N173 R174 G177 E181 C182 V183 L188 Y191N173-Y179 WeakPolarHBondContact O-CB 3.23Å; N173-Y179 PolarHBondContact O-N 2.68Å; R174-Y179 HydrophobicContact CG-CD2 4.39Å; R174-Y179 HydrophobicContact CG-CG 4.19Å; G177-Y179 PolarHBondContact O-N 3.26Å; Y179-E181 VanDerWaalsContact C-N 3.29Å; Y179-E181 PolarHBondContact O-N 3.26Å; Y179-C182 PolarHBondContact O-N 3.12Å; Y179-V183 HydrophobicContact CD1-CG2 4.49Å; Y179-V183 HydrophobicContact CD2-CG2 4.16Å; Y179-V183 HydrophobicContact CE1-CG2 4.18Å; Y179-V183 HydrophobicContact CE2-CG2 3.86Å; Y179-V183 HydrophobicContact CG-CG2 4.48Å; Y179-V183 WeakPolarHBondContact O-CB 3.4Å; Y179-V183 VanDerWaalsContact O-CG2 3.28Å; Y179-V183 WeakPolarHBondContact O-CG2 3.47Å; Y179-V183 PolarHBondContact O-N 3.42Å; Y179-L188 HydrophobicContact CE2-CD1 3.62Å; Y179-Y191 AromaticContact CD2-CD1 3.72Å; Y179-Y191 HydrophobicContact CD2-CD1 3.72Å; Y179-Y191 HydrophobicContact CD2-CD2 4.06Å; Y179-Y191 AromaticContact CD2-CE1 3.61Å; Y179-Y191 HydrophobicContact CD2-CE1 3.61Å; Y179-Y191 AromaticContact CD2-CE2 3.95Å; Y179-Y191 HydrophobicContact CD2-CE2 3.95Å; Y179-Y191 AromaticContact CD2-CG 3.93Å; Y179-Y191 HydrophobicContact CD2-CG 3.93Å; Y179-Y191 AromaticContact CD2-CZ 3.73Å; Y179-Y191 HydrophobicContact CE2-CD1 4.18Å; Y179-Y191 HydrophobicContact CE2-CE1 4.23Å; Y179-Y191 HydrophobicContact CG-CE2 4.37Å
180D88.6Confident89.8Confident78 Ų7856.2 Ų56.242%0.41728%0.282SS..Hα-helixtrans-63.8-39.3179.7-70.4-31.8000110.8G177 S184G177-D180 PolarHBondContact O-N 3.42Å; D180-S184 WeakPolarHBondContact O-CB 3.36Å; D180-S184 PolarHBondContact O-N 3.15Å
181E90.3Very high89.9Confident22 Ų2252.2 Ų52.210%0.10326%0.262CS..Hα-helixtrans-57.8-63.6172.3-172.2178.5162.200109.4S142 I143 G177 F178 Y179 V183 S184 R185S142-E181 WeakPolarHBondContact CA-OE2 3.47Å; S142-E181 WeakPolarHBondContact CB-OE2 3.22Å; S142-E181 PolarHBondContact N-OE1 3.45Å; S142-E181 PolarHBondContact N-OE2 3.2Å; S142-E181 PolarHBondContact OG-OE2 2.93Å; I143-E181 HydrophobicContact CD1-CG 4.09Å; I143-E181 HydrophobicContact CG1-CG 4.11Å; I143-E181 WeakPolarHBondContact CG1-OE1 3.28Å; I143-E181 PolarHBondContact N-OE1 3.25Å; I143-E181 VanDerWaalsContact N-OE1 3.12Å; G177-E181 WeakPolarHBondContact O-CB 3.2Å; G177-E181 PolarHBondContact O-N 3.24Å; F178-E181 PolarHBondContact O-N 3.4Å; Y179-E181 VanDerWaalsContact C-N 3.29Å; Y179-E181 PolarHBondContact O-N 3.26Å; E181-V183 VanDerWaalsContact C-N 3.32Å; E181-V183 PolarHBondContact O-N 3.43Å; E181-S184 PolarHBondContact O-N 2.85Å; E181-R185 HydrophobicContact CG-CG 4.01Å; E181-R185 WeakPolarHBondContact O-CB 3.35Å; E181-R185 WeakPolarHBondContact O-CG 3.26Å; E181-R185 PolarHBondContact O-N 3.26Å; E181-R185 IonicContact OE1-CZ 3.4Å; E181-R185 IonicContact OE1-NH1 2.64Å; E181-R185 PolarHBondContact OE1-NH1 3.35Å
182C91.4Very high90.1Very high0 Ų052.2 Ų52.20%026%0.255CS..Hα-helixtrans-52.6-44.7-179-71.90000113.9F178 Y179 R185 Y186 S187 Y191F178-C182 WeakPolarHBondContact CE2-SG 3.26Å; F178-C182 WeakPolarHBondContact CZ-SG 3.43Å; F178-C182 WeakPolarHBondContact O-CB 3.43Å; F178-C182 PolarHBondContact O-N 3.45Å; F178-C182 PolarHBondContact O-SG 3.37Å; F178-C182 VanDerWaalsContact O-SG 3.34Å; Y179-C182 PolarHBondContact O-N 3.12Å; C182-R185 PolarHBondContact O-N 3.08Å; C182-Y186 CarbonylContact O-C 3.51Å; C182-Y186 PolarHBondContact O-N 3.42Å; C182-S187 PolarHBondContact O-N 3.34Å; C182-Y191 HydrophobicContact CB-CD2 4.34Å
183V89.7Confident90.2Very high44 Ų4453.6 Ų53.627%0.26726%0.261SS..Hα-helixtrans-72.4-39.2-177.3173.90000112.1Y179 E181 R185 L188Y179-V183 HydrophobicContact CD1-CG2 4.49Å; Y179-V183 HydrophobicContact CD2-CG2 4.16Å; Y179-V183 HydrophobicContact CE1-CG2 4.18Å; Y179-V183 HydrophobicContact CE2-CG2 3.86Å; Y179-V183 HydrophobicContact CG-CG2 4.48Å; Y179-V183 WeakPolarHBondContact O-CB 3.4Å; Y179-V183 VanDerWaalsContact O-CG2 3.28Å; Y179-V183 WeakPolarHBondContact O-CG2 3.47Å; Y179-V183 PolarHBondContact O-N 3.42Å; E181-V183 VanDerWaalsContact C-N 3.32Å; E181-V183 PolarHBondContact O-N 3.43Å; V183-R185 VanDerWaalsContact C-N 3.29Å; V183-L188 HydrophobicContact CG2-CB 4.32Å; V183-L188 HydrophobicContact CG2-CD1 4.29Å
184S87.4Confident90.4Very high49 Ų4953.6 Ų53.634%0.34326%0.261SS..Hα-helixtrans-68-33.7175.1-176.90000111.7D180 E181D180-S184 WeakPolarHBondContact O-CB 3.36Å; D180-S184 PolarHBondContact O-N 3.15Å; E181-S184 PolarHBondContact O-N 2.85Å
185R89.2Confident90.7Very high42 Ų4246.8 Ų46.816%0.15824%0.235CC..Hα-helixtrans-85.8-46.9-171.3-75.5-158.566.3171.96.3114.1I143 E144 E181 C182 V183 L824I143-R185 HydrophobicContact CD1-CB 3.83Å; I143-R185 HydrophobicContact CD1-CG 4.23Å; E144-R185 IonicContact OE1-CZ 3.46Å; E144-R185 VanDerWaalsContact OE1-CZ 3.22Å; E144-R185 IonicContact OE1-NH1 2.77Å; E144-R185 PolarHBondContact OE1-NH1 3.12Å; E144-R185 IonicContact OE1-NH2 2.78Å; E144-R185 PolarHBondContact OE1-NH2 3.23Å; E144-R185 IonicContact OE2-CZ 2.72Å; E144-R185 IonicContact OE2-NH1 2.57Å; E144-R185 PolarHBondContact OE2-NH1 3.3Å; E144-R185 IonicContact OE2-NH2 2.64Å; E181-R185 HydrophobicContact CG-CG 4.01Å; E181-R185 WeakPolarHBondContact O-CB 3.35Å; E181-R185 WeakPolarHBondContact O-CG 3.26Å; E181-R185 PolarHBondContact O-N 3.26Å; E181-R185 IonicContact OE1-CZ 3.4Å; E181-R185 IonicContact OE1-NH1 2.64Å; E181-R185 PolarHBondContact OE1-NH1 3.35Å; C182-R185 PolarHBondContact O-N 3.08Å; V183-R185 VanDerWaalsContact C-N 3.29Å; R185-L824 HydrophobicContact CB-CD1 3.34Å; R185-L824 HydrophobicContact CB-CD2 4.33Å; R185-L824 HydrophobicContact CB-CG 3.83Å; R185-L824 HydrophobicContact CG-CD1 3.49Å; R185-L824 VanDerWaalsContact CG-CD1 3.49Å; R185-L824 HydrophobicContact CG-CD2 3.45Å; R185-L824 VanDerWaalsContact CG-CD2 3.45Å; R185-L824 HydrophobicContact CG-CG 3.47Å; R185-L824 VanDerWaalsContact CG-CG 3.47Å; R185-L824 WeakPolarHBondContact O-CD1 3.39Å
186Y90.8Very high91Very high44 Ų4446.5 Ų46.517%0.17323%0.227CC..SBendtrans-134.5-91.7-174.1-63.8-81.7000109.3I72 E74 I77 I143 C182 L190 L824I72-Y186 VanDerWaalsContact O-CE1 3.29Å; I72-Y186 WeakPolarHBondContact O-CE1 3.47Å; I72-Y186 PolarHBondContact O-OH 2.91Å; I72-Y186 VanDerWaalsContact O-OH 3.14Å; E74-Y186 HydrophobicContact CB-CD1 3.99Å; E74-Y186 HydrophobicContact CG-CD1 4.46Å; I77-Y186 HydrophobicContact CD1-CD1 4.43Å; I77-Y186 HydrophobicContact CD1-CD2 4.2Å; I77-Y186 HydrophobicContact CD1-CE1 3.95Å; I77-Y186 HydrophobicContact CD1-CE2 3.69Å; I143-Y186 HydrophobicContact CD1-CD2 3.75Å; I143-Y186 HydrophobicContact CD1-CE2 3.81Å; I143-Y186 HydrophobicContact CG2-CE2 4.25Å; C182-Y186 CarbonylContact O-C 3.51Å; C182-Y186 PolarHBondContact O-N 3.42Å; Y186-L190 VanDerWaalsContact CB-CD2 3.48Å; Y186-L190 HydrophobicContact CD1-CD2 4.46Å; Y186-L190 HydrophobicContact CD2-CD2 3.48Å; Y186-L190 VanDerWaalsContact CD2-CD2 3.48Å; Y186-L190 HydrophobicContact CE2-CD2 4.33Å; Y186-L190 HydrophobicContact CG-CD2 3.56Å; Y186-L824 HydrophobicContact CE2-CD1 4.22Å
187S91Very high91.6Very high28 Ų2841.3 Ų41.320%0.19621%0.206CC..  trans-155.1160.5-176.983.90000112.2E74 C182 R189 L190 Y191E74-S187 WeakPolarHBondContact OE1-CB 3.33Å; E74-S187 PolarHBondContact OE1-OG 3.04Å; C182-S187 PolarHBondContact O-N 3.34Å; S187-R189 PolarHBondContact O-N 3.02Å; S187-R189 WeakPolarHBondContact OG-CB 3.34Å; S187-R189 PolarHBondContact OG-N 3.01Å; S187-R189 VanDerWaalsContact OG-N 3.1Å; S187-L190 PolarHBondContact O-N 3.45Å; S187-L190 PolarHBondContact OG-N 2.99Å; S187-Y191 PolarHBondContact O-N 3.16Å
188L90.9Very high92.2Very high87 Ų8740.1 Ų40.146%0.45519%0.194SC..Hα-helixtrans-58.6-32167.2176.962.6000111.7Y179 V183 Y191 L192Y179-L188 HydrophobicContact CE2-CD1 3.62Å; V183-L188 HydrophobicContact CG2-CB 4.32Å; V183-L188 HydrophobicContact CG2-CD1 4.29Å; L188-Y191 HydrophobicContact CD1-CD1 4.14Å; L188-Y191 WeakPolarHBondContact O-CB 3.49Å; L188-Y191 PolarHBondContact O-N 3.4Å; L188-L192 WeakPolarHBondContact O-CG 3.39Å; L188-L192 PolarHBondContact O-N 2.7Å; L188-L192 VanDerWaalsContact O-N 3.11Å
189R92.2Very high92.3Very high150 Ų15041.5 Ų41.557%0.56620%0.201SC*.Hα-helixtrans-65.9-42.4179.4-172.7170.4173.2-178.7-2.2110.4W78 S187 Y191 L192 H193W78-R189 VanDerWaalsContact CH2-CD 3.41Å; W78-R189 HydrophobicContact CH2-CG 4.06Å; W78-R189 HydrophobicContact CZ2-CB 4.16Å; W78-R189 VanDerWaalsContact CZ2-CD 3.42Å; W78-R189 HydrophobicContact CZ2-CG 3.55Å; S187-R189 PolarHBondContact O-N 3.02Å; S187-R189 WeakPolarHBondContact OG-CB 3.34Å; S187-R189 PolarHBondContact OG-N 3.01Å; S187-R189 VanDerWaalsContact OG-N 3.1Å; R189-Y191 PolarHBondContact O-N 3.31Å; R189-L192 PolarHBondContact O-N 2.99Å; R189-H193 PolarHBondContact O-N 2.91Å; R189-H193 VanDerWaalsContact O-N 3.12Å; R189-H193 PolarHBondContact O-ND1 2.86Å
190L92.2Very high92.5Very high0 Ų038.9 Ų38.90%019%0.191CC..Hα-helixtrans-60.1-44.4174.3-179.965000111.9E74 I77 W78 I81 Y186 S187 L192 H193 F194E74-L190 HydrophobicContact CG-CB 4.31Å; E74-L190 HydrophobicContact CG-CD2 4.5Å; I77-L190 HydrophobicContact CB-CD1 4Å; I77-L190 HydrophobicContact CD1-CD2 4.01Å; I77-L190 HydrophobicContact CG2-CD1 3.56Å; I77-L190 HydrophobicContact CG2-CD2 4.41Å; W78-L190 VanDerWaalsContact CD1-CD1 3.48Å; I81-L190 HydrophobicContact CD1-CD1 4Å; Y186-L190 VanDerWaalsContact CB-CD2 3.48Å; Y186-L190 HydrophobicContact CD1-CD2 4.46Å; Y186-L190 HydrophobicContact CD2-CD2 3.48Å; Y186-L190 VanDerWaalsContact CD2-CD2 3.48Å; Y186-L190 HydrophobicContact CE2-CD2 4.33Å; Y186-L190 HydrophobicContact CG-CD2 3.56Å; S187-L190 PolarHBondContact O-N 3.45Å; S187-L190 PolarHBondContact OG-N 2.99Å; L190-L192 VanDerWaalsContact C-N 3.3Å; L190-L192 PolarHBondContact O-N 3.17Å; L190-H193 PolarHBondContact O-N 2.94Å; L190-H193 VanDerWaalsContact O-N 3.09Å; L190-F194 HydrophobicContact CD1-CD2 4.17Å; L190-F194 HydrophobicContact CD1-CE2 3.8Å; L190-F194 HydrophobicContact CD1-CZ 4.45Å; L190-F194 HydrophobicContact CD2-CE2 3.92Å; L190-F194 HydrophobicContact CG-CD2 3.93Å; L190-F194 HydrophobicContact CG-CE2 3.67Å; L190-F194 WeakPolarHBondContact O-CD2 3.38Å; L190-F194 PolarHBondContact O-N 3.09Å
191Y93.7Very high92.8Very high5 Ų535.2 Ų35.22%0.0217%0.171CC..Hα-helixtrans-54.4-46174.8170-101.1000111.9M170 N173 F178 Y179 C182 S187 L188 R189 H193 F194 Q195M170-Y191 WeakPolarHBondContact CG-OH 3.37Å; N173-Y191 WeakPolarHBondContact OD1-CE2 3.49Å; N173-Y191 PolarHBondContact OD1-OH 2.62Å; F178-Y191 HydrophobicContact CD1-CD2 4.14Å; F178-Y191 HydrophobicContact CD1-CE2 4.11Å; F178-Y191 HydrophobicContact CE1-CD2 4.26Å; Y179-Y191 AromaticContact CD2-CD1 3.72Å; Y179-Y191 HydrophobicContact CD2-CD1 3.72Å; Y179-Y191 HydrophobicContact CD2-CD2 4.06Å; Y179-Y191 AromaticContact CD2-CE1 3.61Å; Y179-Y191 HydrophobicContact CD2-CE1 3.61Å; Y179-Y191 AromaticContact CD2-CE2 3.95Å; Y179-Y191 HydrophobicContact CD2-CE2 3.95Å; Y179-Y191 AromaticContact CD2-CG 3.93Å; Y179-Y191 HydrophobicContact CD2-CG 3.93Å; Y179-Y191 AromaticContact CD2-CZ 3.73Å; Y179-Y191 HydrophobicContact CE2-CD1 4.18Å; Y179-Y191 HydrophobicContact CE2-CE1 4.23Å; Y179-Y191 HydrophobicContact CG-CE2 4.37Å; C182-Y191 HydrophobicContact CB-CD2 4.34Å; S187-Y191 PolarHBondContact O-N 3.16Å; L188-Y191 HydrophobicContact CD1-CD1 4.14Å; L188-Y191 WeakPolarHBondContact O-CB 3.49Å; L188-Y191 PolarHBondContact O-N 3.4Å; R189-Y191 PolarHBondContact O-N 3.31Å; Y191-H193 VanDerWaalsContact C-N 3.31Å; Y191-H193 PolarHBondContact O-N 3.41Å; Y191-F194 PolarHBondContact O-N 3.24Å; Y191-Q195 HydrophobicContact CD1-CG 4.25Å; Y191-Q195 HydrophobicContact CE1-CG 3.78Å; Y191-Q195 HydrophobicContact CE2-CG 4.12Å; Y191-Q195 WeakPolarHBondContact O-CG 3.34Å; Y191-Q195 PolarHBondContact O-N 3.38Å
192L93.6Very high93.1Very high87 Ų8734.2 Ų34.246%0.45517%0.167SC..Hα-helixtrans-64.7-32.2178.3-66.1174.6000113.1M170 L188 R189 L190 Q195 H196M170-L192 HydrophobicContact CE-CD2 4.38Å; L188-L192 WeakPolarHBondContact O-CG 3.39Å; L188-L192 PolarHBondContact O-N 2.7Å; L188-L192 VanDerWaalsContact O-N 3.11Å; R189-L192 PolarHBondContact O-N 2.99Å; L190-L192 VanDerWaalsContact C-N 3.3Å; L190-L192 PolarHBondContact O-N 3.17Å; L192-Q195 PolarHBondContact O-N 3.11Å; L192-H196 PolarHBondContact O-N 2.97Å
193H93.3Very high93.3Very high48 Ų4834.2 Ų34.222%0.22217%0.167CC..Hα-helixtrans-69-40.8174.3-71.460.4000111I81 R189 L190 Y191 Q195 H196 M197I81-H193 HydrophobicContact CD1-CB 4.04Å; I81-H193 HydrophobicContact CG2-CB 4.48Å; R189-H193 PolarHBondContact O-N 2.91Å; R189-H193 VanDerWaalsContact O-N 3.12Å; R189-H193 PolarHBondContact O-ND1 2.86Å; L190-H193 PolarHBondContact O-N 2.94Å; L190-H193 VanDerWaalsContact O-N 3.09Å; Y191-H193 VanDerWaalsContact C-N 3.31Å; Y191-H193 PolarHBondContact O-N 3.41Å; H193-Q195 VanDerWaalsContact C-N 3.33Å; H193-Q195 PolarHBondContact O-N 2.83Å; H193-H196 PolarHBondContact O-N 3.1Å; H193-M197 PolarHBondContact O-N 3.26Å
194F95.8Very high93.6Very high0 Ų032.1 Ų32.10%015%0.154CC..Hα-helixtrans-61.8-39.6171.7-78.1-60.9000112.4I77 I81 I146 L150 F178 L190 Y191 M197 F198I77-F194 HydrophobicContact CG2-CE1 4.4Å; I77-F194 HydrophobicContact CG2-CE2 4.13Å; I77-F194 HydrophobicContact CG2-CZ 3.61Å; I81-F194 HydrophobicContact CD1-CD1 3.68Å; I81-F194 HydrophobicContact CD1-CD2 4.31Å; I81-F194 HydrophobicContact CD1-CE1 3.63Å; I81-F194 HydrophobicContact CD1-CE2 4.28Å; I81-F194 HydrophobicContact CD1-CG 4.03Å; I81-F194 HydrophobicContact CD1-CZ 3.95Å; I81-F194 HydrophobicContact CG1-CD1 4.16Å; I81-F194 HydrophobicContact CG1-CE1 3.95Å; I146-F194 HydrophobicContact CG1-CE1 4.41Å; I146-F194 HydrophobicContact CG2-CD1 4.28Å; I146-F194 HydrophobicContact CG2-CE1 3.7Å; I146-F194 HydrophobicContact CG2-CZ 4.02Å; L150-F194 HydrophobicContact CD1-CE1 4.08Å; F178-F194 HydrophobicContact CE1-CB 3.82Å; F178-F194 HydrophobicContact CE1-CD2 4.28Å; F178-F194 HydrophobicContact CE1-CG 4.18Å; F178-F194 HydrophobicContact CZ-CB 3.89Å; F178-F194 HydrophobicContact CZ-CD1 4.31Å; F178-F194 AromaticContact CZ-CD2 3.64Å; F178-F194 HydrophobicContact CZ-CD2 3.64Å; F178-F194 HydrophobicContact CZ-CE2 4.18Å; F178-F194 AromaticContact CZ-CG 3.71Å; F178-F194 HydrophobicContact CZ-CG 3.71Å; L190-F194 HydrophobicContact CD1-CD2 4.17Å; L190-F194 HydrophobicContact CD1-CE2 3.8Å; L190-F194 HydrophobicContact CD1-CZ 4.45Å; L190-F194 HydrophobicContact CD2-CE2 3.92Å; L190-F194 HydrophobicContact CG-CD2 3.93Å; L190-F194 HydrophobicContact CG-CE2 3.67Å; L190-F194 WeakPolarHBondContact O-CD2 3.38Å; L190-F194 PolarHBondContact O-N 3.09Å; Y191-F194 PolarHBondContact O-N 3.24Å; F194-M197 HydrophobicContact CD1-CE 3.9Å; F194-M197 WeakPolarHBondContact O-CB 3.21Å; F194-M197 PolarHBondContact O-N 3.38Å; F194-F198 HydrophobicContact CB-CE2 4.21Å; F194-F198 HydrophobicContact CB-CZ 4.47Å; F194-F198 VanDerWaalsContact O-CD2 3.23Å; F194-F198 WeakPolarHBondContact O-CD2 3.39Å; F194-F198 WeakPolarHBondContact O-CG 3.43Å; F194-F198 PolarHBondContact O-N 3.08Å
195Q94.5Very high94Very high5 Ų529.8 Ų29.82%0.02314%0.138CC..Hα-helixtrans-62.2-44175.3-64.3-50.7-56.200112.1M170 N173 Y191 L192 H193 M197 F198 D199M170-Q195 VanDerWaalsContact CA-OE1 3.32Å; M170-Q195 HydrophobicContact CE-CB 3.98Å; M170-Q195 HydrophobicContact CE-CG 3.73Å; N173-Q195 VanDerWaalsContact CG-NE2 3.31Å; N173-Q195 PolarHBondContact ND2-NE2 2.79Å; N173-Q195 PolarHBondContact ND2-OE1 3.45Å; N173-Q195 VanDerWaalsContact ND2-OE1 3.13Å; N173-Q195 PolarHBondContact OD1-NE2 3.48Å; N173-Q195 VanDerWaalsContact OD1-NE2 3.12Å; Y191-Q195 HydrophobicContact CD1-CG 4.25Å; Y191-Q195 HydrophobicContact CE1-CG 3.78Å; Y191-Q195 HydrophobicContact CE2-CG 4.12Å; Y191-Q195 WeakPolarHBondContact O-CG 3.34Å; Y191-Q195 PolarHBondContact O-N 3.38Å; L192-Q195 PolarHBondContact O-N 3.11Å; H193-Q195 VanDerWaalsContact C-N 3.33Å; H193-Q195 PolarHBondContact O-N 2.83Å; Q195-M197 VanDerWaalsContact C-N 3.3Å; Q195-M197 PolarHBondContact O-N 3.09Å; Q195-F198 PolarHBondContact O-N 3.43Å; Q195-D199 PolarHBondContact O-N 2.93Å
196H94.8Very high94.3Very high98 Ų9828.2 Ų28.245%0.45413%0.132SC..Hα-helixtrans-60.6-41.4174.9-175.757.7000111.8L192 H193 D199 C200L192-H196 PolarHBondContact O-N 2.97Å; H193-H196 PolarHBondContact O-N 3.1Å; H196-D199 WeakPolarHBondContact O-CB 3.49Å; H196-D199 PolarHBondContact O-N 3.14Å; H196-C200 PolarHBondContact O-N 3.22Å; H196-C200 PolarHBondContact O-SG 3.44Å
197M95.6Very high94.3Very high0 Ų026.1 Ų26.10%012%0.124CC..Hα-helixtrans-63.2-42.4174.6-179-78.6-62.800112.3I81 V85 L88 I146 L150 H193 F194 Q195 D199 C200 L201I81-M197 HydrophobicContact CG2-CB 3.84Å; I81-M197 HydrophobicContact CG2-CG 4.27Å; V85-M197 HydrophobicContact CG2-CB 3.88Å; V85-M197 HydrophobicContact CG2-CG 3.95Å; L88-M197 HydrophobicContact CD1-CG 4.18Å; L88-M197 HydrophobicContact CD1-SD 4.06Å; I146-M197 HydrophobicContact CD1-CE 4.05Å; I146-M197 HydrophobicContact CG1-CE 3.83Å; L150-M197 HydrophobicContact CD1-CE 4.06Å; L150-M197 HydrophobicContact CD2-CE 4.03Å; L150-M197 HydrophobicContact CD2-CG 4.1Å; L150-M197 HydrophobicContact CD2-SD 3.68Å; L150-M197 HydrophobicContact CG-CE 4.49Å; H193-M197 PolarHBondContact O-N 3.26Å; F194-M197 HydrophobicContact CD1-CE 3.9Å; F194-M197 WeakPolarHBondContact O-CB 3.21Å; F194-M197 PolarHBondContact O-N 3.38Å; Q195-M197 VanDerWaalsContact C-N 3.3Å; Q195-M197 PolarHBondContact O-N 3.09Å; M197-D199 VanDerWaalsContact C-N 3.28Å; M197-D199 PolarHBondContact O-N 3.07Å; M197-C200 CarbonylContact O-C 3.42Å; M197-C200 VanDerWaalsContact O-CA 3.31Å; M197-C200 WeakPolarHBondContact O-CA 3.33Å; M197-C200 VanDerWaalsContact O-CB 3.26Å; M197-C200 WeakPolarHBondContact O-CB 3.3Å; M197-C200 PolarHBondContact O-N 3.28Å; M197-L201 PolarHBondContact O-N 3.21Å; M197-L201 HydrophobicContact SD-CD2 4.17Å; M197-L201 HydrophobicContact SD-CG 4.23Å
198F96.4Very high94.1Very high0 Ų026.5 Ų26.50%012%0.124CC..Hα-helixtrans-61.4-36.9175.1-65.8-35.9000112.4V136 I146 R164 E168 F178 F194 Q195 C200 L201V136-F198 HydrophobicContact CG1-CZ 3.89Å; V136-F198 HydrophobicContact CG2-CZ 4.34Å; I146-F198 HydrophobicContact CD1-CE1 3.87Å; I146-F198 HydrophobicContact CG1-CE1 3.91Å; I146-F198 HydrophobicContact CG1-CZ 4.29Å; R164-F198 WeakPolarHBondContact CD-O 3.2Å; R164-F198 PolarHBondContact NE-O 3.48Å; R164-F198 PolarHBondContact NH1-O 2.77Å; E168-F198 HydrophobicContact CB-CB 4.07Å; E168-F198 HydrophobicContact CB-CD1 3.8Å; E168-F198 HydrophobicContact CB-CD2 4.19Å; E168-F198 HydrophobicContact CB-CE1 4.25Å; E168-F198 HydrophobicContact CB-CG 3.78Å; E168-F198 HydrophobicContact CG-CD1 3.55Å; E168-F198 HydrophobicContact CG-CD2 4.48Å; E168-F198 HydrophobicContact CG-CE1 3.57Å; E168-F198 HydrophobicContact CG-CE2 4.5Å; E168-F198 HydrophobicContact CG-CG 4.05Å; E168-F198 HydrophobicContact CG-CZ 4.08Å; E168-F198 WeakPolarHBondContact O-CB 3.39Å; F178-F198 HydrophobicContact CD1-CE2 4.12Å; F178-F198 AromaticContact CE1-CE2 3.56Å; F178-F198 HydrophobicContact CE1-CE2 3.56Å; F178-F198 AromaticContact CE1-CZ 3.88Å; F178-F198 HydrophobicContact CE1-CZ 3.88Å; F178-F198 HydrophobicContact CZ-CE2 4.25Å; F178-F198 HydrophobicContact CZ-CZ 4.11Å; F194-F198 HydrophobicContact CB-CE2 4.21Å; F194-F198 HydrophobicContact CB-CZ 4.47Å; F194-F198 VanDerWaalsContact O-CD2 3.23Å; F194-F198 WeakPolarHBondContact O-CD2 3.39Å; F194-F198 WeakPolarHBondContact O-CG 3.43Å; F194-F198 PolarHBondContact O-N 3.08Å; Q195-F198 PolarHBondContact O-N 3.43Å; F198-C200 PolarHBondContact O-N 2.92Å; F198-L201 HydrophobicContact CD1-CD1 3.79Å; F198-L201 WeakPolarHBondContact O-CB 3.31Å; F198-L201 PolarHBondContact O-N 2.96Å; F198-L201 VanDerWaalsContact O-N 3.08Å
199D95.1Very high93.9Very high30 Ų3026.6 Ų26.616%0.1613%0.125CC..Hα-helixtrans-62.3-24.4172.2-69.2-23000112.8R164 Q195 H196 M197 P234 I235 P236R164-D199 IonicContact CZ-OD1 3.29Å; R164-D199 IonicContact NH1-OD1 3.04Å; R164-D199 PolarHBondContact NH1-OD1 3.31Å; R164-D199 IonicContact NH2-OD1 3.98Å; R164-D199 PolarHBondContact NH2-OD1 3.5Å; Q195-D199 PolarHBondContact O-N 2.93Å; H196-D199 WeakPolarHBondContact O-CB 3.49Å; H196-D199 PolarHBondContact O-N 3.14Å; M197-D199 VanDerWaalsContact C-N 3.28Å; M197-D199 PolarHBondContact O-N 3.07Å; D199-P234 HydrophobicContact CB-CB 3.81Å; D199-P234 CarbonylContact O-C 3.59Å; D199-P234 WeakPolarHBondContact O-CA 3.48Å; D199-I235 PolarHBondContact O-N 2.89Å; D199-P236 WeakPolarHBondContact OD1-CA 3.01Å
200C95.6Very high93.7Very high0 Ų020.9 Ų20.90%010%0.104CC..THydrogen-bonded Turntrans-896.2174.9-54.60000113.7V85 L89 H196 M197 F198 R233 P234V85-C200 HydrophobicContact CG1-CB 4.49Å; L89-C200 HydrophobicContact CD2-CB 4.18Å; L89-C200 HydrophobicContact CG-CB 4.38Å; H196-C200 PolarHBondContact O-N 3.22Å; H196-C200 PolarHBondContact O-SG 3.44Å; M197-C200 CarbonylContact O-C 3.42Å; M197-C200 VanDerWaalsContact O-CA 3.31Å; M197-C200 WeakPolarHBondContact O-CA 3.33Å; M197-C200 VanDerWaalsContact O-CB 3.26Å; M197-C200 WeakPolarHBondContact O-CB 3.3Å; M197-C200 PolarHBondContact O-N 3.28Å; F198-C200 PolarHBondContact O-N 2.92Å; C200-R233 PolarHBondContact O-NH1 2.97Å; C200-P234 VanDerWaalsContact SG-CG 3.59Å
201L96.1Very high93.6Very high1 Ų121.1 Ų21.11%0.00511%0.105CC..SBendtrans-82.5141178.6-72.7174.3000112.6L88 Y135 I162 R164 E168 M197 F198 R233L88-L201 HydrophobicContact CD1-CD2 3.85Å; L88-L201 HydrophobicContact CD2-CD2 3.95Å; Y135-L201 HydrophobicContact CE2-CD1 4.46Å; I162-L201 HydrophobicContact CD1-CD2 3.62Å; I162-L201 HydrophobicContact CG1-CD2 3.74Å; R164-L201 HydrophobicContact CB-CB 3.79Å; R164-L201 HydrophobicContact CB-CD1 4.3Å; R164-L201 HydrophobicContact CG-CB 4.17Å; R164-L201 HydrophobicContact CG-CD1 4.21Å; E168-L201 HydrophobicContact CB-CD1 4.44Å; E168-L201 HydrophobicContact CG-CD1 4.19Å; M197-L201 PolarHBondContact O-N 3.21Å; M197-L201 HydrophobicContact SD-CD2 4.17Å; M197-L201 HydrophobicContact SD-CG 4.23Å; F198-L201 HydrophobicContact CD1-CD1 3.79Å; F198-L201 WeakPolarHBondContact O-CB 3.31Å; F198-L201 PolarHBondContact O-N 2.96Å; F198-L201 VanDerWaalsContact O-N 3.08Å; L201-R233 VanDerWaalsContact C-NH1 3.31Å; L201-R233 WeakPolarHBondContact O-CD 3.19Å
202P95.7Very high93.7Very high1 Ų120.9 Ų20.91%0.00610%0.104CC..  trans-60.5152169-18.530.3000111.3D91 T95 I162 L163 R164 R233D91-P202 HydrophobicContact CB-CG 3.99Å; T95-P202 WeakPolarHBondContact OG1-CB 3.38Å; I162-P202 WeakPolarHBondContact O-CD 3.13Å; L163-P202 CarbonylContact C-O 3.58Å; L163-P202 WeakPolarHBondContact CA-O 3.44Å; L163-P202 HydrophobicContact CD2-CB 3.86Å; R164-P202 PolarHBondContact N-O 3.03Å; P202-R233 VanDerWaalsContact N-NH1 3.11Å
203V95.1Very high93.8Very high0 Ų016.7 Ų16.70%08%0.082CC..  trans-100.2-31.5-172.8177.40000112.1T93 L243 L246 L247T93-V203 HydrophobicContact CG2-CB 4.18Å; T93-V203 HydrophobicContact CG2-CG2 3.99Å; T93-V203 PolarHBondContact O-N 3Å; V203-L243 HydrophobicContact CB-CD2 4.49Å; V203-L243 HydrophobicContact CG1-CD2 4.13Å; V203-L243 HydrophobicContact CG2-CD2 4.17Å; V203-L246 HydrophobicContact CG1-CB 4.18Å; V203-L246 HydrophobicContact CG1-CD1 3.87Å; V203-L247 HydrophobicContact CG1-CD2 4.42Å
204A96.5Very high94Very high0 Ų014.4 Ų14.40%07%0.071CC..EExtended strand (participates in β ladder)trans-144.8161.3-179.600000110.6T93 L94 T95 F212 C213 I228T93-A204 PolarHBondContact O-N 3.47Å; L94-A204 CarbonylContact C-O 3.55Å; L94-A204 VanDerWaalsContact CA-O 3.32Å; L94-A204 WeakPolarHBondContact CA-O 3.29Å; L94-A204 HydrophobicContact CD1-CB 3.69Å; T95-A204 PolarHBondContact N-O 3.26Å; A204-F212 HydrophobicContact CB-CE2 3.73Å; A204-F212 HydrophobicContact CB-CZ 4.09Å; A204-C213 CarbonylContact C-O 3.47Å; A204-C213 VanDerWaalsContact CA-O 3.26Å; A204-C213 WeakPolarHBondContact CA-O 3.38Å; A204-C213 WeakPolarHBondContact CB-O 3.46Å; A204-I228 HydrophobicContact CB-CD1 4.43Å
205A96.5Very high94Very high0 Ų014.4 Ų14.40%07%0.071CC..EExtended strand (participates in β ladder)trans-130.9155.9171.100000111.3T95 I97 L130 L163 C213T95-A205 CarbonylContact O-C 3.59Å; T95-A205 WeakPolarHBondContact O-CA 3.27Å; T95-A205 WeakPolarHBondContact O-CB 3.14Å; I97-A205 HydrophobicContact CD1-CB 3.77Å; L130-A205 HydrophobicContact CD1-CB 4.06Å; L130-A205 HydrophobicContact CD2-CB 3.93Å; L163-A205 HydrophobicContact CD1-CB 4.08Å; L163-A205 HydrophobicContact CD2-CB 4.19Å; A205-C213 HydrophobicContact CB-CB 4.16Å; A205-C213 PolarHBondContact N-O 2.85Å; A205-C213 PolarHBondContact O-N 2.82Å
206L94.5Very high94Very high8 Ų814.2 Ų14.24%0.0427%0.07CC..EExtended strand (participates in β ladder)trans-125.1108.9175.3-17166.3000108.7L94 T95 I97 N209 I211 F212 F225 I283L94-L206 HydrophobicContact CD1-CB 4.37Å; T95-L206 PolarHBondContact O-N 3.16Å; I97-L206 PolarHBondContact N-O 3.34Å; L206-N209 HydrophobicContact CD2-CB 4.31Å; L206-N209 VanDerWaalsContact CD2-OD1 3.29Å; L206-N209 WeakPolarHBondContact CD2-OD1 3.26Å; L206-I211 WeakPolarHBondContact CA-O 3.39Å; L206-F212 HydrophobicContact CD1-CB 4.25Å; L206-F212 HydrophobicContact CD1-CD2 4.44Å; L206-F225 HydrophobicContact CD1-CE2 4.43Å; L206-F225 HydrophobicContact CD1-CZ 4.26Å; L206-F225 HydrophobicContact CD2-CE2 4.42Å; L206-I283 HydrophobicContact CD1-CG2 4.2Å
207V91.3Very high93.9Very high1 Ų19.5 Ų9.51%0.0065%0.049CC..EExtended strand (participates in β ladder)trans-89.6123.7-179.3-175.20000109.5I97 A99 I101 I103 L130 N209 R210 I211 A327I97-V207 HydrophobicContact CB-CG2 4.41Å; I97-V207 CarbonylContact O-C 3.44Å; I97-V207 VanDerWaalsContact O-CA 3.22Å; I97-V207 WeakPolarHBondContact O-CA 3.49Å; A99-V207 HydrophobicContact CB-CG1 4.48Å; I101-V207 HydrophobicContact CG2-CG1 3.76Å; I101-V207 HydrophobicContact CG2-CG2 4.24Å; I103-V207 HydrophobicContact CD1-CG2 4.41Å; L130-V207 HydrophobicContact CD2-CG2 4.15Å; V207-N209 PolarHBondContact O-N 3.25Å; V207-R210 PolarHBondContact O-N 2.8Å; V207-I211 HydrophobicContact CB-CB 4.15Å; V207-I211 PolarHBondContact N-O 2.83Å; V207-I211 PolarHBondContact O-N 2.91Å; V207-A327 HydrophobicContact CG1-CB 4.44Å
208N85.8Confident93.8Very high36 Ų369.5 Ų9.519%0.1935%0.049CC..THydrogen-bonded Turntrans46.132.5-176.1-77.215.8000114.1I16 I97 C98 A99 R210I16-N208 HydrophobicContact CD1-CB 3.42Å; I16-N208 VanDerWaalsContact CD1-CB 3.42Å; I16-N208 HydrophobicContact CG1-CB 4.13Å; I97-N208 PolarHBondContact O-N 2.93Å; C98-N208 WeakPolarHBondContact CA-OD1 3.37Å; A99-N208 PolarHBondContact N-OD1 3.3Å; N208-R210 WeakPolarHBondContact O-CG 3.37Å; N208-R210 PolarHBondContact O-N 3.1Å
209N87.6Confident93.7Very high88 Ų889.6 Ų9.647%0.4715%0.049SC..THydrogen-bonded Turntrans57.216.2-176.4-67.3-19.5000116L206 V207L206-N209 HydrophobicContact CD2-CB 4.31Å; L206-N209 VanDerWaalsContact CD2-OD1 3.29Å; L206-N209 WeakPolarHBondContact CD2-OD1 3.26Å; V207-N209 PolarHBondContact O-N 3.25Å
210R87.9Confident93.5Very high31 Ų3110.7 Ų10.712%0.1176%0.058CC..THydrogen-bonded Turntrans-131.6-23.8-175.2-66.2-61.9-164.7-167.14.2114.6H12 I16 V207 N208 D282 I283 D284 L285H12-R210 PolarHBondContact O-NH2 2.91Å; I16-R210 HydrophobicContact CD1-CB 3.36Å; I16-R210 HydrophobicContact CD1-CG 3.44Å; I16-R210 VanDerWaalsContact CD1-CG 3.44Å; V207-R210 PolarHBondContact O-N 2.8Å; N208-R210 WeakPolarHBondContact O-CG 3.37Å; N208-R210 PolarHBondContact O-N 3.1Å; R210-D282 IonicContact CZ-OD2 3.96Å; R210-D282 PolarHBondContact NH1-O 3.35Å; R210-D282 IonicContact NH1-OD1 2.63Å; R210-D282 PolarHBondContact NH1-OD1 2.86Å; R210-D282 IonicContact NH1-OD2 3.16Å; R210-D282 PolarHBondContact NH1-OD2 3.07Å; R210-I283 WeakPolarHBondContact O-CB 3.44Å; R210-D284 WeakPolarHBondContact CD-OD2 3.47Å; R210-D284 IonicContact NE-OD2 3.51Å; R210-D284 PolarHBondContact O-N 2.88Å; R210-L285 PolarHBondContact O-N 3.17Å
211I91Very high93.3Very high4 Ų413.7 Ų13.72%0.0218%0.079CC..EExtended strand (participates in β ladder)trans-113111.1177.8-49.2175.5000109.2I16 L206 V207 L285 A287 M325 A327I16-I211 HydrophobicContact CG2-CD1 4Å; L206-I211 WeakPolarHBondContact CA-O 3.39Å; V207-I211 HydrophobicContact CB-CB 4.15Å; V207-I211 PolarHBondContact N-O 2.83Å; V207-I211 PolarHBondContact O-N 2.91Å; I211-L285 CarbonylContact C-O 3.58Å; I211-L285 VanDerWaalsContact CA-O 3.31Å; I211-L285 WeakPolarHBondContact CA-O 3.01Å; I211-L285 HydrophobicContact CG1-CB 4.35Å; I211-L285 HydrophobicContact CG2-CB 4.24Å; I211-L285 HydrophobicContact CG2-CD2 4.23Å; I211-L285 HydrophobicContact CG2-CG 4.27Å; I211-A287 HydrophobicContact CG2-CB 4.13Å; I211-M325 HydrophobicContact CD1-CE 3.82Å; I211-M325 HydrophobicContact CG2-CE 4.21Å; I211-A327 HydrophobicContact CD1-CB 4Å
212F95.3Very high93.1Very high0 Ų013.7 Ų13.70%08%0.079CC..EExtended strand (participates in β ladder)trans-88.1122.9177.4-177.7-126.9000110.4L94 A204 L206 M214 L218 L222 F225 I228 F277 I283 L285 I286 A287L94-F212 HydrophobicContact CD1-CD2 4.36Å; L94-F212 HydrophobicContact CD1-CE2 3.87Å; A204-F212 HydrophobicContact CB-CE2 3.73Å; A204-F212 HydrophobicContact CB-CZ 4.09Å; L206-F212 HydrophobicContact CD1-CB 4.25Å; L206-F212 HydrophobicContact CD1-CD2 4.44Å; F212-M214 HydrophobicContact CD1-CE 4.29Å; F212-M214 HydrophobicContact CD1-SD 3.86Å; F212-M214 HydrophobicContact CE1-CE 3.34Å; F212-M214 HydrophobicContact CE1-SD 3.49Å; F212-M214 WeakPolarHBondContact CE1-SD 3.42Å; F212-M214 HydrophobicContact CZ-CE 3.76Å; F212-M214 HydrophobicContact CZ-SD 4.29Å; F212-L218 HydrophobicContact CD1-CD2 4.39Å; F212-L218 HydrophobicContact CE1-CD2 4.22Å; F212-L222 HydrophobicContact CE1-CD2 4.24Å; F212-L222 HydrophobicContact CZ-CD2 4.22Å; F212-F225 HydrophobicContact CB-CZ 4.47Å; F212-F225 HydrophobicContact CD1-CE1 4.31Å; F212-F225 HydrophobicContact CD2-CD1 4.3Å; F212-F225 AromaticContact CD2-CE1 3.5Å; F212-F225 HydrophobicContact CD2-CE1 3.5Å; F212-F225 VanDerWaalsContact CD2-CE1 3.5Å; F212-F225 HydrophobicContact CD2-CZ 4.14Å; F212-F225 HydrophobicContact CE1-CE1 4.39Å; F212-F225 HydrophobicContact CE2-CD1 4.06Å; F212-F225 AromaticContact CE2-CE1 3.61Å; F212-F225 HydrophobicContact CE2-CE1 3.61Å; F212-F225 AromaticContact CG-CE1 3.88Å; F212-F225 HydrophobicContact CG-CE1 3.88Å; F212-F225 HydrophobicContact CG-CZ 4.26Å; F212-F225 HydrophobicContact CZ-CE1 4.08Å; F212-I228 HydrophobicContact CE2-CD1 4.11Å; F212-I228 HydrophobicContact CZ-CD1 3.81Å; F212-F277 HydrophobicContact CD1-CE1 4.03Å; F212-F277 HydrophobicContact CD1-CZ 4.33Å; F212-F277 HydrophobicContact CE1-CE1 4.38Å; F212-F277 HydrophobicContact CE1-CZ 4.24Å; F212-I283 HydrophobicContact CB-CD1 3.58Å; F212-I283 HydrophobicContact CG-CD1 4.43Å; F212-L285 PolarHBondContact N-O 2.8Å; F212-I286 CarbonylContact O-C 3.56Å; F212-I286 VanDerWaalsContact O-CA 3.29Å; F212-I286 WeakPolarHBondContact O-CA 3.3Å; F212-A287 PolarHBondContact O-N 2.82Å
213C96.2Very high92.8Very high0 Ų016.2 Ų16.20%010%0.1CC..EExtended strand (participates in β ladder)trans-117.2132.9-171.5-61.30000111.1L130 L132 A204 A205 A287L130-C213 HydrophobicContact CD2-CB 3.8Å; L132-C213 HydrophobicContact CD2-CB 3.73Å; A204-C213 CarbonylContact C-O 3.47Å; A204-C213 VanDerWaalsContact CA-O 3.26Å; A204-C213 WeakPolarHBondContact CA-O 3.38Å; A204-C213 WeakPolarHBondContact CB-O 3.46Å; A205-C213 HydrophobicContact CB-CB 4.16Å; A205-C213 PolarHBondContact N-O 2.85Å; A205-C213 PolarHBondContact O-N 2.82Å; C213-A287 VanDerWaalsContact CA-O 3.29Å; C213-A287 WeakPolarHBondContact CA-O 3.25Å
214M96.4Very high92.6Very high0 Ų019.6 Ų19.60%012%0.118CC..EExtended strand (participates in β ladder)trans-157.1170.9-179.467-142.4-50.400110.7F212 G217 L218 L246 I286 A287 R288F212-M214 HydrophobicContact CD1-CE 4.29Å; F212-M214 HydrophobicContact CD1-SD 3.86Å; F212-M214 HydrophobicContact CE1-CE 3.34Å; F212-M214 HydrophobicContact CE1-SD 3.49Å; F212-M214 WeakPolarHBondContact CE1-SD 3.42Å; F212-M214 HydrophobicContact CZ-CE 3.76Å; F212-M214 HydrophobicContact CZ-SD 4.29Å; M214-G217 WeakPolarHBondContact CE-O 3.45Å; M214-L218 HydrophobicContact SD-CD2 4.38Å; M214-L246 HydrophobicContact CE-CB 4.04Å; M214-L246 HydrophobicContact CE-CD2 3.12Å; M214-L246 HydrophobicContact CE-CG 4.07Å; M214-I286 HydrophobicContact SD-CG2 4.04Å; M214-A287 PolarHBondContact N-O 3.07Å; M214-A287 VanDerWaalsContact N-O 3.09Å; M214-R288 HydrophobicContact CG-CB 4.36Å; M214-R288 VanDerWaalsContact O-CA 3.25Å; M214-R288 WeakPolarHBondContact O-CA 3.23Å
215H96.2Very high92.4Very high0 Ų021 Ų210%012%0.124CC..SBendtrans-75.9-60.2176.7-176.353.8000113.2D106 L132 D134 G165 N166 L247 A289 H290D106-H215 IonicContact OD1-CE1 3.87Å; D106-H215 PolarHBondContact OD1-CE1 2.95Å; D106-H215 VanDerWaalsContact OD1-CE1 3.24Å; D106-H215 IonicContact OD1-ND1 3.32Å; D106-H215 IonicContact OD2-CE1 2.75Å; L132-H215 WeakPolarHBondContact O-CA 3.2Å; L132-H215 VanDerWaalsContact O-CB 3.31Å; L132-H215 WeakPolarHBondContact O-CB 3.36Å; D134-H215 IonicContact OD1-CD2 3.56Å; D134-H215 IonicContact OD1-CE1 3.75Å; D134-H215 PolarHBondContact OD1-CE1 2.56Å; D134-H215 IonicContact OD1-NE2 3.96Å; D134-H215 PolarHBondContact OD1-NE2 2.87Å; D134-H215 VanDerWaalsContact OD1-NE2 3.11Å; D134-H215 IonicContact OD2-CE1 3.5Å; D134-H215 PolarHBondContact OD2-CE1 2.83Å; D134-H215 IonicContact OD2-NE2 3.12Å; D134-H215 PolarHBondContact OD2-NE2 3.43Å; G165-H215 VanDerWaalsContact CA-CD2 3.47Å; G165-H215 WeakPolarHBondContact CA-CD2 3.37Å; G165-H215 VanDerWaalsContact CA-CG 3.46Å; N166-H215 PolarHBondContact N-CD2 2.86Å; N166-H215 VanDerWaalsContact N-CD2 3.29Å; N166-H215 PolarHBondContact OD1-CD2 3.4Å; N166-H215 PolarHBondContact OD1-NE2 2.89Å; H215-L247 HydrophobicContact CB-CD2 3.89Å; H215-L247 PolarHBondContact CD2-O 3.47Å; H215-A289 PolarHBondContact O-N 3.3Å; H215-H290 WeakPolarHBondContact O-CB 3.47Å; H215-H290 PolarHBondContact O-N 3.32Å
216G94Very high92.2Very high0 Ų025.9 Ų25.90%015%0.15CC..SBendtrans-88.2-113.4-178.100000111.2L246 A249 R288G216-L246 CarbonylContact C-O 3.59Å; G216-L246 WeakPolarHBondContact CA-O 3.3Å; G216-L246 PolarHBondContact N-O 3.48Å; G216-A249 CarbonylContact C-O 3.56Å; G216-R288 VanDerWaalsContact C-CZ 3.42Å; G216-R288 WeakPolarHBondContact O-CB 3.29Å; G216-R288 WeakPolarHBondContact O-CD 3.48Å; G216-R288 PolarHBondContact O-NE 2.99Å; G216-R288 PolarHBondContact O-NH1 3.1Å; G216-R288 PolarHBondContact O-NH2 2.73Å
217G92.5Very high92.1Very high0 Ų028.4 Ų28.40%016%0.162CC..  trans-149.1-164.8-17200000114.4M214 L246 A249M214-G217 WeakPolarHBondContact CE-O 3.45Å; G217-L246 PolarHBondContact N-O 2.72Å; G217-L246 WeakPolarHBondContact O-CA 3.29Å; G217-A249 WeakPolarHBondContact CA-O 3.37Å; G217-A249 PolarHBondContact N-O 3.12Å; G217-A249 VanDerWaalsContact N-O 3.1Å
218L94.2Very high92.2Very high0 Ų028.4 Ų28.40%016%0.162CC..  trans-72.4155.4-176.2-61.2178.2000111.7F212 M214 A249 W258 F269 V273 V274 F277 I286F212-L218 HydrophobicContact CD1-CD2 4.39Å; F212-L218 HydrophobicContact CE1-CD2 4.22Å; M214-L218 HydrophobicContact SD-CD2 4.38Å; L218-A249 VanDerWaalsContact O-CB 3.24Å; L218-A249 WeakPolarHBondContact O-CB 3.4Å; L218-W258 VanDerWaalsContact C-CH2 3.49Å; L218-W258 HydrophobicContact CB-CH2 3.62Å; L218-W258 HydrophobicContact CB-CZ3 4.36Å; L218-W258 WeakPolarHBondContact O-CH2 3.46Å; L218-W258 WeakPolarHBondContact O-CZ3 3.39Å; L218-F269 HydrophobicContact CB-CD1 4.48Å; L218-F269 HydrophobicContact CB-CE1 4.29Å; L218-F269 HydrophobicContact CB-CZ 4.38Å; L218-F269 HydrophobicContact CD1-CE2 4.39Å; L218-F269 HydrophobicContact CG-CE2 4.46Å; L218-F269 HydrophobicContact CG-CZ 4.35Å; L218-V273 HydrophobicContact CD1-CG1 4.31Å; L218-V274 HydrophobicContact CD1-CG2 4.31Å; L218-F277 HydrophobicContact CD1-CB 3.72Å; L218-F277 HydrophobicContact CD1-CD1 3.94Å; L218-F277 HydrophobicContact CD1-CD2 4.17Å; L218-F277 HydrophobicContact CD1-CG 3.68Å; L218-F277 HydrophobicContact CD2-CD1 3.68Å; L218-F277 HydrophobicContact CD2-CD2 4.09Å; L218-F277 HydrophobicContact CD2-CE1 3.5Å; L218-F277 VanDerWaalsContact CD2-CE1 3.5Å; L218-F277 HydrophobicContact CD2-CE2 3.95Å; L218-F277 HydrophobicContact CD2-CG 3.96Å; L218-F277 HydrophobicContact CD2-CZ 3.64Å; L218-F277 HydrophobicContact CG-CD1 4.47Å; L218-F277 HydrophobicContact CG-CG 4.44Å; L218-I286 HydrophobicContact CD1-CD1 3.83Å; L218-I286 HydrophobicContact CD2-CD1 3.9Å; L218-I286 HydrophobicContact CG-CD1 4.12Å
219S93.6Very high92.5Very high1 Ų130.1 Ų30.11%0.00717%0.165CC..  trans-110.6141.1171.91770000111.3S221 L222 L242 D245S219-S221 PolarHBondContact O-N 3.09Å; S219-S221 WeakPolarHBondContact OG-CB 3.39Å; S219-S221 PolarHBondContact OG-N 3.4Å; S219-L222 PolarHBondContact O-N 3.22Å; S219-L242 VanDerWaalsContact CB-CD1 3.49Å; S219-D245 VanDerWaalsContact CB-CB 3.45Å; S219-D245 WeakPolarHBondContact CB-OD2 3.23Å; S219-D245 PolarHBondContact OG-OD2 3.4Å
220P92.2Very high92.7Very high54 Ų5431.1 Ų31.135%0.35118%0.175SC..THydrogen-bonded Turntrans-63-21.516926.6-33.4000112.4W258 Y267P220-W258 HydrophobicContact CB-CD2 3.96Å; P220-W258 HydrophobicContact CB-CE3 4.37Å; P220-W258 HydrophobicContact CB-CG 4.3Å; P220-W258 HydrophobicContact CB-CZ2 4.16Å; P220-W258 HydrophobicContact CG-CD2 4.42Å; P220-W258 HydrophobicContact CG-CE3 4.39Å; P220-W258 VanDerWaalsContact N-CH2 3.35Å; P220-Y267 HydrophobicContact CG-CD1 4.39Å; P220-Y267 HydrophobicContact CG-CD2 3.74Å; P220-Y267 HydrophobicContact CG-CE1 4.26Å; P220-Y267 HydrophobicContact CG-CE2 3.57Å; P220-Y267 HydrophobicContact CG-CG 4.16Å
221S90.5Very high92.8Very high62 Ų6230.9 Ų30.943%0.43418%0.177SC..THydrogen-bonded Turntrans-84-8.3179.3-55.30000113.5S219 A223 Q227S219-S221 PolarHBondContact O-N 3.09Å; S219-S221 WeakPolarHBondContact OG-CB 3.39Å; S219-S221 PolarHBondContact OG-N 3.4Å; S221-A223 PolarHBondContact O-N 3.49Å; S221-Q227 PolarHBondContact O-NE2 3.43Å; S221-Q227 PolarHBondContact O-OE1 2.83Å
222L92.2Very high92.7Very high1 Ų136.2 Ų36.21%0.00521%0.21CC..  trans-86.395.8-179.1-171.359.7000111.2F212 S219 N224 Q227 I228 L242 L246 F277 R280F212-L222 HydrophobicContact CE1-CD2 4.24Å; F212-L222 HydrophobicContact CZ-CD2 4.22Å; S219-L222 PolarHBondContact O-N 3.22Å; L222-N224 VanDerWaalsContact CD1-O 3.31Å; L222-N224 WeakPolarHBondContact CD1-O 3.39Å; L222-Q227 HydrophobicContact CD1-CB 4.44Å; L222-I228 HydrophobicContact CD1-CD1 3.9Å; L222-I228 HydrophobicContact CD1-CG1 3.85Å; L222-I228 HydrophobicContact CD2-CD1 4.1Å; L222-L242 HydrophobicContact CB-CD1 3.73Å; L222-L242 HydrophobicContact CD1-CD1 4.03Å; L222-L242 HydrophobicContact CD1-CD2 4.33Å; L222-L242 HydrophobicContact CG-CD1 4.33Å; L222-L246 HydrophobicContact CD2-CD2 4.09Å; L222-F277 HydrophobicContact CB-CE2 4.41Å; L222-F277 HydrophobicContact CD2-CE2 3.72Å; L222-F277 HydrophobicContact CD2-CZ 3.64Å; L222-F277 HydrophobicContact CG-CE2 3.99Å; L222-F277 HydrophobicContact CG-CZ 4.32Å; L222-R280 PolarHBondContact O-NH1 3.23Å
223A89.5Confident92.6Very high55 Ų5537.7 Ų37.746%0.45522%0.216SC..SBendtrans-87.4-40.4175.400000112.6S221 Q227 R280S221-A223 PolarHBondContact O-N 3.49Å; A223-Q227 VanDerWaalsContact CB-OE1 3.31Å; A223-R280 PolarHBondContact O-NH1 3.03Å
224N91Very high92.5Very high70 Ų7040.7 Ų40.737%0.37424%0.235SC..SBendtrans-150159.8-179.461.770.2000111.6L222 N226 Q227L222-N224 VanDerWaalsContact CD1-O 3.31Å; L222-N224 WeakPolarHBondContact CD1-O 3.39Å; N224-N226 VanDerWaalsContact C-N 3.26Å; N224-N226 PolarHBondContact O-N 2.96Å; N224-N226 WeakPolarHBondContact OD1-CB 3.34Å; N224-N226 PolarHBondContact OD1-N 3.38Å; N224-N226 VanDerWaalsContact OD1-N 3.15Å; N224-Q227 PolarHBondContact O-N 3.4Å; N224-Q227 PolarHBondContact O-OE1 2.87Å; N224-Q227 PolarHBondContact OD1-N 3.24Å
225F92.9Very high92.2Very high31 Ų3142.8 Ų42.814%0.13625%0.246CC..THydrogen-bonded Turntrans-66.9-23.2-177.4-71.1-51000114.1L94 L206 F212 Q227 I228 R229 F277 M281 I283L94-F225 HydrophobicContact CD2-CB 3.7Å; L94-F225 HydrophobicContact CD2-CD1 4.08Å; L94-F225 HydrophobicContact CD2-CG 4.02Å; L206-F225 HydrophobicContact CD1-CE2 4.43Å; L206-F225 HydrophobicContact CD1-CZ 4.26Å; L206-F225 HydrophobicContact CD2-CE2 4.42Å; F212-F225 HydrophobicContact CB-CZ 4.47Å; F212-F225 HydrophobicContact CD1-CE1 4.31Å; F212-F225 HydrophobicContact CD2-CD1 4.3Å; F212-F225 AromaticContact CD2-CE1 3.5Å; F212-F225 HydrophobicContact CD2-CE1 3.5Å; F212-F225 VanDerWaalsContact CD2-CE1 3.5Å; F212-F225 HydrophobicContact CD2-CZ 4.14Å; F212-F225 HydrophobicContact CE1-CE1 4.39Å; F212-F225 HydrophobicContact CE2-CD1 4.06Å; F212-F225 AromaticContact CE2-CE1 3.61Å; F212-F225 HydrophobicContact CE2-CE1 3.61Å; F212-F225 AromaticContact CG-CE1 3.88Å; F212-F225 HydrophobicContact CG-CE1 3.88Å; F212-F225 HydrophobicContact CG-CZ 4.26Å; F212-F225 HydrophobicContact CZ-CE1 4.08Å; F225-Q227 PolarHBondContact O-N 3.32Å; F225-I228 PolarHBondContact O-N 3.47Å; F225-R229 PolarHBondContact O-N 2.88Å; F225-F277 HydrophobicContact CE1-CZ 4.47Å; F225-M281 HydrophobicContact CB-CE 4.3Å; F225-M281 HydrophobicContact CD1-CE 3.36Å; F225-M281 HydrophobicContact CD2-CE 3.58Å; F225-M281 HydrophobicContact CE1-CE 3.35Å; F225-M281 HydrophobicContact CE2-CB 4.02Å; F225-M281 HydrophobicContact CE2-CE 3.58Å; F225-M281 HydrophobicContact CG-CE 3.46Å; F225-M281 VanDerWaalsContact CG-CE 3.46Å; F225-M281 HydrophobicContact CZ-CB 3.97Å; F225-M281 HydrophobicContact CZ-CE 3.46Å; F225-M281 VanDerWaalsContact CZ-CE 3.46Å; F225-M281 HydrophobicContact CZ-CG 4.48Å; F225-I283 HydrophobicContact CE2-CG2 4.12Å; F225-I283 HydrophobicContact CZ-CG2 3.94Å
226N92Very high92Very high102 Ų10247 Ų4755%0.54527%0.273SS..Hα-helixtrans-62.4-27.6178.6-65.9-22.2000112N224 I228 R229 V230N224-N226 VanDerWaalsContact C-N 3.26Å; N224-N226 PolarHBondContact O-N 2.96Å; N224-N226 WeakPolarHBondContact OD1-CB 3.34Å; N224-N226 PolarHBondContact OD1-N 3.38Å; N224-N226 VanDerWaalsContact OD1-N 3.15Å; N226-I228 PolarHBondContact O-N 2.91Å; N226-R229 PolarHBondContact O-N 3.02Å; N226-V230 WeakPolarHBondContact O-CG1 3.46Å; N226-V230 WeakPolarHBondContact O-CG2 3.3Å; N226-V230 PolarHBondContact O-N 3.01Å
227Q92.8Very high91.7Very high61 Ų6148.4 Ų48.429%0.28528%0.281SS..Hα-helixtrans-61.7-27.6174.5-68.1174.2-86.600113.3S221 L222 A223 N224 F225 C231 L242S221-Q227 PolarHBondContact O-NE2 3.43Å; S221-Q227 PolarHBondContact O-OE1 2.83Å; L222-Q227 HydrophobicContact CD1-CB 4.44Å; A223-Q227 VanDerWaalsContact CB-OE1 3.31Å; N224-Q227 PolarHBondContact O-N 3.4Å; N224-Q227 PolarHBondContact O-OE1 2.87Å; N224-Q227 PolarHBondContact OD1-N 3.24Å; F225-Q227 PolarHBondContact O-N 3.32Å; Q227-C231 PolarHBondContact O-SG 2.92Å; Q227-C231 VanDerWaalsContact O-SG 3.39Å; Q227-L242 HydrophobicContact CB-CD2 3.91Å
228I93.1Very high91.6Very high0 Ų051.3 Ų51.30%030%0.299CS..Hα-helixtrans-83-41174.2-56.7175.4000110T93 L94 A204 F212 L222 F225 N226 V230 C231 L242 L246T93-I228 HydrophobicContact CG2-CG2 4.14Å; L94-I228 HydrophobicContact CB-CB 4.36Å; L94-I228 HydrophobicContact CB-CG2 3.93Å; A204-I228 HydrophobicContact CB-CD1 4.43Å; F212-I228 HydrophobicContact CE2-CD1 4.11Å; F212-I228 HydrophobicContact CZ-CD1 3.81Å; L222-I228 HydrophobicContact CD1-CD1 3.9Å; L222-I228 HydrophobicContact CD1-CG1 3.85Å; L222-I228 HydrophobicContact CD2-CD1 4.1Å; F225-I228 PolarHBondContact O-N 3.47Å; N226-I228 PolarHBondContact O-N 2.91Å; I228-V230 VanDerWaalsContact C-N 3.32Å; I228-V230 PolarHBondContact O-N 3.03Å; I228-C231 WeakPolarHBondContact O-CB 3.49Å; I228-C231 PolarHBondContact O-N 3.4Å; I228-L242 HydrophobicContact CG1-CD2 4.35Å; I228-L246 HydrophobicContact CD1-CD1 3.72Å; I228-L246 HydrophobicContact CG1-CD1 4.04Å
229R92.5Very high91Very high73 Ų7359.8 Ų59.828%0.27534%0.339SS..Hα-helixtrans-61.7-34.9-179.2-66.7-175.2-168.1-104.24.3113.8E92 L94 E96 F225 N226 C231E92-R229 IonicContact OE2-CZ 3.68Å; E92-R229 IonicContact OE2-NH1 3.54Å; E92-R229 PolarHBondContact OE2-NH1 3.33Å; L94-R229 HydrophobicContact CB-CG 3.96Å; L94-R229 HydrophobicContact CD2-CG 4.14Å; E96-R229 IonicContact OE1-CZ 2.83Å; E96-R229 IonicContact OE1-NH1 2.87Å; E96-R229 PolarHBondContact OE1-NH1 3Å; E96-R229 IonicContact OE1-NH2 2.89Å; E96-R229 PolarHBondContact OE1-NH2 3.39Å; F225-R229 PolarHBondContact O-N 2.88Å; N226-R229 PolarHBondContact O-N 3.02Å; R229-C231 VanDerWaalsContact C-N 3.27Å; R229-C231 PolarHBondContact O-N 3.08Å
230V91.7Very high90.7Very high109 Ų10967.8 Ų67.866%0.66138%0.376SS*.THydrogen-bonded Turntrans-75.9-11.6179.9-62.90000113.9N226 I228 T232N226-V230 WeakPolarHBondContact O-CG1 3.46Å; N226-V230 WeakPolarHBondContact O-CG2 3.3Å; N226-V230 PolarHBondContact O-N 3.01Å; I228-V230 VanDerWaalsContact C-N 3.32Å; I228-V230 PolarHBondContact O-N 3.03Å; V230-T232 PolarHBondContact O-N 3.22Å
231C89.4Confident90.6Very high25 Ų2566.7 Ų66.717%0.16937%0.374CS..  trans-69.6114.3175.4-68.40000109.4T93 Q227 I228 R229T93-C231 HydrophobicContact CG2-CB 4.06Å; T93-C231 PolarHBondContact OG1-O 3.39Å; Q227-C231 PolarHBondContact O-SG 2.92Å; Q227-C231 VanDerWaalsContact O-SG 3.39Å; I228-C231 WeakPolarHBondContact O-CB 3.49Å; I228-C231 PolarHBondContact O-N 3.4Å; R229-C231 VanDerWaalsContact C-N 3.27Å; R229-C231 PolarHBondContact O-N 3.08Å
232T89.4Confident90.7Very high117 Ų11765 Ų6572%0.71836%0.361SS*.  trans-83134.7179.348.10000110.5V230 I235V230-T232 PolarHBondContact O-N 3.22Å; T232-I235 WeakPolarHBondContact O-CB 3.13Å
233R93Very high90.7Very high31 Ų3165.5 Ų65.512%0.11736%0.363CS..SBendtrans-104145.7174.5-65.3179.9-66.5130.95.3108.9L88 L89 D91 T93 C200 L201 P202 I235L88-R233 PolarHBondContact O-NH1 3.38Å; L88-R233 PolarHBondContact O-NH2 3.32Å; L89-R233 HydrophobicContact CD2-CB 4.2Å; D91-R233 VanDerWaalsContact C-NH2 3.29Å; D91-R233 PolarHBondContact O-NH2 3.4Å; T93-R233 HydrophobicContact CG2-CG 4.46Å; T93-R233 PolarHBondContact OG1-NE 3.04Å; C200-R233 PolarHBondContact O-NH1 2.97Å; L201-R233 VanDerWaalsContact C-NH1 3.31Å; L201-R233 WeakPolarHBondContact O-CD 3.19Å; P202-R233 VanDerWaalsContact N-NH1 3.11Å; R233-I235 HydrophobicContact CG-CG2 4.11Å
234P92.8Very high90.8Very high63 Ų6363 Ų6341%0.40934%0.342SS..SBendcis-76.1138.88.6-823.7000113.2L89 D199 C200L89-P234 HydrophobicContact CD2-CG 4.39Å; D199-P234 HydrophobicContact CB-CB 3.81Å; D199-P234 CarbonylContact O-C 3.59Å; D199-P234 WeakPolarHBondContact O-CA 3.48Å; C200-P234 VanDerWaalsContact SG-CG 3.59Å
235I91.4Very high91Very high44 Ų4459.8 Ų59.823%0.22633%0.325CS..  trans-139.6122179.4-174.2162.3000111.6R164 D199 T232 R233 L243R164-I235 PolarHBondContact NH1-O 2.98Å; D199-I235 PolarHBondContact O-N 2.89Å; T232-I235 WeakPolarHBondContact O-CB 3.13Å; R233-I235 HydrophobicContact CG-CG2 4.11Å; I235-L243 HydrophobicContact CD1-CD1 3.73Å; I235-L243 HydrophobicContact CG1-CD1 4.29Å; I235-L243 HydrophobicContact CG2-CD1 4.23Å
236P90.7Very high91.1Very high88 Ų8858.3 Ų58.357%0.57132%0.319SS*.PPolyproline II helixtrans-65.6138.1167-20.833.1000110.6D199 P238D199-P236 WeakPolarHBondContact OD1-CA 3.01Å; P236-P238 WeakPolarHBondContact O-CD 3.26Å
237I89.4Confident91.2Very high30 Ų3053.5 Ų53.515%0.15429%0.293CS..PPolyproline II helixtrans-71.1123.2178.6-56.3-60000109.5L243 C244 L247I237-L243 HydrophobicContact CD1-CB 4.17Å; I237-L243 HydrophobicContact CD1-CD1 4.5Å; I237-C244 HydrophobicContact CG2-CB 4.41Å; I237-L247 HydrophobicContact CB-CD1 4.47Å; I237-L247 HydrophobicContact CD1-CD1 3.77Å; I237-L247 HydrophobicContact CG1-CD1 3.67Å; I237-L247 HydrophobicContact CG2-CD1 4.07Å
238P89Confident91.2Very high60 Ų6052.4 Ų52.439%0.3929%0.286SS..PPolyproline II helixtrans-69.1160.3176.429.8-35000111.5P236 E240 C244P236-P238 WeakPolarHBondContact O-CD 3.26Å; P238-E240 VanDerWaalsContact C-N 3.26Å; P238-E240 WeakPolarHBondContact CG-O 3.48Å; P238-E240 PolarHBondContact O-N 3.22Å; P238-C244 WeakPolarHBondContact O-CB 3.23Å
239E83.1Confident91.2Very high179 Ų17952.4 Ų52.484%0.83629%0.286SS*.SBendtrans-66-28.1177.4-64.8-176.9171.500112.8C244E239-C244 PolarHBondContact O-SG 2.9Å
240E86.1Confident91.2Very high169 Ų16949.3 Ų49.379%0.7928%0.275SS*.SBendtrans-136.3158.5179-63.6-175.6174.400111.5P238P238-E240 VanDerWaalsContact C-N 3.26Å; P238-E240 WeakPolarHBondContact CG-O 3.48Å; P238-E240 PolarHBondContact O-N 3.22Å
241G89.9Confident91.3Very high30 Ų3045.1 Ų45.131%0.30925%0.25SS..SBendtrans107.4-173.6173.400000114.1L243 C244 D245G241-L243 PolarHBondContact O-N 3.38Å; G241-C244 WeakPolarHBondContact O-CB 3.36Å; G241-C244 PolarHBondContact O-N 3.18Å; G241-C244 VanDerWaalsContact O-N 3.09Å; G241-D245 VanDerWaalsContact O-CG 3.24Å; G241-D245 PolarHBondContact O-N 2.79Å
242L92.2Very high91.3Very high28 Ų2847.7 Ų47.715%0.14726%0.259CS..Hα-helixtrans-50.3-52.1-169.2175.459.7000113.1S219 L222 Q227 I228 C244 D245 L246S219-L242 VanDerWaalsContact CB-CD1 3.49Å; L222-L242 HydrophobicContact CB-CD1 3.73Å; L222-L242 HydrophobicContact CD1-CD1 4.03Å; L222-L242 HydrophobicContact CD1-CD2 4.33Å; L222-L242 HydrophobicContact CG-CD1 4.33Å; Q227-L242 HydrophobicContact CB-CD2 3.91Å; I228-L242 HydrophobicContact CG1-CD2 4.35Å; L242-C244 PolarHBondContact O-N 2.82Å; L242-D245 PolarHBondContact O-N 2.96Å; L242-L246 HydrophobicContact CD1-CD1 4.3Å; L242-L246 HydrophobicContact CD1-CD2 4.18Å; L242-L246 HydrophobicContact CD1-CG 4.18Å; L242-L246 HydrophobicContact CG-CD1 4.42Å; L242-L246 WeakPolarHBondContact O-CG 3.26Å; L242-L246 PolarHBondContact O-N 3.08Å; L242-L246 VanDerWaalsContact O-N 3.08Å
243L92.3Very high91.2Very high10 Ų1050.5 Ų50.55%0.05226%0.257CS..Hα-helixtrans-66.1-37.3-177-64.5-178.6000112.8V203 I235 I237 G241 L247V203-L243 HydrophobicContact CB-CD2 4.49Å; V203-L243 HydrophobicContact CG1-CD2 4.13Å; V203-L243 HydrophobicContact CG2-CD2 4.17Å; I235-L243 HydrophobicContact CD1-CD1 3.73Å; I235-L243 HydrophobicContact CG1-CD1 4.29Å; I235-L243 HydrophobicContact CG2-CD1 4.23Å; I237-L243 HydrophobicContact CD1-CB 4.17Å; I237-L243 HydrophobicContact CD1-CD1 4.5Å; G241-L243 PolarHBondContact O-N 3.38Å; L243-L247 WeakPolarHBondContact O-CG 3.43Å
244C92.8Very high90.9Very high2 Ų260.3 Ų60.31%0.01429%0.294CS..Hα-helixtrans-62.3-47.2174.4-176.30000110.4I237 P238 E239 G241 L242 L246 L247 W248I237-C244 HydrophobicContact CG2-CB 4.41Å; P238-C244 WeakPolarHBondContact O-CB 3.23Å; E239-C244 PolarHBondContact O-SG 2.9Å; G241-C244 WeakPolarHBondContact O-CB 3.36Å; G241-C244 PolarHBondContact O-N 3.18Å; G241-C244 VanDerWaalsContact O-N 3.09Å; L242-C244 PolarHBondContact O-N 2.82Å; C244-L246 PolarHBondContact O-N 2.89Å; C244-L247 PolarHBondContact O-N 3.4Å; C244-L247 VanDerWaalsContact O-N 3.1Å; C244-W248 WeakPolarHBondContact O-CB 3.49Å; C244-W248 PolarHBondContact O-N 3.38Å
245D94Very high90.7Very high4 Ų458.4 Ų58.42%0.02128%0.28CS..Hα-helixtrans-60.4-41.7-179.5-62.7-25000112.5S219 G241 L242 L247 W248 A249 G266 Y267S219-D245 VanDerWaalsContact CB-CB 3.45Å; S219-D245 WeakPolarHBondContact CB-OD2 3.23Å; S219-D245 PolarHBondContact OG-OD2 3.4Å; G241-D245 VanDerWaalsContact O-CG 3.24Å; G241-D245 PolarHBondContact O-N 2.79Å; L242-D245 PolarHBondContact O-N 2.96Å; D245-L247 PolarHBondContact O-N 3.14Å; D245-L247 VanDerWaalsContact O-N 3.17Å; D245-W248 PolarHBondContact O-N 3.28Å; D245-A249 WeakPolarHBondContact O-CB 3.18Å; D245-A249 PolarHBondContact O-N 2.98Å; D245-G266 WeakPolarHBondContact OD1-CA 3.32Å; D245-Y267 WeakPolarHBondContact OD1-CD2 3.47Å
246L94.9Very high90.5Very high0 Ų064.8 Ų64.80%031%0.306CS..Hα-helixtrans-61.8-23.7178.6-60.1177.3000113.1V203 M214 G216 G217 L222 I228 L242 C244V203-L246 HydrophobicContact CG1-CB 4.18Å; V203-L246 HydrophobicContact CG1-CD1 3.87Å; M214-L246 HydrophobicContact CE-CB 4.04Å; M214-L246 HydrophobicContact CE-CD2 3.12Å; M214-L246 HydrophobicContact CE-CG 4.07Å; G216-L246 CarbonylContact C-O 3.59Å; G216-L246 WeakPolarHBondContact CA-O 3.3Å; G216-L246 PolarHBondContact N-O 3.48Å; G217-L246 PolarHBondContact N-O 2.72Å; G217-L246 WeakPolarHBondContact O-CA 3.29Å; L222-L246 HydrophobicContact CD2-CD2 4.09Å; I228-L246 HydrophobicContact CD1-CD1 3.72Å; I228-L246 HydrophobicContact CG1-CD1 4.04Å; L242-L246 HydrophobicContact CD1-CD1 4.3Å; L242-L246 HydrophobicContact CD1-CD2 4.18Å; L242-L246 HydrophobicContact CD1-CG 4.18Å; L242-L246 HydrophobicContact CG-CD1 4.42Å; L242-L246 WeakPolarHBondContact O-CG 3.26Å; L242-L246 PolarHBondContact O-N 3.08Å; L242-L246 VanDerWaalsContact O-N 3.08Å; C244-L246 PolarHBondContact O-N 2.89Å
247L94.1Very high90.6Very high0 Ų061.4 Ų61.40%029%0.287CS..Hα-helixtrans-98.7-25.5179.7-58-176.4000113.3R164 N166 V203 H215 I237 L243 C244 D245R164-L247 WeakPolarHBondContact O-CD2 3.3Å; N166-L247 HydrophobicContact CB-CB 4.27Å; V203-L247 HydrophobicContact CG1-CD2 4.42Å; H215-L247 HydrophobicContact CB-CD2 3.89Å; H215-L247 PolarHBondContact CD2-O 3.47Å; I237-L247 HydrophobicContact CB-CD1 4.47Å; I237-L247 HydrophobicContact CD1-CD1 3.77Å; I237-L247 HydrophobicContact CG1-CD1 3.67Å; I237-L247 HydrophobicContact CG2-CD1 4.07Å; L243-L247 WeakPolarHBondContact O-CG 3.43Å; C244-L247 PolarHBondContact O-N 3.4Å; C244-L247 VanDerWaalsContact O-N 3.1Å; D245-L247 PolarHBondContact O-N 3.14Å; D245-L247 VanDerWaalsContact O-N 3.17Å
248W93.1Very high90.7Very high38 Ų3863.9 Ų63.914%0.14430%0.295CS..Hα-helixtrans-116.6-17.3-170.7-7595.3000115.9N166 I172 C244 D245 R263 A265N166-W248 HydrophobicContact CB-CD2 4.14Å; N166-W248 HydrophobicContact CB-CZ2 3.89Å; I172-W248 HydrophobicContact CD1-CH2 3.6Å; I172-W248 HydrophobicContact CD1-CZ2 3.54Å; I172-W248 HydrophobicContact CG1-CH2 4.05Å; I172-W248 HydrophobicContact CG1-CZ2 3.62Å; C244-W248 WeakPolarHBondContact O-CB 3.49Å; C244-W248 PolarHBondContact O-N 3.38Å; D245-W248 PolarHBondContact O-N 3.28Å; W248-R263 HydrophobicContact CE3-CB 4.41Å; W248-R263 HydrophobicContact CZ3-CB 4.46Å; W248-A265 HydrophobicContact CB-CB 4.17Å; W248-A265 HydrophobicContact CD2-CB 3.77Å; W248-A265 HydrophobicContact CE3-CB 4.17Å; W248-A265 HydrophobicContact CG-CB 3.77Å
249A93.3Very high90.9Very high0 Ų066.5 Ų66.50%030%0.3CS..  trans-70.1145.9-173.900000112.4G216 G217 L218 D245 Y267 F269 R288G216-A249 CarbonylContact C-O 3.56Å; G217-A249 WeakPolarHBondContact CA-O 3.37Å; G217-A249 PolarHBondContact N-O 3.12Å; G217-A249 VanDerWaalsContact N-O 3.1Å; L218-A249 VanDerWaalsContact O-CB 3.24Å; L218-A249 WeakPolarHBondContact O-CB 3.4Å; D245-A249 WeakPolarHBondContact O-CB 3.18Å; D245-A249 PolarHBondContact O-N 2.98Å; A249-Y267 CarbonylContact C-O 3.58Å; A249-Y267 WeakPolarHBondContact CA-O 3.42Å; A249-Y267 WeakPolarHBondContact CB-O 3.36Å; A249-F269 HydrophobicContact CB-CD1 4.31Å; A249-F269 HydrophobicContact CB-CE1 4.01Å; A249-R288 VanDerWaalsContact O-CZ 3.23Å; A249-R288 PolarHBondContact O-NH1 3.34Å; A249-R288 PolarHBondContact O-NH2 3.16Å
250D92.8Very high91.2Very high9 Ų963 Ų635%0.04829%0.292CS..EExtended strand (participates in β ladder)trans-127.9142.8-173.4-84.2-34.2000113.1R263 Y267 V268 F269 R288 H290D250-R263 IonicContact OD2-CZ 3.91Å; D250-R263 IonicContact OD2-NE 2.66Å; D250-R263 PolarHBondContact OD2-NE 3.11Å; D250-R263 IonicContact OD2-NH2 3.95Å; D250-R263 PolarHBondContact OD2-NH2 3.35Å; D250-Y267 PolarHBondContact N-O 3.46Å; D250-V268 HydrophobicContact CB-CG1 4.16Å; D250-V268 CarbonylContact O-C 3.51Å; D250-V268 WeakPolarHBondContact O-CA 3.33Å; D250-F269 WeakPolarHBondContact O-CD1 3.43Å; D250-F269 PolarHBondContact O-N 3.09Å; D250-R288 IonicContact OD1-CZ 2.82Å; D250-R288 IonicContact OD1-NH2 3.86Å; D250-R288 PolarHBondContact OD1-NH2 2.64Å; D250-H290 IonicContact OD1-CD2 3.78Å; D250-H290 PolarHBondContact OD1-CD2 3.08Å; D250-H290 IonicContact OD1-NE2 3.48Å; D250-H290 IonicContact OD2-CD2 2.7Å; D250-H290 IonicContact OD2-NE2 3.44Å
251P93Very high91.3Very high21 Ų2155.6 Ų55.614%0.13626%0.259CS..EExtended strand (participates in β ladder)trans-84.6134.6174.925.8-9.4000109.6F269 R288 F300 L305P251-F269 HydrophobicContact CB-CD2 4.47Å; P251-F269 HydrophobicContact CB-CE2 3.84Å; P251-F269 HydrophobicContact CB-CZ 4.03Å; P251-R288 VanDerWaalsContact CD-NH1 3.28Å; P251-F300 HydrophobicContact CB-CD1 3.72Å; P251-F300 HydrophobicContact CB-CD2 4.23Å; P251-F300 HydrophobicContact CB-CE1 3.73Å; P251-F300 HydrophobicContact CB-CE2 4.24Å; P251-F300 HydrophobicContact CB-CG 3.97Å; P251-F300 HydrophobicContact CB-CZ 4Å; P251-L305 HydrophobicContact CG-CD2 4.14Å
252Q90.9Very high91Very high78 Ų7863.3 Ų63.336%0.36429%0.287SS..  trans-129.5124.3179.9-166.5178.117.400111.7R254 I255 V268 F269Q252-R254 VanDerWaalsContact C-N 3.26Å; Q252-R254 PolarHBondContact O-N 3.24Å; Q252-I255 HydrophobicContact CB-CD1 3.93Å; Q252-I255 HydrophobicContact CB-CG1 4.02Å; Q252-I255 HydrophobicContact CG-CG2 4.43Å; Q252-V268 HydrophobicContact CB-CB 4.39Å; Q252-F269 PolarHBondContact N-O 3.25Å
253R86.3Confident90.5Very high177 Ų17767.5 Ų67.567%0.66830%0.302SS*.THydrogen-bonded Turntrans-63.6-23.8-174-67179-179.5-123.32.5114.9E298 F300R253-E298 IonicContact CZ-OE1 3.8Å; R253-E298 IonicContact NE-OE1 2.89Å; R253-E298 PolarHBondContact NE-OE1 3.4Å; R253-E298 IonicContact NH2-OE1 3.75Å; R253-E298 PolarHBondContact NH2-OE1 3.36Å; R253-F300 HydrophobicContact CB-CE2 4.38Å; R253-F300 HydrophobicContact CG-CD2 4.07Å; R253-F300 HydrophobicContact CG-CE2 3.78Å
254R86.2Confident89.9Confident236 Ų23670.6 Ų70.689%0.89134%0.336SS*.THydrogen-bonded Turntrans-10410.3-169.9-64.8-174.4-179.1176.11.5114.5Q252Q252-R254 VanDerWaalsContact C-N 3.26Å; Q252-R254 PolarHBondContact O-N 3.24Å
255I88.4Confident89.4Confident23 Ų2371.4 Ų71.412%0.11834%0.342CS..  trans-120.3155.9179.470.3176.7000110.8Q252 K259 V268 G270Q252-I255 HydrophobicContact CB-CD1 3.93Å; Q252-I255 HydrophobicContact CB-CG1 4.02Å; Q252-I255 HydrophobicContact CG-CG2 4.43Å; I255-K259 HydrophobicContact CG2-CD 4.21Å; I255-V268 HydrophobicContact CD1-CB 3.76Å; I255-V268 HydrophobicContact CD1-CG2 3.53Å; I255-V268 WeakPolarHBondContact CD1-O 3.44Å; I255-G270 VanDerWaalsContact O-CA 3.31Å; I255-G270 WeakPolarHBondContact O-CA 3.46Å
256K88.8Confident89.1Confident178 Ų17871.9 Ų71.977%0.77435%0.348SS*.SBendtrans-120.2132.6172-170.4178.9-178.3-179.80107.6D272K256-D272 WeakPolarHBondContact CA-OD1 3.42Å; K256-D272 HydrophobicContact CG-CB 4.48Å; K256-D272 VanDerWaalsContact CG-OD2 3.24Å; K256-D272 WeakPolarHBondContact CG-OD2 3.42Å
257G91.6Very high88.9Confident17 Ų1775.9 Ų75.918%0.17536%0.364CS..SBendtrans74.1-147.9-172.500000113.4F269 G270 D272 V273G257-F269 WeakPolarHBondContact O-CA 3.49Å; G257-G270 PolarHBondContact O-N 3.09Å; G257-D272 PolarHBondContact N-OD1 3.05Å; G257-D272 PolarHBondContact N-OD2 3.45Å; G257-V273 WeakPolarHBondContact O-CG2 3.5Å
258W92.9Very high88.9Confident83 Ų8376.7 Ų76.731%0.31437%0.369SS..EExtended strand (participates in β ladder)trans-107.9144.3-175.7-59.894.7000111.9L218 P220 Y267 V268 F269 V273L218-W258 VanDerWaalsContact C-CH2 3.49Å; L218-W258 HydrophobicContact CB-CH2 3.62Å; L218-W258 HydrophobicContact CB-CZ3 4.36Å; L218-W258 WeakPolarHBondContact O-CH2 3.46Å; L218-W258 WeakPolarHBondContact O-CZ3 3.39Å; P220-W258 HydrophobicContact CB-CD2 3.96Å; P220-W258 HydrophobicContact CB-CE3 4.37Å; P220-W258 HydrophobicContact CB-CG 4.3Å; P220-W258 HydrophobicContact CB-CZ2 4.16Å; P220-W258 HydrophobicContact CG-CD2 4.42Å; P220-W258 HydrophobicContact CG-CE3 4.39Å; P220-W258 VanDerWaalsContact N-CH2 3.35Å; W258-Y267 HydrophobicContact CB-CD1 4.36Å; W258-Y267 HydrophobicContact CE3-CG 4.23Å; W258-V268 WeakPolarHBondContact CA-O 3.36Å; W258-F269 HydrophobicContact CD2-CB 4.24Å; W258-F269 HydrophobicContact CE3-CB 3.69Å; W258-F269 HydrophobicContact CE3-CD1 4.46Å; W258-F269 HydrophobicContact CE3-CG 4.48Å; W258-F269 HydrophobicContact CH2-CB 4.33Å; W258-F269 HydrophobicContact CH2-CD1 4.48Å; W258-F269 HydrophobicContact CZ3-CB 3.73Å; W258-F269 AromaticContact CZ3-CD1 3.83Å; W258-F269 HydrophobicContact CZ3-CD1 3.83Å; W258-F269 HydrophobicContact CZ3-CG 4.05Å; W258-V273 HydrophobicContact CD2-CG1 4.33Å; W258-V273 HydrophobicContact CD2-CG2 4.47Å; W258-V273 HydrophobicContact CH2-CG1 3.74Å; W258-V273 HydrophobicContact CZ2-CG1 3.23Å; W258-V273 HydrophobicContact CZ3-CG1 4.45Å
259K91.8Very high88.9Confident115 Ų11574.9 Ų74.950%0.536%0.362SS..EExtended strand (participates in β ladder)trans-138.7153.5163.2-62.2-176.8176.6-178.20110.4I255 Y267 V268I255-K259 HydrophobicContact CG2-CD 4.21Å; K259-Y267 CarbonylContact O-C 3.52Å; K259-Y267 WeakPolarHBondContact O-CA 3.4Å; K259-Y267 WeakPolarHBondContact O-CD1 3.33Å; K259-V268 HydrophobicContact CB-CG2 3.7Å; K259-V268 PolarHBondContact N-O 3.04Å; K259-V268 WeakPolarHBondContact O-CG2 3.45Å; K259-V268 PolarHBondContact O-N 2.58Å
260P90Very high88.9Confident104 Ų10474.9 Ų74.968%0.67536%0.362SS*.EExtended strand (participates in β ladder)trans-57.7140.9171.4-23.434.4000111.5
261S88.2Confident88.9Confident14 Ų1476.1 Ų76.110%0.09837%0.374CS..  trans-70.8141.9177.4-177.70000111.7R263 G264 A265 G266S261-R263 PolarHBondContact O-N 2.86Å; S261-R263 WeakPolarHBondContact OG-CB 3.25Å; S261-R263 PolarHBondContact OG-N 3.08Å; S261-G264 PolarHBondContact O-N 3.14Å; S261-A265 VanDerWaalsContact CB-O 3.23Å; S261-A265 WeakPolarHBondContact CB-O 3.36Å; S261-G266 VanDerWaalsContact CB-O 3.23Å; S261-G266 WeakPolarHBondContact CB-O 3.47Å; S261-G266 PolarHBondContact N-O 3.25Å
262E83.7Confident88.9Confident192 Ų19277.8 Ų77.890%0.89738%0.381SS*.THydrogen-bonded Turntrans-67.1-14.2171.9-64.9179.5-175.900112.3G264E262-G264 PolarHBondContact O-N 2.87Å
263R81.5Confident89.1Confident117 Ų11774.6 Ų74.644%0.44237%0.367SS..THydrogen-bonded Turntrans-72.1-11.3176.6-60.5179.6-177.2-81.20.6113.4W248 D250 S261 A265 H290W248-R263 HydrophobicContact CE3-CB 4.41Å; W248-R263 HydrophobicContact CZ3-CB 4.46Å; D250-R263 IonicContact OD2-CZ 3.91Å; D250-R263 IonicContact OD2-NE 2.66Å; D250-R263 PolarHBondContact OD2-NE 3.11Å; D250-R263 IonicContact OD2-NH2 3.95Å; D250-R263 PolarHBondContact OD2-NH2 3.35Å; S261-R263 PolarHBondContact O-N 2.86Å; S261-R263 WeakPolarHBondContact OG-CB 3.25Å; S261-R263 PolarHBondContact OG-N 3.08Å; R263-A265 VanDerWaalsContact C-N 3.25Å; R263-A265 PolarHBondContact O-N 3.04Å; R263-H290 PolarHBondContact NE-NE2 3.07Å; R263-H290 PolarHBondContact NH2-NE2 3.01Å
264G80.1Confident89.4Confident75 Ų7566.1 Ų66.177%0.77334%0.335SS*.SBendtrans81.2-2.1-175.500000114.7S261 E262S261-G264 PolarHBondContact O-N 3.14Å; E262-G264 PolarHBondContact O-N 2.87Å
265A82.6Confident89.6Confident18 Ų1857.2 Ų57.215%0.14930%0.304CS..SBendtrans-138.8140.9174.100000109.9W248 S261 R263W248-A265 HydrophobicContact CB-CB 4.17Å; W248-A265 HydrophobicContact CD2-CB 3.77Å; W248-A265 HydrophobicContact CE3-CB 4.17Å; W248-A265 HydrophobicContact CG-CB 3.77Å; S261-A265 VanDerWaalsContact CB-O 3.23Å; S261-A265 WeakPolarHBondContact CB-O 3.36Å; R263-A265 VanDerWaalsContact C-N 3.25Å; R263-A265 PolarHBondContact O-N 3.04Å
266G86.8Confident89.8Confident14 Ų1459 Ų5914%0.14432%0.318CS..SBendtrans74-172.3-179.100000115.4D245 S261D245-G266 WeakPolarHBondContact OD1-CA 3.32Å; S261-G266 VanDerWaalsContact CB-O 3.23Å; S261-G266 WeakPolarHBondContact CB-O 3.47Å; S261-G266 PolarHBondContact N-O 3.25Å
267Y91.5Very high90Very high84 Ų8450.5 Ų50.533%0.32928%0.281SS..EExtended strand (participates in β ladder)trans-120.6154.6-179.3-70.7-96.6000111.8P220 D245 A249 D250 W258 K259P220-Y267 HydrophobicContact CG-CD1 4.39Å; P220-Y267 HydrophobicContact CG-CD2 3.74Å; P220-Y267 HydrophobicContact CG-CE1 4.26Å; P220-Y267 HydrophobicContact CG-CE2 3.57Å; P220-Y267 HydrophobicContact CG-CG 4.16Å; D245-Y267 WeakPolarHBondContact OD1-CD2 3.47Å; A249-Y267 CarbonylContact C-O 3.58Å; A249-Y267 WeakPolarHBondContact CA-O 3.42Å; A249-Y267 WeakPolarHBondContact CB-O 3.36Å; D250-Y267 PolarHBondContact N-O 3.46Å; W258-Y267 HydrophobicContact CB-CD1 4.36Å; W258-Y267 HydrophobicContact CE3-CG 4.23Å; K259-Y267 CarbonylContact O-C 3.52Å; K259-Y267 WeakPolarHBondContact O-CA 3.4Å; K259-Y267 WeakPolarHBondContact O-CD1 3.33Å
268V93Very high90Very high17 Ų1749.9 Ų49.910%0.10327%0.274CS..EExtended strand (participates in β ladder)trans-96.1141159.9-670000110D250 Q252 I255 W258 K259D250-V268 HydrophobicContact CB-CG1 4.16Å; D250-V268 CarbonylContact O-C 3.51Å; D250-V268 WeakPolarHBondContact O-CA 3.33Å; Q252-V268 HydrophobicContact CB-CB 4.39Å; I255-V268 HydrophobicContact CD1-CB 3.76Å; I255-V268 HydrophobicContact CD1-CG2 3.53Å; I255-V268 WeakPolarHBondContact CD1-O 3.44Å; W258-V268 WeakPolarHBondContact CA-O 3.36Å; K259-V268 HydrophobicContact CB-CG2 3.7Å; K259-V268 PolarHBondContact N-O 3.04Å; K259-V268 WeakPolarHBondContact O-CG2 3.45Å; K259-V268 PolarHBondContact O-N 2.58Å
269F94.1Very high89.9Confident0 Ų054.4 Ų54.40%029%0.291CS..EExtended strand (participates in β ladder)trans-132.4149.7-179.757.2-89.8000114.3L218 A249 D250 P251 Q252 G257 W258 V273 V274 L305L218-F269 HydrophobicContact CB-CD1 4.48Å; L218-F269 HydrophobicContact CB-CE1 4.29Å; L218-F269 HydrophobicContact CB-CZ 4.38Å; L218-F269 HydrophobicContact CD1-CE2 4.39Å; L218-F269 HydrophobicContact CG-CE2 4.46Å; L218-F269 HydrophobicContact CG-CZ 4.35Å; A249-F269 HydrophobicContact CB-CD1 4.31Å; A249-F269 HydrophobicContact CB-CE1 4.01Å; D250-F269 WeakPolarHBondContact O-CD1 3.43Å; D250-F269 PolarHBondContact O-N 3.09Å; P251-F269 HydrophobicContact CB-CD2 4.47Å; P251-F269 HydrophobicContact CB-CE2 3.84Å; P251-F269 HydrophobicContact CB-CZ 4.03Å; Q252-F269 PolarHBondContact N-O 3.25Å; G257-F269 WeakPolarHBondContact O-CA 3.49Å; W258-F269 HydrophobicContact CD2-CB 4.24Å; W258-F269 HydrophobicContact CE3-CB 3.69Å; W258-F269 HydrophobicContact CE3-CD1 4.46Å; W258-F269 HydrophobicContact CE3-CG 4.48Å; W258-F269 HydrophobicContact CH2-CB 4.33Å; W258-F269 HydrophobicContact CH2-CD1 4.48Å; W258-F269 HydrophobicContact CZ3-CB 3.73Å; W258-F269 AromaticContact CZ3-CD1 3.83Å; W258-F269 HydrophobicContact CZ3-CD1 3.83Å; W258-F269 HydrophobicContact CZ3-CG 4.05Å; F269-V273 HydrophobicContact CB-CB 4Å; F269-V273 HydrophobicContact CB-CG1 3.99Å; F269-V273 HydrophobicContact CB-CG2 4.07Å; F269-V273 HydrophobicContact CD2-CB 4.43Å; F269-V273 HydrophobicContact CD2-CG1 4.43Å; F269-V273 HydrophobicContact CG-CG1 4.41Å; F269-V274 HydrophobicContact CD2-CG2 3.8Å; F269-V274 HydrophobicContact CE2-CG2 3.51Å; F269-L305 HydrophobicContact CE2-CD1 3.96Å; F269-L305 HydrophobicContact CZ-CD1 4.09Å
270G93.5Very high89.9Confident0 Ų054.9 Ų54.90%029%0.29CS..  trans-84.2171.7178.900000114.2I255 G257 D272 V273I255-G270 VanDerWaalsContact O-CA 3.31Å; I255-G270 WeakPolarHBondContact O-CA 3.46Å; G257-G270 PolarHBondContact O-N 3.09Å; G270-D272 WeakPolarHBondContact CA-OD1 3.29Å; G270-D272 PolarHBondContact O-N 3.18Å; G270-V273 WeakPolarHBondContact O-CB 3.36Å; G270-V273 PolarHBondContact O-N 3.3Å
271A92.5Very high90Very high36 Ų3651.1 Ų51.130%0.29826%0.263SS..Hα-helixtrans-62.9-29.717700000112.8V273 V274 E275 F300 A301A271-V273 VanDerWaalsContact C-N 3.29Å; A271-V273 PolarHBondContact O-N 2.92Å; A271-V274 PolarHBondContact O-N 3.5Å; A271-E275 WeakPolarHBondContact O-CG 3.3Å; A271-E275 PolarHBondContact O-N 3.39Å; A271-F300 HydrophobicContact CB-CE1 4.08Å; A271-F300 HydrophobicContact CB-CZ 4.04Å; A271-A301 HydrophobicContact CB-CB 3.78Å
272D93.2Very high90Very high55 Ų5555.6 Ų55.629%0.29429%0.286SS..Hα-helixtrans-64-33.7176.461.5-51000112.9K256 G257 G270 S276K256-D272 WeakPolarHBondContact CA-OD1 3.42Å; K256-D272 HydrophobicContact CG-CB 4.48Å; K256-D272 VanDerWaalsContact CG-OD2 3.24Å; K256-D272 WeakPolarHBondContact CG-OD2 3.42Å; G257-D272 PolarHBondContact N-OD1 3.05Å; G257-D272 PolarHBondContact N-OD2 3.45Å; G270-D272 WeakPolarHBondContact CA-OD1 3.29Å; G270-D272 PolarHBondContact O-N 3.18Å; D272-S276 WeakPolarHBondContact O-CB 3.27Å; D272-S276 PolarHBondContact O-N 3.38Å
273V93.9Very high90.3Very high11 Ų1146.7 Ų46.77%0.06725%0.245CC..Hα-helixtrans-67.5-44.5175.8177.10000110.5L218 G257 W258 F269 G270 A271 S276 F277L218-V273 HydrophobicContact CD1-CG1 4.31Å; G257-V273 WeakPolarHBondContact O-CG2 3.5Å; W258-V273 HydrophobicContact CD2-CG1 4.33Å; W258-V273 HydrophobicContact CD2-CG2 4.47Å; W258-V273 HydrophobicContact CH2-CG1 3.74Å; W258-V273 HydrophobicContact CZ2-CG1 3.23Å; W258-V273 HydrophobicContact CZ3-CG1 4.45Å; F269-V273 HydrophobicContact CB-CB 4Å; F269-V273 HydrophobicContact CB-CG1 3.99Å; F269-V273 HydrophobicContact CB-CG2 4.07Å; F269-V273 HydrophobicContact CD2-CB 4.43Å; F269-V273 HydrophobicContact CD2-CG1 4.43Å; F269-V273 HydrophobicContact CG-CG1 4.41Å; G270-V273 WeakPolarHBondContact O-CB 3.36Å; G270-V273 PolarHBondContact O-N 3.3Å; A271-V273 VanDerWaalsContact C-N 3.29Å; A271-V273 PolarHBondContact O-N 2.92Å; V273-S276 PolarHBondContact O-N 2.95Å; V273-F277 WeakPolarHBondContact O-CB 3.46Å; V273-F277 PolarHBondContact O-N 3.48Å
274V93.3Very high90.5Very high0 Ų044.8 Ų44.80%024%0.243CC..Hα-helixtrans-62-51.5177.5173.60000110.7L218 F269 A271 S276 F277 C278 I286 F300 A301 Q304 L305L218-V274 HydrophobicContact CD1-CG2 4.31Å; F269-V274 HydrophobicContact CD2-CG2 3.8Å; F269-V274 HydrophobicContact CE2-CG2 3.51Å; A271-V274 PolarHBondContact O-N 3.5Å; V274-S276 VanDerWaalsContact C-N 3.31Å; V274-S276 PolarHBondContact O-N 3.36Å; V274-F277 PolarHBondContact O-N 3.04Å; V274-F277 VanDerWaalsContact O-N 3.14Å; V274-C278 PolarHBondContact O-N 2.94Å; V274-C278 PolarHBondContact O-SG 3.18Å; V274-C278 VanDerWaalsContact O-SG 3.37Å; V274-I286 HydrophobicContact CG1-CD1 4.06Å; V274-F300 HydrophobicContact CG2-CD1 4.05Å; V274-F300 HydrophobicContact CG2-CE1 3.98Å; V274-A301 HydrophobicContact CB-CB 3.62Å; V274-A301 HydrophobicContact CG1-CB 3.61Å; V274-A301 HydrophobicContact CG2-CB 4.18Å; V274-Q304 HydrophobicContact CG1-CB 3.92Å; V274-L305 HydrophobicContact CG1-CB 4.08Å; V274-L305 HydrophobicContact CG2-CB 4.5Å; V274-L305 HydrophobicContact CG2-CD1 4.04Å
275E91.3Very high91Very high48 Ų4841.3 Ų41.322%0.22421%0.207CC..Hα-helixtrans-60.1-41.2-179.7-69.9-178.8-177.200112.4A271 R279 N302 Q304A271-E275 WeakPolarHBondContact O-CG 3.3Å; A271-E275 PolarHBondContact O-N 3.39Å; E275-R279 WeakPolarHBondContact O-CG 3.42Å; E275-R279 PolarHBondContact O-N 3.5Å; E275-R279 IonicContact OE2-NH2 3.7Å; E275-R279 PolarHBondContact OE2-NH2 3.3Å; E275-N302 PolarHBondContact OE1-ND2 3.45Å; E275-N302 VanDerWaalsContact OE1-ND2 3.11Å; E275-Q304 VanDerWaalsContact CA-OE1 3.32Å; E275-Q304 VanDerWaalsContact CG-OE1 3.28Å
276S91.7Very high91.5Very high60 Ų6040.4 Ų40.442%0.4220%0.2SC..Hα-helixtrans-66.9-40.1176.1-177.60000112.1D272 V273 V274 R280D272-S276 WeakPolarHBondContact O-CB 3.27Å; D272-S276 PolarHBondContact O-N 3.38Å; V273-S276 PolarHBondContact O-N 2.95Å; V274-S276 VanDerWaalsContact C-N 3.31Å; V274-S276 PolarHBondContact O-N 3.36Å; S276-R280 VanDerWaalsContact O-CB 3.24Å; S276-R280 WeakPolarHBondContact O-CB 3.41Å; S276-R280 PolarHBondContact O-N 3.07Å
277F93.6Very high91.9Very high1 Ų139.8 Ų39.80%0.00419%0.193CC..Hα-helixtrans-66.3-49.2177.9-175.1-90.4000111.7F212 L218 L222 F225 V273 V274 R279 R280 M281 I283 I286F212-F277 HydrophobicContact CD1-CE1 4.03Å; F212-F277 HydrophobicContact CD1-CZ 4.33Å; F212-F277 HydrophobicContact CE1-CE1 4.38Å; F212-F277 HydrophobicContact CE1-CZ 4.24Å; L218-F277 HydrophobicContact CD1-CB 3.72Å; L218-F277 HydrophobicContact CD1-CD1 3.94Å; L218-F277 HydrophobicContact CD1-CD2 4.17Å; L218-F277 HydrophobicContact CD1-CG 3.68Å; L218-F277 HydrophobicContact CD2-CD1 3.68Å; L218-F277 HydrophobicContact CD2-CD2 4.09Å; L218-F277 HydrophobicContact CD2-CE1 3.5Å; L218-F277 VanDerWaalsContact CD2-CE1 3.5Å; L218-F277 HydrophobicContact CD2-CE2 3.95Å; L218-F277 HydrophobicContact CD2-CG 3.96Å; L218-F277 HydrophobicContact CD2-CZ 3.64Å; L218-F277 HydrophobicContact CG-CD1 4.47Å; L218-F277 HydrophobicContact CG-CG 4.44Å; L222-F277 HydrophobicContact CB-CE2 4.41Å; L222-F277 HydrophobicContact CD2-CE2 3.72Å; L222-F277 HydrophobicContact CD2-CZ 3.64Å; L222-F277 HydrophobicContact CG-CE2 3.99Å; L222-F277 HydrophobicContact CG-CZ 4.32Å; F225-F277 HydrophobicContact CE1-CZ 4.47Å; V273-F277 WeakPolarHBondContact O-CB 3.46Å; V273-F277 PolarHBondContact O-N 3.48Å; V274-F277 PolarHBondContact O-N 3.04Å; V274-F277 VanDerWaalsContact O-N 3.14Å; F277-R279 VanDerWaalsContact C-N 3.31Å; F277-R279 PolarHBondContact O-N 3.28Å; F277-R280 PolarHBondContact O-N 2.87Å; F277-R280 VanDerWaalsContact O-N 3.11Å; F277-M281 HydrophobicContact CD1-CG 4.04Å; F277-M281 HydrophobicContact CD2-CG 4Å; F277-M281 HydrophobicContact CE1-CB 4.28Å; F277-M281 HydrophobicContact CE1-CG 3.78Å; F277-M281 HydrophobicContact CE2-CE 4.3Å; F277-M281 HydrophobicContact CE2-CG 3.72Å; F277-M281 HydrophobicContact CE2-SD 4.24Å; F277-M281 HydrophobicContact CG-CG 4.15Å; F277-M281 HydrophobicContact CZ-CB 4.49Å; F277-M281 HydrophobicContact CZ-CE 3.98Å; F277-M281 HydrophobicContact CZ-CG 3.61Å; F277-M281 HydrophobicContact CZ-SD 4.35Å; F277-M281 WeakPolarHBondContact O-CB 3.01Å; F277-M281 WeakPolarHBondContact O-CG 3.49Å; F277-M281 PolarHBondContact O-N 3.41Å; F277-I283 HydrophobicContact CD1-CD1 3.93Å; F277-I283 HydrophobicContact CE1-CD1 3.67Å; F277-I286 HydrophobicContact CD1-CD1 3.98Å; F277-I286 HydrophobicContact CE1-CD1 4.44Å
278C90.9Very high92.1Very high3 Ų335.8 Ų35.82%0.0218%0.177CC..Hα-helixtrans-57.5-43.7178.9-68.10000111.8V274 D282 I283V274-C278 PolarHBondContact O-N 2.94Å; V274-C278 PolarHBondContact O-SG 3.18Å; V274-C278 VanDerWaalsContact O-SG 3.37Å; C278-D282 PolarHBondContact O-N 3Å; C278-D282 VanDerWaalsContact O-N 3.07Å; C278-I283 HydrophobicContact CB-CG1 4.2Å; C278-I283 WeakPolarHBondContact CB-O 3.5Å; C278-I283 PolarHBondContact O-N 3.18Å; C278-I283 VanDerWaalsContact O-N 3.14Å
279R89.9Confident92.1Very high178 Ų17835 Ų3567%0.67217%0.172SC*.Hα-helixtrans-64.7-40.7174.9-70.2-178.9-138.7139.74.3113.3E275 F277E275-R279 WeakPolarHBondContact O-CG 3.42Å; E275-R279 PolarHBondContact O-N 3.5Å; E275-R279 IonicContact OE2-NH2 3.7Å; E275-R279 PolarHBondContact OE2-NH2 3.3Å; F277-R279 VanDerWaalsContact C-N 3.31Å; F277-R279 PolarHBondContact O-N 3.28Å
280R92.5Very high91.9Very high126 Ų12635.7 Ų35.748%0.47518%0.176SC..Hα-helixtrans-72.6-34.2-176.8174.8168.445.4107.6-5.2112.5L222 A223 S276 F277L222-R280 PolarHBondContact O-NH1 3.23Å; A223-R280 PolarHBondContact O-NH1 3.03Å; S276-R280 VanDerWaalsContact O-CB 3.24Å; S276-R280 WeakPolarHBondContact O-CB 3.41Å; S276-R280 PolarHBondContact O-N 3.07Å; F277-R280 PolarHBondContact O-N 2.87Å; F277-R280 VanDerWaalsContact O-N 3.11Å
281M91.3Very high91.5Very high24 Ų2439.4 Ų39.412%0.11819%0.193CC..Hα-helixtrans-98-1.1-175.7-56.5-69.7-74.500113.1F225 F277 I283F225-M281 HydrophobicContact CB-CE 4.3Å; F225-M281 HydrophobicContact CD1-CE 3.36Å; F225-M281 HydrophobicContact CD2-CE 3.58Å; F225-M281 HydrophobicContact CE1-CE 3.35Å; F225-M281 HydrophobicContact CE2-CB 4.02Å; F225-M281 HydrophobicContact CE2-CE 3.58Å; F225-M281 HydrophobicContact CG-CE 3.46Å; F225-M281 VanDerWaalsContact CG-CE 3.46Å; F225-M281 HydrophobicContact CZ-CB 3.97Å; F225-M281 HydrophobicContact CZ-CE 3.46Å; F225-M281 VanDerWaalsContact CZ-CE 3.46Å; F225-M281 HydrophobicContact CZ-CG 4.48Å; F277-M281 HydrophobicContact CD1-CG 4.04Å; F277-M281 HydrophobicContact CD2-CG 4Å; F277-M281 HydrophobicContact CE1-CB 4.28Å; F277-M281 HydrophobicContact CE1-CG 3.78Å; F277-M281 HydrophobicContact CE2-CE 4.3Å; F277-M281 HydrophobicContact CE2-CG 3.72Å; F277-M281 HydrophobicContact CE2-SD 4.24Å; F277-M281 HydrophobicContact CG-CG 4.15Å; F277-M281 HydrophobicContact CZ-CB 4.49Å; F277-M281 HydrophobicContact CZ-CE 3.98Å; F277-M281 HydrophobicContact CZ-CG 3.61Å; F277-M281 HydrophobicContact CZ-SD 4.35Å; F277-M281 WeakPolarHBondContact O-CB 3.01Å; F277-M281 WeakPolarHBondContact O-CG 3.49Å; F277-M281 PolarHBondContact O-N 3.41Å; M281-I283 HydrophobicContact CB-CG1 4.31Å; M281-I283 PolarHBondContact O-N 3.38Å
282D89.4Confident91.3Very high108 Ų10840 Ų4058%0.57819%0.193SC*.THydrogen-bonded Turntrans56.543.1-178.1-161.739.8000114.2R210 C278R210-D282 IonicContact CZ-OD2 3.96Å; R210-D282 PolarHBondContact NH1-O 3.35Å; R210-D282 IonicContact NH1-OD1 2.63Å; R210-D282 PolarHBondContact NH1-OD1 2.86Å; R210-D282 IonicContact NH1-OD2 3.16Å; R210-D282 PolarHBondContact NH1-OD2 3.07Å; C278-D282 PolarHBondContact O-N 3Å; C278-D282 VanDerWaalsContact O-N 3.07Å
283I89.5Confident91Very high5 Ų537.6 Ų37.63%0.02618%0.18CC..  trans-115.5149.6177.861.6170.3000111.3L206 R210 F212 F225 F277 C278 M281 I286L206-I283 HydrophobicContact CD1-CG2 4.2Å; R210-I283 WeakPolarHBondContact O-CB 3.44Å; F212-I283 HydrophobicContact CB-CD1 3.58Å; F212-I283 HydrophobicContact CG-CD1 4.43Å; F225-I283 HydrophobicContact CE2-CG2 4.12Å; F225-I283 HydrophobicContact CZ-CG2 3.94Å; F277-I283 HydrophobicContact CD1-CD1 3.93Å; F277-I283 HydrophobicContact CE1-CD1 3.67Å; C278-I283 HydrophobicContact CB-CG1 4.2Å; C278-I283 WeakPolarHBondContact CB-O 3.5Å; C278-I283 PolarHBondContact O-N 3.18Å; C278-I283 VanDerWaalsContact O-N 3.14Å; M281-I283 HydrophobicContact CB-CG1 4.31Å; M281-I283 PolarHBondContact O-N 3.38Å; I283-I286 HydrophobicContact CD1-CD1 4.47Å; I283-I286 HydrophobicContact CD1-CG1 3.8Å
284D85.6Confident90.4Very high77 Ų7743.6 Ų43.641%0.41221%0.212SC..SBendtrans-91.9-34.6-177.4-63.7-47000112.3R210R210-D284 WeakPolarHBondContact CD-OD2 3.47Å; R210-D284 IonicContact NE-OD2 3.51Å; R210-D284 PolarHBondContact O-N 2.88Å
285L90.4Very high89.7Confident2 Ų250.1 Ų50.11%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-145143.1-171.9-178.166000111.7F18 R210 I211 F212 H303 Q304 V306 M325F18-L285 HydrophobicContact CD1-CD2 4.11Å; F18-L285 HydrophobicContact CD2-CD2 4.2Å; F18-L285 HydrophobicContact CE1-CD2 4.2Å; F18-L285 HydrophobicContact CE2-CD2 4.28Å; F18-L285 HydrophobicContact CG-CD2 4.11Å; F18-L285 HydrophobicContact CZ-CD2 4.28Å; R210-L285 PolarHBondContact O-N 3.17Å; I211-L285 CarbonylContact C-O 3.58Å; I211-L285 VanDerWaalsContact CA-O 3.31Å; I211-L285 WeakPolarHBondContact CA-O 3.01Å; I211-L285 HydrophobicContact CG1-CB 4.35Å; I211-L285 HydrophobicContact CG2-CB 4.24Å; I211-L285 HydrophobicContact CG2-CD2 4.23Å; I211-L285 HydrophobicContact CG2-CG 4.27Å; F212-L285 PolarHBondContact N-O 2.8Å; L285-H303 VanDerWaalsContact CD1-O 3.27Å; L285-H303 WeakPolarHBondContact CD1-O 3.31Å; L285-Q304 CarbonylContact C-O 3.55Å; L285-Q304 WeakPolarHBondContact CA-O 3.2Å; L285-V306 HydrophobicContact CD1-CB 4.35Å; L285-V306 HydrophobicContact CD1-CG1 4.05Å; L285-V306 HydrophobicContact CD2-CG1 4.13Å; L285-V306 HydrophobicContact CG-CG1 4.27Å; L285-M325 HydrophobicContact CD2-CE 3.58Å; L285-M325 HydrophobicContact CD2-SD 4.02Å
286I94.1Very high89.3Confident0 Ų047.8 Ų47.80%023%0.229CC..EExtended strand (participates in β ladder)trans-107.8121.2167.2-60.3165.9000108.1F212 M214 L218 V274 F277 I283 Q304 L305 V306F212-I286 CarbonylContact O-C 3.56Å; F212-I286 VanDerWaalsContact O-CA 3.29Å; F212-I286 WeakPolarHBondContact O-CA 3.3Å; M214-I286 HydrophobicContact SD-CG2 4.04Å; L218-I286 HydrophobicContact CD1-CD1 3.83Å; L218-I286 HydrophobicContact CD2-CD1 3.9Å; L218-I286 HydrophobicContact CG-CD1 4.12Å; V274-I286 HydrophobicContact CG1-CD1 4.06Å; F277-I286 HydrophobicContact CD1-CD1 3.98Å; F277-I286 HydrophobicContact CE1-CD1 4.44Å; I283-I286 HydrophobicContact CD1-CD1 4.47Å; I283-I286 HydrophobicContact CD1-CG1 3.8Å; I286-Q304 PolarHBondContact N-O 2.64Å; I286-L305 HydrophobicContact CB-CB 4.26Å; I286-L305 HydrophobicContact CB-CD1 4.31Å; I286-L305 HydrophobicContact CB-CG 4.19Å; I286-L305 HydrophobicContact CG2-CD1 4.08Å; I286-L305 HydrophobicContact CG2-CG 4.26Å; I286-L305 CarbonylContact O-C 3.54Å; I286-L305 VanDerWaalsContact O-CA 3.31Å; I286-L305 WeakPolarHBondContact O-CA 2.97Å; I286-V306 PolarHBondContact O-N 3.02Å
287A93.9Very high89Confident0 Ų046.8 Ų46.80%022%0.217CC..EExtended strand (participates in β ladder)trans-103.6126.2172.500000109.9I103 I211 F212 C213 M214 V306 I308I103-A287 HydrophobicContact CD1-CB 4.43Å; I211-A287 HydrophobicContact CG2-CB 4.13Å; F212-A287 PolarHBondContact O-N 2.82Å; C213-A287 VanDerWaalsContact CA-O 3.29Å; C213-A287 WeakPolarHBondContact CA-O 3.25Å; M214-A287 PolarHBondContact N-O 3.07Å; M214-A287 VanDerWaalsContact N-O 3.09Å; A287-V306 WeakPolarHBondContact CA-O 3.47Å; A287-V306 HydrophobicContact CB-CG1 4.04Å; A287-I308 HydrophobicContact CB-CD1 4.45Å
288R95.6Very high88.8Confident0 Ų050.2 Ų50.20%023%0.233CC..EExtended strand (participates in β ladder)trans-135.7168.9178.560.3172.9-74.7161.5-1.8112.2M214 G216 A249 D250 P251 H290 L305 V306 T307 I308M214-R288 HydrophobicContact CG-CB 4.36Å; M214-R288 VanDerWaalsContact O-CA 3.25Å; M214-R288 WeakPolarHBondContact O-CA 3.23Å; G216-R288 VanDerWaalsContact C-CZ 3.42Å; G216-R288 WeakPolarHBondContact O-CB 3.29Å; G216-R288 WeakPolarHBondContact O-CD 3.48Å; G216-R288 PolarHBondContact O-NE 2.99Å; G216-R288 PolarHBondContact O-NH1 3.1Å; G216-R288 PolarHBondContact O-NH2 2.73Å; A249-R288 VanDerWaalsContact O-CZ 3.23Å; A249-R288 PolarHBondContact O-NH1 3.34Å; A249-R288 PolarHBondContact O-NH2 3.16Å; D250-R288 IonicContact OD1-CZ 2.82Å; D250-R288 IonicContact OD1-NH2 3.86Å; D250-R288 PolarHBondContact OD1-NH2 2.64Å; P251-R288 VanDerWaalsContact CD-NH1 3.28Å; R288-H290 PolarHBondContact NE-O 2.89Å; R288-H290 VanDerWaalsContact NH2-C 3.32Å; R288-H290 PolarHBondContact NH2-O 3.37Å; R288-L305 HydrophobicContact CG-CD2 4.07Å; R288-L305 HydrophobicContact CG-CG 4.38Å; R288-V306 WeakPolarHBondContact CG-O 3.08Å; R288-V306 PolarHBondContact N-O 3.36Å; R288-T307 CarbonylContact O-C 3.51Å; R288-T307 VanDerWaalsContact O-CA 3.28Å; R288-T307 WeakPolarHBondContact O-CA 3.29Å; R288-I308 PolarHBondContact O-N 3.32Å
289A94.3Very high88.8Confident0 Ų051.7 Ų51.70%024%0.239CC..  trans-118.2-47.5-173.500000114.1D106 L132 H215 Q291 T307 I308D106-A289 VanDerWaalsContact OD1-C 3.29Å; D106-A289 WeakPolarHBondContact OD1-CB 3.42Å; L132-A289 HydrophobicContact CB-CB 3.63Å; L132-A289 HydrophobicContact CD1-CB 3.94Å; L132-A289 HydrophobicContact CG-CB 4.42Å; H215-A289 PolarHBondContact O-N 3.3Å; A289-Q291 PolarHBondContact O-N 3.1Å; A289-T307 WeakPolarHBondContact O-CG2 3.35Å; A289-I308 WeakPolarHBondContact CA-O 3.31Å
290H88.6Confident88.8Confident16 Ų1644.2 Ų44.27%0.07421%0.211CC..  trans-61.1137.4169.5-160.872.2000108.7H215 D250 R263 R288 T307H215-H290 WeakPolarHBondContact O-CB 3.47Å; H215-H290 PolarHBondContact O-N 3.32Å; D250-H290 IonicContact OD1-CD2 3.78Å; D250-H290 PolarHBondContact OD1-CD2 3.08Å; D250-H290 IonicContact OD1-NE2 3.48Å; D250-H290 IonicContact OD2-CD2 2.7Å; D250-H290 IonicContact OD2-NE2 3.44Å; R263-H290 PolarHBondContact NE-NE2 3.07Å; R263-H290 PolarHBondContact NH2-NE2 3.01Å; R288-H290 PolarHBondContact NE-O 2.89Å; R288-H290 VanDerWaalsContact NH2-C 3.32Å; R288-H290 PolarHBondContact NH2-O 3.37Å; H290-T307 WeakPolarHBondContact O-CG2 3.47Å
291Q86.8Confident88.6Confident77 Ų7738.7 Ų38.736%0.3619%0.192SC..SBendcis-110174.7-0.860.7-173-13.700110.7A289 V293 T307A289-Q291 PolarHBondContact O-N 3.1Å; Q291-V293 PolarHBondContact O-N 3.05Å; Q291-T307 WeakPolarHBondContact O-CG2 3.23Å
292V87.2Confident88.2Confident48 Ų4842.6 Ų42.629%0.29121%0.214SC..  trans-49.8130.1176.866.20000112.7F309 Y314 N320V292-F309 HydrophobicContact CB-CD2 4.22Å; V292-F309 HydrophobicContact CB-CE1 4.35Å; V292-F309 HydrophobicContact CB-CE2 3.86Å; V292-F309 HydrophobicContact CB-CZ 3.94Å; V292-F309 HydrophobicContact CG2-CD1 4.18Å; V292-F309 HydrophobicContact CG2-CE1 3.94Å; V292-F309 HydrophobicContact CG2-CE2 4.34Å; V292-F309 HydrophobicContact CG2-CG 4.5Å; V292-F309 HydrophobicContact CG2-CZ 4.01Å; V292-Y314 HydrophobicContact CB-CD1 4.29Å; V292-Y314 HydrophobicContact CG2-CD1 4.16Å; V292-N320 HydrophobicContact CG2-CB 4.23Å
293V86.4Confident87.9Confident6 Ų640.3 Ų40.34%0.03620%0.2CC..  trans-129.3132.7-178.7-74.80000110.7Q291 K295 G296 E298 T307 F309Q291-V293 PolarHBondContact O-N 3.05Å; V293-K295 VanDerWaalsContact C-N 3.26Å; V293-K295 PolarHBondContact O-N 2.78Å; V293-K295 VanDerWaalsContact O-N 3.09Å; V293-G296 PolarHBondContact O-N 2.57Å; V293-E298 HydrophobicContact CB-CB 4.15Å; V293-E298 HydrophobicContact CG1-CB 3.58Å; V293-T307 HydrophobicContact CG1-CG2 4.03Å; V293-T307 HydrophobicContact CG2-CG2 4.4Å; V293-F309 HydrophobicContact CG2-CB 3.7Å
294D82Confident87.9Confident136 Ų13641.8 Ų41.873%0.72721%0.207SC*.THydrogen-bonded Turntrans-54.9-37-169.4-67.5-22000114.4N320 S321D294-N320 CarbonylContact O-C 3.11Å; D294-N320 VanDerWaalsContact O-CA 3.28Å; D294-N320 WeakPolarHBondContact O-CA 3.48Å; D294-S321 PolarHBondContact O-N 2.91Å
295K78.3Confident88.2Confident137 Ų13738.1 Ų38.160%0.59619%0.187SC*.THydrogen-bonded Turntrans-92.62.3-177.5-65.4-178.7-178.3174.10113.6V293 Y297V293-K295 VanDerWaalsContact C-N 3.26Å; V293-K295 PolarHBondContact O-N 2.78Å; V293-K295 VanDerWaalsContact O-N 3.09Å; K295-Y297 HydrophobicContact CB-CD1 4.21Å; K295-Y297 HydrophobicContact CB-CE1 4.03Å; K295-Y297 PolarHBondContact O-N 3.07Å
296G82.5Confident88.2Confident0 Ų038 Ų380%019%0.187CC..SBendtrans77.1-4.7-170.300000114.1V293 F309 S321 G323V293-G296 PolarHBondContact O-N 2.57Å; G296-F309 WeakPolarHBondContact CA-O 3.49Å; G296-F309 PolarHBondContact O-N 3.19Å; G296-S321 WeakPolarHBondContact CA-O 3.49Å; G296-S321 PolarHBondContact N-O 3.03Å; G296-G323 WeakPolarHBondContact O-CA 3.46Å; G296-G323 PolarHBondContact O-N 3.4Å
297Y87.2Confident88.2Confident38 Ų3838.4 Ų38.415%0.14919%0.189CC..EExtended strand (participates in β ladder)trans-152.1153.9168.374.7-68.6000111V20 I22 K295 F299 T307V20-Y297 HydrophobicContact CG1-CD1 4.09Å; V20-Y297 HydrophobicContact CG1-CD2 3.82Å; V20-Y297 HydrophobicContact CG1-CE2 4.37Å; V20-Y297 HydrophobicContact CG1-CG 3.65Å; I22-Y297 HydrophobicContact CD1-CD1 4.15Å; I22-Y297 HydrophobicContact CD1-CE1 3.28Å; I22-Y297 HydrophobicContact CG1-CD1 3.77Å; I22-Y297 HydrophobicContact CG1-CE1 3.4Å; I22-Y297 VanDerWaalsContact CG1-CE1 3.4Å; K295-Y297 HydrophobicContact CB-CD1 4.21Å; K295-Y297 HydrophobicContact CB-CE1 4.03Å; K295-Y297 PolarHBondContact O-N 3.07Å; Y297-F299 HydrophobicContact CD2-CD2 4.16Å; Y297-F299 AromaticContact CD2-CE2 3.98Å; Y297-F299 HydrophobicContact CD2-CE2 3.98Å; Y297-F299 AromaticContact CE2-CD2 4Å; Y297-F299 HydrophobicContact CE2-CD2 4Å; Y297-F299 AromaticContact CE2-CE2 3.78Å; Y297-F299 HydrophobicContact CE2-CE2 3.78Å; Y297-T307 CarbonylContact C-O 3.56Å; Y297-T307 WeakPolarHBondContact CA-O 3.18Å; Y297-T307 WeakPolarHBondContact CB-O 3.24Å
298E89.2Confident88.1Confident74 Ų7438.4 Ų38.435%0.34619%0.189SC..EExtended strand (participates in β ladder)trans-145.6134.3172.1-171.7177-177.600111R253 V293 V306 T307R253-E298 IonicContact CZ-OE1 3.8Å; R253-E298 IonicContact NE-OE1 2.89Å; R253-E298 PolarHBondContact NE-OE1 3.4Å; R253-E298 IonicContact NH2-OE1 3.75Å; R253-E298 PolarHBondContact NH2-OE1 3.36Å; V293-E298 HydrophobicContact CB-CB 4.15Å; V293-E298 HydrophobicContact CG1-CB 3.58Å; E298-V306 CarbonylContact O-C 3.57Å; E298-V306 WeakPolarHBondContact O-CA 3.43Å; E298-T307 PolarHBondContact N-O 2.92Å; E298-T307 PolarHBondContact O-N 3.48Å
299F89.5Confident87.9Confident34 Ų3438.4 Ų38.415%0.14919%0.189CC..EExtended strand (participates in β ladder)trans-92.7143.5172.8-74.3-74.4000111.9F18 V20 Y297 H303 L305 V306F18-F299 HydrophobicContact CE2-CE1 4.24Å; F18-F299 HydrophobicContact CE2-CZ 4.28Å; V20-F299 HydrophobicContact CG2-CZ 3.97Å; Y297-F299 HydrophobicContact CD2-CD2 4.16Å; Y297-F299 AromaticContact CD2-CE2 3.98Å; Y297-F299 HydrophobicContact CD2-CE2 3.98Å; Y297-F299 AromaticContact CE2-CD2 4Å; Y297-F299 HydrophobicContact CE2-CD2 4Å; Y297-F299 AromaticContact CE2-CE2 3.78Å; Y297-F299 HydrophobicContact CE2-CE2 3.78Å; F299-H303 HydrophobicContact CD1-CB 4.03Å; F299-H303 AromaticContact CD1-ND1 3.41Å; F299-H303 WeakPolarHBondContact CD1-ND1 3.09Å; F299-H303 AromaticContact CD2-CE1 3.64Å; F299-H303 AromaticContact CD2-ND1 3.31Å; F299-H303 VanDerWaalsContact CD2-ND1 3.31Å; F299-H303 WeakPolarHBondContact CD2-ND1 3.28Å; F299-H303 HydrophobicContact CE1-CB 4.45Å; F299-H303 AromaticContact CE1-ND1 3.84Å; F299-H303 AromaticContact CE2-ND1 3.75Å; F299-H303 HydrophobicContact CG-CB 4.47Å; F299-H303 AromaticContact CG-CE1 3.77Å; F299-H303 AromaticContact CG-ND1 3.12Å; F299-H303 WeakPolarHBondContact CG-ND1 3.44Å; F299-H303 AromaticContact CZ-ND1 4Å; F299-L305 CarbonylContact C-O 3.51Å; F299-L305 WeakPolarHBondContact CA-O 3.44Å; F299-V306 HydrophobicContact CD1-CB 3.85Å; F299-V306 HydrophobicContact CD1-CG2 4.01Å; F299-V306 HydrophobicContact CE1-CB 3.79Å; F299-V306 HydrophobicContact CE1-CG2 3.85Å; F299-V306 HydrophobicContact CZ-CG2 4.26Å
300F89.9Confident87.7Confident20 Ų2038.7 Ų38.79%0.08819%0.191CC..EExtended strand (participates in β ladder)trans-132.9161.5177.3-175.2-102.6000110.8P251 R253 A271 V274 N302 H303 Q304 L305P251-F300 HydrophobicContact CB-CD1 3.72Å; P251-F300 HydrophobicContact CB-CD2 4.23Å; P251-F300 HydrophobicContact CB-CE1 3.73Å; P251-F300 HydrophobicContact CB-CE2 4.24Å; P251-F300 HydrophobicContact CB-CG 3.97Å; P251-F300 HydrophobicContact CB-CZ 4Å; R253-F300 HydrophobicContact CB-CE2 4.38Å; R253-F300 HydrophobicContact CG-CD2 4.07Å; R253-F300 HydrophobicContact CG-CE2 3.78Å; A271-F300 HydrophobicContact CB-CE1 4.08Å; A271-F300 HydrophobicContact CB-CZ 4.04Å; V274-F300 HydrophobicContact CG2-CD1 4.05Å; V274-F300 HydrophobicContact CG2-CE1 3.98Å; F300-N302 PolarHBondContact O-N 3.03Å; F300-H303 PolarHBondContact O-N 3.21Å; F300-H303 VanDerWaalsContact O-N 3.15Å; F300-Q304 PolarHBondContact O-N 3.42Å; F300-L305 HydrophobicContact CB-CB 4.24Å; F300-L305 HydrophobicContact CB-CD2 3.75Å; F300-L305 HydrophobicContact CD1-CB 4.47Å; F300-L305 PolarHBondContact N-O 3.21Å; F300-L305 PolarHBondContact O-N 2.92Å
301A88.3Confident87.6Confident10 Ų1038 Ų388%0.08319%0.188CC..THydrogen-bonded Turntrans46.462.3176.100000114.4A271 V274 H303 Q304A271-A301 HydrophobicContact CB-CB 3.78Å; V274-A301 HydrophobicContact CB-CB 3.62Å; V274-A301 HydrophobicContact CG1-CB 3.61Å; V274-A301 HydrophobicContact CG2-CB 4.18Å; A301-H303 VanDerWaalsContact C-N 3.33Å; A301-H303 PolarHBondContact O-N 3.18Å; A301-Q304 WeakPolarHBondContact O-CB 3.46Å; A301-Q304 PolarHBondContact O-N 2.77Å; A301-Q304 VanDerWaalsContact O-N 3.12Å
302N83.5Confident87.4Confident107 Ų10734.5 Ų34.557%0.57217%0.171SC*.THydrogen-bonded Turntrans50.451.9-177.3-62.7-37.2000111.6Y7 E275 F300 Q304Y7-N302 VanDerWaalsContact CZ-O 3.23Å; Y7-N302 PolarHBondContact OH-O 3.33Å; E275-N302 PolarHBondContact OE1-ND2 3.45Å; E275-N302 VanDerWaalsContact OE1-ND2 3.11Å; F300-N302 PolarHBondContact O-N 3.03Å; N302-Q304 PolarHBondContact O-N 3.01Å
303H83.3Confident87Confident60 Ų6034.9 Ų34.928%0.27817%0.172SC..THydrogen-bonded Turntrans60.910.3178-62.3-91000116.4Y7 L285 F299 F300 A301 L305Y7-H303 HydrophobicContact CE2-CB 3.9Å; L285-H303 VanDerWaalsContact CD1-O 3.27Å; L285-H303 WeakPolarHBondContact CD1-O 3.31Å; F299-H303 HydrophobicContact CD1-CB 4.03Å; F299-H303 AromaticContact CD1-ND1 3.41Å; F299-H303 WeakPolarHBondContact CD1-ND1 3.09Å; F299-H303 AromaticContact CD2-CE1 3.64Å; F299-H303 AromaticContact CD2-ND1 3.31Å; F299-H303 VanDerWaalsContact CD2-ND1 3.31Å; F299-H303 WeakPolarHBondContact CD2-ND1 3.28Å; F299-H303 HydrophobicContact CE1-CB 4.45Å; F299-H303 AromaticContact CE1-ND1 3.84Å; F299-H303 AromaticContact CE2-ND1 3.75Å; F299-H303 HydrophobicContact CG-CB 4.47Å; F299-H303 AromaticContact CG-CE1 3.77Å; F299-H303 AromaticContact CG-ND1 3.12Å; F299-H303 WeakPolarHBondContact CG-ND1 3.44Å; F299-H303 AromaticContact CZ-ND1 4Å; F300-H303 PolarHBondContact O-N 3.21Å; F300-H303 VanDerWaalsContact O-N 3.15Å; A301-H303 VanDerWaalsContact C-N 3.33Å; A301-H303 PolarHBondContact O-N 3.18Å; H303-L305 VanDerWaalsContact C-N 3.31Å
304Q88.5Confident86.5Confident36 Ų3635.4 Ų35.417%0.16817%0.173CC..THydrogen-bonded Turntrans-82.3-9.9175.3-63.7-169.7-55.400113.3V274 E275 L285 I286 F300 A301 N302V274-Q304 HydrophobicContact CG1-CB 3.92Å; E275-Q304 VanDerWaalsContact CA-OE1 3.32Å; E275-Q304 VanDerWaalsContact CG-OE1 3.28Å; L285-Q304 CarbonylContact C-O 3.55Å; L285-Q304 WeakPolarHBondContact CA-O 3.2Å; I286-Q304 PolarHBondContact N-O 2.64Å; F300-Q304 PolarHBondContact O-N 3.42Å; A301-Q304 WeakPolarHBondContact O-CB 3.46Å; A301-Q304 PolarHBondContact O-N 2.77Å; A301-Q304 VanDerWaalsContact O-N 3.12Å; N302-Q304 PolarHBondContact O-N 3.01Å
305L92Very high86Confident0 Ų030.2 Ų30.20%015%0.147CC..EExtended strand (participates in β ladder)trans-130.7137.2169.8-179.7153.3000109.6P251 F269 V274 I286 R288 F299 F300 H303P251-L305 HydrophobicContact CG-CD2 4.14Å; F269-L305 HydrophobicContact CE2-CD1 3.96Å; F269-L305 HydrophobicContact CZ-CD1 4.09Å; V274-L305 HydrophobicContact CG1-CB 4.08Å; V274-L305 HydrophobicContact CG2-CB 4.5Å; V274-L305 HydrophobicContact CG2-CD1 4.04Å; I286-L305 HydrophobicContact CB-CB 4.26Å; I286-L305 HydrophobicContact CB-CD1 4.31Å; I286-L305 HydrophobicContact CB-CG 4.19Å; I286-L305 HydrophobicContact CG2-CD1 4.08Å; I286-L305 HydrophobicContact CG2-CG 4.26Å; I286-L305 CarbonylContact O-C 3.54Å; I286-L305 VanDerWaalsContact O-CA 3.31Å; I286-L305 WeakPolarHBondContact O-CA 2.97Å; R288-L305 HydrophobicContact CG-CD2 4.07Å; R288-L305 HydrophobicContact CG-CG 4.38Å; F299-L305 CarbonylContact C-O 3.51Å; F299-L305 WeakPolarHBondContact CA-O 3.44Å; F300-L305 HydrophobicContact CB-CB 4.24Å; F300-L305 HydrophobicContact CB-CD2 3.75Å; F300-L305 HydrophobicContact CD1-CB 4.47Å; F300-L305 PolarHBondContact N-O 3.21Å; F300-L305 PolarHBondContact O-N 2.92Å; H303-L305 VanDerWaalsContact C-N 3.31Å
306V91.9Very high85.3Confident0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-126.2128.5172.865.50000110.1L285 I286 A287 R288 E298 F299 I308 M325L285-V306 HydrophobicContact CD1-CB 4.35Å; L285-V306 HydrophobicContact CD1-CG1 4.05Å; L285-V306 HydrophobicContact CD2-CG1 4.13Å; L285-V306 HydrophobicContact CG-CG1 4.27Å; I286-V306 PolarHBondContact O-N 3.02Å; A287-V306 WeakPolarHBondContact CA-O 3.47Å; A287-V306 HydrophobicContact CB-CG1 4.04Å; R288-V306 WeakPolarHBondContact CG-O 3.08Å; R288-V306 PolarHBondContact N-O 3.36Å; E298-V306 CarbonylContact O-C 3.57Å; E298-V306 WeakPolarHBondContact O-CA 3.43Å; F299-V306 HydrophobicContact CD1-CB 3.85Å; F299-V306 HydrophobicContact CD1-CG2 4.01Å; F299-V306 HydrophobicContact CE1-CB 3.79Å; F299-V306 HydrophobicContact CE1-CG2 3.85Å; F299-V306 HydrophobicContact CZ-CG2 4.26Å; V306-I308 HydrophobicContact CG1-CD1 4.43Å; V306-I308 HydrophobicContact CG1-CG1 4.45Å; V306-I308 HydrophobicContact CG2-CG1 4.2Å; V306-M325 HydrophobicContact CG1-SD 3.82Å
307T93.9Very high84.4Confident7 Ų735.7 Ų35.74%0.04318%0.178CC..EExtended strand (participates in β ladder)trans-93.9131.2166.7-58.30000108.3R288 A289 H290 Q291 V293 Y297 E298R288-T307 CarbonylContact O-C 3.51Å; R288-T307 VanDerWaalsContact O-CA 3.28Å; R288-T307 WeakPolarHBondContact O-CA 3.29Å; A289-T307 WeakPolarHBondContact O-CG2 3.35Å; H290-T307 WeakPolarHBondContact O-CG2 3.47Å; Q291-T307 WeakPolarHBondContact O-CG2 3.23Å; V293-T307 HydrophobicContact CG1-CG2 4.03Å; V293-T307 HydrophobicContact CG2-CG2 4.4Å; Y297-T307 CarbonylContact C-O 3.56Å; Y297-T307 WeakPolarHBondContact CA-O 3.18Å; Y297-T307 WeakPolarHBondContact CB-O 3.24Å; E298-T307 PolarHBondContact N-O 2.92Å; E298-T307 PolarHBondContact O-N 3.48Å
308I91.4Very high83.4Confident0 Ų038 Ų380%019%0.189CC..EExtended strand (participates in β ladder)trans-122.2127.5-179.8-57162.1000107.8I103 G105 A287 R288 A289 V306 G323 M325I103-I308 HydrophobicContact CB-CD1 4.31Å; I103-I308 HydrophobicContact CG2-CD1 4.04Å; G105-I308 WeakPolarHBondContact CA-O 3.24Å; A287-I308 HydrophobicContact CB-CD1 4.45Å; R288-I308 PolarHBondContact O-N 3.32Å; A289-I308 WeakPolarHBondContact CA-O 3.31Å; V306-I308 HydrophobicContact CG1-CD1 4.43Å; V306-I308 HydrophobicContact CG1-CG1 4.45Å; V306-I308 HydrophobicContact CG2-CG1 4.2Å; I308-G323 WeakPolarHBondContact CG2-O 3.28Å; I308-M325 HydrophobicContact CD1-CB 3.37Å; I308-M325 HydrophobicContact CD1-CG 4.3Å; I308-M325 HydrophobicContact CD1-SD 3.99Å; I308-M325 HydrophobicContact CG1-CB 4.26Å
309F91.5Very high82.8Confident1 Ų139.3 Ų39.30%0.00421%0.206CC..BIsolated β-bridgetrans-126.9116.9179.5-161.7-88.5000109D106 V292 V293 G296 A311 Y314 N320 A322 G323D106-F309 HydrophobicContact CB-CD2 3.9Å; D106-F309 HydrophobicContact CB-CE2 3.59Å; D106-F309 HydrophobicContact CB-CZ 4.03Å; D106-F309 WeakPolarHBondContact OD2-CE2 3.35Å; V292-F309 HydrophobicContact CB-CD2 4.22Å; V292-F309 HydrophobicContact CB-CE1 4.35Å; V292-F309 HydrophobicContact CB-CE2 3.86Å; V292-F309 HydrophobicContact CB-CZ 3.94Å; V292-F309 HydrophobicContact CG2-CD1 4.18Å; V292-F309 HydrophobicContact CG2-CE1 3.94Å; V292-F309 HydrophobicContact CG2-CE2 4.34Å; V292-F309 HydrophobicContact CG2-CG 4.5Å; V292-F309 HydrophobicContact CG2-CZ 4.01Å; V293-F309 HydrophobicContact CG2-CB 3.7Å; G296-F309 WeakPolarHBondContact CA-O 3.49Å; G296-F309 PolarHBondContact O-N 3.19Å; F309-A311 HydrophobicContact CD1-CB 4.11Å; F309-A311 WeakPolarHBondContact CD1-O 3.41Å; F309-A311 HydrophobicContact CE1-CB 3.49Å; F309-A311 VanDerWaalsContact CE1-CB 3.49Å; F309-A311 VanDerWaalsContact CE1-O 3.25Å; F309-A311 WeakPolarHBondContact CE1-O 3.49Å; F309-A311 HydrophobicContact CZ-CB 4.17Å; F309-Y314 HydrophobicContact CE1-CD2 4.16Å; F309-Y314 AromaticContact CE1-CG 3.93Å; F309-Y314 HydrophobicContact CE1-CG 3.93Å; F309-Y314 HydrophobicContact CZ-CD1 4.02Å; F309-Y314 AromaticContact CZ-CD2 3.83Å; F309-Y314 HydrophobicContact CZ-CD2 3.83Å; F309-Y314 HydrophobicContact CZ-CE1 4.34Å; F309-Y314 HydrophobicContact CZ-CE2 4.19Å; F309-Y314 AromaticContact CZ-CG 3.73Å; F309-Y314 HydrophobicContact CZ-CG 3.73Å; F309-N320 WeakPolarHBondContact CD1-ND2 3.38Å; F309-A322 CarbonylContact O-C 3.52Å; F309-A322 WeakPolarHBondContact O-CA 3.11Å; F309-G323 PolarHBondContact O-N 3.43Å
310S89.9Confident82.4Confident6 Ų637.9 Ų37.94%0.04220%0.2CC..  trans-102.41-168.6-61.40000113.9G105 D106 P312 A322 G323G105-S310 PolarHBondContact N-OG 3.12Å; D106-S310 CarbonylContact O-C 3.53Å; D106-S310 VanDerWaalsContact O-C 3.29Å; D106-S310 WeakPolarHBondContact O-CA 3.44Å; D106-S310 PolarHBondContact O-N 2.63Å; S310-P312 VanDerWaalsContact O-CD 3.31Å; S310-P312 WeakPolarHBondContact O-CD 3.46Å; S310-A322 WeakPolarHBondContact O-CB 3.2Å; S310-G323 PolarHBondContact OG-O 2.9Å
311A87.2Confident81.8Confident1 Ų138.6 Ų38.61%0.00821%0.208CC..  trans-95.1100.1175.900000111.2D106 F309 Y314 N320D106-A311 WeakPolarHBondContact O-CB 3.26Å; D106-A311 PolarHBondContact O-N 2.81Å; F309-A311 HydrophobicContact CD1-CB 4.11Å; F309-A311 WeakPolarHBondContact CD1-O 3.41Å; F309-A311 HydrophobicContact CE1-CB 3.49Å; F309-A311 VanDerWaalsContact CE1-CB 3.49Å; F309-A311 VanDerWaalsContact CE1-O 3.25Å; F309-A311 WeakPolarHBondContact CE1-O 3.49Å; F309-A311 HydrophobicContact CZ-CB 4.17Å; A311-Y314 HydrophobicContact CB-CD2 4.47Å; A311-N320 PolarHBondContact O-ND2 2.87Å
312P82.2Confident81.5Confident3 Ų338.3 Ų38.32%0.01921%0.205CC..THydrogen-bonded Turntrans-76146.9178.633.8-34.1000110.6L25 Q110 D113 S310 Y314 A322L25-P312 HydrophobicContact CD1-CB 4.5Å; L25-P312 HydrophobicContact CD1-CG 3.88Å; Q110-P312 PolarHBondContact NE2-O 2.97Å; D113-P312 HydrophobicContact CB-CG 3.87Å; S310-P312 VanDerWaalsContact O-CD 3.31Å; S310-P312 WeakPolarHBondContact O-CD 3.46Å; P312-Y314 VanDerWaalsContact C-N 3.28Å; P312-Y314 PolarHBondContact O-N 3.47Å; P312-A322 HydrophobicContact CB-CB 3.91Å; P312-A322 HydrophobicContact CG-CB 4.16Å
313N78.2Confident81.3Confident56 Ų5633.3 Ų33.330%0.29918%0.179SC..THydrogen-bonded Turntrans47.251.8-173.5-48.4-71.4000112.8C315 N316 F318 N320N313-C315 PolarHBondContact O-N 2.91Å; N313-N316 VanDerWaalsContact O-CA 3.28Å; N313-N316 WeakPolarHBondContact O-CA 3.48Å; N313-N316 PolarHBondContact O-N 3.18Å; N313-F318 CarbonylContact C-O 3.55Å; N313-F318 WeakPolarHBondContact CA-O 3.46Å; N313-N320 PolarHBondContact N-O 3.04Å; N313-N320 PolarHBondContact N-OD1 3.2Å
314Y76.2Confident81.4Confident17 Ų1730.6 Ų30.67%0.06717%0.167CC..G310 helixtrans-46.9138.5-176.4179-131.1000111.6H108 R138 V292 F309 A311 P312 N316 E317 F318 N320H108-Y314 HydrophobicContact CB-CD2 4.37Å; H108-Y314 HydrophobicContact CB-CE2 3.86Å; H108-Y314 AromaticContact CD2-CD2 3.83Å; H108-Y314 AromaticContact CD2-CE2 3.06Å; H108-Y314 WeakPolarHBondContact CD2-CE2 3.29Å; H108-Y314 AromaticContact CD2-CZ 3.65Å; H108-Y314 AromaticContact CG-CE2 3.54Å; H108-Y314 AromaticContact NE2-CE2 3.53Å; H108-Y314 AromaticContact NE2-CZ 3.59Å; H108-Y314 PolarHBondContact NE2-OH 3.46Å; H108-Y314 VanDerWaalsContact NE2-OH 3.11Å; R138-Y314 HydrophobicContact CB-CE2 3.94Å; R138-Y314 HydrophobicContact CG-CE2 4.02Å; V292-Y314 HydrophobicContact CB-CD1 4.29Å; V292-Y314 HydrophobicContact CG2-CD1 4.16Å; F309-Y314 HydrophobicContact CE1-CD2 4.16Å; F309-Y314 AromaticContact CE1-CG 3.93Å; F309-Y314 HydrophobicContact CE1-CG 3.93Å; F309-Y314 HydrophobicContact CZ-CD1 4.02Å; F309-Y314 AromaticContact CZ-CD2 3.83Å; F309-Y314 HydrophobicContact CZ-CD2 3.83Å; F309-Y314 HydrophobicContact CZ-CE1 4.34Å; F309-Y314 HydrophobicContact CZ-CE2 4.19Å; F309-Y314 AromaticContact CZ-CG 3.73Å; F309-Y314 HydrophobicContact CZ-CG 3.73Å; A311-Y314 HydrophobicContact CB-CD2 4.47Å; P312-Y314 VanDerWaalsContact C-N 3.28Å; P312-Y314 PolarHBondContact O-N 3.47Å; Y314-N316 PolarHBondContact O-N 2.98Å; Y314-E317 PolarHBondContact O-N 3.21Å; Y314-F318 AromaticContact CD1-CD2 3.5Å; Y314-F318 HydrophobicContact CD1-CD2 3.5Å; Y314-F318 VanDerWaalsContact CD1-CD2 3.5Å; Y314-F318 AromaticContact CD1-CE2 3.73Å; Y314-F318 HydrophobicContact CD1-CE2 3.73Å; Y314-F318 HydrophobicContact CD1-CG 4.22Å; Y314-F318 HydrophobicContact CE1-CD2 4.38Å; Y314-F318 HydrophobicContact CE1-CE2 4.18Å; Y314-F318 HydrophobicContact CG-CD2 4.12Å; Y314-F318 VanDerWaalsContact O-CD2 3.26Å; Y314-F318 WeakPolarHBondContact O-CD2 3.24Å; Y314-F318 PolarHBondContact O-N 3.39Å; Y314-N320 WeakPolarHBondContact CB-OD1 3.48Å; Y314-N320 PolarHBondContact N-OD1 3.3Å
315C70.5Confident81.3Confident27 Ų2728.9 Ų28.918%0.18216%0.159CC..G310 helixtrans5314.1-175.3-58.20000115.2N313 E317 F318N313-C315 PolarHBondContact O-N 2.91Å; C315-E317 HydrophobicContact CB-CB 4.41Å; C315-E317 PolarHBondContact O-N 3.47Å; C315-F318 HydrophobicContact CB-CD2 4.35Å; C315-F318 HydrophobicContact CB-CE2 4.45Å
316N64Low80.8Confident91 Ų9130 Ų3049%0.48716%0.164SC..G310 helixtrans5512.3-166-60.2-53.5000115.1Q30 N313 Y314Q30-N316 PolarHBondContact NE2-OD1 3.23Å; N313-N316 VanDerWaalsContact O-CA 3.28Å; N313-N316 WeakPolarHBondContact O-CA 3.48Å; N313-N316 PolarHBondContact O-N 3.18Å; Y314-N316 PolarHBondContact O-N 2.98Å
317E65.2Low80.2Confident161 Ų16130 Ų3075%0.75216%0.164SC*.THydrogen-bonded Turntrans-112-35.8-176.2-72.5-177.9173.200111.5Y314 C315Y314-E317 PolarHBondContact O-N 3.21Å; C315-E317 HydrophobicContact CB-CB 4.41Å; C315-E317 PolarHBondContact O-N 3.47Å
318F65.8Low79.1Confident88 Ų8831 Ų3139%0.38617%0.168SC..  trans-82.2149.6178-62.5-89000109.5N313 Y314 C315 N320N313-F318 CarbonylContact C-O 3.55Å; N313-F318 WeakPolarHBondContact CA-O 3.46Å; Y314-F318 AromaticContact CD1-CD2 3.5Å; Y314-F318 HydrophobicContact CD1-CD2 3.5Å; Y314-F318 VanDerWaalsContact CD1-CD2 3.5Å; Y314-F318 AromaticContact CD1-CE2 3.73Å; Y314-F318 HydrophobicContact CD1-CE2 3.73Å; Y314-F318 HydrophobicContact CD1-CG 4.22Å; Y314-F318 HydrophobicContact CE1-CD2 4.38Å; Y314-F318 HydrophobicContact CE1-CE2 4.18Å; Y314-F318 HydrophobicContact CG-CD2 4.12Å; Y314-F318 VanDerWaalsContact O-CD2 3.26Å; Y314-F318 WeakPolarHBondContact O-CD2 3.24Å; Y314-F318 PolarHBondContact O-N 3.39Å; C315-F318 HydrophobicContact CB-CD2 4.35Å; C315-F318 HydrophobicContact CB-CE2 4.45Å; F318-N320 WeakPolarHBondContact CB-OD1 3.29Å
319S75.7Confident77.7Confident100 Ų10032.4 Ų32.470%0.69918%0.178SC*.  trans-104.926.9176.561.40000112.2
320N80.4Confident75.8Confident4 Ų435.5 Ų35.52%0.02119%0.194CC..PPolyproline II helixtrans-72.6150-177.870.6-67.1000111.7V292 D294 F309 A311 N313 Y314 F318V292-N320 HydrophobicContact CG2-CB 4.23Å; D294-N320 CarbonylContact O-C 3.11Å; D294-N320 VanDerWaalsContact O-CA 3.28Å; D294-N320 WeakPolarHBondContact O-CA 3.48Å; F309-N320 WeakPolarHBondContact CD1-ND2 3.38Å; A311-N320 PolarHBondContact O-ND2 2.87Å; N313-N320 PolarHBondContact N-O 3.04Å; N313-N320 PolarHBondContact N-OD1 3.2Å; Y314-N320 WeakPolarHBondContact CB-OD1 3.48Å; Y314-N320 PolarHBondContact N-OD1 3.3Å; F318-N320 WeakPolarHBondContact CB-OD1 3.29Å
321S79.2Confident74Confident36 Ų3637.8 Ų37.825%0.25221%0.214SC..PPolyproline II helixtrans-82.4165.4168.1-55.10000110.8D294 G296D294-S321 PolarHBondContact O-N 2.91Å; G296-S321 WeakPolarHBondContact CA-O 3.49Å; G296-S321 PolarHBondContact N-O 3.03Å
322A80.6Confident72.2Confident4 Ų439.9 Ų39.93%0.03323%0.225CC..PPolyproline II helixtrans-96.1143.5167.900000110.6L25 F309 S310 P312L25-A322 HydrophobicContact CD1-CB 4.21Å; F309-A322 CarbonylContact O-C 3.52Å; F309-A322 WeakPolarHBondContact O-CA 3.11Å; S310-A322 WeakPolarHBondContact O-CB 3.2Å; P312-A322 HydrophobicContact CB-CB 3.91Å; P312-A322 HydrophobicContact CG-CB 4.16Å
323G79.5Confident70.4Confident2 Ų241.9 Ų41.92%0.02123%0.234CC..  trans-122.8154.5173.600000111.5G296 I308 F309 S310G296-G323 WeakPolarHBondContact O-CA 3.46Å; G296-G323 PolarHBondContact O-N 3.4Å; I308-G323 WeakPolarHBondContact CG2-O 3.28Å; F309-G323 PolarHBondContact O-N 3.43Å; S310-G323 PolarHBondContact OG-O 2.9Å
324I85.3Confident68.8Low3 Ų344.3 Ų44.32%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-138.6144.6169.3-162.8175.1000108.4Q21 C102 I103 C104 L117 T121 Y129Q21-I324 HydrophobicContact CB-CG2 4Å; Q21-I324 PolarHBondContact N-O 3.02Å; Q21-I324 PolarHBondContact O-N 2.85Å; Q21-I324 VanDerWaalsContact O-N 3.12Å; C102-I324 HydrophobicContact CB-CD1 3.82Å; C102-I324 HydrophobicContact CB-CG1 4.37Å; I103-I324 VanDerWaalsContact O-CG1 3.31Å; I103-I324 WeakPolarHBondContact O-CG1 3.2Å; C104-I324 WeakPolarHBondContact SG-CD1 3.29Å; L117-I324 HydrophobicContact CD1-CD1 4.45Å; L117-I324 HydrophobicContact CD2-CD1 3.96Å; L117-I324 HydrophobicContact CG-CD1 4.25Å; T121-I324 HydrophobicContact CG2-CD1 3.75Å; T121-I324 HydrophobicContact CG2-CG2 3.88Å; Y129-I324 HydrophobicContact CE1-CD1 3.99Å
325M86.1Confident67.5Low0 Ų047.9 Ų47.90%027%0.266CS..EExtended strand (participates in β ladder)trans-109.6125.2176.2177.4179136.100110F18 V20 C102 I103 I211 L285 V306 I308 A327F18-M325 HydrophobicContact CB-CE 3.92Å; F18-M325 HydrophobicContact CG-CE 4.48Å; V20-M325 HydrophobicContact CG2-CB 4.41Å; V20-M325 HydrophobicContact CG2-CG 4.16Å; C102-M325 CarbonylContact C-O 3.58Å; C102-M325 WeakPolarHBondContact CA-O 3.26Å; I103-M325 HydrophobicContact CB-CB 4.3Å; I103-M325 HydrophobicContact CD1-CE 3.79Å; I103-M325 HydrophobicContact CD1-SD 4.47Å; I103-M325 PolarHBondContact N-O 3.3Å; I103-M325 PolarHBondContact O-N 3.39Å; I211-M325 HydrophobicContact CD1-CE 3.82Å; I211-M325 HydrophobicContact CG2-CE 4.21Å; L285-M325 HydrophobicContact CD2-CE 3.58Å; L285-M325 HydrophobicContact CD2-SD 4.02Å; V306-M325 HydrophobicContact CG1-SD 3.82Å; I308-M325 HydrophobicContact CD1-CB 3.37Å; I308-M325 HydrophobicContact CD1-CG 4.3Å; I308-M325 HydrophobicContact CD1-SD 3.99Å; I308-M325 HydrophobicContact CG1-CB 4.26Å; M325-A327 HydrophobicContact CE-CB 4.35Å
326Q83.3Confident66.1Low23 Ų2347.6 Ų47.611%0.10727%0.266CS..EExtended strand (participates in β ladder)trans-96.3114.2170.6-67.6179.4-26.500108.3F18 K19 M328F18-Q326 CarbonylContact C-O 3.53Å; F18-Q326 WeakPolarHBondContact CA-O 3.47Å; K19-Q326 PolarHBondContact N-O 3.13Å; K19-Q326 PolarHBondContact O-N 2.91Å; Q326-M328 HydrophobicContact CB-CE 4.14Å
327A78.9Confident65.3Low1 Ų148 Ų481%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-91.3122.6166.900000107.9P100 I101 V207 I211 M325P100-A327 CarbonylContact C-O 3.53Å; P100-A327 VanDerWaalsContact CA-O 3.29Å; P100-A327 WeakPolarHBondContact CA-O 3.33Å; I101-A327 HydrophobicContact CG2-CB 4.03Å; I101-A327 PolarHBondContact N-O 3.43Å; I101-A327 PolarHBondContact O-N 3.35Å; V207-A327 HydrophobicContact CG1-CB 4.44Å; I211-A327 HydrophobicContact CD1-CB 4Å; M325-A327 HydrophobicContact CE-CB 4.35Å
328M70.8Confident64.3Low26 Ų2646.8 Ų46.813%0.12827%0.266CS..EExtended strand (participates in β ladder)trans-121.2145.5-177.3-68175173.400109.2Y17 Q326 D332 E333 A336Y17-M328 PolarHBondContact N-O 3Å; Y17-M328 VanDerWaalsContact N-O 3.16Å; Y17-M328 PolarHBondContact O-N 3.15Å; Q326-M328 HydrophobicContact CB-CE 4.14Å; M328-D332 HydrophobicContact CB-CB 4.27Å; M328-E333 HydrophobicContact SD-CB 4.4Å; M328-A336 HydrophobicContact CE-CB 4.38Å
329S60.6Low63.1Low30 Ų3049.7 Ų49.721%0.2128%0.281CS..EExtended strand (participates in β ladder)trans-69.1152.7160.2-177.80000108.9A331 D332 E333S329-A331 PolarHBondContact O-N 3.39Å; S329-A331 VanDerWaalsContact O-N 3.13Å; S329-D332 VanDerWaalsContact CB-OD2 3.3Å; S329-D332 WeakPolarHBondContact CB-OD2 3.47Å; S329-D332 PolarHBondContact N-OD2 3.12Å; S329-D332 PolarHBondContact O-N 3.09Å; S329-E333 PolarHBondContact O-N 3.33Å
330L53.1Low61.5Low66 Ų6650.6 Ų50.635%0.34628%0.278SS..Hα-helixtrans-52.4-34.4171.2177.671.5000111.2Y17 L334Y17-L330 HydrophobicContact CD2-CB 3.98Å; Y17-L330 HydrophobicContact CD2-CD1 3.83Å; Y17-L330 HydrophobicContact CD2-CG 4.49Å; Y17-L330 HydrophobicContact CE2-CB 3.9Å; Y17-L330 HydrophobicContact CE2-CD1 3.18Å; Y17-L330 HydrophobicContact CE2-CG 4.02Å; L330-L334 HydrophobicContact CD1-CD1 4.45Å; L330-L334 HydrophobicContact CG-CD1 4.16Å; L330-L334 WeakPolarHBondContact O-CB 3.38Å; L330-L334 WeakPolarHBondContact O-CD1 3.16Å; L330-L334 PolarHBondContact O-N 2.86Å; L330-L334 VanDerWaalsContact O-N 3.15Å
331A51.9Low59.4Low55 Ų5557 Ų5746%0.45531%0.307SS..Hα-helixtrans-63.3-39.8175.200000112.4S329 L335S329-A331 PolarHBondContact O-N 3.39Å; S329-A331 VanDerWaalsContact O-N 3.13Å; A331-L335 WeakPolarHBondContact O-CD1 3.31Å; A331-L335 WeakPolarHBondContact O-CG 3.48Å; A331-L335 PolarHBondContact O-N 3.32Å; A331-L335 VanDerWaalsContact O-N 3.12Å
332D49Very low57.2Low44 Ų4464 Ų6424%0.23534%0.336CS..Hα-helixtrans-77.8-31.4-179-57.9-43.6000112.5P100 M328 S329 L335 A336P100-D332 HydrophobicContact CB-CB 4.43Å; P100-D332 VanDerWaalsContact CD-OD2 3.23Å; P100-D332 WeakPolarHBondContact CD-OD2 3.45Å; M328-D332 HydrophobicContact CB-CB 4.27Å; S329-D332 VanDerWaalsContact CB-OD2 3.3Å; S329-D332 WeakPolarHBondContact CB-OD2 3.47Å; S329-D332 PolarHBondContact N-OD2 3.12Å; S329-D332 PolarHBondContact O-N 3.09Å; D332-L335 CarbonylContact O-C 3.57Å; D332-L335 PolarHBondContact O-N 2.91Å; D332-A336 VanDerWaalsContact O-CB 3.23Å; D332-A336 WeakPolarHBondContact O-CB 3.4Å; D332-A336 PolarHBondContact O-N 2.53Å
333E43.6Very low54.8Low45 Ų4569.5 Ų69.521%0.2137%0.372CS..Hα-helixtrans-68.6-41.6173-172179.1-159.500110.6Y17 M328 S329 L335 A336 D337Y17-E333 VanDerWaalsContact CB-OE2 3.28Å; Y17-E333 WeakPolarHBondContact CB-OE2 3.23Å; Y17-E333 WeakPolarHBondContact CD1-OE2 3.06Å; M328-E333 HydrophobicContact SD-CB 4.4Å; S329-E333 PolarHBondContact O-N 3.33Å; E333-L335 PolarHBondContact O-N 3.19Å; E333-A336 PolarHBondContact O-N 3.22Å; E333-D337 VanDerWaalsContact O-CB 3.26Å; E333-D337 WeakPolarHBondContact O-CB 3.15Å; E333-D337 PolarHBondContact O-N 2.96Å
334L45Very low52.4Low108 Ų10873.7 Ų73.757%0.56541%0.406SS*.Hα-helixtrans-59-34.8171.8-85.1155.8000111.9L330 L338L330-L334 HydrophobicContact CD1-CD1 4.45Å; L330-L334 HydrophobicContact CG-CD1 4.16Å; L330-L334 WeakPolarHBondContact O-CB 3.38Å; L330-L334 WeakPolarHBondContact O-CD1 3.16Å; L330-L334 PolarHBondContact O-N 2.86Å; L330-L334 VanDerWaalsContact O-N 3.15Å; L334-L338 WeakPolarHBondContact O-CD1 3.24Å; L334-L338 WeakPolarHBondContact O-CG 3.45Å
335L49.1Very low49.8Very low91 Ų9180.7 Ų80.748%0.47644%0.444SS..Hα-helixtrans-76.9-43.5174.6-81.5158.2000112.8A331 D332 E333 D337 L338 E339A331-L335 WeakPolarHBondContact O-CD1 3.31Å; A331-L335 WeakPolarHBondContact O-CG 3.48Å; A331-L335 PolarHBondContact O-N 3.32Å; A331-L335 VanDerWaalsContact O-N 3.12Å; D332-L335 CarbonylContact O-C 3.57Å; D332-L335 PolarHBondContact O-N 2.91Å; E333-L335 PolarHBondContact O-N 3.19Å; L335-D337 PolarHBondContact O-N 2.89Å; L335-L338 CarbonylContact O-C 3.56Å; L335-L338 WeakPolarHBondContact O-CA 3.39Å; L335-L338 VanDerWaalsContact O-CB 3.31Å; L335-L338 WeakPolarHBondContact O-CB 3.18Å; L335-L338 PolarHBondContact O-N 3.17Å; L335-E339 WeakPolarHBondContact O-CG 3.37Å; L335-E339 PolarHBondContact O-N 3.47Å
336A42Very low47.2Very low21 Ų2186.5 Ų86.517%0.17447%0.474CS..Hα-helixtrans-67.8-36.2-179.900000112.1M328 D332 E333 L338 E339 D340M328-A336 HydrophobicContact CE-CB 4.38Å; D332-A336 VanDerWaalsContact O-CB 3.23Å; D332-A336 WeakPolarHBondContact O-CB 3.4Å; D332-A336 PolarHBondContact O-N 2.53Å; E333-A336 PolarHBondContact O-N 3.22Å; A336-L338 PolarHBondContact O-N 2.85Å; A336-E339 PolarHBondContact O-N 2.89Å; A336-D340 PolarHBondContact O-N 2.88Å
337D46.8Very low44.6Very low100 Ų10089.3 Ų89.354%0.53550%0.502SS..Hα-helixtrans-67.7-21172.1-76.5-13.1000112.1E333 L335E333-D337 VanDerWaalsContact O-CB 3.26Å; E333-D337 WeakPolarHBondContact O-CB 3.15Å; E333-D337 PolarHBondContact O-N 2.96Å; L335-D337 PolarHBondContact O-N 2.89Å
338L44.3Very low42.2Very low136 Ų13694 Ų9471%0.71252%0.524SS*.Hα-helixtrans-84.1-21.8169.6-68.2165.4000112.6L334 L335 A336L334-L338 WeakPolarHBondContact O-CD1 3.24Å; L334-L338 WeakPolarHBondContact O-CG 3.45Å; L335-L338 CarbonylContact O-C 3.56Å; L335-L338 WeakPolarHBondContact O-CA 3.39Å; L335-L338 VanDerWaalsContact O-CB 3.31Å; L335-L338 WeakPolarHBondContact O-CB 3.18Å; L335-L338 PolarHBondContact O-N 3.17Å; A336-L338 PolarHBondContact O-N 2.85Å
339E40.4Very low40.2Very low148 Ų148100.1 Ų100.169%0.69255%0.553SS**Hα-helixtrans-95-23.4-176.4-73.3-178.9173.400114.5L335 A336 E341L335-E339 WeakPolarHBondContact O-CG 3.37Å; L335-E339 PolarHBondContact O-N 3.47Å; A336-E339 PolarHBondContact O-N 2.89Å; E339-E341 PolarHBondContact O-N 2.92Å
340D41.2Very low38.7Very low119 Ų119102.9 Ų102.964%0.63656%0.564SS**  trans-773.1-179.7-87.2-22.7000114.4A336 E342A336-D340 PolarHBondContact O-N 2.88Å; D340-E342 PolarHBondContact O-N 3.16Å
341E37.2Very low37.4Very low138 Ų138103.5 Ų103.565%0.64557%0.574SS**SBendtrans-78.3102.7164.8-71.4-153.7158.800110.2E339E339-E341 PolarHBondContact O-N 2.92Å
342E32.3Very low36.2Very low183 Ų183106.6 Ų106.686%0.85558%0.583SS**  trans-32.2131.5-172.6-81.6-152.5166.400116.3D340 A344D340-E342 PolarHBondContact O-N 3.16Å; E342-A344 PolarHBondContact O-N 3.1Å; E342-A344 VanDerWaalsContact O-N 3.07Å
343P30.6Very low35.2Very low121 Ų121110.3 Ų110.379%0.78660%0.603SS**  trans-77.9101175.631.1-30.8000110.5
344A29.8Very low34.4Very low90 Ų90118 Ų11874%0.74464%0.636SS**SBendtrans-95.598140.800000107.7E342E342-A344 PolarHBondContact O-N 3.1Å; E342-A344 VanDerWaalsContact O-N 3.07Å
345D30.9Very low33.5Very low149 Ų149122.1 Ų122.180%0.79765%0.652SS**SBendtrans59.684.2166.3-52.9-35.1000117.2
346L31.4Very low32.4Very low122 Ų122121.6 Ų121.664%0.63966%0.661SS**  172.6134.7121.7-115.577.5000112.4A573L346-A573 HydrophobicContact CD2-CB 4.48Å
347A27.3Very low31.7Very low83 Ų83127 Ų12769%0.68669%0.691SS**  trans-90.3172.6169.400000112.6
348M28.2Very low30.7Very low99 Ų99130.3 Ų130.349%0.48871%0.709SS.*  trans89.299.7172.6-69.5175.165.600114.7
349E30.1Very low29.8Very low155 Ų155126.7 Ų126.772%0.72471%0.705SS**  72.7132.282.7-79.4174.7-171.100108.9
350I28.3Very low29.3Very low88 Ų88128.1 Ų128.145%0.45172%0.715SS.*  -159.5134.6102.2-59.6-148.4000111.1K570I350-K570 HydrophobicContact CB-CB 3.49Å; I350-K570 VanDerWaalsContact CB-CB 3.49Å; I350-K570 HydrophobicContact CB-CD 3.48Å; I350-K570 VanDerWaalsContact CB-CD 3.48Å; I350-K570 HydrophobicContact CB-CG 3.33Å; I350-K570 VanDerWaalsContact CD1-CA 3.49Å; I350-K570 HydrophobicContact CD1-CB 3.74Å; I350-K570 HydrophobicContact CD1-CD 4.4Å; I350-K570 HydrophobicContact CD1-CG 3.42Å; I350-K570 VanDerWaalsContact CD1-CG 3.42Å; I350-K570 VanDerWaalsContact CG1-CA 3.49Å; I350-K570 HydrophobicContact CG1-CB 3.45Å; I350-K570 VanDerWaalsContact CG1-CB 3.45Å; I350-K570 HydrophobicContact CG1-CD 4.2Å; I350-K570 HydrophobicContact CG1-CG 3.48Å; I350-K570 VanDerWaalsContact CG1-CG 3.48Å; I350-K570 HydrophobicContact CG2-CB 4.21Å; I350-K570 HydrophobicContact CG2-CD 3.21Å; I350-K570 HydrophobicContact CG2-CG 3.46Å; I350-K570 VanDerWaalsContact CG2-CG 3.46Å; I350-K570 VanDerWaalsContact CG2-NZ 3.34Å
351S26.9Very low28.6Very low78 Ų78125.7 Ų125.755%0.54572%0.718SS.*  trans-77164.8166.260.40000113.5K570S351-K570 PolarHBondContact O-NZ 3.38Å
352D26.8Very low28.1Very low120 Ų120124.1 Ų124.164%0.64273%0.729SS**  trans71.2103.4154.1-51.4-37.5000117.8K570D352-K570 PolarHBondContact O-NZ 3.37Å
353D27.3Very low27.8Very low123 Ų123120.1 Ų120.166%0.65872%0.721SS**  171.485.5121.6-81.8-27.8000109.2
354F26.8Very low27.8Very low205 Ų205121.5 Ų121.590%0.89973%0.727SS**  trans-144.965.7157.2-109.2-81.2000110.2
355H25.5Very low27.8Very low195 Ų195121.4 Ų121.490%0.90373%0.727SS**  trans-83.5140.1148.9-93.3-59.3000109
356A25.7Very low27.7Very low80 Ų80121.1 Ų121.166%0.66173%0.73SS**  trans79.298.7173.400000115.9
357V28.6Very low27.4Very low135 Ų135125.7 Ų125.782%0.81874%0.739SS**  -158.5111.196.8175.50000108
358N24.8Very low27.6Very low170 Ų170130.3 Ų130.391%0.90975%0.749SS**  trans-63.4128.9160.8-82.4-40.1000109.1
359G25.9Very low28Very low60 Ų60129.2 Ų129.262%0.61975%0.747SS**  trans114.195.2160.500000114.5
360I30.4Very low28.7Very low177 Ų177127.2 Ų127.291%0.90875%0.746SS**  -179.2111.5130-82.6146.2000104.9
361G25.2Very low30.1Very low68 Ų68128 Ų12870%0.70174%0.744SS**  trans-79.3156.3-177.700000113.9
362A26.5Very low31.9Very low106 Ų106128.9 Ų128.988%0.87674%0.743SS**  trans65.8141147.300000120.3
363S27.1Very low34Very low98 Ų98128.9 Ų128.969%0.68573%0.734SS**  trans91.288.5153.4178.60000119.2
364T30Very low36.2Very low150 Ų150123 Ų12392%0.9270%0.703SS**  trans-150.750.1140.3-8.20000112.6
365A29.5Very low38.5Very low89 Ų89116.3 Ų116.374%0.73668%0.679SS**SBendtrans-81.2129.4152.900000107.8R367A365-R367 VanDerWaalsContact C-N 3.28Å; A365-R367 PolarHBondContact O-N 3.34Å
366T29.4Very low40.5Very low142 Ų142109.2 Ų109.287%0.87165%0.654SS**  trans-56.480179-43.90000112.4
367R25.4Very low42.5Very low218 Ų218107.7 Ų107.782%0.82364%0.636SS**  trans-81.9131.8140.8-95.3177.5156.5160.1-5.6105.9A365 V369A365-R367 VanDerWaalsContact C-N 3.28Å; A365-R367 PolarHBondContact O-N 3.34Å; R367-V369 HydrophobicContact CB-CG2 4.1Å; R367-V369 PolarHBondContact O-N 3.48Å
368M30.3Very low44.5Very low180 Ų180101.4 Ų101.489%0.88760%0.598SS**  trans-60.381.9160.9-76.8171.665.200107.7T370M368-T370 PolarHBondContact O-N 3.07Å
369V37.8Very low47.2Very low76 Ų7699 Ų9946%0.46158%0.581SS.*  trans-81.9111.4162.6-176.80000104.3R367 Y371R367-V369 HydrophobicContact CB-CG2 4.1Å; R367-V369 PolarHBondContact O-N 3.48Å; V369-Y371 VanDerWaalsContact C-N 3.28Å; V369-Y371 HydrophobicContact CB-CD2 4.33Å; V369-Y371 HydrophobicContact CB-CE1 4.2Å; V369-Y371 HydrophobicContact CB-CE2 3.73Å; V369-Y371 HydrophobicContact CG1-CD1 4.01Å; V369-Y371 HydrophobicContact CG1-CD2 4.4Å; V369-Y371 HydrophobicContact CG1-CE1 3.54Å; V369-Y371 HydrophobicContact CG1-CE2 3.99Å; V369-Y371 HydrophobicContact CG1-CG 4.42Å; V369-Y371 VanDerWaalsContact O-CD2 3.26Å; V369-Y371 WeakPolarHBondContact O-CD2 3.32Å; V369-Y371 PolarHBondContact O-N 2.94Å
370T45.1Very low49.7Very low113 Ų11397.1 Ų97.169%0.69356%0.557SS**  trans-67.888.6174.946.60000108M368M368-T370 PolarHBondContact O-N 3.07Å
371Y57.6Low52Low104 Ų10490 Ų9041%0.40852%0.521SS..  trans-78.2125.1168.2-56.8-73.9000108.4V369 A376 V377 K443V369-Y371 VanDerWaalsContact C-N 3.28Å; V369-Y371 HydrophobicContact CB-CD2 4.33Å; V369-Y371 HydrophobicContact CB-CE1 4.2Å; V369-Y371 HydrophobicContact CB-CE2 3.73Å; V369-Y371 HydrophobicContact CG1-CD1 4.01Å; V369-Y371 HydrophobicContact CG1-CD2 4.4Å; V369-Y371 HydrophobicContact CG1-CE1 3.54Å; V369-Y371 HydrophobicContact CG1-CE2 3.99Å; V369-Y371 HydrophobicContact CG1-CG 4.42Å; V369-Y371 VanDerWaalsContact O-CD2 3.26Å; V369-Y371 WeakPolarHBondContact O-CD2 3.32Å; V369-Y371 PolarHBondContact O-N 2.94Å; Y371-A376 HydrophobicContact CD1-CB 3.86Å; Y371-A376 HydrophobicContact CG-CB 4.47Å; Y371-V377 HydrophobicContact CD2-CG2 4.17Å; Y371-V377 HydrophobicContact CG-CG2 4Å; Y371-K443 PolarHBondContact O-NZ 3.22Å
372D63.4Low54.5Low98 Ų9892.1 Ų92.152%0.52452%0.516SS..  trans-90-34.4179.9-75-28000112.7K443 H513D372-K443 IonicContact OD1-NZ 3.71Å; D372-H513 PolarHBondContact O-ND1 3.16Å
373R72.2Confident57.2Low119 Ų11990.2 Ų90.245%0.44949%0.491SS..SBendtrans-114.2151.9-179.5-58.9-167.384108.29.2112.9T375 A376 E516R373-T375 VanDerWaalsContact C-N 3.32Å; R373-T375 PolarHBondContact O-N 3.32Å; R373-A376 WeakPolarHBondContact O-CB 3.42Å; R373-A376 PolarHBondContact O-N 3.01Å; R373-E516 IonicContact CZ-OE2 2.62Å; R373-E516 IonicContact NE-OE2 3.22Å; R373-E516 IonicContact NH2-OE2 3.19Å; R373-E516 PolarHBondContact NH2-OE2 2.88Å
374V73.3Confident59.8Low1 Ų193.2 Ų93.21%0.00649%0.494CS..G310 helixtrans-64.1-36.3-178.9-170.90000112.3A376 V377 A378 V436 F439 H513 E516 A517 M520V374-A376 PolarHBondContact O-N 3.31Å; V374-A376 VanDerWaalsContact O-N 3.1Å; V374-V377 PolarHBondContact O-N 3.1Å; V374-A378 HydrophobicContact CG1-CB 4.45Å; V374-A378 PolarHBondContact O-N 3.29Å; V374-V436 HydrophobicContact CG1-CG1 4.48Å; V374-F439 HydrophobicContact CG2-CD1 4.14Å; V374-F439 HydrophobicContact CG2-CE1 3.62Å; V374-F439 HydrophobicContact CG2-CZ 4.13Å; V374-H513 WeakPolarHBondContact CG2-O 3.31Å; V374-E516 HydrophobicContact CG2-CB 4.4Å; V374-E516 HydrophobicContact CG2-CG 4.42Å; V374-A517 HydrophobicContact CG1-CB 4.14Å; V374-A517 HydrophobicContact CG2-CB 3.51Å; V374-M520 HydrophobicContact CG1-CE 3.21Å; V374-M520 HydrophobicContact CG1-SD 3.61Å
375T74.3Confident62.4Low64 Ų6491 Ų9139%0.39347%0.469SS..G310 helixtrans-62.2-16.4178.952.60000114.1R373 V377 H379R373-T375 VanDerWaalsContact C-N 3.32Å; R373-T375 PolarHBondContact O-N 3.32Å; T375-V377 VanDerWaalsContact C-N 3.34Å; T375-H379 PolarHBondContact O-CE1 3.28Å; T375-H379 PolarHBondContact O-ND1 3.35Å
376A67.4Low65Low46 Ų4687.4 Ų87.438%0.3844%0.437SS..G310 helixtrans-82.9-12.8173.700000113.2Y371 R373 V374Y371-A376 HydrophobicContact CD1-CB 3.86Å; Y371-A376 HydrophobicContact CG-CB 4.47Å; R373-A376 WeakPolarHBondContact O-CB 3.42Å; R373-A376 PolarHBondContact O-N 3.01Å; V374-A376 PolarHBondContact O-N 3.31Å; V374-A376 VanDerWaalsContact O-N 3.1Å
377V67.8Low67.7Low47 Ų4786 Ų8629%0.28542%0.419SS..THydrogen-bonded Turntrans-118.7-27.1-174.2-159.60000111.7Y371 V374 T375 V435 F439Y371-V377 HydrophobicContact CD2-CG2 4.17Å; Y371-V377 HydrophobicContact CG-CG2 4Å; V374-V377 PolarHBondContact O-N 3.1Å; T375-V377 VanDerWaalsContact C-N 3.34Å; V377-V435 HydrophobicContact CB-CG1 4.45Å; V377-V435 HydrophobicContact CG1-CG1 3.42Å; V377-V435 VanDerWaalsContact CG1-CG1 3.42Å; V377-F439 HydrophobicContact CG2-CD2 4.26Å
378A71.7Confident70.6Confident4 Ų480 Ų803%0.03341%0.406CS..  trans-123.3134.5178.700000110.4V374 E432 V436 M520V374-A378 HydrophobicContact CG1-CB 4.45Å; V374-A378 PolarHBondContact O-N 3.29Å; A378-E432 VanDerWaalsContact C-OE1 3.31Å; A378-E432 VanDerWaalsContact CA-OE1 3.27Å; A378-E432 WeakPolarHBondContact CA-OE1 3.46Å; A378-E432 HydrophobicContact CB-CG 3.86Å; A378-E432 VanDerWaalsContact CB-OE1 3.29Å; A378-E432 WeakPolarHBondContact CB-OE1 3.32Å; A378-V436 HydrophobicContact CB-CG2 3.89Å; A378-M520 HydrophobicContact CB-CE 3.38Å; A378-M520 HydrophobicContact CB-SD 4Å
379H80.6Confident73.2Confident119 Ų11971.6 Ų71.655%0.55137%0.365SS*.  trans-130.8-14.2-171-59.4-47.6000114T375 L381 N382 D383 E432T375-H379 PolarHBondContact O-CE1 3.28Å; T375-H379 PolarHBondContact O-ND1 3.35Å; H379-L381 PolarHBondContact O-N 3.34Å; H379-N382 PolarHBondContact O-N 3.02Å; H379-D383 PolarHBondContact O-N 2.89Å; H379-E432 PolarHBondContact N-OE1 2.86Å
380L79.5Confident75.5Confident20 Ų2069 Ų6911%0.10535%0.349CS..G310 helixtrans-65.3-38.1-167.6-16268.3000113.2N382 D383 F386 L425 D428 I429 E432 L524L380-N382 PolarHBondContact O-N 2.89Å; L380-D383 VanDerWaalsContact O-CB 3.22Å; L380-D383 WeakPolarHBondContact O-CB 3.17Å; L380-D383 PolarHBondContact O-N 2.8Å; L380-F386 HydrophobicContact CD2-CD2 4.17Å; L380-F386 HydrophobicContact CG-CD2 3.97Å; L380-F386 VanDerWaalsContact O-CB 3.25Å; L380-F386 WeakPolarHBondContact O-CB 3.14Å; L380-L425 HydrophobicContact CD1-CD1 4.12Å; L380-L425 HydrophobicContact CD2-CD1 4.4Å; L380-L425 HydrophobicContact CG-CD1 4.44Å; L380-D428 HydrophobicContact CD1-CB 4.19Å; L380-D428 HydrophobicContact CD2-CB 4.2Å; L380-I429 HydrophobicContact CD2-CB 4.37Å; L380-I429 HydrophobicContact CD2-CG1 3.61Å; L380-E432 VanDerWaalsContact CB-CD 3.41Å; L380-E432 WeakPolarHBondContact CB-OE1 3.37Å; L380-E432 WeakPolarHBondContact CB-OE2 3.39Å; L380-E432 PolarHBondContact N-OE1 2.88Å; L380-L524 HydrophobicContact CD2-CD2 4.25Å
381L77.3Confident77.5Confident29 Ų2968.5 Ų68.515%0.15234%0.341CS..G310 helixtrans-62.7-26.2176.7-78.6162.6000112.9H379 F386 M520 E523 L524H379-L381 PolarHBondContact O-N 3.34Å; L381-F386 HydrophobicContact CD2-CE1 3.77Å; L381-F386 HydrophobicContact CD2-CZ 3.9Å; L381-M520 HydrophobicContact CD1-CB 4.36Å; L381-M520 HydrophobicContact CD1-CG 3.16Å; L381-M520 HydrophobicContact CD1-SD 4.1Å; L381-E523 HydrophobicContact CD2-CG 4.13Å; L381-L524 HydrophobicContact CD1-CD2 4.34Å; L381-L524 HydrophobicContact CD1-CG 4.2Å; L381-L524 HydrophobicContact CD2-CD2 4.23Å; L381-L524 HydrophobicContact CG-CD2 3.91Å; L381-L524 HydrophobicContact CG-CG 4.31Å
382N77.8Confident78.8Confident111 Ų11165.1 Ų65.159%0.59434%0.335SS*.G310 helixtrans-89.5-10.6176.5-67.8-33.7000112.6H379 L380H379-N382 PolarHBondContact O-N 3.02Å; L380-N382 PolarHBondContact O-N 2.89Å
383D83.4Confident79.7Confident67 Ų6760.6 Ų60.636%0.35831%0.311SS..  trans-69131.2179.6-166.8-4.5000110.8H379 L380 R385 F386H379-D383 PolarHBondContact O-N 2.89Å; L380-D383 VanDerWaalsContact O-CB 3.22Å; L380-D383 WeakPolarHBondContact O-CB 3.17Å; L380-D383 PolarHBondContact O-N 2.8Å; D383-R385 PolarHBondContact O-N 2.74Å; D383-R385 PolarHBondContact OD1-N 2.73Å; D383-R385 VanDerWaalsContact OD1-N 3.13Å; D383-F386 HydrophobicContact CB-CB 4.36Å; D383-F386 PolarHBondContact O-N 3.12Å
384E82.2Confident80.2Confident161 Ų16159.2 Ų59.275%0.75231%0.309SS*.Hα-helixtrans-63.6-30.4175.8-69-166.5160.700111.3K387 T388E384-K387 PolarHBondContact O-N 2.81Å; E384-T388 WeakPolarHBondContact O-CB 3.48Å; E384-T388 PolarHBondContact O-N 2.96Å; E384-T388 PolarHBondContact O-OG1 3.15Å
385R83.9Confident80.7Confident104 Ų10461.4 Ų61.439%0.39233%0.328SS..Hα-helixtrans-61.6-44.6177-174.4179.7176.4-153-4.9111.6D383 K387 T388 I389 S424 D428D383-R385 PolarHBondContact O-N 2.74Å; D383-R385 PolarHBondContact OD1-N 2.73Å; D383-R385 VanDerWaalsContact OD1-N 3.13Å; R385-K387 PolarHBondContact O-N 3.11Å; R385-T388 PolarHBondContact O-N 3.12Å; R385-I389 HydrophobicContact CG-CD1 3.81Å; R385-I389 WeakPolarHBondContact O-CG1 3.29Å; R385-I389 PolarHBondContact O-N 3.42Å; R385-S424 PolarHBondContact NH2-OG 3.13Å; R385-D428 IonicContact NH1-OD2 3.82Å
386F85Confident80.8Confident12 Ų1260.3 Ų60.35%0.05332%0.318CS..Hα-helixtrans-59.4-47178.9177.4-91.4000111.6L380 L381 D383 L390 L425 I429 L524 A527L380-F386 HydrophobicContact CD2-CD2 4.17Å; L380-F386 HydrophobicContact CG-CD2 3.97Å; L380-F386 VanDerWaalsContact O-CB 3.25Å; L380-F386 WeakPolarHBondContact O-CB 3.14Å; L381-F386 HydrophobicContact CD2-CE1 3.77Å; L381-F386 HydrophobicContact CD2-CZ 3.9Å; D383-F386 HydrophobicContact CB-CB 4.36Å; D383-F386 PolarHBondContact O-N 3.12Å; F386-L390 HydrophobicContact CD1-CD1 3.91Å; F386-L390 HydrophobicContact CE1-CD1 3.33Å; F386-L390 HydrophobicContact CE1-CG 4.48Å; F386-L390 HydrophobicContact CE2-CD1 4.16Å; F386-L390 HydrophobicContact CZ-CD1 3.48Å; F386-L390 VanDerWaalsContact CZ-CD1 3.48Å; F386-L390 PolarHBondContact O-N 2.91Å; F386-L390 VanDerWaalsContact O-N 3.15Å; F386-L425 HydrophobicContact CB-CD1 4.36Å; F386-L425 HydrophobicContact CD2-CD1 3.92Å; F386-L425 HydrophobicContact CD2-CD2 3.92Å; F386-L425 HydrophobicContact CD2-CG 4.14Å; F386-I429 HydrophobicContact CE2-CD1 4.04Å; F386-I429 HydrophobicContact CE2-CG1 4.24Å; F386-L524 HydrophobicContact CE2-CD2 4.34Å; F386-A527 HydrophobicContact CE2-CB 4.02Å; F386-A527 HydrophobicContact CZ-CB 3.62Å
387K85.5Confident81.2Confident113 Ų11363.5 Ų63.549%0.49132%0.321SS..Hα-helixtrans-65.8-40.6178.7-68.4175.5-177.6167.50112.4E384 R385 N391E384-K387 PolarHBondContact O-N 2.81Å; R385-K387 PolarHBondContact O-N 3.11Å; K387-N391 WeakPolarHBondContact O-CB 3.46Å; K387-N391 PolarHBondContact O-N 3.45Å; K387-N391 PolarHBondContact O-ND2 2.84Å
388T87Confident81.6Confident92 Ų9268.7 Ų68.756%0.56434%0.342SS*.Hα-helixtrans-63.6-46.3-179.6-56.70000111.5E384 R385 N391 A392E384-T388 WeakPolarHBondContact O-CB 3.48Å; E384-T388 PolarHBondContact O-N 2.96Å; E384-T388 PolarHBondContact O-OG1 3.15Å; R385-T388 PolarHBondContact O-N 3.12Å; T388-N391 PolarHBondContact O-N 3.12Å; T388-A392 WeakPolarHBondContact O-CB 2.86Å; T388-A392 PolarHBondContact O-N 2.69Å
389I85.4Confident81.6Confident4 Ų474 Ų742%0.02137%0.37CS..Hα-helixtrans-66.4-44.1-179.5-67169.3000110.9R385 N391 A392 I393 L418 E421 A422 L425R385-I389 HydrophobicContact CG-CD1 3.81Å; R385-I389 WeakPolarHBondContact O-CG1 3.29Å; R385-I389 PolarHBondContact O-N 3.42Å; I389-N391 PolarHBondContact O-N 2.83Å; I389-A392 PolarHBondContact O-N 3.43Å; I389-I393 HydrophobicContact CG2-CD1 3.95Å; I389-I393 HydrophobicContact CG2-CG1 4.5Å; I389-I393 WeakPolarHBondContact O-CG1 3.44Å; I389-I393 PolarHBondContact O-N 3.3Å; I389-L418 HydrophobicContact CG2-CD1 4.28Å; I389-E421 HydrophobicContact CD1-CB 4.1Å; I389-A422 HydrophobicContact CG2-CB 4.26Å; I389-L425 HydrophobicContact CB-CD2 3.96Å; I389-L425 HydrophobicContact CD1-CB 4.4Å; I389-L425 HydrophobicContact CD1-CD2 4.12Å; I389-L425 HydrophobicContact CG2-CD2 3.83Å
390L84.8Confident80.9Confident22 Ų2272.7 Ų72.712%0.11537%0.372CS..Hα-helixtrans-63-41.9177.6-75.4178.9000112.6F386 A392 I393 E394 A527 I531F386-L390 HydrophobicContact CD1-CD1 3.91Å; F386-L390 HydrophobicContact CE1-CD1 3.33Å; F386-L390 HydrophobicContact CE1-CG 4.48Å; F386-L390 HydrophobicContact CE2-CD1 4.16Å; F386-L390 HydrophobicContact CZ-CD1 3.48Å; F386-L390 VanDerWaalsContact CZ-CD1 3.48Å; F386-L390 PolarHBondContact O-N 2.91Å; F386-L390 VanDerWaalsContact O-N 3.15Å; L390-A392 VanDerWaalsContact C-N 3.31Å; L390-A392 PolarHBondContact O-N 3.17Å; L390-I393 PolarHBondContact O-N 3.33Å; L390-E394 WeakPolarHBondContact O-CG 3.16Å; L390-E394 PolarHBondContact O-N 3.01Å; L390-A527 HydrophobicContact CD1-CB 4.21Å; L390-A527 HydrophobicContact CD2-CB 4.49Å; L390-I531 HydrophobicContact CD2-CG1 4.4Å
391N86.8Confident80.2Confident102 Ų10277.1 Ų77.155%0.54539%0.387SS..Hα-helixtrans-64.4-36.7175.3-70.5-18.8000111.9K387 T388 I389 E394 A395K387-N391 WeakPolarHBondContact O-CB 3.46Å; K387-N391 PolarHBondContact O-N 3.45Å; K387-N391 PolarHBondContact O-ND2 2.84Å; T388-N391 PolarHBondContact O-N 3.12Å; I389-N391 PolarHBondContact O-N 2.83Å; N391-E394 PolarHBondContact O-N 3.09Å; N391-A395 WeakPolarHBondContact O-CB 3.3Å; N391-A395 PolarHBondContact O-N 3.33Å
392A84.7Confident79.4Confident33 Ų3381.7 Ų81.727%0.27341%0.412SS..Hα-helixtrans-66.2-41.6175.100000111.7T388 I389 L390 A395 H396 L418T388-A392 WeakPolarHBondContact O-CB 2.86Å; T388-A392 PolarHBondContact O-N 2.69Å; I389-A392 PolarHBondContact O-N 3.43Å; L390-A392 VanDerWaalsContact C-N 3.31Å; L390-A392 PolarHBondContact O-N 3.17Å; A392-A395 PolarHBondContact O-N 2.94Å; A392-H396 PolarHBondContact O-CD2 2.88Å; A392-H396 VanDerWaalsContact O-CD2 3.25Å; A392-H396 PolarHBondContact O-N 2.86Å; A392-L418 HydrophobicContact CB-CD1 3.72Å; A392-L418 HydrophobicContact CB-CD2 4.09Å
393I84Confident78.3Confident3 Ų379.5 Ų79.52%0.01541%0.409CS..Hα-helixtrans-59.9-47.2173.5-68.7166.9000110.4I389 L390 A395 H396 Y397 A422 I531 F534I389-I393 HydrophobicContact CG2-CD1 3.95Å; I389-I393 HydrophobicContact CG2-CG1 4.5Å; I389-I393 WeakPolarHBondContact O-CG1 3.44Å; I389-I393 PolarHBondContact O-N 3.3Å; L390-I393 PolarHBondContact O-N 3.33Å; I393-A395 VanDerWaalsContact C-N 3.34Å; I393-A395 PolarHBondContact O-N 3.29Å; I393-H396 PolarHBondContact O-N 3.38Å; I393-Y397 HydrophobicContact CG2-CD2 3.87Å; I393-Y397 HydrophobicContact CG2-CE2 3.75Å; I393-Y397 WeakPolarHBondContact O-CD2 3.3Å; I393-Y397 PolarHBondContact O-N 3.29Å; I393-A422 HydrophobicContact CD1-CB 4Å; I393-I531 HydrophobicContact CD1-CG1 3.9Å; I393-F534 HydrophobicContact CG1-CD1 4.08Å; I393-F534 HydrophobicContact CG1-CE1 4.36Å; I393-F534 HydrophobicContact CG1-CG 4.37Å; I393-F534 HydrophobicContact CG2-CB 3.82Å; I393-F534 HydrophobicContact CG2-CD1 4.4Å; I393-F534 HydrophobicContact CG2-CD2 4.08Å; I393-F534 HydrophobicContact CG2-CG 3.84Å
394E82.9Confident77Confident89 Ų8984.8 Ų84.842%0.41643%0.434SS..Hα-helixtrans-60.1-42177.1-72.8-175.8174.400111.8L390 N391 H396 Y397 E398 R530L390-E394 WeakPolarHBondContact O-CG 3.16Å; L390-E394 PolarHBondContact O-N 3.01Å; N391-E394 PolarHBondContact O-N 3.09Å; E394-H396 PolarHBondContact O-N 2.82Å; E394-Y397 WeakPolarHBondContact O-CB 3.29Å; E394-Y397 PolarHBondContact O-N 2.97Å; E394-E398 PolarHBondContact O-N 2.95Å; E394-R530 IonicContact OE1-CZ 2.66Å; E394-R530 IonicContact OE1-NH1 2.83Å; E394-R530 PolarHBondContact OE1-NH1 2.99Å
395A82.6Confident75.8Confident48 Ų4882.3 Ų82.340%0.39743%0.426SS..Hα-helixtrans-64-35.3176.400000113.7N391 A392 I393 E398 N399N391-A395 WeakPolarHBondContact O-CB 3.3Å; N391-A395 PolarHBondContact O-N 3.33Å; A392-A395 PolarHBondContact O-N 2.94Å; I393-A395 VanDerWaalsContact C-N 3.34Å; I393-A395 PolarHBondContact O-N 3.29Å; A395-E398 PolarHBondContact O-N 3.17Å; A395-N399 PolarHBondContact O-N 3.1Å
396H76.3Confident74.3Confident41 Ų4181.2 Ų81.219%0.1943%0.426CS..Hα-helixtrans-75.1-26.8176.2-85.7-81.9000113.3A392 I393 E394 E398 N399 L418 F534A392-H396 PolarHBondContact O-CD2 2.88Å; A392-H396 VanDerWaalsContact O-CD2 3.25Å; A392-H396 PolarHBondContact O-N 2.86Å; I393-H396 PolarHBondContact O-N 3.38Å; E394-H396 PolarHBondContact O-N 2.82Å; H396-E398 VanDerWaalsContact C-N 3.33Å; H396-N399 CarbonylContact O-C 3.09Å; H396-N399 PolarHBondContact O-N 3.37Å; H396-L418 WeakPolarHBondContact CD2-CD2 3.49Å; H396-F534 HydrophobicContact CB-CE2 3.82Å; H396-F534 HydrophobicContact CB-CZ 4.26Å
397Y75.3Confident72.7Confident113 Ų11389.6 Ų89.644%0.44347%0.468SS..Hα-helixtrans-65.7-37.5168.6-91.1-72.4000111.9I393 E394 E533 F534I393-Y397 HydrophobicContact CG2-CD2 3.87Å; I393-Y397 HydrophobicContact CG2-CE2 3.75Å; I393-Y397 WeakPolarHBondContact O-CD2 3.3Å; I393-Y397 PolarHBondContact O-N 3.29Å; E394-Y397 WeakPolarHBondContact O-CB 3.29Å; E394-Y397 PolarHBondContact O-N 2.97Å; Y397-E533 WeakPolarHBondContact OH-CB 3.23Å; Y397-E533 PolarHBondContact OH-O 3.2Å; Y397-F534 HydrophobicContact CD2-CD2 4.4Å; Y397-F534 HydrophobicContact CE2-CB 3.87Å; Y397-F534 HydrophobicContact CE2-CD2 4.05Å; Y397-F534 HydrophobicContact CE2-CG 4.42Å; Y397-F534 VanDerWaalsContact OH-CA 3.29Å; Y397-F534 WeakPolarHBondContact OH-CA 3.04Å; Y397-F534 PolarHBondContact OH-N 3.38Å
398E76.6Confident71.4Confident155 Ų15586.7 Ų86.772%0.72447%0.47SS*.Hα-helixtrans-70.6-30.9176.8-67.4-176.4169.500112.7E394 A395 H396E394-E398 PolarHBondContact O-N 2.95Å; A395-E398 PolarHBondContact O-N 3.17Å; H396-E398 VanDerWaalsContact C-N 3.33Å
399N71.3Confident70.2Confident116 Ų11687 Ų8762%0.6247%0.474SS*.SBendtrans-130.284.3-176.9-67.4-59.2000113A395 H396 R401A395-N399 PolarHBondContact O-N 3.1Å; H396-N399 CarbonylContact O-C 3.09Å; H396-N399 PolarHBondContact O-N 3.37Å; N399-R401 PolarHBondContact O-N 3.38Å
400P66.5Low69Low91 Ų9189.1 Ų89.159%0.59149%0.486SS*.PPolyproline II helixtrans-69.5118.117726.4-32.5000111.6
401R65.2Low68Low114 Ų11493.4 Ų93.443%0.4351%0.506SS..PPolyproline II helixtrans-71.5145.9170.3-80.4-177.5155.8-165.3-7.7112.2N399 R538N399-R401 PolarHBondContact O-N 3.38Å; R401-R538 PolarHBondContact O-NH1 3.1Å
402N60.9Low67Low124 Ų12491.3 Ų91.366%0.66350%0.5SS*.PPolyproline II helixtrans-89.2147.7174.8-77.3-30.5000111M404 D405N402-M404 PolarHBondContact O-N 3.34Å; N402-D405 PolarHBondContact O-N 3.02Å; N402-D405 VanDerWaalsContact O-N 3.15Å
403A54.7Low66.3Low65 Ų6590.6 Ų90.654%0.53749%0.491SS..G310 helixtrans-59.4-13.9-177.400000115.5Y541A403-Y541 HydrophobicContact CB-CD1 4.32Å; A403-Y541 HydrophobicContact CB-CE1 3.88Å
404M54.9Low65.9Low178 Ų17894.1 Ų94.188%0.87751%0.514SS*.G310 helixtrans-80.7-12.9179-72.2-169.5170.700114.1N402N402-M404 PolarHBondContact O-N 3.34Å
405D57.8Low65.5Low110 Ų11090.6 Ų90.659%0.58850%0.498SS*.G310 helixtrans-87.3-3-174.5-65-33000113.8N402 M407N402-D405 PolarHBondContact O-N 3.02Å; N402-D405 VanDerWaalsContact O-N 3.15Å; D405-M407 PolarHBondContact O-N 3.17Å
406M52.7Low65.2Low81 Ų8189.5 Ų89.540%0.39948%0.483SS..  trans-88.9106177.2-75.7-148.9-101.300111.6D413M406-D413 WeakPolarHBondContact CG-OD2 3.43Å; M406-D413 HydrophobicContact SD-CB 3.73Å
407M50.2Low65.2Low188 Ų18894.3 Ų94.393%0.92650%0.5SS*.  trans-118.1107167.1-74.8-176.367.600109.6D405D405-M407 PolarHBondContact O-N 3.17Å
408G59.4Low65.6Low52 Ų5289.6 Ų89.654%0.53648%0.482SS..SBendtrans145.5176.5175.900000113V410G408-V410 PolarHBondContact O-N 3.04Å
409P60.4Low65.7Low99 Ų9982.5 Ų82.564%0.64345%0.449SS*.  trans-56.5127.8167.7-18.830.9000109.4E411 S412P409-E411 PolarHBondContact O-N 3.29Å; P409-S412 WeakPolarHBondContact O-CB 3.39Å; P409-S412 PolarHBondContact O-N 3.48Å; P409-S412 PolarHBondContact O-OG 3.2Å
410V61.1Low66Low47 Ų4779.7 Ų79.729%0.28544%0.436SS..G310 helixtrans-56.1-30.3-173.4-179.80000112.3G408 S412 D413 Y416G408-V410 PolarHBondContact O-N 3.04Å; V410-S412 PolarHBondContact O-N 3.42Å; V410-D413 WeakPolarHBondContact O-CB 3.26Å; V410-D413 PolarHBondContact O-N 3.04Å; V410-Y416 HydrophobicContact CG1-CD2 3.8Å; V410-Y416 HydrophobicContact CG1-CE2 4.39Å; V410-Y416 HydrophobicContact CG1-CG 4.12Å; V410-Y416 VanDerWaalsContact O-CB 3.23Å; V410-Y416 WeakPolarHBondContact O-CB 3.23Å
411E64.2Low66.7Low112 Ų11279.6 Ų79.652%0.52343%0.428SS..G310 helixtrans-64.6-19.7175.6-60.5-178.7166.500114.4P409 Y416 R417P409-E411 PolarHBondContact O-N 3.29Å; E411-Y416 HydrophobicContact CB-CE1 4.44Å; E411-Y416 HydrophobicContact CG-CE1 4.15Å; E411-R417 PolarHBondContact O-NE 3.05Å
412S65.4Low67.5Low59 Ų5974.1 Ų74.141%0.41341%0.407SS..G310 helixtrans-87.7-11.6174.868.40000113.2P409 V410P409-S412 WeakPolarHBondContact O-CB 3.39Å; P409-S412 PolarHBondContact O-N 3.48Å; P409-S412 PolarHBondContact O-OG 3.2Å; V410-S412 PolarHBondContact O-N 3.42Å
413D70.6Confident68.3Low18 Ų1868.3 Ų68.310%0.09638%0.376CS..  trans-70.5130.2-179.5-168.5-85.4000110.7M406 V410 E415 Y416 R417M406-D413 WeakPolarHBondContact CG-OD2 3.43Å; M406-D413 HydrophobicContact SD-CB 3.73Å; V410-D413 WeakPolarHBondContact O-CB 3.26Å; V410-D413 PolarHBondContact O-N 3.04Å; D413-E415 PolarHBondContact O-N 3.01Å; D413-E415 WeakPolarHBondContact OD1-CA 3.11Å; D413-E415 WeakPolarHBondContact OD1-CB 3.21Å; D413-E415 PolarHBondContact OD1-N 3.4Å; D413-Y416 PolarHBondContact O-N 3.2Å; D413-R417 PolarHBondContact O-N 2.97Å
414P74.6Confident69.5Low77 Ų7767.4 Ų67.450%0.537%0.366SS..Hα-helixtrans-60.3-30-18023.5-34.2000113.1L418P414-L418 WeakPolarHBondContact O-CB 3.04Å; P414-L418 PolarHBondContact O-N 3.31Å
415E74.2Confident70.9Confident15 Ų1558.9 Ų58.97%0.0732%0.324CS..Hα-helixtrans-73.3-39.1177.9-161.3171.9157.900110.9D413 L418 I419 R538D413-E415 PolarHBondContact O-N 3.01Å; D413-E415 WeakPolarHBondContact OD1-CA 3.11Å; D413-E415 WeakPolarHBondContact OD1-CB 3.21Å; D413-E415 PolarHBondContact OD1-N 3.4Å; E415-L418 PolarHBondContact O-N 3.45Å; E415-I419 HydrophobicContact CG-CD1 4.46Å; E415-I419 WeakPolarHBondContact O-CD1 3.46Å; E415-I419 VanDerWaalsContact O-CG1 3.25Å; E415-I419 WeakPolarHBondContact O-CG1 3.41Å; E415-I419 PolarHBondContact O-N 3.19Å; E415-R538 VanDerWaalsContact OE1-CD 3.22Å; E415-R538 WeakPolarHBondContact OE1-CD 3.27Å; E415-R538 IonicContact OE1-CZ 3.13Å; E415-R538 IonicContact OE1-NE 3.21Å; E415-R538 PolarHBondContact OE1-NE 3.46Å; E415-R538 IonicContact OE1-NH1 2.75Å; E415-R538 PolarHBondContact OE1-NH1 3.04Å
416Y75.9Confident71.9Confident24 Ų2453.8 Ų53.89%0.09430%0.297CS..Hα-helixtrans-63.2-43.7172.5-176.8-93.3000111.5V410 E411 D413 L418 I419 V420 I542 I565V410-Y416 HydrophobicContact CG1-CD2 3.8Å; V410-Y416 HydrophobicContact CG1-CE2 4.39Å; V410-Y416 HydrophobicContact CG1-CG 4.12Å; V410-Y416 VanDerWaalsContact O-CB 3.23Å; V410-Y416 WeakPolarHBondContact O-CB 3.23Å; E411-Y416 HydrophobicContact CB-CE1 4.44Å; E411-Y416 HydrophobicContact CG-CE1 4.15Å; D413-Y416 PolarHBondContact O-N 3.2Å; Y416-L418 PolarHBondContact O-N 3.32Å; Y416-I419 PolarHBondContact O-N 3.48Å; Y416-I419 VanDerWaalsContact O-N 3.16Å; Y416-V420 HydrophobicContact CD1-CG2 3.98Å; Y416-V420 HydrophobicContact CE1-CG2 3.6Å; Y416-V420 WeakPolarHBondContact O-CG2 3.46Å; Y416-V420 PolarHBondContact O-N 2.79Å; Y416-I542 HydrophobicContact CD2-CG1 4.46Å; Y416-I542 HydrophobicContact CD2-CG2 4.37Å; Y416-I542 HydrophobicContact CE2-CG2 3.93Å; Y416-I565 WeakPolarHBondContact OH-CG2 3.39Å
417R77.9Confident73Confident143 Ų14351.8 Ų51.854%0.5429%0.293SS..Hα-helixtrans-60.9-43.5175.7-71-177.4-178.6-178.9-1.2112.2E411 D413 I419 V420 E421E411-R417 PolarHBondContact O-NE 3.05Å; D413-R417 PolarHBondContact O-N 2.97Å; R417-I419 VanDerWaalsContact C-N 3.27Å; R417-I419 PolarHBondContact O-N 2.64Å; R417-V420 PolarHBondContact O-N 3.3Å; R417-E421 WeakPolarHBondContact O-CB 3.44Å; R417-E421 WeakPolarHBondContact O-CG 3.39Å; R417-E421 PolarHBondContact O-N 3.09Å
418L83.2Confident74.6Confident14 Ų1445.4 Ų45.47%0.07326%0.263CS..Hα-helixtrans-59.8-39.2175.2179.762.7000111.6I389 A392 H396 P414 E415 Y416 E421 A422 F534I389-L418 HydrophobicContact CG2-CD1 4.28Å; A392-L418 HydrophobicContact CB-CD1 3.72Å; A392-L418 HydrophobicContact CB-CD2 4.09Å; H396-L418 WeakPolarHBondContact CD2-CD2 3.49Å; P414-L418 WeakPolarHBondContact O-CB 3.04Å; P414-L418 PolarHBondContact O-N 3.31Å; E415-L418 PolarHBondContact O-N 3.45Å; Y416-L418 PolarHBondContact O-N 3.32Å; L418-E421 PolarHBondContact O-N 3.08Å; L418-A422 WeakPolarHBondContact O-CB 3.28Å; L418-A422 PolarHBondContact O-N 3.39Å; L418-F534 HydrophobicContact CD2-CE1 4.22Å; L418-F534 HydrophobicContact CD2-CZ 4.04Å; L418-F534 HydrophobicContact CG-CE1 4.32Å
419I79.3Confident75.8Confident5 Ų542.9 Ų42.93%0.02624%0.237CC..Hα-helixtrans-68.8-40.4178.5-68.2163.4000111.6E415 Y416 R417 A422 N423 F534 V535 R538 I542E415-I419 HydrophobicContact CG-CD1 4.46Å; E415-I419 WeakPolarHBondContact O-CD1 3.46Å; E415-I419 VanDerWaalsContact O-CG1 3.25Å; E415-I419 WeakPolarHBondContact O-CG1 3.41Å; E415-I419 PolarHBondContact O-N 3.19Å; Y416-I419 PolarHBondContact O-N 3.48Å; Y416-I419 VanDerWaalsContact O-N 3.16Å; R417-I419 VanDerWaalsContact C-N 3.27Å; R417-I419 PolarHBondContact O-N 2.64Å; I419-A422 PolarHBondContact O-N 3.01Å; I419-N423 WeakPolarHBondContact O-CB 3.02Å; I419-N423 PolarHBondContact O-N 3.08Å; I419-N423 PolarHBondContact O-ND2 3Å; I419-F534 HydrophobicContact CD1-CE1 4.36Å; I419-F534 HydrophobicContact CG1-CD1 4.32Å; I419-F534 HydrophobicContact CG1-CE1 3.54Å; I419-F534 HydrophobicContact CG1-CZ 4.19Å; I419-V535 HydrophobicContact CG2-CG1 4.47Å; I419-V535 HydrophobicContact CG2-CG2 4.2Å; I419-R538 HydrophobicContact CD1-CB 3.73Å; I419-R538 HydrophobicContact CD1-CG 4.16Å; I419-I542 HydrophobicContact CB-CD1 4.19Å; I419-I542 HydrophobicContact CD1-CD1 3.39Å; I419-I542 HydrophobicContact CD1-CG1 4.32Å; I419-I542 HydrophobicContact CG1-CD1 4.27Å; I419-I542 HydrophobicContact CG2-CD1 3.59Å
420V76.3Confident76.8Confident57 Ų5740.6 Ų40.635%0.34522%0.219SC..Hα-helixtrans-64-44.5174.4175.10000110.7Y416 R417 N423 S424Y416-V420 HydrophobicContact CD1-CG2 3.98Å; Y416-V420 HydrophobicContact CE1-CG2 3.6Å; Y416-V420 WeakPolarHBondContact O-CG2 3.46Å; Y416-V420 PolarHBondContact O-N 2.79Å; R417-V420 PolarHBondContact O-N 3.3Å; V420-N423 PolarHBondContact O-N 3.3Å; V420-S424 PolarHBondContact O-N 3.14Å
421E81.3Confident77.8Confident89 Ų8943 Ų4342%0.41623%0.231SC..Hα-helixtrans-64.1-40.4176-74.3179-165.100112.3I389 R417 L418 S424 L425I389-E421 HydrophobicContact CD1-CB 4.1Å; R417-E421 WeakPolarHBondContact O-CB 3.44Å; R417-E421 WeakPolarHBondContact O-CG 3.39Å; R417-E421 PolarHBondContact O-N 3.09Å; L418-E421 PolarHBondContact O-N 3.08Å; E421-S424 WeakPolarHBondContact O-CB 3.46Å; E421-S424 PolarHBondContact O-N 3.1Å; E421-L425 WeakPolarHBondContact O-CB 3.37Å; E421-L425 PolarHBondContact O-N 3.12Å
422A83.2Confident78.8Confident0 Ų038.6 Ų38.60%021%0.21CC..Hα-helixtrans-65.3-40.6176.200000111.8I389 I393 L418 I419 L425 A426 I531I389-A422 HydrophobicContact CG2-CB 4.26Å; I393-A422 HydrophobicContact CD1-CB 4Å; L418-A422 WeakPolarHBondContact O-CB 3.28Å; L418-A422 PolarHBondContact O-N 3.39Å; I419-A422 PolarHBondContact O-N 3.01Å; A422-L425 WeakPolarHBondContact O-CB 3.27Å; A422-L425 PolarHBondContact O-N 3.13Å; A422-A426 PolarHBondContact O-N 2.87Å; A422-I531 HydrophobicContact CB-CG2 3.92Å; A422-I531 WeakPolarHBondContact O-CG2 3.38Å
423N77.2Confident79.8Confident2 Ų236 Ų361%0.01119%0.192CC..Hα-helixtrans-65.2-41.2173.9-78.7-31.8000112.3I419 V420 L425 A426 A427I419-N423 WeakPolarHBondContact O-CB 3.02Å; I419-N423 PolarHBondContact O-N 3.08Å; I419-N423 PolarHBondContact O-ND2 3Å; V420-N423 PolarHBondContact O-N 3.3Å; N423-L425 VanDerWaalsContact C-N 3.29Å; N423-L425 PolarHBondContact O-N 3.03Å; N423-A426 PolarHBondContact O-N 3.09Å; N423-A427 PolarHBondContact O-N 3.25Å; N423-A427 VanDerWaalsContact O-N 3.16Å
424S78.8Confident80.5Confident45 Ų4539.9 Ų39.932%0.31521%0.211SC..Hα-helixtrans-57.7-45.3171.6175.60000110.7R385 V420 E421 A426 A427 D428R385-S424 PolarHBondContact NH2-OG 3.13Å; V420-S424 PolarHBondContact O-N 3.14Å; E421-S424 WeakPolarHBondContact O-CB 3.46Å; E421-S424 PolarHBondContact O-N 3.1Å; S424-A426 VanDerWaalsContact C-N 3.33Å; S424-A426 PolarHBondContact O-N 3.35Å; S424-A427 PolarHBondContact O-N 2.93Å; S424-D428 PolarHBondContact O-N 3.2Å
425L84.3Confident81Confident0 Ų039.1 Ų39.10%021%0.205CC..Hα-helixtrans-63.4-37.9177.9-168.664.7000112.2L380 F386 I389 E421 A422 N423 A427 D428 I429 I531L380-L425 HydrophobicContact CD1-CD1 4.12Å; L380-L425 HydrophobicContact CD2-CD1 4.4Å; L380-L425 HydrophobicContact CG-CD1 4.44Å; F386-L425 HydrophobicContact CB-CD1 4.36Å; F386-L425 HydrophobicContact CD2-CD1 3.92Å; F386-L425 HydrophobicContact CD2-CD2 3.92Å; F386-L425 HydrophobicContact CD2-CG 4.14Å; I389-L425 HydrophobicContact CB-CD2 3.96Å; I389-L425 HydrophobicContact CD1-CB 4.4Å; I389-L425 HydrophobicContact CD1-CD2 4.12Å; I389-L425 HydrophobicContact CG2-CD2 3.83Å; E421-L425 WeakPolarHBondContact O-CB 3.37Å; E421-L425 PolarHBondContact O-N 3.12Å; A422-L425 WeakPolarHBondContact O-CB 3.27Å; A422-L425 PolarHBondContact O-N 3.13Å; N423-L425 VanDerWaalsContact C-N 3.29Å; N423-L425 PolarHBondContact O-N 3.03Å; L425-A427 VanDerWaalsContact C-N 3.32Å; L425-A427 PolarHBondContact O-N 3.25Å; L425-D428 PolarHBondContact O-N 3.09Å; L425-I429 HydrophobicContact CG-CD1 4.4Å; L425-I429 VanDerWaalsContact O-CG1 3.24Å; L425-I429 WeakPolarHBondContact O-CG1 3.43Å; L425-I429 PolarHBondContact O-N 3.49Å; L425-I531 HydrophobicContact CB-CD1 4.31Å; L425-I531 HydrophobicContact CD2-CD1 4.01Å; L425-I531 HydrophobicContact CG-CD1 4.22Å
426A80.6Confident81.6Confident2 Ų238.5 Ų38.52%0.01720%0.202CC..Hα-helixtrans-62.9-37.4176.300000112.6A422 N423 S424 D430 I531A422-A426 PolarHBondContact O-N 2.87Å; N423-A426 PolarHBondContact O-N 3.09Å; S424-A426 VanDerWaalsContact C-N 3.33Å; S424-A426 PolarHBondContact O-N 3.35Å; A426-D430 PolarHBondContact O-N 3.15Å; A426-I531 HydrophobicContact CB-CG2 4.09Å
427A75.6Confident82.1Confident40 Ų4038.7 Ų38.733%0.33120%0.204SC..Hα-helixtrans-68.6-39.4174.300000112N423 S424 L425 I429 D430 N431N423-A427 PolarHBondContact O-N 3.25Å; N423-A427 VanDerWaalsContact O-N 3.16Å; S424-A427 PolarHBondContact O-N 2.93Å; L425-A427 VanDerWaalsContact C-N 3.32Å; L425-A427 PolarHBondContact O-N 3.25Å; A427-I429 VanDerWaalsContact C-N 3.35Å; A427-D430 PolarHBondContact O-N 3.13Å; A427-N431 PolarHBondContact O-N 3.38Å; A427-N431 VanDerWaalsContact O-N 3.12Å; A427-N431 PolarHBondContact O-ND2 3.12Å
428D82.2Confident82.5Confident53 Ų5337.3 Ų37.328%0.28320%0.202SC..Hα-helixtrans-63.1-41.2174.9-65.8-27.2000111.5L380 R385 S424 L425 D430 N431 E432L380-D428 HydrophobicContact CD1-CB 4.19Å; L380-D428 HydrophobicContact CD2-CB 4.2Å; R385-D428 IonicContact NH1-OD2 3.82Å; S424-D428 PolarHBondContact O-N 3.2Å; L425-D428 PolarHBondContact O-N 3.09Å; D428-D430 VanDerWaalsContact C-N 3.32Å; D428-D430 PolarHBondContact O-N 3.13Å; D428-N431 PolarHBondContact O-N 3.23Å; D428-E432 PolarHBondContact O-N 3.23Å
429I85.9Confident82.8Confident0 Ų037.5 Ų37.50%020%0.202CC..Hα-helixtrans-58.6-43173.7-69.4166.4000111.1L380 F386 L425 A427 E432 I433 L524 A527 K528 I531L380-I429 HydrophobicContact CD2-CB 4.37Å; L380-I429 HydrophobicContact CD2-CG1 3.61Å; F386-I429 HydrophobicContact CE2-CD1 4.04Å; F386-I429 HydrophobicContact CE2-CG1 4.24Å; L425-I429 HydrophobicContact CG-CD1 4.4Å; L425-I429 VanDerWaalsContact O-CG1 3.24Å; L425-I429 WeakPolarHBondContact O-CG1 3.43Å; L425-I429 PolarHBondContact O-N 3.49Å; A427-I429 VanDerWaalsContact C-N 3.35Å; I429-E432 PolarHBondContact O-N 2.65Å; I429-I433 HydrophobicContact CG2-CD1 3.74Å; I429-I433 HydrophobicContact CG2-CG1 4.31Å; I429-I433 VanDerWaalsContact O-CG1 3.26Å; I429-I433 WeakPolarHBondContact O-CG1 3.47Å; I429-I433 PolarHBondContact O-N 3.44Å; I429-L524 HydrophobicContact CG1-CD2 4.3Å; I429-L524 HydrophobicContact CG2-CB 3.96Å; I429-L524 HydrophobicContact CG2-CD2 4.43Å; I429-A527 HydrophobicContact CD1-CB 4.36Å; I429-K528 HydrophobicContact CD1-CB 4.14Å; I429-K528 HydrophobicContact CG2-CB 3.94Å; I429-K528 HydrophobicContact CG2-CD 4.26Å; I429-I531 HydrophobicContact CD1-CD1 3.79Å
430D81.3Confident83.3Confident50 Ų5037.2 Ų37.227%0.26720%0.201SC..Hα-helixtrans-64.6-41.4179-89-35.1000112.9A426 A427 D428 E432 I433 I434 K528A426-D430 PolarHBondContact O-N 3.15Å; A427-D430 PolarHBondContact O-N 3.13Å; D428-D430 VanDerWaalsContact C-N 3.32Å; D428-D430 PolarHBondContact O-N 3.13Å; D430-E432 VanDerWaalsContact C-N 3.33Å; D430-I433 PolarHBondContact O-N 3.04Å; D430-I434 WeakPolarHBondContact O-CG1 3.43Å; D430-I434 PolarHBondContact O-N 3.23Å; D430-K528 IonicContact OD1-NZ 2.88Å; D430-K528 PolarHBondContact OD1-NZ 3.27Å; D430-K528 IonicContact OD2-NZ 3.53Å; D430-K528 PolarHBondContact OD2-NZ 3.34Å
431N82.2Confident83.8Confident98 Ų9837.4 Ų37.452%0.52420%0.195SC..Hα-helixtrans-62.6-43175.3-72-34.7000111.2A427 D428 I434 V435A427-N431 PolarHBondContact O-N 3.38Å; A427-N431 VanDerWaalsContact O-N 3.12Å; A427-N431 PolarHBondContact O-ND2 3.12Å; D428-N431 PolarHBondContact O-N 3.23Å; N431-I434 PolarHBondContact O-N 3.29Å; N431-V435 WeakPolarHBondContact O-CG2 3.49Å; N431-V435 PolarHBondContact O-N 2.99Å; N431-V435 VanDerWaalsContact O-N 3.09Å
432E84.9Confident84.1Confident19 Ų1937.1 Ų37.19%0.08920%0.196CC..Hα-helixtrans-68-39.1178.9-161.9172.9-135.700112.2A378 H379 L380 D428 I429 D430 I434 V435 V436 L524A378-E432 VanDerWaalsContact C-OE1 3.31Å; A378-E432 VanDerWaalsContact CA-OE1 3.27Å; A378-E432 WeakPolarHBondContact CA-OE1 3.46Å; A378-E432 HydrophobicContact CB-CG 3.86Å; A378-E432 VanDerWaalsContact CB-OE1 3.29Å; A378-E432 WeakPolarHBondContact CB-OE1 3.32Å; H379-E432 PolarHBondContact N-OE1 2.86Å; L380-E432 VanDerWaalsContact CB-CD 3.41Å; L380-E432 WeakPolarHBondContact CB-OE1 3.37Å; L380-E432 WeakPolarHBondContact CB-OE2 3.39Å; L380-E432 PolarHBondContact N-OE1 2.88Å; D428-E432 PolarHBondContact O-N 3.23Å; I429-E432 PolarHBondContact O-N 2.65Å; D430-E432 VanDerWaalsContact C-N 3.33Å; E432-I434 PolarHBondContact O-N 3.45Å; E432-V435 PolarHBondContact O-N 2.98Å; E432-V435 VanDerWaalsContact O-N 3.1Å; E432-V436 HydrophobicContact CG-CG2 4.28Å; E432-V436 WeakPolarHBondContact O-CG2 3.32Å; E432-V436 PolarHBondContact O-N 3.47Å; E432-L524 HydrophobicContact CB-CD1 4.29Å; E432-L524 HydrophobicContact CG-CD1 4.1Å; E432-L524 VanDerWaalsContact OE2-CD1 3.29Å; E432-L524 WeakPolarHBondContact OE2-CD1 3.28Å; E432-L524 WeakPolarHBondContact OE2-CD2 3.31Å
433I86.6Confident84.3Confident6 Ų639.1 Ų39.13%0.03121%0.205CC..Hα-helixtrans-55.9-40172.5-72.4166.5000111.1I429 D430 H437 P458 L459 T521 L524I429-I433 HydrophobicContact CG2-CD1 3.74Å; I429-I433 HydrophobicContact CG2-CG1 4.31Å; I429-I433 VanDerWaalsContact O-CG1 3.26Å; I429-I433 WeakPolarHBondContact O-CG1 3.47Å; I429-I433 PolarHBondContact O-N 3.44Å; D430-I433 PolarHBondContact O-N 3.04Å; I433-H437 WeakPolarHBondContact O-CB 3.47Å; I433-H437 PolarHBondContact O-N 3.17Å; I433-P458 HydrophobicContact CG2-CB 4.23Å; I433-L459 HydrophobicContact CD1-CD2 4.34Å; I433-L459 HydrophobicContact CG2-CD2 4.13Å; I433-T521 HydrophobicContact CG1-CG2 4.27Å; I433-T521 HydrophobicContact CG2-CG2 4.14Å; I433-L524 HydrophobicContact CG1-CB 4.28Å; I433-L524 HydrophobicContact CG1-CD1 4.47Å
434I84.9Confident85Confident99 Ų9939 Ų3951%0.50821%0.205SC..Hα-helixtrans-67.3-42.1177.4-66.8166.3000111.3D430 N431 E432 H437 K438D430-I434 WeakPolarHBondContact O-CG1 3.43Å; D430-I434 PolarHBondContact O-N 3.23Å; N431-I434 PolarHBondContact O-N 3.29Å; E432-I434 PolarHBondContact O-N 3.45Å; I434-H437 PolarHBondContact O-N 3.12Å; I434-K438 PolarHBondContact O-N 3.43Å
435V84.6Confident85.5Confident60 Ų6039.2 Ų39.236%0.36421%0.206SC..Hα-helixtrans-62.9-44.6177.7171.70000111V377 N431 E432 K438 F439V377-V435 HydrophobicContact CB-CG1 4.45Å; V377-V435 HydrophobicContact CG1-CG1 3.42Å; V377-V435 VanDerWaalsContact CG1-CG1 3.42Å; N431-V435 WeakPolarHBondContact O-CG2 3.49Å; N431-V435 PolarHBondContact O-N 2.99Å; N431-V435 VanDerWaalsContact O-N 3.09Å; E432-V435 PolarHBondContact O-N 2.98Å; E432-V435 VanDerWaalsContact O-N 3.1Å; V435-K438 WeakPolarHBondContact O-CB 3.38Å; V435-K438 PolarHBondContact O-N 3.48Å; V435-F439 PolarHBondContact O-N 3.02Å; V435-F439 VanDerWaalsContact O-N 3.12Å
436V87.2Confident85.6Confident2 Ų244.1 Ų44.11%0.01223%0.227CC..Hα-helixtrans-69.4-41.5178.7-177.90000111.1V374 A378 E432 K438 F439 V440 A517 M520 T521V374-V436 HydrophobicContact CG1-CG1 4.48Å; A378-V436 HydrophobicContact CB-CG2 3.89Å; E432-V436 HydrophobicContact CG-CG2 4.28Å; E432-V436 WeakPolarHBondContact O-CG2 3.32Å; E432-V436 PolarHBondContact O-N 3.47Å; V436-K438 VanDerWaalsContact C-N 3.27Å; V436-K438 PolarHBondContact O-N 3.23Å; V436-F439 WeakPolarHBondContact O-CB 3.2Å; V436-F439 PolarHBondContact O-N 3.5Å; V436-F439 VanDerWaalsContact O-N 3.09Å; V436-V440 HydrophobicContact CG1-CG2 4.33Å; V436-V440 WeakPolarHBondContact O-CG2 3.14Å; V436-V440 PolarHBondContact O-N 3.3Å; V436-A517 HydrophobicContact CG1-CB 3.92Å; V436-A517 WeakPolarHBondContact CG1-O 3.46Å; V436-M520 HydrophobicContact CB-CE 4.18Å; V436-M520 HydrophobicContact CG1-CE 3.89Å; V436-M520 HydrophobicContact CG2-CE 3.16Å; V436-T521 WeakPolarHBondContact CG1-OG1 3.2Å
437H87.6Confident86.1Confident28 Ų2845.4 Ų45.413%0.1323%0.232CC..Hα-helixtrans-56.9-41.3173.2169.768.8000111.9I433 I434 V440 R441 P458 Y461 V462I433-H437 WeakPolarHBondContact O-CB 3.47Å; I433-H437 PolarHBondContact O-N 3.17Å; I434-H437 PolarHBondContact O-N 3.12Å; H437-V440 PolarHBondContact O-N 3.03Å; H437-R441 VanDerWaalsContact O-CB 3.23Å; H437-R441 WeakPolarHBondContact O-CB 3.28Å; H437-R441 PolarHBondContact O-N 3.32Å; H437-P458 HydrophobicContact CB-CB 3.86Å; H437-Y461 AromaticContact CE1-CD1 3.48Å; H437-Y461 VanDerWaalsContact CE1-CD1 3.48Å; H437-Y461 WeakPolarHBondContact CE1-CD1 3.37Å; H437-Y461 AromaticContact CE1-CG 3.53Å; H437-Y461 AromaticContact ND1-CD1 3.51Å; H437-Y461 AromaticContact ND1-CG 3.9Å; H437-V462 HydrophobicContact CB-CG2 4.49Å
438K86.5Confident86.8Confident115 Ų11543.5 Ų43.550%0.522%0.216SC..Hα-helixtrans-61.5-43.8174.5-173.3-177.7177.3-175.70111.7I434 V435 V436 R441 D442I434-K438 PolarHBondContact O-N 3.43Å; V435-K438 WeakPolarHBondContact O-CB 3.38Å; V435-K438 PolarHBondContact O-N 3.48Å; V436-K438 VanDerWaalsContact C-N 3.27Å; V436-K438 PolarHBondContact O-N 3.23Å; K438-R441 PolarHBondContact O-N 3.12Å; K438-D442 WeakPolarHBondContact O-CB 2.94Å; K438-D442 PolarHBondContact O-N 2.97Å
439F88.5Confident87.1Confident17 Ų1743.8 Ų43.88%0.07522%0.22CC..Hα-helixtrans-60.7-48.5175.1176.2-91.3000112.1V374 V377 V435 V436 R441 D442 K443 A517V374-F439 HydrophobicContact CG2-CD1 4.14Å; V374-F439 HydrophobicContact CG2-CE1 3.62Å; V374-F439 HydrophobicContact CG2-CZ 4.13Å; V377-F439 HydrophobicContact CG2-CD2 4.26Å; V435-F439 PolarHBondContact O-N 3.02Å; V435-F439 VanDerWaalsContact O-N 3.12Å; V436-F439 WeakPolarHBondContact O-CB 3.2Å; V436-F439 PolarHBondContact O-N 3.5Å; V436-F439 VanDerWaalsContact O-N 3.09Å; F439-R441 VanDerWaalsContact C-N 3.33Å; F439-R441 PolarHBondContact O-N 3.32Å; F439-D442 PolarHBondContact O-N 2.85Å; F439-K443 HydrophobicContact CE1-CG 4.26Å; F439-K443 HydrophobicContact CE2-CG 4.32Å; F439-K443 HydrophobicContact CZ-CG 4.12Å; F439-K443 WeakPolarHBondContact O-CG 3.49Å; F439-K443 PolarHBondContact O-N 2.73Å; F439-K443 VanDerWaalsContact O-N 3.1Å; F439-A517 HydrophobicContact CD1-CB 3.92Å; F439-A517 HydrophobicContact CE1-CB 4.12Å
440V90.2Very high87.1Confident0 Ų046.4 Ų46.40%023%0.233CC..Hα-helixtrans-59.2-46.1177.5175.40000110.3V436 H437 K443 Y444 Y461 V462 V465 V514 A517V436-V440 HydrophobicContact CG1-CG2 4.33Å; V436-V440 WeakPolarHBondContact O-CG2 3.14Å; V436-V440 PolarHBondContact O-N 3.3Å; H437-V440 PolarHBondContact O-N 3.03Å; V440-K443 PolarHBondContact O-N 3.05Å; V440-Y444 WeakPolarHBondContact O-CB 3.27Å; V440-Y444 PolarHBondContact O-N 3.35Å; V440-Y461 HydrophobicContact CG1-CD1 4.37Å; V440-Y461 HydrophobicContact CG1-CE1 3.99Å; V440-V462 HydrophobicContact CG2-CG2 4.47Å; V440-V465 HydrophobicContact CG1-CB 4.21Å; V440-V465 HydrophobicContact CG1-CG1 3.92Å; V440-V465 HydrophobicContact CG1-CG2 4.1Å; V440-V514 HydrophobicContact CG1-CG1 4.27Å; V440-A517 HydrophobicContact CG2-CB 3.5Å; V440-A517 VanDerWaalsContact CG2-CB 3.5Å
441R87.4Confident87.4Confident61 Ų6144 Ų4423%0.2322%0.22CC..Hα-helixtrans-61.6-47.9179-177.3-161.166178.8-0.9112.2H437 K438 F439 K443 Y444 S445 E452 Y461H437-R441 VanDerWaalsContact O-CB 3.23Å; H437-R441 WeakPolarHBondContact O-CB 3.28Å; H437-R441 PolarHBondContact O-N 3.32Å; K438-R441 PolarHBondContact O-N 3.12Å; F439-R441 VanDerWaalsContact C-N 3.33Å; F439-R441 PolarHBondContact O-N 3.32Å; R441-K443 VanDerWaalsContact C-N 3.29Å; R441-K443 PolarHBondContact O-N 2.85Å; R441-Y444 PolarHBondContact O-N 3.49Å; R441-S445 VanDerWaalsContact O-CB 3.27Å; R441-S445 WeakPolarHBondContact O-CB 3.33Å; R441-S445 PolarHBondContact O-N 2.99Å; R441-E452 WeakPolarHBondContact CD-OE1 3.39Å; R441-E452 HydrophobicContact CG-CB 4.49Å; R441-E452 HydrophobicContact CG-CG 4.41Å; R441-E452 IonicContact CZ-OE1 3.86Å; R441-E452 IonicContact NE-OE1 2.8Å; R441-E452 IonicContact NH1-OE1 3.74Å; R441-E452 PolarHBondContact NH1-OE1 3.41Å; R441-Y461 HydrophobicContact CB-CE1 4.09Å
442D86.7Confident87.5Confident82 Ų8244 Ų4444%0.43922%0.217SC..Hα-helixtrans-68.1-29.1-176.2-66.9-3.5000112K438 F439 S445K438-D442 WeakPolarHBondContact O-CB 2.94Å; K438-D442 PolarHBondContact O-N 2.97Å; F439-D442 PolarHBondContact O-N 2.85Å; D442-S445 PolarHBondContact O-OG 3.37Å
443K87.2Confident87.3Confident42 Ų4247.3 Ų47.318%0.18324%0.242CC..Hα-helixtrans-82.5-43.6174-65.8-74.3-176.8171.30112.1Y371 D372 F439 V440 R441 V514Y371-K443 PolarHBondContact O-NZ 3.22Å; D372-K443 IonicContact OD1-NZ 3.71Å; F439-K443 HydrophobicContact CE1-CG 4.26Å; F439-K443 HydrophobicContact CE2-CG 4.32Å; F439-K443 HydrophobicContact CZ-CG 4.12Å; F439-K443 WeakPolarHBondContact O-CG 3.49Å; F439-K443 PolarHBondContact O-N 2.73Å; F439-K443 VanDerWaalsContact O-N 3.1Å; V440-K443 PolarHBondContact O-N 3.05Å; R441-K443 VanDerWaalsContact C-N 3.29Å; R441-K443 PolarHBondContact O-N 2.85Å; K443-V514 HydrophobicContact CB-CG2 3.7Å
444Y91.3Very high87.1Confident0 Ų048.1 Ų48.10%025%0.246CC..Hα-helixtrans-78.7-16.3-175.7-159.4-103.9000113.6V440 R441 K446 R447 F448 L451 V465 L468 G469 L506 V514V440-Y444 WeakPolarHBondContact O-CB 3.27Å; V440-Y444 PolarHBondContact O-N 3.35Å; R441-Y444 PolarHBondContact O-N 3.49Å; Y444-K446 PolarHBondContact O-N 2.95Å; Y444-K446 VanDerWaalsContact O-N 3.13Å; Y444-R447 HydrophobicContact CD2-CB 4.37Å; Y444-R447 HydrophobicContact CE2-CB 4.25Å; Y444-R447 HydrophobicContact CE2-CG 4.19Å; Y444-R447 PolarHBondContact O-N 3.32Å; Y444-F448 HydrophobicContact CD1-CB 4.26Å; Y444-F448 HydrophobicContact CE1-CB 3.75Å; Y444-F448 PolarHBondContact O-N 3.46Å; Y444-L451 HydrophobicContact CD1-CD2 4.01Å; Y444-L451 HydrophobicContact CE1-CD2 3.72Å; Y444-V465 HydrophobicContact CD1-CB 4.48Å; Y444-V465 HydrophobicContact CD1-CG1 4.18Å; Y444-V465 HydrophobicContact CD1-CG2 3.61Å; Y444-V465 HydrophobicContact CD2-CG1 3.59Å; Y444-V465 HydrophobicContact CE1-CB 4.48Å; Y444-V465 HydrophobicContact CE1-CG1 4.32Å; Y444-V465 HydrophobicContact CE1-CG2 3.85Å; Y444-V465 HydrophobicContact CE2-CG1 3.77Å; Y444-V465 HydrophobicContact CG-CG1 3.8Å; Y444-V465 HydrophobicContact CG-CG2 3.97Å; Y444-L468 WeakPolarHBondContact OH-CB 3.49Å; Y444-G469 PolarHBondContact OH-O 3.45Å; Y444-L506 HydrophobicContact CD2-CD1 3.88Å; Y444-L506 HydrophobicContact CE2-CD1 4.28Å; Y444-V514 HydrophobicContact CD2-CG1 4.23Å
445S89Confident87.1Confident49 Ų4943.5 Ų43.534%0.34322%0.223SC..THydrogen-bonded Turntrans-58.7-24.1173.666.90000113.2R441 D442 R447 P449R441-S445 VanDerWaalsContact O-CB 3.27Å; R441-S445 WeakPolarHBondContact O-CB 3.33Å; R441-S445 PolarHBondContact O-N 2.99Å; D442-S445 PolarHBondContact O-OG 3.37Å; S445-R447 VanDerWaalsContact C-N 3.3Å; S445-P449 WeakPolarHBondContact O-CB 3.21Å; S445-P449 WeakPolarHBondContact O-CD 3.46Å
446K88.3Confident86.8Confident103 Ų10343.3 Ų43.345%0.44822%0.223SC..THydrogen-bonded Turntrans-62.9-37.1171.8-63.7-176-178.9-174.40112Y444 G503 E504 L506 E510Y444-K446 PolarHBondContact O-N 2.95Å; Y444-K446 VanDerWaalsContact O-N 3.13Å; K446-G503 CarbonylContact O-C 3.54Å; K446-G503 WeakPolarHBondContact O-CA 3.34Å; K446-E504 PolarHBondContact O-N 2.79Å; K446-L506 HydrophobicContact CB-CD2 3.96Å; K446-L506 HydrophobicContact CD-CD2 4.14Å; K446-E510 IonicContact NZ-OE1 3.14Å; K446-E510 PolarHBondContact NZ-OE1 3Å
447R90.5Very high86.5Confident30 Ų3045 Ų4511%0.11323%0.231CC..THydrogen-bonded Turntrans-89.9-44.7-175.1-178.755.6-169.2131.3-5.1113.7Y444 S445 N470 I472 G503 E504 L506Y444-R447 HydrophobicContact CD2-CB 4.37Å; Y444-R447 HydrophobicContact CE2-CB 4.25Å; Y444-R447 HydrophobicContact CE2-CG 4.19Å; Y444-R447 PolarHBondContact O-N 3.32Å; S445-R447 VanDerWaalsContact C-N 3.3Å; R447-N470 PolarHBondContact NE-O 3.37Å; R447-N470 PolarHBondContact NH2-O 2.84Å; R447-I472 HydrophobicContact CG-CD1 3.98Å; R447-I472 HydrophobicContact CG-CG1 4.42Å; R447-G503 PolarHBondContact NH1-O 2.93Å; R447-G503 WeakPolarHBondContact O-CA 3.36Å; R447-E504 VanDerWaalsContact CA-O 3.3Å; R447-E504 WeakPolarHBondContact CA-O 3.41Å; R447-E504 WeakPolarHBondContact CD-O 3.31Å; R447-L506 HydrophobicContact CB-CD1 3.99Å; R447-L506 HydrophobicContact CB-CG 3.98Å
448F90.9Very high86.4Confident0 Ų045.5 Ų45.50%024%0.236CC..  trans-141.478-178.1-161.5179.5000111.1Y444 E450 L451 L454 L468 I472 I494 T497 A498 T501Y444-F448 HydrophobicContact CD1-CB 4.26Å; Y444-F448 HydrophobicContact CE1-CB 3.75Å; Y444-F448 PolarHBondContact O-N 3.46Å; F448-E450 HydrophobicContact CD2-CB 4.26Å; F448-E450 WeakPolarHBondContact CD2-OE2 3.5Å; F448-E450 HydrophobicContact CE2-CB 3.94Å; F448-E450 WeakPolarHBondContact CE2-OE2 3.16Å; F448-E450 PolarHBondContact O-N 3.14Å; F448-L451 HydrophobicContact CB-CB 4.26Å; F448-L451 HydrophobicContact CD1-CB 3.92Å; F448-L451 HydrophobicContact CD1-CD1 4.17Å; F448-L451 HydrophobicContact CD1-CD2 4.32Å; F448-L451 HydrophobicContact CD1-CG 4.37Å; F448-L451 HydrophobicContact CD2-CB 4.45Å; F448-L451 HydrophobicContact CE1-CB 4.42Å; F448-L451 HydrophobicContact CE1-CD1 4.09Å; F448-L451 HydrophobicContact CG-CB 3.94Å; F448-L451 WeakPolarHBondContact O-CB 3.46Å; F448-L451 PolarHBondContact O-N 3Å; F448-L454 HydrophobicContact CZ-CD1 4.49Å; F448-L468 HydrophobicContact CD1-CD1 4.07Å; F448-L468 HydrophobicContact CE1-CD1 4.17Å; F448-I472 HydrophobicContact CB-CD1 3.95Å; F448-I472 HydrophobicContact CD1-CD1 4.09Å; F448-I472 HydrophobicContact CD1-CG2 3.93Å; F448-I472 HydrophobicContact CE1-CG2 3.82Å; F448-I472 HydrophobicContact CG-CD1 4.04Å; F448-I494 HydrophobicContact CE1-CG2 4.07Å; F448-I494 HydrophobicContact CZ-CG2 4.47Å; F448-T497 HydrophobicContact CE2-CG2 4.08Å; F448-T497 HydrophobicContact CZ-CG2 4.45Å; F448-A498 HydrophobicContact CE1-CB 4.46Å; F448-A498 HydrophobicContact CZ-CB 4.22Å; F448-T501 HydrophobicContact CD2-CG2 4.42Å
449P87Confident86.4Confident58 Ų5843 Ų4338%0.37723%0.228SC..THydrogen-bonded Turntrans-63.3-28.9-173.923.2-31.8000113.2S445 L451S445-P449 WeakPolarHBondContact O-CB 3.21Å; S445-P449 WeakPolarHBondContact O-CD 3.46Å; P449-L451 VanDerWaalsContact C-N 3.29Å; P449-L451 PolarHBondContact O-N 2.66Å
450E86.6Confident86.4Confident55 Ų5545.8 Ų45.826%0.25724%0.242SC..THydrogen-bonded Turntrans-72.5-22.2-179.1-58.284.6175.600112.9F448 E452 S453 L454 T497 T501F448-E450 HydrophobicContact CD2-CB 4.26Å; F448-E450 WeakPolarHBondContact CD2-OE2 3.5Å; F448-E450 HydrophobicContact CE2-CB 3.94Å; F448-E450 WeakPolarHBondContact CE2-OE2 3.16Å; F448-E450 PolarHBondContact O-N 3.14Å; E450-E452 PolarHBondContact O-N 2.84Å; E450-S453 PolarHBondContact O-N 2.86Å; E450-S453 PolarHBondContact O-OG 3.41Å; E450-L454 WeakPolarHBondContact O-CG 3.39Å; E450-L454 PolarHBondContact O-N 3.44Å; E450-T497 HydrophobicContact CB-CG2 3.63Å; E450-T497 HydrophobicContact CG-CG2 3.76Å; E450-T501 WeakPolarHBondContact OE2-CB 3.21Å; E450-T501 PolarHBondContact OE2-OG1 3.32Å
451L87.8Confident86.4Confident0 Ų045.9 Ų45.90%024%0.242CC..Hα-helixtrans-59.1-34-173.3-170.365.2000112.8Y444 F448 P449 S453 L454 V455 Y461 V465 L468 I494Y444-L451 HydrophobicContact CD1-CD2 4.01Å; Y444-L451 HydrophobicContact CE1-CD2 3.72Å; F448-L451 HydrophobicContact CB-CB 4.26Å; F448-L451 HydrophobicContact CD1-CB 3.92Å; F448-L451 HydrophobicContact CD1-CD1 4.17Å; F448-L451 HydrophobicContact CD1-CD2 4.32Å; F448-L451 HydrophobicContact CD1-CG 4.37Å; F448-L451 HydrophobicContact CD2-CB 4.45Å; F448-L451 HydrophobicContact CE1-CB 4.42Å; F448-L451 HydrophobicContact CE1-CD1 4.09Å; F448-L451 HydrophobicContact CG-CB 3.94Å; F448-L451 WeakPolarHBondContact O-CB 3.46Å; F448-L451 PolarHBondContact O-N 3Å; P449-L451 VanDerWaalsContact C-N 3.29Å; P449-L451 PolarHBondContact O-N 2.66Å; L451-S453 PolarHBondContact O-N 2.58Å; L451-L454 PolarHBondContact O-N 2.93Å; L451-L454 VanDerWaalsContact O-N 3.12Å; L451-V455 HydrophobicContact CD1-CG2 4.02Å; L451-V455 PolarHBondContact O-N 2.82Å; L451-Y461 HydrophobicContact CB-CE2 3.96Å; L451-Y461 HydrophobicContact CD2-CD2 4.26Å; L451-Y461 HydrophobicContact CD2-CE2 3.79Å; L451-Y461 HydrophobicContact CG-CD2 4.03Å; L451-Y461 HydrophobicContact CG-CE2 3.61Å; L451-V465 HydrophobicContact CD2-CG2 3.7Å; L451-L468 HydrophobicContact CD1-CD1 4.39Å; L451-L468 HydrophobicContact CD2-CD1 4.32Å; L451-I494 HydrophobicContact CD1-CD1 4.3Å; L451-I494 HydrophobicContact CD1-CG1 4.42Å
452E83.6Confident86.6Confident98 Ų9843 Ų4346%0.45823%0.231SC..Hα-helixtrans-57-39.8176.6176.7-177.8-162.600111.4R441 E450R441-E452 WeakPolarHBondContact CD-OE1 3.39Å; R441-E452 HydrophobicContact CG-CB 4.49Å; R441-E452 HydrophobicContact CG-CG 4.41Å; R441-E452 IonicContact CZ-OE1 3.86Å; R441-E452 IonicContact NE-OE1 2.8Å; R441-E452 IonicContact NH1-OE1 3.74Å; R441-E452 PolarHBondContact NH1-OE1 3.41Å; E450-E452 PolarHBondContact O-N 2.84Å
453S80.7Confident86.7Confident88 Ų8839.9 Ų39.962%0.61522%0.217SC*.Hα-helixtrans-77.7-24.5-179.272.10000113.1E450 L451E450-S453 PolarHBondContact O-N 2.86Å; E450-S453 PolarHBondContact O-OG 3.41Å; L451-S453 PolarHBondContact O-N 2.58Å
454L83.7Confident86.8Confident23 Ų2337.9 Ų37.912%0.1221%0.208CC..Hα-helixtrans-86.6-37.1-177-61.8-178000112.3F448 E450 L451 V493 I494 T497F448-L454 HydrophobicContact CZ-CD1 4.49Å; E450-L454 WeakPolarHBondContact O-CG 3.39Å; E450-L454 PolarHBondContact O-N 3.44Å; L451-L454 PolarHBondContact O-N 2.93Å; L451-L454 VanDerWaalsContact O-N 3.12Å; L454-V493 HydrophobicContact CD1-CG1 4.39Å; L454-V493 HydrophobicContact CD2-CG1 3.48Å; L454-V493 VanDerWaalsContact CD2-CG1 3.48Å; L454-I494 HydrophobicContact CB-CG1 4.34Å; L454-I494 HydrophobicContact CD1-CG1 3.91Å; L454-T497 HydrophobicContact CD1-CG2 4.21Å
455V83.7Confident86.7Confident2 Ų238 Ų381%0.01221%0.208CC..  trans-125.393.9-175.8-172.80000110L451 E460 Y461 L486 T490 I494L451-V455 HydrophobicContact CD1-CG2 4.02Å; L451-V455 PolarHBondContact O-N 2.82Å; V455-E460 HydrophobicContact CG1-CB 3.66Å; V455-Y461 HydrophobicContact CB-CD2 4.23Å; V455-Y461 WeakPolarHBondContact O-CD2 3.31Å; V455-L486 HydrophobicContact CG1-CD2 4.14Å; V455-L486 HydrophobicContact CG2-CD1 4.12Å; V455-L486 HydrophobicContact CG2-CD2 4.4Å; V455-T490 HydrophobicContact CG2-CG2 4.38Å; V455-I494 HydrophobicContact CG2-CD1 3.82Å
456P77.9Confident86.8Confident56 Ų5638.5 Ų38.536%0.36421%0.205SC..  trans-83.5-16.3-174.932.1-36000114.3A585P456-A585 HydrophobicContact CG-CB 4.24Å
457M80.8Confident86.7Confident39 Ų3936.5 Ų36.519%0.19220%0.197CC..SBendtrans-82.6125.5-178.2-68.2-63.592.700110.5L459 E460 Y461 H582 K583M457-L459 PolarHBondContact O-N 2.9Å; M457-E460 HydrophobicContact CB-CB 3.99Å; M457-E460 HydrophobicContact CB-CG 3.9Å; M457-E460 PolarHBondContact O-N 3.44Å; M457-Y461 WeakPolarHBondContact O-CB 3.38Å; M457-Y461 PolarHBondContact O-N 3.03Å; M457-H582 HydrophobicContact SD-CB 4.28Å; M457-K583 WeakPolarHBondContact CE-O 3.06Å
458P85.7Confident86.6Confident37 Ų3735.1 Ų35.124%0.2419%0.192CC..Hα-helixtrans-54.8-46-174.5-30.536.3000114.4I433 H437 Y461 V462I433-P458 HydrophobicContact CG2-CB 4.23Å; H437-P458 HydrophobicContact CB-CB 3.86Å; P458-Y461 PolarHBondContact O-N 3.45Å; P458-V462 WeakPolarHBondContact O-CB 3.44Å; P458-V462 WeakPolarHBondContact O-CG2 3.45Å; P458-V462 PolarHBondContact O-N 2.84Å
459L87.2Confident86.5Confident62 Ų6235.3 Ų35.333%0.32519%0.194SC..Hα-helixtrans-67.7-43-179.7-69.5174.1000112.4I433 M457 Y461 A463 T521 N525I433-L459 HydrophobicContact CD1-CD2 4.34Å; I433-L459 HydrophobicContact CG2-CD2 4.13Å; M457-L459 PolarHBondContact O-N 2.9Å; L459-Y461 VanDerWaalsContact C-N 3.33Å; L459-A463 VanDerWaalsContact O-CB 3.31Å; L459-A463 WeakPolarHBondContact O-CB 3.2Å; L459-A463 PolarHBondContact O-N 3.12Å; L459-T521 HydrophobicContact CD2-CG2 4.02Å; L459-N525 HydrophobicContact CD2-CB 4.05Å
460E88Confident86.4Confident77 Ų7734.3 Ų34.336%0.3619%0.185SC..Hα-helixtrans-66.4-38.2177.2-64.6176.8-17800111V455 M457 C464 L486V455-E460 HydrophobicContact CG1-CB 3.66Å; M457-E460 HydrophobicContact CB-CB 3.99Å; M457-E460 HydrophobicContact CB-CG 3.9Å; M457-E460 PolarHBondContact O-N 3.44Å; E460-C464 WeakPolarHBondContact O-CB 3.46Å; E460-C464 PolarHBondContact O-N 3.45Å; E460-L486 HydrophobicContact CB-CD2 3.88Å; E460-L486 HydrophobicContact CG-CD2 4.31Å
461Y90.6Very high86.3Confident2 Ų235.5 Ų35.51%0.00819%0.194CC..Hα-helixtrans-63.5-50.2177-176.7-89.6000110.8H437 V440 R441 L451 V455 M457 P458 L459 A463 C464 V465H437-Y461 AromaticContact CE1-CD1 3.48Å; H437-Y461 VanDerWaalsContact CE1-CD1 3.48Å; H437-Y461 WeakPolarHBondContact CE1-CD1 3.37Å; H437-Y461 AromaticContact CE1-CG 3.53Å; H437-Y461 AromaticContact ND1-CD1 3.51Å; H437-Y461 AromaticContact ND1-CG 3.9Å; V440-Y461 HydrophobicContact CG1-CD1 4.37Å; V440-Y461 HydrophobicContact CG1-CE1 3.99Å; R441-Y461 HydrophobicContact CB-CE1 4.09Å; L451-Y461 HydrophobicContact CB-CE2 3.96Å; L451-Y461 HydrophobicContact CD2-CD2 4.26Å; L451-Y461 HydrophobicContact CD2-CE2 3.79Å; L451-Y461 HydrophobicContact CG-CD2 4.03Å; L451-Y461 HydrophobicContact CG-CE2 3.61Å; V455-Y461 HydrophobicContact CB-CD2 4.23Å; V455-Y461 WeakPolarHBondContact O-CD2 3.31Å; M457-Y461 WeakPolarHBondContact O-CB 3.38Å; M457-Y461 PolarHBondContact O-N 3.03Å; P458-Y461 PolarHBondContact O-N 3.45Å; L459-Y461 VanDerWaalsContact C-N 3.33Å; Y461-A463 PolarHBondContact O-N 2.73Å; Y461-C464 WeakPolarHBondContact O-CB 3.4Å; Y461-C464 PolarHBondContact O-N 3.39Å; Y461-C464 VanDerWaalsContact O-N 3.17Å; Y461-V465 HydrophobicContact CD1-CG2 3.92Å; Y461-V465 HydrophobicContact CE1-CG2 3.63Å; Y461-V465 VanDerWaalsContact O-CG2 3.29Å; Y461-V465 WeakPolarHBondContact O-CG2 3.49Å; Y461-V465 PolarHBondContact O-N 3.03Å
462V90.7Very high86Confident0 Ų035.5 Ų35.50%019%0.194CC..Hα-helixtrans-62.1-43.8179172.10000111.3H437 V440 P458 C464 V465 K466 C518 T521H437-V462 HydrophobicContact CB-CG2 4.49Å; V440-V462 HydrophobicContact CG2-CG2 4.47Å; P458-V462 WeakPolarHBondContact O-CB 3.44Å; P458-V462 WeakPolarHBondContact O-CG2 3.45Å; P458-V462 PolarHBondContact O-N 2.84Å; V462-C464 VanDerWaalsContact C-N 3.31Å; V462-C464 PolarHBondContact O-N 3.19Å; V462-V465 PolarHBondContact O-N 3.41Å; V462-K466 WeakPolarHBondContact O-CB 3.23Å; V462-K466 PolarHBondContact O-N 3.33Å; V462-C518 HydrophobicContact CG1-CB 3.79Å; V462-T521 HydrophobicContact CB-CG2 4.36Å; V462-T521 HydrophobicContact CG1-CG2 4.07Å; V462-T521 HydrophobicContact CG2-CG2 4.2Å
463A89.2Confident85.6Confident17 Ų1735 Ų3514%0.1419%0.194CC..Hα-helixtrans-62.4-38.817500000112L459 Y461 K466 E467 I485L459-A463 VanDerWaalsContact O-CB 3.31Å; L459-A463 WeakPolarHBondContact O-CB 3.2Å; L459-A463 PolarHBondContact O-N 3.12Å; Y461-A463 PolarHBondContact O-N 2.73Å; A463-K466 PolarHBondContact O-N 2.84Å; A463-E467 PolarHBondContact O-N 2.84Å; A463-E467 VanDerWaalsContact O-N 3.12Å; A463-I485 HydrophobicContact CB-CD1 4Å; A463-I485 HydrophobicContact CB-CG1 4.35Å; A463-I485 HydrophobicContact CB-CG2 3.79Å
464C88.9Confident85.5Confident0 Ų035.9 Ų35.90%019%0.188CC..Hα-helixtrans-67.2-43.1176.3-170.70000112.8E460 Y461 V462 K466 E467 L468 M482 L486E460-C464 WeakPolarHBondContact O-CB 3.46Å; E460-C464 PolarHBondContact O-N 3.45Å; Y461-C464 WeakPolarHBondContact O-CB 3.4Å; Y461-C464 PolarHBondContact O-N 3.39Å; Y461-C464 VanDerWaalsContact O-N 3.17Å; V462-C464 VanDerWaalsContact C-N 3.31Å; V462-C464 PolarHBondContact O-N 3.19Å; C464-K466 VanDerWaalsContact C-N 3.33Å; C464-K466 PolarHBondContact O-N 3.22Å; C464-E467 PolarHBondContact O-N 3.21Å; C464-L468 WeakPolarHBondContact O-CB 3.49Å; C464-L468 VanDerWaalsContact O-CG 3.31Å; C464-L468 WeakPolarHBondContact O-CG 3.44Å; C464-L468 PolarHBondContact O-N 2.89Å; C464-L468 VanDerWaalsContact SG-CD1 3.57Å; C464-M482 HydrophobicContact CB-CE 4.39Å; C464-L486 HydrophobicContact CB-CD1 4.43Å
465V90.6Very high85.2Confident1 Ų139 Ų391%0.00620%0.2CC..Hα-helixtrans-60.9-43.1175.4170.20000111.2V440 Y444 L451 Y461 V462 E467 L468 G469 V514V440-V465 HydrophobicContact CG1-CB 4.21Å; V440-V465 HydrophobicContact CG1-CG1 3.92Å; V440-V465 HydrophobicContact CG1-CG2 4.1Å; Y444-V465 HydrophobicContact CD1-CB 4.48Å; Y444-V465 HydrophobicContact CD1-CG1 4.18Å; Y444-V465 HydrophobicContact CD1-CG2 3.61Å; Y444-V465 HydrophobicContact CD2-CG1 3.59Å; Y444-V465 HydrophobicContact CE1-CB 4.48Å; Y444-V465 HydrophobicContact CE1-CG1 4.32Å; Y444-V465 HydrophobicContact CE1-CG2 3.85Å; Y444-V465 HydrophobicContact CE2-CG1 3.77Å; Y444-V465 HydrophobicContact CG-CG1 3.8Å; Y444-V465 HydrophobicContact CG-CG2 3.97Å; L451-V465 HydrophobicContact CD2-CG2 3.7Å; Y461-V465 HydrophobicContact CD1-CG2 3.92Å; Y461-V465 HydrophobicContact CE1-CG2 3.63Å; Y461-V465 VanDerWaalsContact O-CG2 3.29Å; Y461-V465 WeakPolarHBondContact O-CG2 3.49Å; Y461-V465 PolarHBondContact O-N 3.03Å; V462-V465 PolarHBondContact O-N 3.41Å; V465-E467 PolarHBondContact O-N 2.93Å; V465-L468 PolarHBondContact O-N 2.95Å; V465-G469 PolarHBondContact O-N 3.23Å; V465-V514 HydrophobicContact CG1-CG1 3.53Å
466K90.2Very high84.7Confident60 Ų6039 Ų3926%0.26120%0.201SC..Hα-helixtrans-60.9-42.8177.2-176.1174.5174.7170.30112.5V462 A463 C464 M515 C518 D519 L522V462-K466 WeakPolarHBondContact O-CB 3.23Å; V462-K466 PolarHBondContact O-N 3.33Å; A463-K466 PolarHBondContact O-N 2.84Å; C464-K466 VanDerWaalsContact C-N 3.33Å; C464-K466 PolarHBondContact O-N 3.22Å; K466-M515 HydrophobicContact CG-CE 4.06Å; K466-M515 HydrophobicContact CG-SD 4.47Å; K466-C518 HydrophobicContact CB-CB 4.06Å; K466-C518 HydrophobicContact CD-CB 4.34Å; K466-C518 HydrophobicContact CG-CB 4.43Å; K466-D519 WeakPolarHBondContact CE-OD1 3.3Å; K466-D519 IonicContact NZ-OD1 3.78Å; K466-D519 PolarHBondContact NZ-OD1 3.49Å; K466-L522 HydrophobicContact CD-CD1 3.69Å
467E87.4Confident84.2Confident61 Ų6142.5 Ų42.529%0.28521%0.211SC..Hα-helixtrans-69.7-48.6176.9-70.8-58.7134.200111.4A463 C464 V465 K475 H481 M482 I485A463-E467 PolarHBondContact O-N 2.84Å; A463-E467 VanDerWaalsContact O-N 3.12Å; C464-E467 PolarHBondContact O-N 3.21Å; V465-E467 PolarHBondContact O-N 2.93Å; E467-K475 WeakPolarHBondContact O-CD 3.31Å; E467-K475 WeakPolarHBondContact O-CE 3.37Å; E467-K475 PolarHBondContact O-NZ 2.88Å; E467-H481 IonicContact OE2-ND1 3.46Å; E467-H481 PolarHBondContact OE2-ND1 3.1Å; E467-M482 HydrophobicContact CB-CE 3.87Å; E467-M482 HydrophobicContact CB-SD 4.29Å; E467-M482 HydrophobicContact CG-CE 3.96Å; E467-I485 HydrophobicContact CG-CD1 3.82Å
468L87.5Confident83.6Confident1 Ų146.3 Ų46.31%0.00523%0.232CC..Hα-helixtrans-67.2-44.6-175.6-69.5173.6000113.6Y444 F448 L451 C464 V465 D471 I472 K475 A476Y444-L468 WeakPolarHBondContact OH-CB 3.49Å; F448-L468 HydrophobicContact CD1-CD1 4.07Å; F448-L468 HydrophobicContact CE1-CD1 4.17Å; L451-L468 HydrophobicContact CD1-CD1 4.39Å; L451-L468 HydrophobicContact CD2-CD1 4.32Å; C464-L468 WeakPolarHBondContact O-CB 3.49Å; C464-L468 VanDerWaalsContact O-CG 3.31Å; C464-L468 WeakPolarHBondContact O-CG 3.44Å; C464-L468 PolarHBondContact O-N 2.89Å; C464-L468 VanDerWaalsContact SG-CD1 3.57Å; V465-L468 PolarHBondContact O-N 2.95Å; L468-D471 CarbonylContact O-C 3.35Å; L468-D471 PolarHBondContact O-N 3.45Å; L468-I472 HydrophobicContact CD1-CG2 4.49Å; L468-I472 HydrophobicContact CD2-CG2 4.13Å; L468-K475 HydrophobicContact CD2-CB 4.49Å; L468-A476 HydrophobicContact CD2-CB 4.24Å
469G88.3Confident82.7Confident5 Ų548 Ų485%0.05224%0.239CC..THydrogen-bonded Turntrans52.5-138.6-175.600000113Y444 V465Y444-G469 PolarHBondContact OH-O 3.45Å; V465-G469 PolarHBondContact O-N 3.23Å
470N85.3Confident82.3Confident36 Ų3652.5 Ų52.519%0.19326%0.258CS..THydrogen-bonded Turntrans-82.8-24176-96.7-18.3000113.7R447 I472 L505 L506 L511R447-N470 PolarHBondContact NE-O 3.37Å; R447-N470 PolarHBondContact NH2-O 2.84Å; N470-I472 PolarHBondContact O-N 3.12Å; N470-L505 HydrophobicContact CB-CD2 4.47Å; N470-L506 PolarHBondContact ND2-O 3.11Å; N470-L506 WeakPolarHBondContact OD1-CB 3.3Å; N470-L506 PolarHBondContact OD1-N 3.43Å; N470-L511 HydrophobicContact CB-CD2 4.34Å
471D84.1Confident81.8Confident80 Ų8054.5 Ų54.543%0.42827%0.267SS..  trans-9772.2-176-169.62.4000112L468 E474 K475L468-D471 CarbonylContact O-C 3.35Å; L468-D471 PolarHBondContact O-N 3.45Å; D471-E474 PolarHBondContact OD1-N 3.45Å; D471-K475 WeakPolarHBondContact O-CB 3.42Å; D471-K475 WeakPolarHBondContact O-CG 3.46Å; D471-K475 PolarHBondContact O-N 3.34Å
472I82.3Confident81.3Confident1 Ų154.8 Ų54.81%0.00527%0.269CS..Hα-helixtrans-66.2-39.5-175.5-45.5172.1000111.3R447 F448 L468 N470 A476 A498 T501R447-I472 HydrophobicContact CG-CD1 3.98Å; R447-I472 HydrophobicContact CG-CG1 4.42Å; F448-I472 HydrophobicContact CB-CD1 3.95Å; F448-I472 HydrophobicContact CD1-CD1 4.09Å; F448-I472 HydrophobicContact CD1-CG2 3.93Å; F448-I472 HydrophobicContact CE1-CG2 3.82Å; F448-I472 HydrophobicContact CG-CD1 4.04Å; L468-I472 HydrophobicContact CD1-CG2 4.49Å; L468-I472 HydrophobicContact CD2-CG2 4.13Å; N470-I472 PolarHBondContact O-N 3.12Å; I472-A476 WeakPolarHBondContact O-CB 3.43Å; I472-A476 PolarHBondContact O-N 2.98Å; I472-A498 HydrophobicContact CG2-CB 3.47Å; I472-A498 VanDerWaalsContact CG2-CB 3.47Å; I472-T501 HydrophobicContact CD1-CG2 4.34Å
473L75.8Confident80.8Confident88 Ų8859.4 Ų59.446%0.46129%0.291SS..Hα-helixtrans-70.2-43.6-169.9-90.9154.1000113.3K477L473-K477 WeakPolarHBondContact O-CD 3.41Å; L473-K477 WeakPolarHBondContact O-CE 3.5Å; L473-K477 WeakPolarHBondContact O-CG 3.4Å
474E77Confident80.5Confident106 Ų10663.4 Ų63.450%0.49532%0.318SS..Hα-helixtrans-79.5-39.1-179.8-68.1-58.1120.900111.2D471 K477 N478D471-E474 PolarHBondContact OD1-N 3.45Å; E474-K477 PolarHBondContact O-N 2.66Å; E474-K477 IonicContact OE1-NZ 3.25Å; E474-K477 PolarHBondContact OE1-NZ 2.82Å; E474-N478 PolarHBondContact O-N 3.39Å
475K79Confident80.2Confident87 Ų8765.8 Ų65.838%0.37833%0.329SS..Hα-helixtrans-74-30.1-179.7-63.4-164.5-175.9178.90113.8E467 L468 D471 K477 N478E467-K475 WeakPolarHBondContact O-CD 3.31Å; E467-K475 WeakPolarHBondContact O-CE 3.37Å; E467-K475 PolarHBondContact O-NZ 2.88Å; L468-K475 HydrophobicContact CD2-CB 4.49Å; D471-K475 WeakPolarHBondContact O-CB 3.42Å; D471-K475 WeakPolarHBondContact O-CG 3.46Å; D471-K475 PolarHBondContact O-N 3.34Å; K475-K477 PolarHBondContact O-N 3.44Å; K475-N478 PolarHBondContact O-N 2.9Å; K475-N478 VanDerWaalsContact O-N 3.08Å
476A71.5Confident79.8Confident4 Ų466.1 Ų66.13%0.03333%0.331CS..THydrogen-bonded Turntrans-71.9-15.117300000113.6L468 I472 S495 A498L468-A476 HydrophobicContact CD2-CB 4.24Å; I472-A476 WeakPolarHBondContact O-CB 3.43Å; I472-A476 PolarHBondContact O-N 2.98Å; A476-S495 PolarHBondContact O-OG 3.17Å; A476-A498 HydrophobicContact CB-CB 4.16Å
477K69.5Low79.4Confident129 Ų12969.4 Ų69.456%0.56135%0.351SS*.THydrogen-bonded Turntrans-83-22.4168.6-65.8168.4-168.2165.90111.7L473 E474 K475 N479L473-K477 WeakPolarHBondContact O-CD 3.41Å; L473-K477 WeakPolarHBondContact O-CE 3.5Å; L473-K477 WeakPolarHBondContact O-CG 3.4Å; E474-K477 PolarHBondContact O-N 2.66Å; E474-K477 IonicContact OE1-NZ 3.25Å; E474-K477 PolarHBondContact OE1-NZ 2.82Å; K475-K477 PolarHBondContact O-N 3.44Å; K477-N479 PolarHBondContact O-N 2.99Å
478N67.1Low79.1Confident119 Ų11970 Ų7064%0.63636%0.36SS*.  trans-83.684.6-177.2-129.6-0.7000110.3E474 K475 E480E474-N478 PolarHBondContact O-N 3.39Å; K475-N478 PolarHBondContact O-N 2.9Å; K475-N478 VanDerWaalsContact O-N 3.08Å; N478-E480 PolarHBondContact O-N 3.44Å
479N67.6Low78.8Confident72 Ų7272.9 Ų72.939%0.38538%0.384SS..Hα-helixtrans-67.1-27.1-165.6-93.3-34.3000115.4K477 M482 Q483 V491K477-N479 PolarHBondContact O-N 2.99Å; N479-M482 PolarHBondContact O-N 2.75Å; N479-Q483 VanDerWaalsContact O-CB 3.3Å; N479-Q483 WeakPolarHBondContact O-CB 3.46Å; N479-Q483 WeakPolarHBondContact O-CG 3.42Å; N479-Q483 PolarHBondContact O-N 3.24Å; N479-V491 WeakPolarHBondContact OD1-CG1 3.36Å
480E78.2Confident78.5Confident157 Ų15773.5 Ų73.573%0.73439%0.387SS*.Hα-helixtrans-66.5-49-166.7-67.6-174.4168.900113.2N478N478-E480 PolarHBondContact O-N 3.44Å
481H77.9Confident78.4Confident118 Ų11872 Ų7255%0.54638%0.379SS..Hα-helixtrans-70.5-37.3-179.5-70.1-167.7000111.4E467 S484E467-H481 IonicContact OE2-ND1 3.46Å; E467-H481 PolarHBondContact OE2-ND1 3.1Å; H481-S484 WeakPolarHBondContact O-CB 3.47Å; H481-S484 PolarHBondContact O-N 2.98Å; H481-S484 PolarHBondContact O-OG 2.87Å
482M78.6Confident78.3Confident9 Ų973.3 Ų73.34%0.04439%0.385CS..Hα-helixtrans-70.3-33.5-179.7-73.2-82.866.400113.7C464 E467 N479 S484 I485 L486 V491C464-M482 HydrophobicContact CB-CE 4.39Å; E467-M482 HydrophobicContact CB-CE 3.87Å; E467-M482 HydrophobicContact CB-SD 4.29Å; E467-M482 HydrophobicContact CG-CE 3.96Å; N479-M482 PolarHBondContact O-N 2.75Å; M482-S484 PolarHBondContact O-N 2.77Å; M482-I485 HydrophobicContact CE-CB 4.22Å; M482-I485 HydrophobicContact CE-CD1 3.51Å; M482-I485 HydrophobicContact CE-CG1 4.42Å; M482-I485 PolarHBondContact O-N 3.44Å; M482-L486 PolarHBondContact O-N 2.85Å; M482-V491 HydrophobicContact CB-CG1 4.27Å; M482-V491 HydrophobicContact CB-CG2 4.13Å
483Q81.2Confident78.4Confident97 Ų9775.6 Ų75.645%0.45340%0.399SS..Hα-helixtrans-69.7-18.1174.8-74174.51300113.6N479 I485 V491N479-Q483 VanDerWaalsContact O-CB 3.3Å; N479-Q483 WeakPolarHBondContact O-CB 3.46Å; N479-Q483 WeakPolarHBondContact O-CG 3.42Å; N479-Q483 PolarHBondContact O-N 3.24Å; Q483-I485 VanDerWaalsContact C-N 3.33Å; Q483-V491 HydrophobicContact CG-CG2 4.4Å
484S83.6Confident78.8Confident101 Ų10171.6 Ų71.671%0.70638%0.378SS*.Hα-helixtrans-75.6-24.3173.577.70000112.9H481 M482H481-S484 WeakPolarHBondContact O-CB 3.47Å; H481-S484 PolarHBondContact O-N 2.98Å; H481-S484 PolarHBondContact O-OG 2.87Å; M482-S484 PolarHBondContact O-N 2.77Å
485I81.4Confident79.2Confident49 Ų4968.2 Ų68.225%0.25137%0.366SS..Hα-helixtrans-101.2-43.8-176.3-61.2160.1000110.6A463 E467 M482 Q483A463-I485 HydrophobicContact CB-CD1 4Å; A463-I485 HydrophobicContact CB-CG1 4.35Å; A463-I485 HydrophobicContact CB-CG2 3.79Å; E467-I485 HydrophobicContact CG-CD1 3.82Å; M482-I485 HydrophobicContact CE-CB 4.22Å; M482-I485 HydrophobicContact CE-CD1 3.51Å; M482-I485 HydrophobicContact CE-CG1 4.42Å; M482-I485 PolarHBondContact O-N 3.44Å; Q483-I485 VanDerWaalsContact C-N 3.33Å
486L82.9Confident79.4Confident8 Ų868.6 Ų68.64%0.04238%0.375CS..SBendtrans-119.7153.9-171.1-62.8176.4000111.6V455 E460 C464 M482 T490 V491 I494V455-L486 HydrophobicContact CG1-CD2 4.14Å; V455-L486 HydrophobicContact CG2-CD1 4.12Å; V455-L486 HydrophobicContact CG2-CD2 4.4Å; E460-L486 HydrophobicContact CB-CD2 3.88Å; E460-L486 HydrophobicContact CG-CD2 4.31Å; C464-L486 HydrophobicContact CB-CD1 4.43Å; M482-L486 PolarHBondContact O-N 2.85Å; L486-T490 HydrophobicContact CD1-CG2 4.3Å; L486-V491 HydrophobicContact CB-CG2 3.96Å; L486-I494 HydrophobicContact CD1-CD1 3.4Å
487L82.2Confident80.1Confident129 Ų12969.7 Ų69.768%0.67538%0.381SS*.  trans-61.8144171.9-66.8172.7000110.7A489 T490 V491L487-A489 PolarHBondContact O-N 3.05Å; L487-T490 WeakPolarHBondContact O-CB 3.28Å; L487-T490 PolarHBondContact O-N 3.04Å; L487-V491 PolarHBondContact O-N 2.73Å; L487-V491 VanDerWaalsContact O-N 3.12Å
488P80.9Confident80.9Confident74 Ų7463.8 Ų63.848%0.48136%0.357SS..Hα-helixtrans-53.4-33.1179.9-28.734.7000114.2V491 I492P488-V491 PolarHBondContact O-N 3.16Å; P488-I492 WeakPolarHBondContact O-CG1 3.43Å; P488-I492 PolarHBondContact O-N 2.83Å; P488-I492 VanDerWaalsContact O-N 3.12Å
489A79.9Confident81.7Confident61 Ų6161.4 Ų61.450%0.50435%0.354SS..Hα-helixtrans-64.3-42.4176.300000112.6L487 I492 V493L487-A489 PolarHBondContact O-N 3.05Å; A489-I492 PolarHBondContact O-N 3.08Å; A489-V493 WeakPolarHBondContact O-CG2 3.43Å; A489-V493 PolarHBondContact O-N 3.33Å
490T82Confident82.6Confident18 Ų1862.9 Ų62.911%0.1137%0.365CS..Hα-helixtrans-67.8-39.5177.6-490000110.6V455 L486 L487 I492 V493 I494V455-T490 HydrophobicContact CG2-CG2 4.38Å; L486-T490 HydrophobicContact CD1-CG2 4.3Å; L487-T490 WeakPolarHBondContact O-CB 3.28Å; L487-T490 PolarHBondContact O-N 3.04Å; T490-I492 PolarHBondContact O-N 2.71Å; T490-V493 PolarHBondContact O-N 3.21Å; T490-I494 HydrophobicContact CG2-CD1 4.07Å; T490-I494 WeakPolarHBondContact O-CG1 3.35Å; T490-I494 PolarHBondContact O-N 2.92Å
491V83.3Confident82.9Confident4 Ų456.8 Ų56.82%0.02434%0.339CS..Hα-helixtrans-57.9-47.3175.6179.70000110.9N479 M482 Q483 L486 L487 P488 V493 I494 S495N479-V491 WeakPolarHBondContact OD1-CG1 3.36Å; M482-V491 HydrophobicContact CB-CG1 4.27Å; M482-V491 HydrophobicContact CB-CG2 4.13Å; Q483-V491 HydrophobicContact CG-CG2 4.4Å; L486-V491 HydrophobicContact CB-CG2 3.96Å; L487-V491 PolarHBondContact O-N 2.73Å; L487-V491 VanDerWaalsContact O-N 3.12Å; P488-V491 PolarHBondContact O-N 3.16Å; V491-V493 VanDerWaalsContact C-N 3.32Å; V491-V493 PolarHBondContact O-N 2.9Å; V491-I494 PolarHBondContact O-N 3.14Å; V491-I494 VanDerWaalsContact O-N 3.17Å; V491-S495 PolarHBondContact O-N 3.11Å; V491-S495 PolarHBondContact O-OG 3.47Å
492I82.8Confident83.1Confident109 Ų10959.9 Ų59.956%0.55935%0.354SS*.Hα-helixtrans-58.4-44.1177.2-67.9163.7000111.5P488 A489 T490 I494 S495 V496P488-I492 WeakPolarHBondContact O-CG1 3.43Å; P488-I492 PolarHBondContact O-N 2.83Å; P488-I492 VanDerWaalsContact O-N 3.12Å; A489-I492 PolarHBondContact O-N 3.08Å; T490-I492 PolarHBondContact O-N 2.71Å; I492-I494 VanDerWaalsContact C-N 3.34Å; I492-S495 PolarHBondContact O-N 3.41Å; I492-V496 HydrophobicContact CG2-CG2 4.48Å; I492-V496 VanDerWaalsContact O-CG2 3.29Å; I492-V496 WeakPolarHBondContact O-CG2 3.33Å; I492-V496 PolarHBondContact O-N 2.97Å
493V83.5Confident83.2Confident48 Ų4860.4 Ų60.429%0.29136%0.362SS..Hα-helixtrans-64.4-41.9179179.20000110.6L454 A489 T490 V491 V496 T497L454-V493 HydrophobicContact CD1-CG1 4.39Å; L454-V493 HydrophobicContact CD2-CG1 3.48Å; L454-V493 VanDerWaalsContact CD2-CG1 3.48Å; A489-V493 WeakPolarHBondContact O-CG2 3.43Å; A489-V493 PolarHBondContact O-N 3.33Å; T490-V493 PolarHBondContact O-N 3.21Å; V491-V493 VanDerWaalsContact C-N 3.32Å; V491-V493 PolarHBondContact O-N 2.9Å; V493-V496 PolarHBondContact O-N 2.98Å; V493-T497 WeakPolarHBondContact O-CB 3.43Å; V493-T497 PolarHBondContact O-N 3.01Å; V493-T497 PolarHBondContact O-OG1 2.99Å
494I84.9Confident83.4Confident4 Ų462.9 Ų62.92%0.02137%0.373CS..Hα-helixtrans-61.7-47.3175.2-68.5168.4000110.6F448 L451 L454 V455 L486 T490 V491 I492 V496 T497 A498F448-I494 HydrophobicContact CE1-CG2 4.07Å; F448-I494 HydrophobicContact CZ-CG2 4.47Å; L451-I494 HydrophobicContact CD1-CD1 4.3Å; L451-I494 HydrophobicContact CD1-CG1 4.42Å; L454-I494 HydrophobicContact CB-CG1 4.34Å; L454-I494 HydrophobicContact CD1-CG1 3.91Å; V455-I494 HydrophobicContact CG2-CD1 3.82Å; L486-I494 HydrophobicContact CD1-CD1 3.4Å; T490-I494 HydrophobicContact CG2-CD1 4.07Å; T490-I494 WeakPolarHBondContact O-CG1 3.35Å; T490-I494 PolarHBondContact O-N 2.92Å; V491-I494 PolarHBondContact O-N 3.14Å; V491-I494 VanDerWaalsContact O-N 3.17Å; I492-I494 VanDerWaalsContact C-N 3.34Å; I494-V496 VanDerWaalsContact C-N 3.32Å; I494-V496 PolarHBondContact O-N 2.81Å; I494-T497 PolarHBondContact O-N 3.12Å; I494-A498 WeakPolarHBondContact O-CB 3.49Å; I494-A498 PolarHBondContact O-N 2.67Å
495S84.4Confident83.6Confident36 Ų3664.1 Ų64.125%0.25237%0.371SS..Hα-helixtrans-61.4-38.6179.3-50.40000112.5A476 V491 I492 A499A476-S495 PolarHBondContact O-OG 3.17Å; V491-S495 PolarHBondContact O-N 3.11Å; V491-S495 PolarHBondContact O-OG 3.47Å; I492-S495 PolarHBondContact O-N 3.41Å; S495-A499 PolarHBondContact O-N 3.48Å
496V84.8Confident83.9Confident94 Ų9462.2 Ų62.257%0.5736%0.361SS*.Hα-helixtrans-69.9-40.2176.4172.60000111.5I492 V493 I494 A499 T500I492-V496 HydrophobicContact CG2-CG2 4.48Å; I492-V496 VanDerWaalsContact O-CG2 3.29Å; I492-V496 WeakPolarHBondContact O-CG2 3.33Å; I492-V496 PolarHBondContact O-N 2.97Å; V493-V496 PolarHBondContact O-N 2.98Å; I494-V496 VanDerWaalsContact C-N 3.32Å; I494-V496 PolarHBondContact O-N 2.81Å; V496-A499 PolarHBondContact O-N 2.83Å; V496-T500 PolarHBondContact O-OG1 3.25Å
497T85.6Confident84.3Confident27 Ų2765.4 Ų65.417%0.16638%0.381CS..Hα-helixtrans-73.8-35.7-179.8-42.10000111.2F448 E450 L454 V493 I494 A499 T500 T501F448-T497 HydrophobicContact CE2-CG2 4.08Å; F448-T497 HydrophobicContact CZ-CG2 4.45Å; E450-T497 HydrophobicContact CB-CG2 3.63Å; E450-T497 HydrophobicContact CG-CG2 3.76Å; L454-T497 HydrophobicContact CD1-CG2 4.21Å; V493-T497 WeakPolarHBondContact O-CB 3.43Å; V493-T497 PolarHBondContact O-N 3.01Å; V493-T497 PolarHBondContact O-OG1 2.99Å; I494-T497 PolarHBondContact O-N 3.12Å; T497-A499 PolarHBondContact O-N 3.35Å; T497-T500 CarbonylContact O-C 3.19Å; T497-T500 PolarHBondContact O-N 2.51Å; T497-T500 PolarHBondContact O-OG1 3.15Å; T497-T501 PolarHBondContact O-N 2.68Å
498A85.6Confident84.5Confident5 Ų563.4 Ų63.44%0.04138%0.383CS..Hα-helixtrans-60.7-31.7173.900000112.8F448 I472 A476 I494 T500F448-A498 HydrophobicContact CE1-CB 4.46Å; F448-A498 HydrophobicContact CZ-CB 4.22Å; I472-A498 HydrophobicContact CG2-CB 3.47Å; I472-A498 VanDerWaalsContact CG2-CB 3.47Å; A476-A498 HydrophobicContact CB-CB 4.16Å; I494-A498 WeakPolarHBondContact O-CB 3.49Å; I494-A498 PolarHBondContact O-N 2.67Å; A498-T500 PolarHBondContact O-N 2.71Å
499A84.7Confident84.8Confident69 Ų6966.9 Ų66.957%0.5739%0.393SS*.THydrogen-bonded Turntrans-72.2-15.1175.700000113.8S495 V496 T497S495-A499 PolarHBondContact O-N 3.48Å; V496-A499 PolarHBondContact O-N 2.83Å; T497-A499 PolarHBondContact O-N 3.35Å
500T86.1Confident85.1Confident103 Ų10366.1 Ų66.163%0.63238%0.379SS*.THydrogen-bonded Turntrans-127.91.1-171.853.20000114.5V496 T497 A498V496-T500 PolarHBondContact O-OG1 3.25Å; T497-T500 CarbonylContact O-C 3.19Å; T497-T500 PolarHBondContact O-N 2.51Å; T497-T500 PolarHBondContact O-OG1 3.15Å; A498-T500 PolarHBondContact O-N 2.71Å
501T84.4Confident85.3Confident29 Ų2967.2 Ų67.218%0.17838%0.384CS..  trans-65.8146.7-179.3-172.60000112.4F448 E450 I472 T497F448-T501 HydrophobicContact CD2-CG2 4.42Å; E450-T501 WeakPolarHBondContact OE2-CB 3.21Å; E450-T501 PolarHBondContact OE2-OG1 3.32Å; I472-T501 HydrophobicContact CD1-CG2 4.34Å; T497-T501 PolarHBondContact O-N 2.68Å
502Q81.7Confident85.7Confident184 Ų18471.6 Ų71.686%0.8641%0.408SS*.  trans-103.212.8179.5-62.7-163.4-22.400114
503G81.8Confident85.9Confident20 Ų2067.9 Ų67.921%0.20639%0.387CS..PPolyproline II helixtrans-71156.3-176.800000115.2K446 R447K446-G503 CarbonylContact O-C 3.54Å; K446-G503 WeakPolarHBondContact O-CA 3.34Å; R447-G503 PolarHBondContact NH1-O 2.93Å; R447-G503 WeakPolarHBondContact O-CA 3.36Å
504E86Confident86.2Confident149 Ų14965.6 Ų65.670%0.69637%0.374SS*.PPolyproline II helixtrans-90.6155.2-179.9-64.5-179.5173.800111.8K446 R447K446-E504 PolarHBondContact O-N 2.79Å; R447-E504 VanDerWaalsContact CA-O 3.3Å; R447-E504 WeakPolarHBondContact CA-O 3.41Å; R447-E504 WeakPolarHBondContact CD-O 3.31Å
505L87.8Confident86.5Confident126 Ų12668 Ų6866%0.6639%0.386SS*.PPolyproline II helixtrans-71.8131.9174.1-70.4168.9000110.3N470N470-L505 HydrophobicContact CB-CD2 4.47Å
506L87.6Confident86.7Confident9 Ų969 Ų695%0.04739%0.386CS..PPolyproline II helixtrans-71.9146.4173.2-65.4166.6000110.1Y444 K446 R447 N470 E510Y444-L506 HydrophobicContact CD2-CD1 3.88Å; Y444-L506 HydrophobicContact CE2-CD1 4.28Å; K446-L506 HydrophobicContact CB-CD2 3.96Å; K446-L506 HydrophobicContact CD-CD2 4.14Å; R447-L506 HydrophobicContact CB-CD1 3.99Å; R447-L506 HydrophobicContact CB-CG 3.98Å; N470-L506 PolarHBondContact ND2-O 3.11Å; N470-L506 WeakPolarHBondContact OD1-CB 3.3Å; N470-L506 PolarHBondContact OD1-N 3.43Å; L506-E510 HydrophobicContact CB-CB 4.12Å; L506-E510 HydrophobicContact CD2-CB 4.19Å
507T89.5Confident86.9Confident75 Ų7564.5 Ų64.546%0.4636%0.359SS..PPolyproline II helixtrans-65.1160.9170.770.30000110.8E509 E510 L511T507-E509 PolarHBondContact O-N 3.45Å; T507-E510 PolarHBondContact N-OE2 3.03Å; T507-E510 VanDerWaalsContact N-OE2 3.17Å; T507-E510 PolarHBondContact O-N 3.2Å; T507-E510 WeakPolarHBondContact OG1-CB 3.33Å; T507-E510 VanDerWaalsContact OG1-CG 3.27Å; T507-E510 WeakPolarHBondContact OG1-CG 3.43Å; T507-E510 PolarHBondContact OG1-N 2.77Å; T507-E510 VanDerWaalsContact OG1-N 3.16Å; T507-L511 WeakPolarHBondContact O-CB 3.11Å; T507-L511 PolarHBondContact O-N 2.93Å
508A87.7Confident87.2Confident87 Ų8763.2 Ų63.272%0.71935%0.351SS*.Hα-helixtrans-58.5-37.6178.200000112.1D512A508-D512 WeakPolarHBondContact O-CB 3.37Å; A508-D512 PolarHBondContact O-N 2.92Å
509E86Confident87.4Confident148 Ų14866.6 Ų66.669%0.69237%0.369SS*.Hα-helixtrans-68.8-42.9176.1-64.7-179.7171.500112.3T507 L511 D512 H513T507-E509 PolarHBondContact O-N 3.45Å; E509-L511 VanDerWaalsContact C-N 3.34Å; E509-L511 PolarHBondContact O-N 3.34Å; E509-D512 PolarHBondContact O-N 3.3Å; E509-H513 PolarHBondContact O-N 2.91Å; E509-H513 VanDerWaalsContact O-N 3.1Å; E509-H513 PolarHBondContact O-ND1 3.49Å
510E86.2Confident87.6Confident44 Ų4464.5 Ų64.521%0.20635%0.347CS..Hα-helixtrans-64.4-39.7177.1-75178.914300112.1K446 L506 T507 V514K446-E510 IonicContact NZ-OE1 3.14Å; K446-E510 PolarHBondContact NZ-OE1 3Å; L506-E510 HydrophobicContact CB-CB 4.12Å; L506-E510 HydrophobicContact CD2-CB 4.19Å; T507-E510 PolarHBondContact N-OE2 3.03Å; T507-E510 VanDerWaalsContact N-OE2 3.17Å; T507-E510 PolarHBondContact O-N 3.2Å; T507-E510 WeakPolarHBondContact OG1-CB 3.33Å; T507-E510 VanDerWaalsContact OG1-CG 3.27Å; T507-E510 WeakPolarHBondContact OG1-CG 3.43Å; T507-E510 PolarHBondContact OG1-N 2.77Å; T507-E510 VanDerWaalsContact OG1-N 3.16Å; E510-V514 WeakPolarHBondContact O-CG2 3.36Å; E510-V514 PolarHBondContact O-N 3.42Å
511L88.1Confident87.7Confident42 Ų4259.6 Ų59.622%0.2232%0.317CS..Hα-helixtrans-65.1-42.8176.2-177.665.3000111N470 T507 E509 H513 V514 M515N470-L511 HydrophobicContact CB-CD2 4.34Å; T507-L511 WeakPolarHBondContact O-CB 3.11Å; T507-L511 PolarHBondContact O-N 2.93Å; E509-L511 VanDerWaalsContact C-N 3.34Å; E509-L511 PolarHBondContact O-N 3.34Å; L511-H513 PolarHBondContact O-N 3.32Å; L511-V514 PolarHBondContact O-N 3.31Å; L511-M515 HydrophobicContact CD1-CG 4.36Å; L511-M515 HydrophobicContact CG-CG 4.34Å; L511-M515 VanDerWaalsContact O-CG 3.25Å; L511-M515 WeakPolarHBondContact O-CG 3.32Å; L511-M515 PolarHBondContact O-N 2.96Å
512D89.9Confident88Confident96 Ų9660.7 Ų60.751%0.51332%0.322SS..Hα-helixtrans-59.4-45.4177.8-167.556.4000111.6A508 E509 V514 M515 E516A508-D512 WeakPolarHBondContact O-CB 3.37Å; A508-D512 PolarHBondContact O-N 2.92Å; E509-D512 PolarHBondContact O-N 3.3Å; D512-V514 VanDerWaalsContact C-N 3.31Å; D512-V514 PolarHBondContact O-N 3.05Å; D512-M515 PolarHBondContact O-N 2.83Å; D512-E516 WeakPolarHBondContact O-CB 3.49Å; D512-E516 PolarHBondContact O-N 3.31Å
513H87.4Confident88.3Confident30 Ų3057.3 Ų57.314%0.13931%0.306CS..Hα-helixtrans-62.1-35.6175.7-63.8161.3000113.4D372 V374 E509 L511 A517D372-H513 PolarHBondContact O-ND1 3.16Å; V374-H513 WeakPolarHBondContact CG2-O 3.31Å; E509-H513 PolarHBondContact O-N 2.91Å; E509-H513 VanDerWaalsContact O-N 3.1Å; E509-H513 PolarHBondContact O-ND1 3.49Å; L511-H513 PolarHBondContact O-N 3.32Å; H513-A517 PolarHBondContact O-N 3.42Å
514V89.6Confident88.6Confident0 Ų056.4 Ų56.40%030%0.296CS..Hα-helixtrans-69.7-41.5175.1170.20000110.8V440 K443 Y444 V465 E510 L511 D512 A517 C518V440-V514 HydrophobicContact CG1-CG1 4.27Å; K443-V514 HydrophobicContact CB-CG2 3.7Å; Y444-V514 HydrophobicContact CD2-CG1 4.23Å; V465-V514 HydrophobicContact CG1-CG1 3.53Å; E510-V514 WeakPolarHBondContact O-CG2 3.36Å; E510-V514 PolarHBondContact O-N 3.42Å; L511-V514 PolarHBondContact O-N 3.31Å; D512-V514 VanDerWaalsContact C-N 3.31Å; D512-V514 PolarHBondContact O-N 3.05Å; V514-A517 WeakPolarHBondContact O-CB 2.79Å; V514-A517 PolarHBondContact O-N 3.32Å; V514-C518 PolarHBondContact O-N 3Å; V514-C518 PolarHBondContact O-SG 3.04Å
515M90.8Very high88.8Confident56 Ų5652.1 Ų52.128%0.27628%0.278SS..Hα-helixtrans-67-40.4178.5-65-63.4-81.300111.7K466 L511 D512 A517 C518 D519K466-M515 HydrophobicContact CG-CE 4.06Å; K466-M515 HydrophobicContact CG-SD 4.47Å; L511-M515 HydrophobicContact CD1-CG 4.36Å; L511-M515 HydrophobicContact CG-CG 4.34Å; L511-M515 VanDerWaalsContact O-CG 3.25Å; L511-M515 WeakPolarHBondContact O-CG 3.32Å; L511-M515 PolarHBondContact O-N 2.96Å; D512-M515 PolarHBondContact O-N 2.83Å; M515-A517 VanDerWaalsContact C-N 3.3Å; M515-A517 PolarHBondContact O-N 3.19Å; M515-C518 WeakPolarHBondContact O-CB 3.18Å; M515-C518 PolarHBondContact O-N 3.11Å; M515-C518 VanDerWaalsContact O-N 3.14Å; M515-D519 PolarHBondContact O-N 3.5Å
516E89.5Confident88.8Confident55 Ų5553.4 Ų53.426%0.25728%0.278SS..Hα-helixtrans-54.8-45.4172.2-172.4-176.9160.900110.8R373 V374 D512 C518 D519 M520R373-E516 IonicContact CZ-OE2 2.62Å; R373-E516 IonicContact NE-OE2 3.22Å; R373-E516 IonicContact NH2-OE2 3.19Å; R373-E516 PolarHBondContact NH2-OE2 2.88Å; V374-E516 HydrophobicContact CG2-CB 4.4Å; V374-E516 HydrophobicContact CG2-CG 4.42Å; D512-E516 WeakPolarHBondContact O-CB 3.49Å; D512-E516 PolarHBondContact O-N 3.31Å; E516-C518 PolarHBondContact O-N 3.36Å; E516-D519 PolarHBondContact O-N 3.43Å; E516-M520 WeakPolarHBondContact O-CB 3.3Å; E516-M520 PolarHBondContact O-N 2.84Å; E516-M520 VanDerWaalsContact O-N 3.11Å
517A89.7Confident88.8Confident0 Ų053.4 Ų53.40%028%0.28CS..Hα-helixtrans-64.4-40177.400000112.8V374 V436 F439 V440 H513 V514 M515 T521V374-A517 HydrophobicContact CG1-CB 4.14Å; V374-A517 HydrophobicContact CG2-CB 3.51Å; V436-A517 HydrophobicContact CG1-CB 3.92Å; V436-A517 WeakPolarHBondContact CG1-O 3.46Å; F439-A517 HydrophobicContact CD1-CB 3.92Å; F439-A517 HydrophobicContact CE1-CB 4.12Å; V440-A517 HydrophobicContact CG2-CB 3.5Å; V440-A517 VanDerWaalsContact CG2-CB 3.5Å; H513-A517 PolarHBondContact O-N 3.42Å; V514-A517 WeakPolarHBondContact O-CB 2.79Å; V514-A517 PolarHBondContact O-N 3.32Å; M515-A517 VanDerWaalsContact C-N 3.3Å; M515-A517 PolarHBondContact O-N 3.19Å; A517-T521 PolarHBondContact O-N 3.06Å; A517-T521 VanDerWaalsContact O-N 3.08Å; A517-T521 PolarHBondContact O-OG1 3.03Å
518C91.1Very high88.6Confident0 Ų051.3 Ų51.30%026%0.264CS..Hα-helixtrans-64.9-44.6178.6-68.70000112V462 K466 V514 M515 E516 T521 L522V462-C518 HydrophobicContact CG1-CB 3.79Å; K466-C518 HydrophobicContact CB-CB 4.06Å; K466-C518 HydrophobicContact CD-CB 4.34Å; K466-C518 HydrophobicContact CG-CB 4.43Å; V514-C518 PolarHBondContact O-N 3Å; V514-C518 PolarHBondContact O-SG 3.04Å; M515-C518 WeakPolarHBondContact O-CB 3.18Å; M515-C518 PolarHBondContact O-N 3.11Å; M515-C518 VanDerWaalsContact O-N 3.14Å; E516-C518 PolarHBondContact O-N 3.36Å; C518-T521 PolarHBondContact O-N 3.42Å; C518-L522 WeakPolarHBondContact O-CG 3.37Å; C518-L522 PolarHBondContact O-N 2.76Å; C518-L522 VanDerWaalsContact O-N 3.16Å
519D90.8Very high88.4Confident77 Ų7748.5 Ų48.541%0.41224%0.244SC..Hα-helixtrans-64.1-43.8178.7-75.9-25.9000111.8K466 M515 E516 T521 L522 E523K466-D519 WeakPolarHBondContact CE-OD1 3.3Å; K466-D519 IonicContact NZ-OD1 3.78Å; K466-D519 PolarHBondContact NZ-OD1 3.49Å; M515-D519 PolarHBondContact O-N 3.5Å; E516-D519 PolarHBondContact O-N 3.43Å; D519-T521 VanDerWaalsContact C-N 3.33Å; D519-T521 PolarHBondContact O-N 3.43Å; D519-L522 PolarHBondContact O-N 3.37Å; D519-E523 PolarHBondContact O-N 2.99Å
520M87.6Confident88.3Confident25 Ų2547.6 Ų47.612%0.12323%0.234CC..Hα-helixtrans-59.4-42.4176.5-163.9-174.471.100112.3V374 A378 L381 V436 E516 L522 E523 L524V374-M520 HydrophobicContact CG1-CE 3.21Å; V374-M520 HydrophobicContact CG1-SD 3.61Å; A378-M520 HydrophobicContact CB-CE 3.38Å; A378-M520 HydrophobicContact CB-SD 4Å; L381-M520 HydrophobicContact CD1-CB 4.36Å; L381-M520 HydrophobicContact CD1-CG 3.16Å; L381-M520 HydrophobicContact CD1-SD 4.1Å; V436-M520 HydrophobicContact CB-CE 4.18Å; V436-M520 HydrophobicContact CG1-CE 3.89Å; V436-M520 HydrophobicContact CG2-CE 3.16Å; E516-M520 WeakPolarHBondContact O-CB 3.3Å; E516-M520 PolarHBondContact O-N 2.84Å; E516-M520 VanDerWaalsContact O-N 3.11Å; M520-L522 VanDerWaalsContact C-N 3.34Å; M520-L522 PolarHBondContact O-N 3.33Å; M520-E523 PolarHBondContact O-N 3.17Å; M520-L524 WeakPolarHBondContact O-CG 3.48Å; M520-L524 PolarHBondContact O-N 3.27Å
521T89.4Confident88.2Confident0 Ų045.5 Ų45.50%022%0.224CC..Hα-helixtrans-62.9-40.3176.6-550000111.9I433 V436 L459 V462 A517 C518 D519 N525I433-T521 HydrophobicContact CG1-CG2 4.27Å; I433-T521 HydrophobicContact CG2-CG2 4.14Å; V436-T521 WeakPolarHBondContact CG1-OG1 3.2Å; L459-T521 HydrophobicContact CD2-CG2 4.02Å; V462-T521 HydrophobicContact CB-CG2 4.36Å; V462-T521 HydrophobicContact CG1-CG2 4.07Å; V462-T521 HydrophobicContact CG2-CG2 4.2Å; A517-T521 PolarHBondContact O-N 3.06Å; A517-T521 VanDerWaalsContact O-N 3.08Å; A517-T521 PolarHBondContact O-OG1 3.03Å; C518-T521 PolarHBondContact O-N 3.42Å; D519-T521 VanDerWaalsContact C-N 3.33Å; D519-T521 PolarHBondContact O-N 3.43Å; T521-N525 WeakPolarHBondContact O-CB 3.42Å; T521-N525 PolarHBondContact O-N 2.94Å
522L89Confident87.8Confident51 Ų5145.1 Ų45.127%0.26722%0.22SC..Hα-helixtrans-69.4-34.8178.7-69.7171.4000112K466 C518 D519 M520 K526K466-L522 HydrophobicContact CD-CD1 3.69Å; C518-L522 WeakPolarHBondContact O-CG 3.37Å; C518-L522 PolarHBondContact O-N 2.76Å; C518-L522 VanDerWaalsContact O-N 3.16Å; D519-L522 PolarHBondContact O-N 3.37Å; M520-L522 VanDerWaalsContact C-N 3.34Å; M520-L522 PolarHBondContact O-N 3.33Å; L522-K526 WeakPolarHBondContact O-CG 3.34Å; L522-K526 PolarHBondContact O-N 3.48Å; L522-K526 VanDerWaalsContact O-N 3.08Å
523E89.3Confident87.5Confident114 Ų11446.3 Ų46.353%0.53322%0.223SC..Hα-helixtrans-66.4-46.8174.4-171.5171.8-169.400111.7L381 D519 M520 N525 K526 A527L381-E523 HydrophobicContact CD2-CG 4.13Å; D519-E523 PolarHBondContact O-N 2.99Å; M520-E523 PolarHBondContact O-N 3.17Å; E523-N525 VanDerWaalsContact C-N 3.31Å; E523-N525 PolarHBondContact O-N 3.13Å; E523-K526 WeakPolarHBondContact O-CB 3.43Å; E523-K526 PolarHBondContact O-N 3.38Å; E523-K526 VanDerWaalsContact O-N 3.12Å; E523-A527 PolarHBondContact O-N 2.93Å
524L88.8Confident87.3Confident0 Ų045 Ų450%022%0.217CC..Hα-helixtrans-56-44.1172.9-75.9174.8000112L380 L381 F386 I429 E432 I433 M520 K526 A527 K528L380-L524 HydrophobicContact CD2-CD2 4.25Å; L381-L524 HydrophobicContact CD1-CD2 4.34Å; L381-L524 HydrophobicContact CD1-CG 4.2Å; L381-L524 HydrophobicContact CD2-CD2 4.23Å; L381-L524 HydrophobicContact CG-CD2 3.91Å; L381-L524 HydrophobicContact CG-CG 4.31Å; F386-L524 HydrophobicContact CE2-CD2 4.34Å; I429-L524 HydrophobicContact CG1-CD2 4.3Å; I429-L524 HydrophobicContact CG2-CB 3.96Å; I429-L524 HydrophobicContact CG2-CD2 4.43Å; E432-L524 HydrophobicContact CB-CD1 4.29Å; E432-L524 HydrophobicContact CG-CD1 4.1Å; E432-L524 VanDerWaalsContact OE2-CD1 3.29Å; E432-L524 WeakPolarHBondContact OE2-CD1 3.28Å; E432-L524 WeakPolarHBondContact OE2-CD2 3.31Å; I433-L524 HydrophobicContact CG1-CB 4.28Å; I433-L524 HydrophobicContact CG1-CD1 4.47Å; M520-L524 WeakPolarHBondContact O-CG 3.48Å; M520-L524 PolarHBondContact O-N 3.27Å; L524-K526 PolarHBondContact O-N 3.29Å; L524-A527 PolarHBondContact O-N 2.91Å; L524-K528 WeakPolarHBondContact O-CB 3.35Å; L524-K528 PolarHBondContact O-N 2.99Å
525N88.4Confident86.8Confident60 Ų6045 Ų4532%0.32122%0.217SC..Hα-helixtrans-64.7-36.3177.1-172.955000113L459 T521 E523 G529L459-N525 HydrophobicContact CD2-CB 4.05Å; T521-N525 WeakPolarHBondContact O-CB 3.42Å; T521-N525 PolarHBondContact O-N 2.94Å; E523-N525 VanDerWaalsContact C-N 3.31Å; E523-N525 PolarHBondContact O-N 3.13Å; N525-G529 PolarHBondContact O-N 3.23Å
526K89Confident86.3Confident152 Ų15246 Ų4666%0.66122%0.221SC*.Hα-helixtrans-65.8-43.2173.6-74.3174.2-177.4177.20111.6L522 E523 L524 G529 R530L522-K526 WeakPolarHBondContact O-CG 3.34Å; L522-K526 PolarHBondContact O-N 3.48Å; L522-K526 VanDerWaalsContact O-N 3.08Å; E523-K526 WeakPolarHBondContact O-CB 3.43Å; E523-K526 PolarHBondContact O-N 3.38Å; E523-K526 VanDerWaalsContact O-N 3.12Å; L524-K526 PolarHBondContact O-N 3.29Å; K526-G529 PolarHBondContact O-N 2.91Å; K526-R530 PolarHBondContact O-N 3.36Å
527A86.7Confident85.9Confident9 Ų946.1 Ų46.17%0.07423%0.231CC..Hα-helixtrans-61.6-44176.200000111.6F386 L390 I429 E523 L524 G529 R530 I531F386-A527 HydrophobicContact CE2-CB 4.02Å; F386-A527 HydrophobicContact CZ-CB 3.62Å; L390-A527 HydrophobicContact CD1-CB 4.21Å; L390-A527 HydrophobicContact CD2-CB 4.49Å; I429-A527 HydrophobicContact CD1-CB 4.36Å; E523-A527 PolarHBondContact O-N 2.93Å; L524-A527 PolarHBondContact O-N 2.91Å; A527-G529 VanDerWaalsContact C-N 3.32Å; A527-G529 PolarHBondContact O-N 3.22Å; A527-R530 PolarHBondContact O-N 3.25Å; A527-I531 WeakPolarHBondContact O-CG1 3.47Å; A527-I531 PolarHBondContact O-N 3.49Å; A527-I531 VanDerWaalsContact O-N 3.12Å
528K85Confident85.3Confident31 Ų3147.7 Ų47.714%0.13524%0.237CC..Hα-helixtrans-57.9-41.3173.3177.9177.3167.5178.30112.6I429 D430 L524 I531 Y532I429-K528 HydrophobicContact CD1-CB 4.14Å; I429-K528 HydrophobicContact CG2-CB 3.94Å; I429-K528 HydrophobicContact CG2-CD 4.26Å; D430-K528 IonicContact OD1-NZ 2.88Å; D430-K528 PolarHBondContact OD1-NZ 3.27Å; D430-K528 IonicContact OD2-NZ 3.53Å; D430-K528 PolarHBondContact OD2-NZ 3.34Å; L524-K528 WeakPolarHBondContact O-CB 3.35Å; L524-K528 PolarHBondContact O-N 2.99Å; K528-I531 PolarHBondContact O-N 2.88Å; K528-Y532 HydrophobicContact CD-CE2 4.26Å; K528-Y532 HydrophobicContact CG-CD2 4.03Å; K528-Y532 HydrophobicContact CG-CE2 3.75Å; K528-Y532 WeakPolarHBondContact O-CD2 3.36Å; K528-Y532 PolarHBondContact O-N 3.26Å; K528-Y532 VanDerWaalsContact O-N 3.15Å
529G83.4Confident84.9Confident29 Ų2947.7 Ų47.730%0.29924%0.237SC..Hα-helixtrans-58-47.7174.700000112.8N525 K526 A527 I531 Y532 E533N525-G529 PolarHBondContact O-N 3.23Å; K526-G529 PolarHBondContact O-N 2.91Å; A527-G529 VanDerWaalsContact C-N 3.32Å; A527-G529 PolarHBondContact O-N 3.22Å; G529-I531 VanDerWaalsContact C-N 3.32Å; G529-I531 PolarHBondContact O-N 3.12Å; G529-Y532 PolarHBondContact O-N 3.1Å; G529-E533 WeakPolarHBondContact O-CG 3.39Å; G529-E533 PolarHBondContact O-N 3.3Å
530R84.7Confident84.3Confident128 Ų12846.9 Ų46.948%0.48324%0.242SC..Hα-helixtrans-60.9-38.8177.5-68.1-179.5175.3-170.9-6.3113E394 K526 A527 E533 F534E394-R530 IonicContact OE1-CZ 2.66Å; E394-R530 IonicContact OE1-NH1 2.83Å; E394-R530 PolarHBondContact OE1-NH1 2.99Å; K526-R530 PolarHBondContact O-N 3.36Å; A527-R530 PolarHBondContact O-N 3.25Å; R530-E533 PolarHBondContact O-N 2.88Å; R530-F534 PolarHBondContact O-N 3.49Å; R530-F534 VanDerWaalsContact O-N 3.16Å
531I84.4Confident83.8Confident0 Ų052 Ų520%026%0.26CS..Hα-helixtrans-61.7-46.5175.9-68.5166.8000110.4L390 I393 A422 L425 A426 I429 A527 K528 G529 E533 F534 V535L390-I531 HydrophobicContact CD2-CG1 4.4Å; I393-I531 HydrophobicContact CD1-CG1 3.9Å; A422-I531 HydrophobicContact CB-CG2 3.92Å; A422-I531 WeakPolarHBondContact O-CG2 3.38Å; L425-I531 HydrophobicContact CB-CD1 4.31Å; L425-I531 HydrophobicContact CD2-CD1 4.01Å; L425-I531 HydrophobicContact CG-CD1 4.22Å; A426-I531 HydrophobicContact CB-CG2 4.09Å; I429-I531 HydrophobicContact CD1-CD1 3.79Å; A527-I531 WeakPolarHBondContact O-CG1 3.47Å; A527-I531 PolarHBondContact O-N 3.49Å; A527-I531 VanDerWaalsContact O-N 3.12Å; K528-I531 PolarHBondContact O-N 2.88Å; G529-I531 VanDerWaalsContact C-N 3.32Å; G529-I531 PolarHBondContact O-N 3.12Å; I531-E533 PolarHBondContact O-N 3.08Å; I531-F534 PolarHBondContact O-N 2.73Å; I531-V535 HydrophobicContact CG2-CG2 4.31Å; I531-V535 VanDerWaalsContact O-CG2 3.29Å; I531-V535 WeakPolarHBondContact O-CG2 3Å; I531-V535 PolarHBondContact O-N 3.05Å
532Y80.1Confident83.2Confident35 Ų3552.4 Ų52.414%0.13726%0.263CS..Hα-helixtrans-65.5-39.1179.4-79.5-56.7000113.5K528 G529 F534 V535 E536K528-Y532 HydrophobicContact CD-CE2 4.26Å; K528-Y532 HydrophobicContact CG-CD2 4.03Å; K528-Y532 HydrophobicContact CG-CE2 3.75Å; K528-Y532 WeakPolarHBondContact O-CD2 3.36Å; K528-Y532 PolarHBondContact O-N 3.26Å; K528-Y532 VanDerWaalsContact O-N 3.15Å; G529-Y532 PolarHBondContact O-N 3.1Å; Y532-F534 VanDerWaalsContact C-N 3.26Å; Y532-F534 PolarHBondContact O-N 3.06Å; Y532-V535 PolarHBondContact O-N 3.27Å; Y532-E536 VanDerWaalsContact O-CB 3.28Å; Y532-E536 WeakPolarHBondContact O-CB 3.46Å; Y532-E536 PolarHBondContact O-N 2.91Å
533E82.7Confident83.1Confident120 Ų12050 Ų5056%0.56125%0.25SC*.Hα-helixtrans-59.6-39.4175.2-71.5175.1-174.300111.4Y397 G529 R530 I531 A537Y397-E533 WeakPolarHBondContact OH-CB 3.23Å; Y397-E533 PolarHBondContact OH-O 3.2Å; G529-E533 WeakPolarHBondContact O-CG 3.39Å; G529-E533 PolarHBondContact O-N 3.3Å; R530-E533 PolarHBondContact O-N 2.88Å; I531-E533 PolarHBondContact O-N 3.08Å; E533-A537 PolarHBondContact O-N 3.39Å; E533-A537 VanDerWaalsContact O-N 3.16Å
534F82.5Confident83Confident3 Ų345.6 Ų45.61%0.01323%0.231CC..Hα-helixtrans-67.7-47.5177.5175.9-109.8000111.7I393 H396 Y397 L418 I419 R530 I531 Y532 E536 A537 R538I393-F534 HydrophobicContact CG1-CD1 4.08Å; I393-F534 HydrophobicContact CG1-CE1 4.36Å; I393-F534 HydrophobicContact CG1-CG 4.37Å; I393-F534 HydrophobicContact CG2-CB 3.82Å; I393-F534 HydrophobicContact CG2-CD1 4.4Å; I393-F534 HydrophobicContact CG2-CD2 4.08Å; I393-F534 HydrophobicContact CG2-CG 3.84Å; H396-F534 HydrophobicContact CB-CE2 3.82Å; H396-F534 HydrophobicContact CB-CZ 4.26Å; Y397-F534 HydrophobicContact CD2-CD2 4.4Å; Y397-F534 HydrophobicContact CE2-CB 3.87Å; Y397-F534 HydrophobicContact CE2-CD2 4.05Å; Y397-F534 HydrophobicContact CE2-CG 4.42Å; Y397-F534 VanDerWaalsContact OH-CA 3.29Å; Y397-F534 WeakPolarHBondContact OH-CA 3.04Å; Y397-F534 PolarHBondContact OH-N 3.38Å; L418-F534 HydrophobicContact CD2-CE1 4.22Å; L418-F534 HydrophobicContact CD2-CZ 4.04Å; L418-F534 HydrophobicContact CG-CE1 4.32Å; I419-F534 HydrophobicContact CD1-CE1 4.36Å; I419-F534 HydrophobicContact CG1-CD1 4.32Å; I419-F534 HydrophobicContact CG1-CE1 3.54Å; I419-F534 HydrophobicContact CG1-CZ 4.19Å; R530-F534 PolarHBondContact O-N 3.49Å; R530-F534 VanDerWaalsContact O-N 3.16Å; I531-F534 PolarHBondContact O-N 2.73Å; Y532-F534 VanDerWaalsContact C-N 3.26Å; Y532-F534 PolarHBondContact O-N 3.06Å; F534-E536 VanDerWaalsContact C-N 3.34Å; F534-E536 PolarHBondContact O-N 2.98Å; F534-A537 PolarHBondContact O-N 3.4Å; F534-R538 HydrophobicContact CE2-CG 4.34Å; F534-R538 HydrophobicContact CZ-CG 4.47Å; F534-R538 PolarHBondContact O-N 2.89Å
535V80.5Confident83.1Confident0 Ų045.6 Ų45.60%023%0.231CC..Hα-helixtrans-63.7-40.5179.2175.60000110.9I419 I531 Y532 R538 M539 A556I419-V535 HydrophobicContact CG2-CG1 4.47Å; I419-V535 HydrophobicContact CG2-CG2 4.2Å; I531-V535 HydrophobicContact CG2-CG2 4.31Å; I531-V535 VanDerWaalsContact O-CG2 3.29Å; I531-V535 WeakPolarHBondContact O-CG2 3Å; I531-V535 PolarHBondContact O-N 3.05Å; Y532-V535 PolarHBondContact O-N 3.27Å; V535-R538 CarbonylContact O-C 3.29Å; V535-R538 PolarHBondContact O-N 2.95Å; V535-M539 HydrophobicContact CG1-CE 3.62Å; V535-M539 WeakPolarHBondContact O-CB 3.45Å; V535-M539 PolarHBondContact O-N 3.17Å; V535-A556 HydrophobicContact CG1-CB 3.91Å
536E80.3Confident83.2Confident76 Ų7642.7 Ų42.736%0.35522%0.216SC..Hα-helixtrans-61.2-45176.8-175.9176.5-179.200111.8Y532 F534 R538 M539 P552 A556Y532-E536 VanDerWaalsContact O-CB 3.28Å; Y532-E536 WeakPolarHBondContact O-CB 3.46Å; Y532-E536 PolarHBondContact O-N 2.91Å; F534-E536 VanDerWaalsContact C-N 3.34Å; F534-E536 PolarHBondContact O-N 2.98Å; E536-R538 PolarHBondContact O-N 3.34Å; E536-M539 WeakPolarHBondContact O-CB 3.42Å; E536-M539 PolarHBondContact O-N 3.39Å; E536-P552 HydrophobicContact CG-CB 4.15Å; E536-A556 HydrophobicContact CB-CB 4.38Å
537A80.1Confident83.3Confident59 Ų5936.1 Ų36.149%0.48819%0.189SC..Hα-helixtrans-61.8-26.3178.500000113.1E533 F534E533-A537 PolarHBondContact O-N 3.39Å; E533-A537 VanDerWaalsContact O-N 3.16Å; F534-A537 PolarHBondContact O-N 3.4Å
538R78.8Confident83.5Confident32 Ų3240.3 Ų40.312%0.12120%0.204CC..Hα-helixtrans-103.5-6.8-178.7-59.6-64167.9163.2-13.7114.3R401 E415 I419 F534 V535 E536 A540 Y541 I542R401-R538 PolarHBondContact O-NH1 3.1Å; E415-R538 VanDerWaalsContact OE1-CD 3.22Å; E415-R538 WeakPolarHBondContact OE1-CD 3.27Å; E415-R538 IonicContact OE1-CZ 3.13Å; E415-R538 IonicContact OE1-NE 3.21Å; E415-R538 PolarHBondContact OE1-NE 3.46Å; E415-R538 IonicContact OE1-NH1 2.75Å; E415-R538 PolarHBondContact OE1-NH1 3.04Å; I419-R538 HydrophobicContact CD1-CB 3.73Å; I419-R538 HydrophobicContact CD1-CG 4.16Å; F534-R538 HydrophobicContact CE2-CG 4.34Å; F534-R538 HydrophobicContact CZ-CG 4.47Å; F534-R538 PolarHBondContact O-N 2.89Å; V535-R538 CarbonylContact O-C 3.29Å; V535-R538 PolarHBondContact O-N 2.95Å; E536-R538 PolarHBondContact O-N 3.34Å; R538-A540 VanDerWaalsContact C-N 3.27Å; R538-A540 PolarHBondContact O-N 2.85Å; R538-Y541 WeakPolarHBondContact O-CB 3.39Å; R538-Y541 PolarHBondContact O-N 2.66Å; R538-I542 PolarHBondContact O-N 3Å
539M80.9Confident83.8Confident0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-61.3-33.4-174.1-169.444.771.200113.3V535 E536 Y541 I542 A543 S547 P552 A555 A556 M559V535-M539 HydrophobicContact CG1-CE 3.62Å; V535-M539 WeakPolarHBondContact O-CB 3.45Å; V535-M539 PolarHBondContact O-N 3.17Å; E536-M539 WeakPolarHBondContact O-CB 3.42Å; E536-M539 PolarHBondContact O-N 3.39Å; M539-Y541 PolarHBondContact O-N 3.49Å; M539-I542 PolarHBondContact O-N 3.36Å; M539-A543 PolarHBondContact O-N 3.37Å; M539-A543 HydrophobicContact SD-CB 3.86Å; M539-S547 WeakPolarHBondContact CG-OG 3.36Å; M539-S547 PolarHBondContact O-OG 3.1Å; M539-P552 HydrophobicContact CB-CB 4.2Å; M539-P552 HydrophobicContact CG-CB 4.43Å; M539-A555 HydrophobicContact CG-CB 3.62Å; M539-A555 HydrophobicContact SD-CB 3.93Å; M539-A556 VanDerWaalsContact CE-CA 3.44Å; M539-A556 HydrophobicContact CE-CB 4.01Å; M539-M559 HydrophobicContact CE-CB 4.08Å; M539-M559 HydrophobicContact CE-CE 3.41Å; M539-M559 VanDerWaalsContact CE-CE 3.41Å; M539-M559 HydrophobicContact CE-CG 4.48Å; M539-M559 HydrophobicContact CE-SD 3.59Å; M539-M559 VanDerWaalsContact CE-SD 3.59Å; M539-M559 HydrophobicContact SD-CE 3.37Å; M539-M559 WeakPolarHBondContact SD-CE 3.36Å; M539-M559 HydrophobicContact SD-SD 4.34Å
540A78.6Confident84.2Confident61 Ų6138 Ų3850%0.50419%0.186SC..Hα-helixtrans-61.4-26.7176.100000113.4R538R538-A540 VanDerWaalsContact C-N 3.27Å; R538-A540 PolarHBondContact O-N 2.85Å
541Y77Confident84.4Confident131 Ų13133.1 Ų33.151%0.51418%0.175SC..Hα-helixtrans-87-36.2177.8-60.3-71.5000112.4A403 R538 M539A403-Y541 HydrophobicContact CB-CD1 4.32Å; A403-Y541 HydrophobicContact CB-CE1 3.88Å; R538-Y541 WeakPolarHBondContact O-CB 3.39Å; R538-Y541 PolarHBondContact O-N 2.66Å; M539-Y541 PolarHBondContact O-N 3.49Å
542I78.4Confident84.5Confident10 Ų1035.9 Ų35.95%0.05119%0.193CC..Hα-helixtrans-80.7-49.2-174.8-61.7165.4000111.9Y416 I419 R538 M539 P544 M559Y416-I542 HydrophobicContact CD2-CG1 4.46Å; Y416-I542 HydrophobicContact CD2-CG2 4.37Å; Y416-I542 HydrophobicContact CE2-CG2 3.93Å; I419-I542 HydrophobicContact CB-CD1 4.19Å; I419-I542 HydrophobicContact CD1-CD1 3.39Å; I419-I542 HydrophobicContact CD1-CG1 4.32Å; I419-I542 HydrophobicContact CG1-CD1 4.27Å; I419-I542 HydrophobicContact CG2-CD1 3.59Å; R538-I542 PolarHBondContact O-N 3Å; M539-I542 PolarHBondContact O-N 3.36Å; I542-P544 VanDerWaalsContact C-CD 3.48Å; I542-P544 WeakPolarHBondContact O-CD 3.31Å; I542-M559 HydrophobicContact CG2-CE 3.85Å; I542-M559 HydrophobicContact CG2-SD 4.26Å
543A85Confident84.7Confident0 Ų038.8 Ų38.80%021%0.208CC..  trans-129.669.3-174.700000109.6M539 N545 L546 S547 M559 I565 D633M539-A543 PolarHBondContact O-N 3.37Å; M539-A543 HydrophobicContact SD-CB 3.86Å; A543-N545 VanDerWaalsContact C-N 3.29Å; A543-N545 PolarHBondContact O-N 3.23Å; A543-L546 HydrophobicContact CB-CB 3.98Å; A543-L546 HydrophobicContact CB-CD2 4.44Å; A543-L546 PolarHBondContact O-N 3.21Å; A543-S547 WeakPolarHBondContact O-CB 3.46Å; A543-S547 PolarHBondContact O-N 2.66Å; A543-S547 PolarHBondContact O-OG 2.93Å; A543-M559 HydrophobicContact CB-CE 3.77Å; A543-I565 HydrophobicContact CB-CD1 4.18Å; A543-D633 WeakPolarHBondContact CA-OD2 3.38Å; A543-D633 HydrophobicContact CB-CB 4.24Å; A543-D633 WeakPolarHBondContact CB-OD2 3.34Å
544P87.7Confident84.9Confident21 Ų2134.1 Ų34.114%0.13619%0.187CC..Hα-helixtrans-62.2-36.1-175.623.7-33000112I542 Y548I542-P544 VanDerWaalsContact C-CD 3.48Å; I542-P544 WeakPolarHBondContact O-CD 3.31Å; P544-Y548 WeakPolarHBondContact O-CB 3.49Å; P544-Y548 PolarHBondContact O-N 3.25Å
545N91.5Very high85.2Confident0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-75.3-43.5-178.5-61.1-68.6000111.5A543 Y548 V549 A629 D633 Y638 S641 G644A543-N545 VanDerWaalsContact C-N 3.29Å; A543-N545 PolarHBondContact O-N 3.23Å; N545-Y548 PolarHBondContact O-N 2.7Å; N545-V549 WeakPolarHBondContact O-CG2 3.07Å; N545-V549 PolarHBondContact O-N 3.34Å; N545-A629 HydrophobicContact CB-CB 4.25Å; N545-D633 WeakPolarHBondContact CB-OD1 3.49Å; N545-D633 PolarHBondContact N-OD1 3.2Å; N545-D633 VanDerWaalsContact N-OD1 3.16Å; N545-D633 PolarHBondContact N-OD2 3.25Å; N545-D633 PolarHBondContact ND2-OD1 2.85Å; N545-Y638 PolarHBondContact ND2-O 2.87Å; N545-S641 VanDerWaalsContact OD1-CA 3.31Å; N545-S641 WeakPolarHBondContact OD1-CA 3.44Å; N545-G644 PolarHBondContact OD1-N 3.02Å
546L91.2Very high85.3Confident0 Ų034.1 Ų34.10%019%0.187CC..Hα-helixtrans-63.7-45.8176.3-177.563.6000111.4A543 Y548 V549 V550 A555 I565 L568 C626 A629 D633A543-L546 HydrophobicContact CB-CB 3.98Å; A543-L546 HydrophobicContact CB-CD2 4.44Å; A543-L546 PolarHBondContact O-N 3.21Å; L546-Y548 PolarHBondContact O-N 2.84Å; L546-V549 PolarHBondContact O-N 3.44Å; L546-V550 HydrophobicContact CD1-CG2 4.13Å; L546-V550 HydrophobicContact CG-CG2 4.23Å; L546-V550 WeakPolarHBondContact O-CG2 3.01Å; L546-V550 PolarHBondContact O-N 3.26Å; L546-A555 HydrophobicContact CD2-CB 4.05Å; L546-A555 HydrophobicContact CG-CB 3.99Å; L546-I565 HydrophobicContact CD2-CD1 4.4Å; L546-L568 HydrophobicContact CD2-CD2 3.59Å; L546-C626 HydrophobicContact CD1-CB 3.89Å; L546-A629 HydrophobicContact CB-CB 4.43Å; L546-D633 WeakPolarHBondContact CB-OD2 3.49Å; L546-D633 PolarHBondContact N-OD2 3.36Å
547S90.5Very high85.5Confident14 Ų1433.6 Ų33.610%0.09818%0.184CC..Hα-helixtrans-56.9-38.3177.6-62.30000112.2M539 A543 V549 G551M539-S547 WeakPolarHBondContact CG-OG 3.36Å; M539-S547 PolarHBondContact O-OG 3.1Å; A543-S547 WeakPolarHBondContact O-CB 3.46Å; A543-S547 PolarHBondContact O-N 2.66Å; A543-S547 PolarHBondContact O-OG 2.93Å; S547-V549 VanDerWaalsContact C-N 3.33Å; S547-V549 PolarHBondContact O-N 3.44Å; S547-G551 CarbonylContact O-C 3.57Å; S547-G551 WeakPolarHBondContact O-CA 3.3Å; S547-G551 PolarHBondContact O-N 2.74Å
548Y91.3Very high85.8Confident97 Ų9730.8 Ų30.838%0.3816%0.161SC..Hα-helixtrans-67.9-32.8177.9-163.8-87.3000112.8P544 N545 L546 R645 A648P544-Y548 WeakPolarHBondContact O-CB 3.49Å; P544-Y548 PolarHBondContact O-N 3.25Å; N545-Y548 PolarHBondContact O-N 2.7Å; L546-Y548 PolarHBondContact O-N 2.84Å; Y548-R645 HydrophobicContact CD1-CB 4.4Å; Y548-R645 HydrophobicContact CE1-CB 3.98Å; Y548-R645 HydrophobicContact CE1-CG 4Å; Y548-A648 HydrophobicContact CD1-CB 3.91Å; Y548-A648 HydrophobicContact CE1-CB 3.86Å
549V91.6Very high86.1Confident4 Ų429.4 Ų29.42%0.02416%0.156CC..Hα-helixtrans-79.6-46.8-177.8177.80000111.9N545 L546 S547 L606 A629 L647 I651N545-V549 WeakPolarHBondContact O-CG2 3.07Å; N545-V549 PolarHBondContact O-N 3.34Å; L546-V549 PolarHBondContact O-N 3.44Å; S547-V549 VanDerWaalsContact C-N 3.33Å; S547-V549 PolarHBondContact O-N 3.44Å; V549-L606 WeakPolarHBondContact O-CD1 3.39Å; V549-A629 HydrophobicContact CG2-CB 4.46Å; V549-L647 HydrophobicContact CG2-CB 4.3Å; V549-I651 HydrophobicContact CG1-CD1 3.82Å
550V90.2Very high85.9Confident7 Ų729.6 Ų29.64%0.04216%0.158CC..Hα-helixtrans-109-13.9-173.9-67.90000115.4L546 I554 A555 L558 T604 V622 C626L546-V550 HydrophobicContact CD1-CG2 4.13Å; L546-V550 HydrophobicContact CG-CG2 4.23Å; L546-V550 WeakPolarHBondContact O-CG2 3.01Å; L546-V550 PolarHBondContact O-N 3.26Å; V550-I554 HydrophobicContact CB-CB 4.12Å; V550-I554 HydrophobicContact CB-CG2 3.94Å; V550-I554 HydrophobicContact CG2-CB 4.22Å; V550-I554 HydrophobicContact CG2-CG2 4.1Å; V550-A555 HydrophobicContact CG2-CB 4.01Å; V550-L558 HydrophobicContact CG2-CD1 4.5Å; V550-T604 HydrophobicContact CB-CG2 4.25Å; V550-T604 HydrophobicContact CG1-CG2 4.36Å; V550-V622 HydrophobicContact CG1-CG1 4.13Å; V550-C626 WeakPolarHBondContact CG1-SG 3.33Å
551G88.6Confident85.9Confident25 Ų2529.4 Ų29.426%0.25815%0.15SC..  trans91.7151.5-168.600000112.5S547 E553 I554 A555S547-G551 CarbonylContact O-C 3.57Å; S547-G551 WeakPolarHBondContact O-CA 3.3Å; S547-G551 PolarHBondContact O-N 2.74Å; G551-E553 PolarHBondContact O-N 2.89Å; G551-I554 PolarHBondContact O-N 3.16Å; G551-A555 WeakPolarHBondContact O-CB 3Å; G551-A555 PolarHBondContact O-N 3.07Å
552P86.5Confident86.1Confident58 Ų5824 Ų2438%0.37713%0.133SC..Hα-helixtrans-62.8-38.5-174.825.3-34.3000112.8E536 M539 I554 A555 A556E536-P552 HydrophobicContact CG-CB 4.15Å; M539-P552 HydrophobicContact CB-CB 4.2Å; M539-P552 HydrophobicContact CG-CB 4.43Å; P552-I554 PolarHBondContact O-N 3.28Å; P552-A555 PolarHBondContact O-N 3.13Å; P552-A556 WeakPolarHBondContact O-CB 3.5Å; P552-A556 PolarHBondContact O-N 3.02Å
553E84.2Confident85.8Confident97 Ų9725.6 Ų25.645%0.45315%0.151SC..Hα-helixtrans-58.9-47.1178.2-167.4-163.6154.700112.4G551 K557G551-E553 PolarHBondContact O-N 2.89Å; E553-K557 WeakPolarHBondContact O-CG 3.43Å; E553-K557 PolarHBondContact O-N 2.91Å; E553-K557 VanDerWaalsContact O-N 3.16Å; E553-K557 IonicContact OE1-NZ 3.69Å; E553-K557 PolarHBondContact OE1-NZ 3.27Å
554I87.7Confident85.5Confident22 Ų2225.9 Ų25.911%0.11316%0.155CC..Hα-helixtrans-75.9-35-179.1-64.1179.7000110.5V550 G551 P552 A556 K557 L558 T604V550-I554 HydrophobicContact CB-CB 4.12Å; V550-I554 HydrophobicContact CB-CG2 3.94Å; V550-I554 HydrophobicContact CG2-CB 4.22Å; V550-I554 HydrophobicContact CG2-CG2 4.1Å; G551-I554 PolarHBondContact O-N 3.16Å; P552-I554 PolarHBondContact O-N 3.28Å; I554-A556 VanDerWaalsContact C-N 3.35Å; I554-K557 PolarHBondContact O-N 2.87Å; I554-L558 HydrophobicContact CG2-CD1 3.91Å; I554-L558 HydrophobicContact CG2-CG 4.21Å; I554-L558 WeakPolarHBondContact O-CB 3.15Å; I554-L558 VanDerWaalsContact O-CG 3.3Å; I554-L558 WeakPolarHBondContact O-CG 3.45Å; I554-L558 PolarHBondContact O-N 2.91Å; I554-T604 VanDerWaalsContact CD1-CA 3.44Å; I554-T604 HydrophobicContact CD1-CG2 4.21Å; I554-T604 VanDerWaalsContact CD1-OG1 3.26Å; I554-T604 WeakPolarHBondContact CD1-OG1 3.43Å
555A88.3Confident85.3Confident0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-61.8-42.5173.800000111.6M539 L546 V550 G551 P552 L558 M559M539-A555 HydrophobicContact CG-CB 3.62Å; M539-A555 HydrophobicContact SD-CB 3.93Å; L546-A555 HydrophobicContact CD2-CB 4.05Å; L546-A555 HydrophobicContact CG-CB 3.99Å; V550-A555 HydrophobicContact CG2-CB 4.01Å; G551-A555 WeakPolarHBondContact O-CB 3Å; G551-A555 PolarHBondContact O-N 3.07Å; P552-A555 PolarHBondContact O-N 3.13Å; A555-L558 PolarHBondContact O-N 3.22Å; A555-M559 VanDerWaalsContact O-CB 3.27Å; A555-M559 WeakPolarHBondContact O-CB 3.39Å; A555-M559 PolarHBondContact O-N 2.89Å
556A84Confident84.9Confident2 Ų227.4 Ų27.42%0.01716%0.163CC..Hα-helixtrans-60-46.4173.400000112.2V535 E536 M539 P552 I554 M559 G560V535-A556 HydrophobicContact CG1-CB 3.91Å; E536-A556 HydrophobicContact CB-CB 4.38Å; M539-A556 VanDerWaalsContact CE-CA 3.44Å; M539-A556 HydrophobicContact CE-CB 4.01Å; P552-A556 WeakPolarHBondContact O-CB 3.5Å; P552-A556 PolarHBondContact O-N 3.02Å; I554-A556 VanDerWaalsContact C-N 3.35Å; A556-M559 PolarHBondContact O-N 3.06Å; A556-G560 PolarHBondContact O-N 2.99Å
557K83.9Confident84.6Confident65 Ų6530.7 Ų30.728%0.28318%0.179SC..Hα-helixtrans-63.7-42.4177.3-70.6170.9-177.8172.30112.6E553 I554 T561 Y600E553-K557 WeakPolarHBondContact O-CG 3.43Å; E553-K557 PolarHBondContact O-N 2.91Å; E553-K557 VanDerWaalsContact O-N 3.16Å; E553-K557 IonicContact OE1-NZ 3.69Å; E553-K557 PolarHBondContact OE1-NZ 3.27Å; I554-K557 PolarHBondContact O-N 2.87Å; K557-T561 WeakPolarHBondContact O-CG2 3.42Å; K557-T561 PolarHBondContact O-N 2.98Å; K557-T561 PolarHBondContact O-OG1 2.95Å; K557-T561 VanDerWaalsContact O-OG1 3.08Å; K557-Y600 HydrophobicContact CB-CD2 4.02Å; K557-Y600 HydrophobicContact CB-CE2 3.99Å; K557-Y600 HydrophobicContact CB-CG 4.37Å; K557-Y600 HydrophobicContact CD-CD1 4.45Å; K557-Y600 HydrophobicContact CD-CE1 4.4Å
558L86.4Confident84.5Confident0 Ų030 Ų300%017%0.174CC..Hα-helixtrans-67.5-43.1177.9-73.8171.9000112.3V550 I554 A555 T561 A562 L568 L576 L579 Y600 V601V550-L558 HydrophobicContact CG2-CD1 4.5Å; I554-L558 HydrophobicContact CG2-CD1 3.91Å; I554-L558 HydrophobicContact CG2-CG 4.21Å; I554-L558 WeakPolarHBondContact O-CB 3.15Å; I554-L558 VanDerWaalsContact O-CG 3.3Å; I554-L558 WeakPolarHBondContact O-CG 3.45Å; I554-L558 PolarHBondContact O-N 2.91Å; A555-L558 PolarHBondContact O-N 3.22Å; L558-T561 PolarHBondContact O-OG1 2.95Å; L558-A562 VanDerWaalsContact O-CB 3.23Å; L558-A562 WeakPolarHBondContact O-CB 3.14Å; L558-A562 PolarHBondContact O-N 3.2Å; L558-A562 VanDerWaalsContact O-N 3.07Å; L558-L568 HydrophobicContact CB-CD1 4.34Å; L558-L568 HydrophobicContact CB-CD2 4.23Å; L558-L576 HydrophobicContact CD2-CG 4.37Å; L558-L579 HydrophobicContact CD2-CB 4.1Å; L558-L579 HydrophobicContact CD2-CD1 4.15Å; L558-Y600 HydrophobicContact CD2-CD2 4.22Å; L558-V601 HydrophobicContact CD1-CG2 4.18Å; L558-V601 HydrophobicContact CD2-CG2 4.38Å
559M83.8Confident84.4Confident4 Ų426 Ų262%0.0216%0.16CC..Hα-helixtrans-67.2-40.7177.6-171.1-175.9-63.700111.3M539 I542 A543 A555 A556 A562 G563 G564 I565M539-M559 HydrophobicContact CE-CB 4.08Å; M539-M559 HydrophobicContact CE-CE 3.41Å; M539-M559 VanDerWaalsContact CE-CE 3.41Å; M539-M559 HydrophobicContact CE-CG 4.48Å; M539-M559 HydrophobicContact CE-SD 3.59Å; M539-M559 VanDerWaalsContact CE-SD 3.59Å; M539-M559 HydrophobicContact SD-CE 3.37Å; M539-M559 WeakPolarHBondContact SD-CE 3.36Å; M539-M559 HydrophobicContact SD-SD 4.34Å; I542-M559 HydrophobicContact CG2-CE 3.85Å; I542-M559 HydrophobicContact CG2-SD 4.26Å; A543-M559 HydrophobicContact CB-CE 3.77Å; A555-M559 VanDerWaalsContact O-CB 3.27Å; A555-M559 WeakPolarHBondContact O-CB 3.39Å; A555-M559 PolarHBondContact O-N 2.89Å; A556-M559 PolarHBondContact O-N 3.06Å; M559-A562 PolarHBondContact O-N 3.12Å; M559-G563 PolarHBondContact O-N 3.28Å; M559-G564 PolarHBondContact O-N 2.72Å; M559-I565 HydrophobicContact CE-CB 4.04Å; M559-I565 HydrophobicContact CE-CD1 4.08Å; M559-I565 HydrophobicContact CE-CG1 4.45Å
560G77Confident84.3Confident4 Ų427.1 Ų27.14%0.04117%0.165CC..Hα-helixtrans-62.3-49176.500000112.3A556 A562 G563A556-G560 PolarHBondContact O-N 2.99Å; G560-A562 VanDerWaalsContact C-N 3.32Å; G560-A562 PolarHBondContact O-N 2.9Å; G560-G563 PolarHBondContact O-N 3.19Å
561T79.2Confident84.4Confident57 Ų5728.4 Ų28.435%0.3517%0.171SC..Hα-helixtrans-71.7-24.217957.10000114.2K557 L558 Y600K557-T561 WeakPolarHBondContact O-CG2 3.42Å; K557-T561 PolarHBondContact O-N 2.98Å; K557-T561 PolarHBondContact O-OG1 2.95Å; K557-T561 VanDerWaalsContact O-OG1 3.08Å; L558-T561 PolarHBondContact O-OG1 2.95Å; T561-Y600 HydrophobicContact CG2-CE2 3.79Å
562A80.3Confident84.6Confident17 Ų1728.5 Ų28.514%0.1417%0.167CC..Hα-helixtrans-82-18.2173.800000113.5L558 M559 G560 Q567 L568 I571L558-A562 VanDerWaalsContact O-CB 3.23Å; L558-A562 WeakPolarHBondContact O-CB 3.14Å; L558-A562 PolarHBondContact O-N 3.2Å; L558-A562 VanDerWaalsContact O-N 3.07Å; M559-A562 PolarHBondContact O-N 3.12Å; G560-A562 VanDerWaalsContact C-N 3.32Å; G560-A562 PolarHBondContact O-N 2.9Å; A562-Q567 WeakPolarHBondContact O-CB 3.38Å; A562-L568 HydrophobicContact CB-CB 3.76Å; A562-L568 HydrophobicContact CB-CD1 3.74Å; A562-L568 HydrophobicContact CB-CG 4.34Å; A562-I571 HydrophobicContact CB-CD1 3.57Å
563G73.3Confident84.8Confident43 Ų4326.4 Ų26.444%0.44316%0.155SC..THydrogen-bonded Turntrans83.825.8-17600000114.7M559 G560M559-G563 PolarHBondContact O-N 3.28Å; G560-G563 PolarHBondContact O-N 3.19Å
564G77.7Confident85.1Confident7 Ų725.3 Ų25.37%0.07216%0.157CC..SBendtrans125.1168.6177.400000114.3M559 L568M559-G564 PolarHBondContact O-N 2.72Å; G564-L568 WeakPolarHBondContact O-CB 3.35Å; G564-L568 PolarHBondContact O-N 3.12Å
565I83.7Confident85.2Confident1 Ų128.1 Ų28.11%0.00517%0.172CC..Hα-helixtrans-68.1-37.2-176.9-168.559000112.3Y416 A543 L546 M559 L568 S569 A630 D633 A634Y416-I565 WeakPolarHBondContact OH-CG2 3.39Å; A543-I565 HydrophobicContact CB-CD1 4.18Å; L546-I565 HydrophobicContact CD2-CD1 4.4Å; M559-I565 HydrophobicContact CE-CB 4.04Å; M559-I565 HydrophobicContact CE-CD1 4.08Å; M559-I565 HydrophobicContact CE-CG1 4.45Å; I565-L568 HydrophobicContact CD1-CD2 4.29Å; I565-L568 PolarHBondContact O-N 3.2Å; I565-S569 PolarHBondContact O-N 3.38Å; I565-A630 HydrophobicContact CD1-CB 4.04Å; I565-D633 HydrophobicContact CD1-CB 4.12Å; I565-D633 HydrophobicContact CG1-CB 4.13Å; I565-A634 HydrophobicContact CG1-CB 4.48Å
566T84.2Confident85.2Confident51 Ų5128.1 Ų28.131%0.31317%0.172SC..Hα-helixtrans-61.7-52.9177.3-46.90000109.5L568 S569 K570T566-L568 VanDerWaalsContact C-N 3.32Å; T566-L568 PolarHBondContact O-N 2.92Å; T566-S569 WeakPolarHBondContact O-CB 3.06Å; T566-S569 PolarHBondContact O-N 3.24Å; T566-S569 VanDerWaalsContact O-N 3.08Å; T566-S569 PolarHBondContact O-OG 3.19Å; T566-K570 WeakPolarHBondContact O-CG 3.45Å; T566-K570 PolarHBondContact O-N 3.45Å
567Q84.6Confident85.5Confident70 Ų7029.1 Ų29.133%0.32718%0.177SC..Hα-helixtrans-61.1-38.9176.4-60.8-61.5-26.100112.1A562 S569 K570 I571A562-Q567 WeakPolarHBondContact O-CB 3.38Å; Q567-S569 VanDerWaalsContact C-N 3.29Å; Q567-S569 PolarHBondContact O-N 2.82Å; Q567-K570 WeakPolarHBondContact O-CA 3.14Å; Q567-K570 WeakPolarHBondContact O-CB 3.47Å; Q567-K570 PolarHBondContact O-N 2.75Å; Q567-I571 WeakPolarHBondContact O-CG1 3.3Å; Q567-I571 PolarHBondContact O-N 2.82Å
568L87.9Confident85.7Confident0 Ų028.4 Ų28.40%018%0.178CC..Hα-helixtrans-62.5-35.6175-173.863.7000112.5L546 L558 A562 G564 I565 T566 K570 I571 L576 L579 A630L546-L568 HydrophobicContact CD2-CD2 3.59Å; L558-L568 HydrophobicContact CB-CD1 4.34Å; L558-L568 HydrophobicContact CB-CD2 4.23Å; A562-L568 HydrophobicContact CB-CB 3.76Å; A562-L568 HydrophobicContact CB-CD1 3.74Å; A562-L568 HydrophobicContact CB-CG 4.34Å; G564-L568 WeakPolarHBondContact O-CB 3.35Å; G564-L568 PolarHBondContact O-N 3.12Å; I565-L568 HydrophobicContact CD1-CD2 4.29Å; I565-L568 PolarHBondContact O-N 3.2Å; T566-L568 VanDerWaalsContact C-N 3.32Å; T566-L568 PolarHBondContact O-N 2.92Å; L568-K570 PolarHBondContact O-N 3.18Å; L568-I571 HydrophobicContact CD1-CD1 4.46Å; L568-I571 PolarHBondContact O-N 3.2Å; L568-L576 HydrophobicContact CD1-CD1 3.79Å; L568-L576 HydrophobicContact CG-CD1 4.49Å; L568-L579 HydrophobicContact CD1-CD1 4.36Å; L568-A630 HydrophobicContact CD2-CB 4.11Å; L568-A630 HydrophobicContact CG-CB 4.06Å
569S90.1Very high85.6Confident13 Ų1330.1 Ų30.19%0.09119%0.187CC..Hα-helixtrans-66.1-25.5175.383.80000113I565 T566 Q567 R631I565-S569 PolarHBondContact O-N 3.38Å; T566-S569 WeakPolarHBondContact O-CB 3.06Å; T566-S569 PolarHBondContact O-N 3.24Å; T566-S569 VanDerWaalsContact O-N 3.08Å; T566-S569 PolarHBondContact O-OG 3.19Å; Q567-S569 VanDerWaalsContact C-N 3.29Å; Q567-S569 PolarHBondContact O-N 2.82Å; S569-R631 PolarHBondContact O-NE 2.85Å
570K89.7Confident85.3Confident26 Ų2630.9 Ų30.911%0.11320%0.196CC..Hα-helixtrans-74.2-30176.5-54.9-172.5171.8-154.70113.5I350 S351 D352 T566 Q567 L568I350-K570 HydrophobicContact CB-CB 3.49Å; I350-K570 VanDerWaalsContact CB-CB 3.49Å; I350-K570 HydrophobicContact CB-CD 3.48Å; I350-K570 VanDerWaalsContact CB-CD 3.48Å; I350-K570 HydrophobicContact CB-CG 3.33Å; I350-K570 VanDerWaalsContact CD1-CA 3.49Å; I350-K570 HydrophobicContact CD1-CB 3.74Å; I350-K570 HydrophobicContact CD1-CD 4.4Å; I350-K570 HydrophobicContact CD1-CG 3.42Å; I350-K570 VanDerWaalsContact CD1-CG 3.42Å; I350-K570 VanDerWaalsContact CG1-CA 3.49Å; I350-K570 HydrophobicContact CG1-CB 3.45Å; I350-K570 VanDerWaalsContact CG1-CB 3.45Å; I350-K570 HydrophobicContact CG1-CD 4.2Å; I350-K570 HydrophobicContact CG1-CG 3.48Å; I350-K570 VanDerWaalsContact CG1-CG 3.48Å; I350-K570 HydrophobicContact CG2-CB 4.21Å; I350-K570 HydrophobicContact CG2-CD 3.21Å; I350-K570 HydrophobicContact CG2-CG 3.46Å; I350-K570 VanDerWaalsContact CG2-CG 3.46Å; I350-K570 VanDerWaalsContact CG2-NZ 3.34Å; S351-K570 PolarHBondContact O-NZ 3.38Å; D352-K570 PolarHBondContact O-NZ 3.37Å; T566-K570 WeakPolarHBondContact O-CG 3.45Å; T566-K570 PolarHBondContact O-N 3.45Å; Q567-K570 WeakPolarHBondContact O-CA 3.14Å; Q567-K570 WeakPolarHBondContact O-CB 3.47Å; Q567-K570 PolarHBondContact O-N 2.75Å; L568-K570 PolarHBondContact O-N 3.18Å
571I90.8Very high85.2Confident34 Ų3432.9 Ų32.917%0.17421%0.212CC..SBendtrans-74127.8-174.2-65.2171.1000110.8A562 Q567 L568 N575 L576 L579 T627A562-I571 HydrophobicContact CB-CD1 3.57Å; Q567-I571 WeakPolarHBondContact O-CG1 3.3Å; Q567-I571 PolarHBondContact O-N 2.82Å; L568-I571 HydrophobicContact CD1-CD1 4.46Å; L568-I571 PolarHBondContact O-N 3.2Å; I571-N575 HydrophobicContact CG2-CB 3.62Å; I571-L576 HydrophobicContact CG2-CB 4.32Å; I571-L579 HydrophobicContact CD1-CD1 4.12Å; I571-L579 HydrophobicContact CG2-CD1 4.46Å; I571-T627 WeakPolarHBondContact O-CG2 3.47Å
572P92.9Very high84.5Confident27 Ų2735.6 Ų35.618%0.17522%0.221CC..  trans-69.5155.8176.529.7-35.6000111.6C574 N575 L576P572-C574 PolarHBondContact O-N 3.11Å; P572-C574 VanDerWaalsContact O-N 3.13Å; P572-N575 HydrophobicContact CG-CB 4.12Å; P572-N575 PolarHBondContact O-N 3.5Å; P572-L576 PolarHBondContact O-N 2.8Å; P572-L576 VanDerWaalsContact O-N 3.09Å
573A91.5Very high83.5Confident14 Ų1442.2 Ų42.212%0.11625%0.246CC..Hα-helixtrans-59.6-29.1-174.400000114.5L346 L577 A624 T627L346-A573 HydrophobicContact CD2-CB 4.48Å; A573-L577 PolarHBondContact O-N 2.88Å; A573-A624 HydrophobicContact CB-CB 4.08Å; A573-T627 WeakPolarHBondContact CA-OG1 3.45Å
574C90.6Very high82.6Confident74 Ų7448.5 Ų48.550%0.526%0.256SS..Hα-helixtrans-66-39.1175.750.40000112.2P572 L577P572-C574 PolarHBondContact O-N 3.11Å; P572-C574 VanDerWaalsContact O-N 3.13Å; C574-L577 WeakPolarHBondContact O-CB 3.31Å
575N90.2Very high81.3Confident82 Ų8251.1 Ų51.144%0.43928%0.278SS..Hα-helixtrans-76.3-38.1178.8-70.1-1.1000110.9I571 P572 L577 V578 L579I571-N575 HydrophobicContact CG2-CB 3.62Å; P572-N575 HydrophobicContact CG-CB 4.12Å; P572-N575 PolarHBondContact O-N 3.5Å; N575-L577 PolarHBondContact O-N 2.69Å; N575-V578 WeakPolarHBondContact O-CG2 3.05Å; N575-V578 PolarHBondContact O-N 2.84Å; N575-L579 PolarHBondContact O-N 3.35Å; N575-L579 VanDerWaalsContact O-N 3.12Å
576L88.7Confident79.7Confident0 Ų056 Ų560%030%0.303CS..Hα-helixtrans-60-28.8176-166.2146.7000112.6L558 L568 I571 P572 V578 L579 V601 A623 C626L558-L576 HydrophobicContact CD2-CG 4.37Å; L568-L576 HydrophobicContact CD1-CD1 3.79Å; L568-L576 HydrophobicContact CG-CD1 4.49Å; I571-L576 HydrophobicContact CG2-CB 4.32Å; P572-L576 PolarHBondContact O-N 2.8Å; P572-L576 VanDerWaalsContact O-N 3.09Å; L576-V578 VanDerWaalsContact C-N 3.34Å; L576-V578 PolarHBondContact O-N 3.48Å; L576-L579 HydrophobicContact CB-CD1 4.49Å; L576-L579 HydrophobicContact CG-CD1 4.35Å; L576-V601 HydrophobicContact CD2-CG2 3.5Å; L576-V601 VanDerWaalsContact CD2-CG2 3.5Å; L576-A623 HydrophobicContact CD2-CB 3.89Å; L576-C626 HydrophobicContact CD1-CB 4.44Å; L576-C626 HydrophobicContact CD2-CB 4.03Å
577L89.7Confident78Confident22 Ų2256.1 Ų56.112%0.11531%0.306CS..Hα-helixtrans-65.4-33.7174.4-177.669.2000113.3A573 C574 N575 H597 G599 A619 R620 A623A573-L577 PolarHBondContact O-N 2.88Å; C574-L577 WeakPolarHBondContact O-CB 3.31Å; N575-L577 PolarHBondContact O-N 2.69Å; L577-H597 HydrophobicContact CD2-CB 4.46Å; L577-G599 WeakPolarHBondContact O-CA 3.43Å; L577-G599 PolarHBondContact O-N 3.37Å; L577-G599 VanDerWaalsContact O-N 3.13Å; L577-A619 HydrophobicContact CD1-CB 3.61Å; L577-R620 HydrophobicContact CD2-CG 3.87Å; L577-A623 HydrophobicContact CB-CB 4.27Å; L577-A623 HydrophobicContact CD1-CB 4.49Å
578V87.4Confident76.4Confident51 Ų5155.1 Ų55.131%0.30932%0.315SS..Hα-helixtrans-96.3-7.4-177.5-69.80000113.4N575 L576 G580 A581 H597N575-V578 WeakPolarHBondContact O-CG2 3.05Å; N575-V578 PolarHBondContact O-N 2.84Å; L576-V578 VanDerWaalsContact C-N 3.34Å; L576-V578 PolarHBondContact O-N 3.48Å; V578-G580 PolarHBondContact O-N 3.15Å; V578-A581 HydrophobicContact CB-CB 4.5Å; V578-A581 WeakPolarHBondContact O-CB 3.42Å; V578-A581 PolarHBondContact O-N 3.32Å; V578-H597 HydrophobicContact CG1-CB 3.65Å
579L84.4Confident74.5Confident36 Ų3666 Ų6619%0.18836%0.362CS..THydrogen-bonded Turntrans-59.1123173.5-71.7179.5000110.7L558 L568 I571 N575 L576 G599 Y600L558-L579 HydrophobicContact CD2-CB 4.1Å; L558-L579 HydrophobicContact CD2-CD1 4.15Å; L568-L579 HydrophobicContact CD1-CD1 4.36Å; I571-L579 HydrophobicContact CD1-CD1 4.12Å; I571-L579 HydrophobicContact CG2-CD1 4.46Å; N575-L579 PolarHBondContact O-N 3.35Å; N575-L579 VanDerWaalsContact O-N 3.12Å; L576-L579 HydrophobicContact CB-CD1 4.49Å; L576-L579 HydrophobicContact CG-CD1 4.35Å; L579-G599 CarbonylContact O-C 3.51Å; L579-G599 WeakPolarHBondContact O-CA 3.41Å; L579-Y600 PolarHBondContact O-N 3.08Å
580G77.5Confident72.5Confident20 Ų2068.3 Ų68.321%0.20638%0.379CS..THydrogen-bonded Turntrans82.610-174.200000114.9V578 H582V578-G580 PolarHBondContact O-N 3.15Å; G580-H582 PolarHBondContact O-CD2 3.47Å; G580-H582 VanDerWaalsContact O-CD2 3.23Å; G580-H582 PolarHBondContact O-N 3.44Å
581A75.4Confident70.6Confident46 Ų4673.8 Ų73.838%0.3842%0.415SS..  trans-72.1113.717500000110.9V578 T598V578-A581 HydrophobicContact CB-CB 4.5Å; V578-A581 WeakPolarHBondContact O-CB 3.42Å; V578-A581 PolarHBondContact O-N 3.32Å; A581-T598 WeakPolarHBondContact CA-O 3.41Å
582H65.1Low68.5Low114 Ų11476.8 Ų76.853%0.52844%0.435SS..  trans-86.7136.4176.7-65.5-82.7000111.6M457 G580 R584M457-H582 HydrophobicContact SD-CB 4.28Å; G580-H582 PolarHBondContact O-CD2 3.47Å; G580-H582 VanDerWaalsContact O-CD2 3.23Å; G580-H582 PolarHBondContact O-N 3.44Å; H582-R584 PolarHBondContact O-N 3.46Å
583K57.7Low66.6Low155 Ų15581.2 Ų81.267%0.67446%0.461SS*.  trans-71.691.9168.8-68.7-171.3-177.3-169.90109.4M457 A585 A774M457-K583 WeakPolarHBondContact CE-O 3.06Å; K583-A585 PolarHBondContact O-N 3.23Å; K583-A774 PolarHBondContact NZ-O 2.86Å
584R55.1Low65.1Low175 Ų17585 Ų8566%0.6648%0.479SS*.  trans-83.9110.3169.7-67.4-173.4-178.8-179.40.3109.2H582 I594H582-R584 PolarHBondContact O-N 3.46Å; R584-I594 WeakPolarHBondContact O-CD1 3.32Å
585A50.1Low63.8Low63 Ų6385.4 Ų85.452%0.52148%0.475SS..  trans-72.4139.8169.200000109.8P456 K583 S587P456-A585 HydrophobicContact CG-CB 4.24Å; K583-A585 PolarHBondContact O-N 3.23Å; A585-S587 PolarHBondContact O-N 3.18Å; A585-S587 VanDerWaalsContact O-N 3.13Å
586L49.8Very low62.5Low103 Ų10384.9 Ų84.954%0.53948%0.477SS..  trans-76.694.4178.3-117.4151.8000109.1S590 I594L586-S590 WeakPolarHBondContact CD2-O 3.34Å; L586-I594 HydrophobicContact CB-CD1 4.35Å; L586-I594 HydrophobicContact CD1-CD1 3.51Å; L586-I594 HydrophobicContact CD1-CG1 3.88Å; L586-I594 HydrophobicContact CG-CD1 3.89Å; L586-I594 HydrophobicContact CG-CG1 4.31Å
587S49Very low61.4Low53 Ų5389.8 Ų89.837%0.37150%0.499SS..  trans-96.6111.2167.260.10000109.8A585A585-S587 PolarHBondContact O-N 3.18Å; A585-S587 VanDerWaalsContact O-N 3.13Å
588G50.2Low60.9Low50 Ų5090.1 Ų90.152%0.51550%0.502SS..SBendtrans115.4168.3173.300000115.8S590G588-S590 PolarHBondContact O-N 3.12Å
589F47.9Very low60.7Low227 Ų22787.7 Ų87.7100%0.99649%0.488SS*.SBendtrans-6518-175.9-66.6-82.5000115.8
590S48.4Very low60.9Low63 Ų6388.4 Ų88.444%0.44149%0.488SS..  trans-85.7124.5-173.5-155.30000111.4L586 G588 T592L586-S590 WeakPolarHBondContact CD2-O 3.34Å; G588-S590 PolarHBondContact O-N 3.12Å; S590-T592 PolarHBondContact O-N 3.16Å; S590-T592 PolarHBondContact OG-OG1 3.24Å
591T50.3Low61.5Low141 Ų14187.5 Ų87.587%0.86548%0.478SS*.  trans-80.28.9172.150.30000112.8T593T591-T593 PolarHBondContact O-N 3.22Å
592T47.8Very low62.2Low96 Ų9686.3 Ų86.359%0.58946%0.464SS*.  trans-65.5119.4-175.840.20000110.4S590 I594S590-T592 PolarHBondContact O-N 3.16Å; S590-T592 PolarHBondContact OG-OG1 3.24Å; T592-I594 PolarHBondContact O-N 2.91Å
593T52.8Low63.3Low120 Ų12086.6 Ų86.674%0.73646%0.462SS*.  trans-57.2102.9178.128.20000109.6T591 L595T591-T593 PolarHBondContact O-N 3.22Å; T593-L595 PolarHBondContact O-N 2.99Å
594I58.2Low64.8Low94 Ų9479.3 Ų79.348%0.48243%0.43SS..  trans-53.4113.6161.5-62.5174.7000105.2R584 L586 T592 P596R584-I594 WeakPolarHBondContact O-CD1 3.32Å; L586-I594 HydrophobicContact CB-CD1 4.35Å; L586-I594 HydrophobicContact CD1-CD1 3.51Å; L586-I594 HydrophobicContact CD1-CG1 3.88Å; L586-I594 HydrophobicContact CG-CD1 3.89Å; L586-I594 HydrophobicContact CG-CG1 4.31Å; T592-I594 PolarHBondContact O-N 2.91Å; I594-P596 WeakPolarHBondContact O-CD 3.12Å
595L64.1Low66.3Low82 Ų8274.9 Ų74.943%0.42943%0.426SS..  trans-75.2104.9175.7-70.4170.8000106.7T593 T598 Y602T593-L595 PolarHBondContact O-N 2.99Å; L595-T598 HydrophobicContact CB-CG2 3.6Å; L595-T598 HydrophobicContact CD1-CG2 4.45Å; L595-T598 PolarHBondContact O-OG1 3.06Å; L595-T598 VanDerWaalsContact O-OG1 3.05Å; L595-Y602 VanDerWaalsContact CD1-OH 3.3Å; L595-Y602 WeakPolarHBondContact CD1-OH 3.38Å
596P63.5Low68.2Low72 Ų7272.5 Ų72.547%0.46841%0.405SS..THydrogen-bonded Turntrans-65.5146.8178.431.8-35.9000108.8I594I594-P596 WeakPolarHBondContact O-CD 3.12Å
597H65.8Low70.1Confident103 Ų10367.6 Ų67.648%0.47738%0.379SS..THydrogen-bonded Turntrans67.942.9178.4-40.5-82000115.2L577 V578L577-H597 HydrophobicContact CD2-CB 4.46Å; V578-H597 HydrophobicContact CG1-CB 3.65Å
598T77.8Confident72.1Confident29 Ų2968.1 Ų68.118%0.17838%0.375CS..  trans-103.394.9173.245.50000110.7A581 L595 Y602A581-T598 WeakPolarHBondContact CA-O 3.41Å; L595-T598 HydrophobicContact CB-CG2 3.6Å; L595-T598 HydrophobicContact CD1-CG2 4.45Å; L595-T598 PolarHBondContact O-OG1 3.06Å; L595-T598 VanDerWaalsContact O-OG1 3.05Å; T598-Y602 HydrophobicContact CG2-CD1 3.94Å; T598-Y602 HydrophobicContact CG2-CD2 3.83Å; T598-Y602 HydrophobicContact CG2-CE1 4.19Å; T598-Y602 HydrophobicContact CG2-CE2 4.09Å; T598-Y602 HydrophobicContact CG2-CG 3.74Å
599G83.9Confident74Confident0 Ų072.2 Ų72.20%038%0.383CS..  trans-96.4-164.4172.600000113.6L577 L579 V601 Y602 Y603L577-G599 WeakPolarHBondContact O-CA 3.43Å; L577-G599 PolarHBondContact O-N 3.37Å; L577-G599 VanDerWaalsContact O-N 3.13Å; L579-G599 CarbonylContact O-C 3.51Å; L579-G599 WeakPolarHBondContact O-CA 3.41Å; G599-V601 VanDerWaalsContact C-N 3.28Å; G599-V601 PolarHBondContact O-N 2.82Å; G599-Y602 WeakPolarHBondContact O-CB 3.49Å; G599-Y602 PolarHBondContact O-N 3.29Å; G599-Y603 WeakPolarHBondContact O-CD2 3.47Å
600Y88.4Confident76Confident51 Ų5161.6 Ų61.620%0.234%0.336CS..G310 helixtrans-57-38.5-178-62-48000113.3K557 L558 T561 L579 Y602 Y603 T604K557-Y600 HydrophobicContact CB-CD2 4.02Å; K557-Y600 HydrophobicContact CB-CE2 3.99Å; K557-Y600 HydrophobicContact CB-CG 4.37Å; K557-Y600 HydrophobicContact CD-CD1 4.45Å; K557-Y600 HydrophobicContact CD-CE1 4.4Å; L558-Y600 HydrophobicContact CD2-CD2 4.22Å; T561-Y600 HydrophobicContact CG2-CE2 3.79Å; L579-Y600 PolarHBondContact O-N 3.08Å; Y600-Y602 PolarHBondContact O-N 3.38Å; Y600-Y603 PolarHBondContact O-N 3.31Å; Y600-T604 PolarHBondContact O-N 3.41Å
601V89.9Confident78Confident0 Ų061.2 Ų61.20%033%0.332CS..G310 helixtrans-60.8-28.8178.9177.60000112.9L558 L576 G599 Y603 T604 V607 V622 A623L558-V601 HydrophobicContact CD1-CG2 4.18Å; L558-V601 HydrophobicContact CD2-CG2 4.38Å; L576-V601 HydrophobicContact CD2-CG2 3.5Å; L576-V601 VanDerWaalsContact CD2-CG2 3.5Å; G599-V601 VanDerWaalsContact C-N 3.28Å; G599-V601 PolarHBondContact O-N 2.82Å; V601-Y603 VanDerWaalsContact C-N 3.25Å; V601-Y603 PolarHBondContact O-N 3.22Å; V601-T604 WeakPolarHBondContact O-CB 3.45Å; V601-T604 PolarHBondContact O-N 2.79Å; V601-T604 PolarHBondContact O-OG1 3.05Å; V601-V607 WeakPolarHBondContact O-CG2 3.3Å; V601-V622 HydrophobicContact CG1-CB 3.85Å; V601-V622 HydrophobicContact CG1-CG1 3.62Å; V601-A623 HydrophobicContact CG1-CB 4.32Å
602Y89.7Confident79.8Confident22 Ų2258.9 Ų58.99%0.08632%0.32CS..G310 helixtrans-66.1-33.1176.6-175.5-96.1000111.6L595 T598 G599 Y600 T604 V607 Q608 R615 A619L595-Y602 VanDerWaalsContact CD1-OH 3.3Å; L595-Y602 WeakPolarHBondContact CD1-OH 3.38Å; T598-Y602 HydrophobicContact CG2-CD1 3.94Å; T598-Y602 HydrophobicContact CG2-CD2 3.83Å; T598-Y602 HydrophobicContact CG2-CE1 4.19Å; T598-Y602 HydrophobicContact CG2-CE2 4.09Å; T598-Y602 HydrophobicContact CG2-CG 3.74Å; G599-Y602 WeakPolarHBondContact O-CB 3.49Å; G599-Y602 PolarHBondContact O-N 3.29Å; Y600-Y602 PolarHBondContact O-N 3.38Å; Y602-T604 VanDerWaalsContact C-N 3.33Å; Y602-V607 HydrophobicContact CD2-CG1 4.32Å; Y602-Q608 PolarHBondContact O-NE2 2.93Å; Y602-R615 HydrophobicContact CE2-CB 3.67Å; Y602-R615 WeakPolarHBondContact OH-CD 3.36Å; Y602-A619 HydrophobicContact CD2-CB 4.21Å
603Y88.1Confident81.6Confident120 Ų12061.7 Ų61.747%0.47133%0.331SS..G310 helixtrans-87.3-0.3-176.9-62.5-72.9000113.7G599 Y600 V601G599-Y603 WeakPolarHBondContact O-CD2 3.47Å; Y600-Y603 PolarHBondContact O-N 3.31Å; V601-Y603 VanDerWaalsContact C-N 3.25Å; V601-Y603 PolarHBondContact O-N 3.22Å
604T89.6Confident83.4Confident1 Ų157.7 Ų57.71%0.00631%0.305CS..SBendtrans-59.2140.4171.6-52.10000111.3V550 I554 Y600 V601 Y602 L606 V607 Q608V550-T604 HydrophobicContact CB-CG2 4.25Å; V550-T604 HydrophobicContact CG1-CG2 4.36Å; I554-T604 VanDerWaalsContact CD1-CA 3.44Å; I554-T604 HydrophobicContact CD1-CG2 4.21Å; I554-T604 VanDerWaalsContact CD1-OG1 3.26Å; I554-T604 WeakPolarHBondContact CD1-OG1 3.43Å; Y600-T604 PolarHBondContact O-N 3.41Å; V601-T604 WeakPolarHBondContact O-CB 3.45Å; V601-T604 PolarHBondContact O-N 2.79Å; V601-T604 PolarHBondContact O-OG1 3.05Å; Y602-T604 VanDerWaalsContact C-N 3.33Å; T604-L606 HydrophobicContact CG2-CB 4.19Å; T604-L606 HydrophobicContact CG2-CG 4.45Å; T604-L606 PolarHBondContact O-N 3.32Å; T604-V607 PolarHBondContact O-N 3.43Å; T604-Q608 PolarHBondContact O-N 3.4Å
605S87.9Confident85Confident83 Ų8355.9 Ų55.958%0.5829%0.292SS*.Hα-helixtrans-50.8-41.5177.657.60000112.7V607 Q608 M609S605-V607 VanDerWaalsContact C-N 3.35Å; S605-V607 PolarHBondContact O-N 3.48Å; S605-Q608 PolarHBondContact O-N 3.06Å; S605-M609 WeakPolarHBondContact O-CG 3.45Å; S605-M609 PolarHBondContact O-N 2.85Å; S605-M609 VanDerWaalsContact O-N 3.11Å
606L88.8Confident86.1Confident13 Ų1358.2 Ų58.27%0.06830%0.295CS..Hα-helixtrans-54.5-44.9175.6-69.4-179000113.4V549 T604 M609 F655V549-L606 WeakPolarHBondContact O-CD1 3.39Å; T604-L606 HydrophobicContact CG2-CB 4.19Å; T604-L606 HydrophobicContact CG2-CG 4.45Å; T604-L606 PolarHBondContact O-N 3.32Å; L606-M609 HydrophobicContact CD2-CE 3.83Å; L606-F655 HydrophobicContact CB-CE2 4.48Å; L606-F655 WeakPolarHBondContact O-CE2 3.35Å
607V91.2Very high87.4Confident0 Ų060.6 Ų60.60%030%0.295CS..Hα-helixtrans-77.7-38-178.3178.80000110.6V601 Y602 T604 S605 M609 L610 R615 A619 V622V601-V607 WeakPolarHBondContact O-CG2 3.3Å; Y602-V607 HydrophobicContact CD2-CG1 4.32Å; T604-V607 PolarHBondContact O-N 3.43Å; S605-V607 VanDerWaalsContact C-N 3.35Å; S605-V607 PolarHBondContact O-N 3.48Å; V607-M609 PolarHBondContact O-N 2.91Å; V607-L610 WeakPolarHBondContact O-CB 3.43Å; V607-L610 PolarHBondContact O-N 3.03Å; V607-L610 VanDerWaalsContact O-N 3.08Å; V607-R615 HydrophobicContact CG1-CB 4.04Å; V607-R615 HydrophobicContact CG1-CG 4.4Å; V607-A619 HydrophobicContact CG1-CB 4.18Å; V607-A619 HydrophobicContact CG2-CB 4.42Å; V607-V622 HydrophobicContact CG2-CB 4.26Å; V607-V622 HydrophobicContact CG2-CG2 3.78Å
608Q89.8Confident88.6Confident63 Ų6355.7 Ų55.729%0.29427%0.272SS..Hα-helixtrans-65.7-25.6-179.7-67.9-60-41.100113.2Y602 T604 S605 L610 R615Y602-Q608 PolarHBondContact O-NE2 2.93Å; T604-Q608 PolarHBondContact O-N 3.4Å; S605-Q608 PolarHBondContact O-N 3.06Å; Q608-L610 PolarHBondContact O-N 3.12Å; Q608-R615 PolarHBondContact O-NH2 3.07Å
609M90.1Very high89.3Confident136 Ų13654.4 Ų54.467%0.6727%0.265SS*.THydrogen-bonded Turntrans-66.2-21.4172.5-74.5-173.6-72.500113.8S605 L606 V607S605-M609 WeakPolarHBondContact O-CG 3.45Å; S605-M609 PolarHBondContact O-N 2.85Å; S605-M609 VanDerWaalsContact O-N 3.11Å; L606-M609 HydrophobicContact CD2-CE 3.83Å; V607-M609 PolarHBondContact O-N 2.91Å
610L90.6Very high89.7Confident4 Ų460.6 Ų60.62%0.02129%0.288CS..SBendtrans-78.6151.1178.7-71.2169.2000112.5V607 Q608 L614 R615 F655V607-L610 WeakPolarHBondContact O-CB 3.43Å; V607-L610 PolarHBondContact O-N 3.03Å; V607-L610 VanDerWaalsContact O-N 3.08Å; Q608-L610 PolarHBondContact O-N 3.12Å; L610-L614 HydrophobicContact CB-CB 4.26Å; L610-L614 HydrophobicContact CD1-CB 4.46Å; L610-R615 HydrophobicContact CB-CG 4.19Å; L610-R615 WeakPolarHBondContact O-CG 3.13Å; L610-R615 PolarHBondContact O-NE 2.8Å; L610-F655 HydrophobicContact CD1-CD1 3.93Å; L610-F655 HydrophobicContact CD1-CD2 3.76Å; L610-F655 HydrophobicContact CD1-CE1 3.73Å; L610-F655 HydrophobicContact CD1-CE2 3.55Å; L610-F655 HydrophobicContact CD1-CG 3.94Å; L610-F655 HydrophobicContact CD1-CZ 3.53Å; L610-F655 HydrophobicContact CD2-CB 3.95Å; L610-F655 HydrophobicContact CD2-CD1 4.41Å; L610-F655 HydrophobicContact CD2-CD2 3.93Å; L610-F655 HydrophobicContact CD2-CG 3.85Å; L610-F655 HydrophobicContact CG-CD2 3.87Å; L610-F655 HydrophobicContact CG-CE2 4.02Å; L610-F655 HydrophobicContact CG-CG 4.2Å; L610-F655 HydrophobicContact CG-CZ 4.48Å
611P90.4Very high90Very high55 Ų5559.2 Ų59.236%0.35728%0.284SS..  trans-54.4144.6167-24.733.6000112D613 L614 R615P611-D613 PolarHBondContact O-N 3.36Å; P611-L614 HydrophobicContact CG-CD1 4.46Å; P611-L614 PolarHBondContact O-N 3.06Å; P611-R615 WeakPolarHBondContact O-CG 3.3Å; P611-R615 PolarHBondContact O-N 3.37Å
612P86.8Confident90.2Very high93 Ų9359.2 Ų59.260%0.60428%0.284SS*.Hα-helixtrans-48.3-39.3-175.3-30.335.4000115.1L614 R615P612-L614 VanDerWaalsContact C-N 3.27Å; P612-L614 PolarHBondContact O-N 3.07Å; P612-R615 PolarHBondContact O-N 3.27Å
613D86.5Confident90.3Very high154 Ų15458.2 Ų58.282%0.82428%0.28SS*.Hα-helixtrans-65.1-29.5179.7-61.2-33.6000113.3P611P611-D613 PolarHBondContact O-N 3.36Å
614L90.6Very high90.6Very high36 Ų3654.3 Ų54.319%0.18827%0.272CS..Hα-helixtrans-92.3-19.9-179.9-66.2-178.8000112.8L610 P611 P612 R616 R617 G618 W658 Q659L610-L614 HydrophobicContact CB-CB 4.26Å; L610-L614 HydrophobicContact CD1-CB 4.46Å; P611-L614 HydrophobicContact CG-CD1 4.46Å; P611-L614 PolarHBondContact O-N 3.06Å; P612-L614 VanDerWaalsContact C-N 3.27Å; P612-L614 PolarHBondContact O-N 3.07Å; L614-R616 VanDerWaalsContact C-N 3.33Å; L614-R616 PolarHBondContact O-N 3.31Å; L614-R617 CarbonylContact O-C 3.51Å; L614-R617 WeakPolarHBondContact O-CA 3.49Å; L614-R617 WeakPolarHBondContact O-CB 3.48Å; L614-R617 PolarHBondContact O-N 3.48Å; L614-G618 PolarHBondContact O-N 2.95Å; L614-W658 HydrophobicContact CD1-CB 4.24Å; L614-Q659 HydrophobicContact CD1-CG 4.07Å
615R90.8Very high90.8Very high57 Ų5755.6 Ų55.622%0.21528%0.278CS..Hα-helixtrans-55.1-43.1-175.4-67.2-174.9-178.4-175.4-8.8113.2Y602 V607 Q608 L610 P611 P612 R617 G618 A619Y602-R615 HydrophobicContact CE2-CB 3.67Å; Y602-R615 WeakPolarHBondContact OH-CD 3.36Å; V607-R615 HydrophobicContact CG1-CB 4.04Å; V607-R615 HydrophobicContact CG1-CG 4.4Å; Q608-R615 PolarHBondContact O-NH2 3.07Å; L610-R615 HydrophobicContact CB-CG 4.19Å; L610-R615 WeakPolarHBondContact O-CG 3.13Å; L610-R615 PolarHBondContact O-NE 2.8Å; P611-R615 WeakPolarHBondContact O-CG 3.3Å; P611-R615 PolarHBondContact O-N 3.37Å; P612-R615 PolarHBondContact O-N 3.27Å; R615-R617 VanDerWaalsContact C-N 3.32Å; R615-R617 PolarHBondContact O-N 3.08Å; R615-G618 PolarHBondContact O-N 3.34Å; R615-A619 WeakPolarHBondContact O-CB 3.16Å; R615-A619 PolarHBondContact O-N 2.94Å
616R87.7Confident91.1Very high130 Ų13051.7 Ų51.749%0.49125%0.25SS..Hα-helixtrans-63.4-38177.7-172176.5-175.9-176.32.4112.4L614 R620L614-R616 VanDerWaalsContact C-N 3.33Å; L614-R616 PolarHBondContact O-N 3.31Å; R616-R620 PolarHBondContact O-N 3.43Å
617R90.4Very high91.3Very high123 Ų12351.3 Ų51.346%0.46425%0.249SC..Hα-helixtrans-71.1-39.3176-168-173.7179.4-179-0.8110.9L614 R615 L621 W658L614-R617 CarbonylContact O-C 3.51Å; L614-R617 WeakPolarHBondContact O-CA 3.49Å; L614-R617 WeakPolarHBondContact O-CB 3.48Å; L614-R617 PolarHBondContact O-N 3.48Å; R615-R617 VanDerWaalsContact C-N 3.32Å; R615-R617 PolarHBondContact O-N 3.08Å; R617-L621 PolarHBondContact O-N 3.4Å; R617-W658 HydrophobicContact CB-CH2 4.49Å; R617-W658 HydrophobicContact CB-CZ3 4.16Å; R617-W658 HydrophobicContact CG-CE3 4.33Å; R617-W658 HydrophobicContact CG-CH2 3.66Å; R617-W658 HydrophobicContact CG-CZ2 4.16Å; R617-W658 HydrophobicContact CG-CZ3 3.76Å; R617-W658 VanDerWaalsContact CZ-CE2 3.45Å
618G92.3Very high91.4Very high0 Ų054.7 Ų54.70%027%0.267CS..Hα-helixtrans-62.6-48.117500000112.8L614 R615 R620 L621 V622L614-G618 PolarHBondContact O-N 2.95Å; R615-G618 PolarHBondContact O-N 3.34Å; G618-R620 VanDerWaalsContact C-N 3.31Å; G618-R620 PolarHBondContact O-N 3.12Å; G618-L621 WeakPolarHBondContact O-CB 3.02Å; G618-L621 PolarHBondContact O-N 3.3Å; G618-V622 WeakPolarHBondContact O-CG2 3.44Å; G618-V622 PolarHBondContact O-N 3.09Å
619A92.4Very high91.5Very high2 Ų251.7 Ų51.72%0.01725%0.253CS..Hα-helixtrans-57.7-40.9178.200000112.5L577 Y602 V607 R615 L621 V622 A623L577-A619 HydrophobicContact CD1-CB 3.61Å; Y602-A619 HydrophobicContact CD2-CB 4.21Å; V607-A619 HydrophobicContact CG1-CB 4.18Å; V607-A619 HydrophobicContact CG2-CB 4.42Å; R615-A619 WeakPolarHBondContact O-CB 3.16Å; R615-A619 PolarHBondContact O-N 2.94Å; A619-L621 PolarHBondContact O-N 2.76Å; A619-V622 PolarHBondContact O-N 3.28Å; A619-A623 VanDerWaalsContact O-CB 3.28Å; A619-A623 WeakPolarHBondContact O-CB 3.49Å; A619-A623 PolarHBondContact O-N 3.34Å
620R92.2Very high91.5Very high129 Ų12945.2 Ų45.249%0.48722%0.221SC..Hα-helixtrans-62.5-40.3173.6-76.5-173.3-66.4-131.4-0.1113.1L577 R616 G618 A624L577-R620 HydrophobicContact CD2-CG 3.87Å; R616-R620 PolarHBondContact O-N 3.43Å; G618-R620 VanDerWaalsContact C-N 3.31Å; G618-R620 PolarHBondContact O-N 3.12Å; R620-A624 PolarHBondContact O-N 2.99Å; R620-A624 VanDerWaalsContact O-N 3.12Å
621L93.7Very high91.6Very high23 Ų2348.2 Ų48.212%0.1223%0.232CC..Hα-helixtrans-67.7-45177.6178.567.3000111.1R617 G618 A619 A624 K625 K654 F655 W658R617-L621 PolarHBondContact O-N 3.4Å; G618-L621 WeakPolarHBondContact O-CB 3.02Å; G618-L621 PolarHBondContact O-N 3.3Å; A619-L621 PolarHBondContact O-N 2.76Å; L621-A624 PolarHBondContact O-N 2.87Å; L621-K625 HydrophobicContact CD1-CG 4.42Å; L621-K625 VanDerWaalsContact O-CG 3.28Å; L621-K625 WeakPolarHBondContact O-CG 3.32Å; L621-K625 PolarHBondContact O-N 3.18Å; L621-K625 VanDerWaalsContact O-N 3.08Å; L621-K654 HydrophobicContact CD1-CD 3.9Å; L621-K654 HydrophobicContact CD2-CB 3.8Å; L621-K654 HydrophobicContact CD2-CD 3.63Å; L621-K654 HydrophobicContact CD2-CG 4.36Å; L621-K654 HydrophobicContact CG-CD 4.44Å; L621-F655 HydrophobicContact CD2-CD1 4.22Å; L621-F655 HydrophobicContact CD2-CE1 3.82Å; L621-W658 HydrophobicContact CB-CH2 4.06Å; L621-W658 HydrophobicContact CD2-CH2 3.82Å; L621-W658 HydrophobicContact CD2-CZ2 4.31Å; L621-W658 HydrophobicContact CD2-CZ3 4.47Å
622V94.2Very high91.5Very high0 Ų047.2 Ų47.20%023%0.225CC..Hα-helixtrans-62-48.5177.1177.10000109.5V550 V601 V607 G618 A619 A624 K625 C626 I651 F655V550-V622 HydrophobicContact CG1-CG1 4.13Å; V601-V622 HydrophobicContact CG1-CB 3.85Å; V601-V622 HydrophobicContact CG1-CG1 3.62Å; V607-V622 HydrophobicContact CG2-CB 4.26Å; V607-V622 HydrophobicContact CG2-CG2 3.78Å; G618-V622 WeakPolarHBondContact O-CG2 3.44Å; G618-V622 PolarHBondContact O-N 3.09Å; A619-V622 PolarHBondContact O-N 3.28Å; V622-A624 VanDerWaalsContact C-N 3.33Å; V622-A624 PolarHBondContact O-N 2.93Å; V622-K625 CarbonylContact O-C 3.58Å; V622-K625 PolarHBondContact O-N 3.43Å; V622-C626 PolarHBondContact O-N 2.82Å; V622-C626 PolarHBondContact O-SG 3.23Å; V622-I651 HydrophobicContact CG2-CD1 4.38Å; V622-I651 HydrophobicContact CG2-CG2 4.11Å; V622-F655 HydrophobicContact CG2-CZ 3.93Å
623A93.2Very high91.6Very high0 Ų043 Ų430%020%0.197CC..Hα-helixtrans-54.7-46.717800000112.3L576 L577 V601 A619 K625 C626 T627L576-A623 HydrophobicContact CD2-CB 3.89Å; L577-A623 HydrophobicContact CB-CB 4.27Å; L577-A623 HydrophobicContact CD1-CB 4.49Å; V601-A623 HydrophobicContact CG1-CB 4.32Å; A619-A623 VanDerWaalsContact O-CB 3.28Å; A619-A623 WeakPolarHBondContact O-CB 3.49Å; A619-A623 PolarHBondContact O-N 3.34Å; A623-K625 VanDerWaalsContact C-N 3.32Å; A623-K625 PolarHBondContact O-N 2.68Å; A623-C626 PolarHBondContact O-N 3.07Å; A623-T627 PolarHBondContact O-N 2.8Å; A623-T627 PolarHBondContact O-OG1 3.47Å; A623-T627 VanDerWaalsContact O-OG1 3.1Å
624A93.8Very high91.6Very high38 Ų3836.7 Ų36.731%0.31417%0.166SC..Hα-helixtrans-61.7-38.1176.400000113.3A573 R620 L621 V622 L628A573-A624 HydrophobicContact CB-CB 4.08Å; R620-A624 PolarHBondContact O-N 2.99Å; R620-A624 VanDerWaalsContact O-N 3.12Å; L621-A624 PolarHBondContact O-N 2.87Å; V622-A624 VanDerWaalsContact C-N 3.33Å; V622-A624 PolarHBondContact O-N 2.93Å; A624-L628 WeakPolarHBondContact O-CG 3.21Å; A624-L628 PolarHBondContact O-N 2.99Å
625K94Very high91.3Very high29 Ų2941.1 Ų41.113%0.12619%0.189CC..Hα-helixtrans-75.6-33178.5-67.3-74.7166-176.80112.3L621 V622 A623 L628 A629 L647 E650 I651L621-K625 HydrophobicContact CD1-CG 4.42Å; L621-K625 VanDerWaalsContact O-CG 3.28Å; L621-K625 WeakPolarHBondContact O-CG 3.32Å; L621-K625 PolarHBondContact O-N 3.18Å; L621-K625 VanDerWaalsContact O-N 3.08Å; V622-K625 CarbonylContact O-C 3.58Å; V622-K625 PolarHBondContact O-N 3.43Å; A623-K625 VanDerWaalsContact C-N 3.32Å; A623-K625 PolarHBondContact O-N 2.68Å; K625-L628 HydrophobicContact CD-CD1 4.35Å; K625-L628 PolarHBondContact O-N 2.69Å; K625-A629 PolarHBondContact O-N 3.1Å; K625-L647 HydrophobicContact CD-CB 4.44Å; K625-L647 HydrophobicContact CD-CD2 3.65Å; K625-E650 WeakPolarHBondContact CE-OE2 3.34Å; K625-E650 IonicContact NZ-OE2 3.07Å; K625-E650 PolarHBondContact NZ-OE2 2.87Å; K625-I651 HydrophobicContact CB-CD1 3.77Å; K625-I651 HydrophobicContact CB-CG1 4.2Å; K625-I651 HydrophobicContact CG-CD1 4.03Å; K625-I651 HydrophobicContact CG-CG1 3.88Å
626C92.9Very high90.5Very high0 Ų041.5 Ų41.50%019%0.193CC..Hα-helixtrans-64.3-43171.5-63.10000111.8L546 V550 L576 V622 A623 L628 A629 A630L546-C626 HydrophobicContact CD1-CB 3.89Å; V550-C626 WeakPolarHBondContact CG1-SG 3.33Å; L576-C626 HydrophobicContact CD1-CB 4.44Å; L576-C626 HydrophobicContact CD2-CB 4.03Å; V622-C626 PolarHBondContact O-N 2.82Å; V622-C626 PolarHBondContact O-SG 3.23Å; A623-C626 PolarHBondContact O-N 3.07Å; C626-L628 VanDerWaalsContact C-N 3.26Å; C626-L628 PolarHBondContact O-N 3.46Å; C626-A629 PolarHBondContact O-N 3.37Å; C626-A630 WeakPolarHBondContact O-CB 3.48Å; C626-A630 PolarHBondContact O-N 3.15Å
627T93.3Very high89.6Confident5 Ų538.3 Ų38.33%0.03119%0.194CC..Hα-helixtrans-58.8-40.1174.7-56.20000111.2I571 A573 A623 R631I571-T627 WeakPolarHBondContact O-CG2 3.47Å; A573-T627 WeakPolarHBondContact CA-OG1 3.45Å; A623-T627 PolarHBondContact O-N 2.8Å; A623-T627 PolarHBondContact O-OG1 3.47Å; A623-T627 VanDerWaalsContact O-OG1 3.1Å; T627-R631 VanDerWaalsContact O-CG 3.26Å; T627-R631 WeakPolarHBondContact O-CG 3.23Å; T627-R631 PolarHBondContact O-N 2.85Å
628L92.9Very high88.9Confident72 Ų7238.6 Ų38.638%0.37720%0.196SC..Hα-helixtrans-66.5-44.2174.6-65.9174.2000112.2A624 K625 C626 A630 R631 V632 L647A624-L628 WeakPolarHBondContact O-CG 3.21Å; A624-L628 PolarHBondContact O-N 2.99Å; K625-L628 HydrophobicContact CD-CD1 4.35Å; K625-L628 PolarHBondContact O-N 2.69Å; C626-L628 VanDerWaalsContact C-N 3.26Å; C626-L628 PolarHBondContact O-N 3.46Å; L628-A630 PolarHBondContact O-N 3.24Å; L628-R631 PolarHBondContact O-N 2.9Å; L628-V632 WeakPolarHBondContact O-CG2 3.31Å; L628-V632 PolarHBondContact O-N 3.47Å; L628-L647 HydrophobicContact CB-CD1 4.35Å
629A92.5Very high87.9Confident0 Ų042.6 Ų42.60%023%0.23CC..Hα-helixtrans-61.1-43.7176.600000111.7N545 L546 V549 K625 C626 R631 V632 D633 L647N545-A629 HydrophobicContact CB-CB 4.25Å; L546-A629 HydrophobicContact CB-CB 4.43Å; V549-A629 HydrophobicContact CG2-CB 4.46Å; K625-A629 PolarHBondContact O-N 3.1Å; C626-A629 PolarHBondContact O-N 3.37Å; A629-R631 VanDerWaalsContact C-N 3.35Å; A629-R631 PolarHBondContact O-N 2.89Å; A629-V632 PolarHBondContact O-N 3.43Å; A629-V632 VanDerWaalsContact O-N 3.16Å; A629-D633 PolarHBondContact O-N 3.09Å; A629-L647 HydrophobicContact CB-CD1 4.01Å
630A91.1Very high87.3Confident0 Ų047.3 Ų47.30%025%0.254CS..Hα-helixtrans-62.5-38.7176.500000112.6I565 L568 C626 L628 V632 D633 A634I565-A630 HydrophobicContact CD1-CB 4.04Å; L568-A630 HydrophobicContact CD2-CB 4.11Å; L568-A630 HydrophobicContact CG-CB 4.06Å; C626-A630 WeakPolarHBondContact O-CB 3.48Å; C626-A630 PolarHBondContact O-N 3.15Å; L628-A630 PolarHBondContact O-N 3.24Å; A630-V632 VanDerWaalsContact C-N 3.34Å; A630-D633 PolarHBondContact O-N 2.95Å; A630-A634 WeakPolarHBondContact O-CB 3.41Å; A630-A634 PolarHBondContact O-N 2.7Å
631R91.5Very high86.7Confident67 Ų6743.1 Ų43.125%0.25325%0.245SC..Hα-helixtrans-66-34.8174.1-72.9170.1-178.8-176.70.1112.8S569 T627 L628 A629 I635S569-R631 PolarHBondContact O-NE 2.85Å; T627-R631 VanDerWaalsContact O-CG 3.26Å; T627-R631 WeakPolarHBondContact O-CG 3.23Å; T627-R631 PolarHBondContact O-N 2.85Å; L628-R631 PolarHBondContact O-N 2.9Å; A629-R631 VanDerWaalsContact C-N 3.35Å; A629-R631 PolarHBondContact O-N 2.89Å; R631-I635 WeakPolarHBondContact O-CG1 3.47Å; R631-I635 PolarHBondContact O-N 3.5Å
632V89.9Confident86.5Confident34 Ų3444.3 Ų44.321%0.20626%0.255CS..Hα-helixtrans-72.3-43.6175.8173.50000110.9L628 A629 A630 A634 I635 H636 Y638 V643L628-V632 WeakPolarHBondContact O-CG2 3.31Å; L628-V632 PolarHBondContact O-N 3.47Å; A629-V632 PolarHBondContact O-N 3.43Å; A629-V632 VanDerWaalsContact O-N 3.16Å; A630-V632 VanDerWaalsContact C-N 3.34Å; V632-A634 VanDerWaalsContact C-N 3.33Å; V632-A634 PolarHBondContact O-N 2.8Å; V632-I635 PolarHBondContact O-N 3.23Å; V632-H636 PolarHBondContact O-N 3.31Å; V632-Y638 HydrophobicContact CG1-CD2 4.09Å; V632-V643 HydrophobicContact CG1-CB 4.26Å; V632-V643 HydrophobicContact CG1-CG1 4.33Å; V632-V643 HydrophobicContact CG1-CG2 4.19Å; V632-V643 HydrophobicContact CG2-CG1 4.15Å
633D88.1Confident86.3Confident3 Ų345.7 Ų45.72%0.01626%0.264CS..Hα-helixtrans-63.2-38.7176.7-72.9-26.7000111.2A543 N545 L546 I565 A629 A630 I635 H636A543-D633 WeakPolarHBondContact CA-OD2 3.38Å; A543-D633 HydrophobicContact CB-CB 4.24Å; A543-D633 WeakPolarHBondContact CB-OD2 3.34Å; N545-D633 WeakPolarHBondContact CB-OD1 3.49Å; N545-D633 PolarHBondContact N-OD1 3.2Å; N545-D633 VanDerWaalsContact N-OD1 3.16Å; N545-D633 PolarHBondContact N-OD2 3.25Å; N545-D633 PolarHBondContact ND2-OD1 2.85Å; L546-D633 WeakPolarHBondContact CB-OD2 3.49Å; L546-D633 PolarHBondContact N-OD2 3.36Å; I565-D633 HydrophobicContact CD1-CB 4.12Å; I565-D633 HydrophobicContact CG1-CB 4.13Å; A629-D633 PolarHBondContact O-N 3.09Å; A630-D633 PolarHBondContact O-N 2.95Å; D633-I635 VanDerWaalsContact C-N 3.29Å; D633-I635 PolarHBondContact O-N 3.2Å; D633-H636 PolarHBondContact O-CE1 3.25Å; D633-H636 VanDerWaalsContact O-CG 3.31Å; D633-H636 PolarHBondContact O-N 3.19Å; D633-H636 PolarHBondContact O-ND1 3.11Å
634A86.2Confident86.2Confident22 Ų2245.7 Ų45.718%0.18226%0.264CS..Hα-helixtrans-60.9-33.5175.600000113.5I565 A630 V632 H636I565-A634 HydrophobicContact CG1-CB 4.48Å; A630-A634 WeakPolarHBondContact O-CB 3.41Å; A630-A634 PolarHBondContact O-N 2.7Å; V632-A634 VanDerWaalsContact C-N 3.33Å; V632-A634 PolarHBondContact O-N 2.8Å; A634-H636 VanDerWaalsContact C-N 3.34Å; A634-H636 PolarHBondContact O-CE1 3.18Å; A634-H636 PolarHBondContact O-ND1 2.99Å
635I83.7Confident86Confident129 Ų12951.8 Ų51.866%0.66228%0.279SS*.Hα-helixtrans-79.7-19177-60.9166.6000111.5R631 V632 D633 A637R631-I635 WeakPolarHBondContact O-CG1 3.47Å; R631-I635 PolarHBondContact O-N 3.5Å; V632-I635 PolarHBondContact O-N 3.23Å; D633-I635 VanDerWaalsContact C-N 3.29Å; D633-I635 PolarHBondContact O-N 3.2Å; I635-A637 HydrophobicContact CG2-CB 4.09Å; I635-A637 PolarHBondContact O-N 3Å; I635-A637 VanDerWaalsContact O-N 3.11Å
636H73.8Confident86Confident65 Ų6556.1 Ų56.130%0.30130%0.299SS..THydrogen-bonded Turntrans58.117.3-179-58.984000115.5V632 D633 A634 Y638V632-H636 PolarHBondContact O-N 3.31Å; D633-H636 PolarHBondContact O-CE1 3.25Å; D633-H636 VanDerWaalsContact O-CG 3.31Å; D633-H636 PolarHBondContact O-N 3.19Å; D633-H636 PolarHBondContact O-ND1 3.11Å; A634-H636 VanDerWaalsContact C-N 3.34Å; A634-H636 PolarHBondContact O-CE1 3.18Å; A634-H636 PolarHBondContact O-ND1 2.99Å; H636-Y638 VanDerWaalsContact C-N 3.32Å; H636-Y638 PolarHBondContact O-N 3.33Å
637A69.8Low86Confident64 Ų6456.7 Ų56.753%0.52930%0.302SS..SBendtrans-71.2-24.2-177.900000114I635I635-A637 HydrophobicContact CG2-CB 4.09Å; I635-A637 PolarHBondContact O-N 3Å; I635-A637 VanDerWaalsContact O-N 3.11Å
638Y74.6Confident86Confident128 Ų12856.5 Ų56.550%0.50230%0.301SS..  trans-132.579.4-172.7-61.6-83.2000111.5N545 V632 H636 D640 V643N545-Y638 PolarHBondContact ND2-O 2.87Å; V632-Y638 HydrophobicContact CG1-CD2 4.09Å; H636-Y638 VanDerWaalsContact C-N 3.32Å; H636-Y638 PolarHBondContact O-N 3.33Å; Y638-D640 PolarHBondContact O-N 3.34Å; Y638-V643 HydrophobicContact CD1-CG2 4.44Å; Y638-V643 HydrophobicContact CD2-CG2 4.12Å; Y638-V643 HydrophobicContact CG-CG2 3.96Å
639A72.4Confident86Confident85 Ų8558 Ų5870%0.70231%0.306SS*.THydrogen-bonded Turntrans-74.3-7.3176.900000113.7S641A639-S641 VanDerWaalsContact C-N 3.27Å; A639-S641 PolarHBondContact O-N 3.05Å
640D78.6Confident86.1Confident100 Ų10061 Ų6154%0.53532%0.321SS..THydrogen-bonded Turntrans-83.89.1-173.969.4-17000114.4Y638 S642Y638-D640 PolarHBondContact O-N 3.34Å; D640-S642 VanDerWaalsContact CG-CB 3.5Å; D640-S642 PolarHBondContact O-N 3.43Å; D640-S642 VanDerWaalsContact OD1-CB 3.25Å; D640-S642 WeakPolarHBondContact OD1-CB 3.25Å; D640-S642 PolarHBondContact OD1-N 2.89Å; D640-S642 PolarHBondContact OD1-OG 3.07Å; D640-S642 VanDerWaalsContact OD2-CB 3.32Å; D640-S642 WeakPolarHBondContact OD2-CB 3.42Å; D640-S642 PolarHBondContact OD2-OG 3.16Å
641S81.6Confident86.2Confident41 Ų4161 Ų6129%0.28732%0.321SS..SBendtrans56.311.8-175.870.40000115.4N545 A639 V643 G644 R645N545-S641 VanDerWaalsContact OD1-CA 3.31Å; N545-S641 WeakPolarHBondContact OD1-CA 3.44Å; A639-S641 VanDerWaalsContact C-N 3.27Å; A639-S641 PolarHBondContact O-N 3.05Å; S641-V643 PolarHBondContact O-N 2.95Å; S641-G644 PolarHBondContact O-N 2.99Å; S641-R645 PolarHBondContact O-N 3.12Å
642S88.5Confident86.3Confident49 Ų4962.5 Ų62.534%0.34333%0.326SS..Hα-helixtrans-67-39.7-171.660.10000111.8D640 R645 Q646D640-S642 VanDerWaalsContact CG-CB 3.5Å; D640-S642 PolarHBondContact O-N 3.43Å; D640-S642 VanDerWaalsContact OD1-CB 3.25Å; D640-S642 WeakPolarHBondContact OD1-CB 3.25Å; D640-S642 PolarHBondContact OD1-N 2.89Å; D640-S642 PolarHBondContact OD1-OG 3.07Å; D640-S642 VanDerWaalsContact OD2-CB 3.32Å; D640-S642 WeakPolarHBondContact OD2-CB 3.42Å; D640-S642 PolarHBondContact OD2-OG 3.16Å; S642-R645 WeakPolarHBondContact O-CB 3.45Å; S642-R645 PolarHBondContact O-N 2.97Å; S642-Q646 PolarHBondContact O-N 2.95Å; S642-Q646 VanDerWaalsContact O-N 3.09Å
643V90.2Very high86.5Confident29 Ų2964.7 Ų64.718%0.17634%0.34CS..Hα-helixtrans-68-44.3175.5-175.50000111.3V632 Y638 S641 R645 Q646 L647V632-V643 HydrophobicContact CG1-CB 4.26Å; V632-V643 HydrophobicContact CG1-CG1 4.33Å; V632-V643 HydrophobicContact CG1-CG2 4.19Å; V632-V643 HydrophobicContact CG2-CG1 4.15Å; Y638-V643 HydrophobicContact CD1-CG2 4.44Å; Y638-V643 HydrophobicContact CD2-CG2 4.12Å; Y638-V643 HydrophobicContact CG-CG2 3.96Å; S641-V643 PolarHBondContact O-N 2.95Å; V643-R645 PolarHBondContact O-N 3.27Å; V643-Q646 PolarHBondContact O-N 3.46Å; V643-L647 HydrophobicContact CG1-CD1 4Å; V643-L647 HydrophobicContact CG1-CG 4.25Å; V643-L647 VanDerWaalsContact O-CG 3.3Å; V643-L647 WeakPolarHBondContact O-CG 3.43Å; V643-L647 PolarHBondContact O-N 2.89Å
644G90.1Very high86.8Confident0 Ų068.6 Ų68.60%036%0.357CS..Hα-helixtrans-56.6-39.4174.400000112.2N545 S641 L647 A648N545-G644 PolarHBondContact OD1-N 3.02Å; S641-G644 PolarHBondContact O-N 2.99Å; G644-L647 PolarHBondContact O-N 2.88Å; G644-A648 VanDerWaalsContact O-CB 3.31Å; G644-A648 WeakPolarHBondContact O-CB 3.08Å; G644-A648 PolarHBondContact O-N 3.24Å
645R91.3Very high87.1Confident165 Ų16568.2 Ų68.262%0.62335%0.351SS*.Hα-helixtrans-65.7-44.6175.9-167.7176.5-162.4165.96.6112.9Y548 S641 S642 V643 A648 E649Y548-R645 HydrophobicContact CD1-CB 4.4Å; Y548-R645 HydrophobicContact CE1-CB 3.98Å; Y548-R645 HydrophobicContact CE1-CG 4Å; S641-R645 PolarHBondContact O-N 3.12Å; S642-R645 WeakPolarHBondContact O-CB 3.45Å; S642-R645 PolarHBondContact O-N 2.97Å; V643-R645 PolarHBondContact O-N 3.27Å; R645-A648 PolarHBondContact O-N 3.44Å; R645-E649 PolarHBondContact O-N 3.05Å
646Q93.4Very high87.6Confident120 Ų12066.6 Ų66.656%0.56134%0.344SS*.Hα-helixtrans-61.6-47.3175.9-177.7-178.1-8.300111.4S642 V643 A648 E649 E650S642-Q646 PolarHBondContact O-N 2.95Å; S642-Q646 VanDerWaalsContact O-N 3.09Å; V643-Q646 PolarHBondContact O-N 3.46Å; Q646-A648 VanDerWaalsContact C-N 3.34Å; Q646-A648 PolarHBondContact O-N 3.41Å; Q646-E649 PolarHBondContact O-N 3.13Å; Q646-E650 WeakPolarHBondContact O-CG 3.43Å; Q646-E650 PolarHBondContact O-N 3Å
647L93.4Very high88.5Confident13 Ų1370.5 Ų70.57%0.06836%0.36CS..Hα-helixtrans-62.8-41.1179.5-66.1173.9000111.7V549 K625 L628 A629 V643 G644 E649 E650 I651V549-L647 HydrophobicContact CG2-CB 4.3Å; K625-L647 HydrophobicContact CD-CB 4.44Å; K625-L647 HydrophobicContact CD-CD2 3.65Å; L628-L647 HydrophobicContact CB-CD1 4.35Å; A629-L647 HydrophobicContact CB-CD1 4.01Å; V643-L647 HydrophobicContact CG1-CD1 4Å; V643-L647 HydrophobicContact CG1-CG 4.25Å; V643-L647 VanDerWaalsContact O-CG 3.3Å; V643-L647 WeakPolarHBondContact O-CG 3.43Å; V643-L647 PolarHBondContact O-N 2.89Å; G644-L647 PolarHBondContact O-N 2.88Å; L647-E649 VanDerWaalsContact C-N 3.33Å; L647-E649 PolarHBondContact O-N 3.27Å; L647-E650 PolarHBondContact O-N 3.35Å; L647-I651 VanDerWaalsContact O-CG1 3.29Å; L647-I651 WeakPolarHBondContact O-CG1 3.48Å; L647-I651 PolarHBondContact O-N 2.93Å; L647-I651 VanDerWaalsContact O-N 3.09Å
648A91.8Very high89.5Confident1 Ų170.3 Ų70.31%0.00835%0.345CS..Hα-helixtrans-62.3-39.1175.100000112.2Y548 G644 R645 Q646 I651 R652Y548-A648 HydrophobicContact CD1-CB 3.91Å; Y548-A648 HydrophobicContact CE1-CB 3.86Å; G644-A648 VanDerWaalsContact O-CB 3.31Å; G644-A648 WeakPolarHBondContact O-CB 3.08Å; G644-A648 PolarHBondContact O-N 3.24Å; R645-A648 PolarHBondContact O-N 3.44Å; Q646-A648 VanDerWaalsContact C-N 3.34Å; Q646-A648 PolarHBondContact O-N 3.41Å; A648-I651 WeakPolarHBondContact O-CB 3.05Å; A648-I651 PolarHBondContact O-N 3.2Å; A648-R652 WeakPolarHBondContact O-CG 3.33Å; A648-R652 PolarHBondContact O-N 3.45Å
649E93.4Very high90.3Very high102 Ų10269 Ų6948%0.47734%0.343SS..Hα-helixtrans-68.7-38.8178.1-165.658.4-158.900112.5R645 Q646 L647 I651 R652 T653R645-E649 PolarHBondContact O-N 3.05Å; Q646-E649 PolarHBondContact O-N 3.13Å; L647-E649 VanDerWaalsContact C-N 3.33Å; L647-E649 PolarHBondContact O-N 3.27Å; E649-I651 VanDerWaalsContact C-N 3.29Å; E649-I651 PolarHBondContact O-N 3.46Å; E649-R652 PolarHBondContact O-N 3.36Å; E649-R652 IonicContact OE2-NH1 2.7Å; E649-T653 WeakPolarHBondContact O-CB 3.27Å; E649-T653 PolarHBondContact O-N 3.44Å; E649-T653 PolarHBondContact O-OG1 3.37Å
650E94.2Very high91.1Very high65 Ų6571.3 Ų71.330%0.30434%0.34SS..Hα-helixtrans-62.3-36.9172.6-72.1-179.5-166.300112.5K625 Q646 L647 K654K625-E650 WeakPolarHBondContact CE-OE2 3.34Å; K625-E650 IonicContact NZ-OE2 3.07Å; K625-E650 PolarHBondContact NZ-OE2 2.87Å; Q646-E650 WeakPolarHBondContact O-CG 3.43Å; Q646-E650 PolarHBondContact O-N 3Å; L647-E650 PolarHBondContact O-N 3.35Å; E650-K654 WeakPolarHBondContact O-CB 3.4Å; E650-K654 WeakPolarHBondContact O-CG 3.36Å; E650-K654 PolarHBondContact O-N 3.4Å; E650-K654 VanDerWaalsContact O-N 3.16Å
651I94Very high91.5Very high0 Ų071.9 Ų71.90%035%0.349CS..Hα-helixtrans-63.9-50.6175.1-68163.7000109.7V549 V622 K625 L647 A648 E649 T653 K654 F655V549-I651 HydrophobicContact CG1-CD1 3.82Å; V622-I651 HydrophobicContact CG2-CD1 4.38Å; V622-I651 HydrophobicContact CG2-CG2 4.11Å; K625-I651 HydrophobicContact CB-CD1 3.77Å; K625-I651 HydrophobicContact CB-CG1 4.2Å; K625-I651 HydrophobicContact CG-CD1 4.03Å; K625-I651 HydrophobicContact CG-CG1 3.88Å; L647-I651 VanDerWaalsContact O-CG1 3.29Å; L647-I651 WeakPolarHBondContact O-CG1 3.48Å; L647-I651 PolarHBondContact O-N 2.93Å; L647-I651 VanDerWaalsContact O-N 3.09Å; A648-I651 WeakPolarHBondContact O-CB 3.05Å; A648-I651 PolarHBondContact O-N 3.2Å; E649-I651 VanDerWaalsContact C-N 3.29Å; E649-I651 PolarHBondContact O-N 3.46Å; I651-T653 PolarHBondContact O-N 2.84Å; I651-K654 PolarHBondContact O-N 3.12Å; I651-F655 HydrophobicContact CG2-CD1 4.3Å; I651-F655 HydrophobicContact CG2-CD2 4.09Å; I651-F655 HydrophobicContact CG2-CE1 3.92Å; I651-F655 HydrophobicContact CG2-CE2 3.68Å; I651-F655 HydrophobicContact CG2-CG 4.39Å; I651-F655 HydrophobicContact CG2-CZ 3.59Å; I651-F655 WeakPolarHBondContact O-CD1 2.84Å; I651-F655 WeakPolarHBondContact O-CG 2.62Å; I651-F655 PolarHBondContact O-N 3.17Å
652R93.6Very high91.8Very high98 Ų9875.3 Ų75.337%0.3737%0.371SS..Hα-helixtrans-58.4-49.7179.1-70.7-175.2-173.8107.15.1111.8A648 E649 K654 F655 D656A648-R652 WeakPolarHBondContact O-CG 3.33Å; A648-R652 PolarHBondContact O-N 3.45Å; E649-R652 PolarHBondContact O-N 3.36Å; E649-R652 IonicContact OE2-NH1 2.7Å; R652-K654 VanDerWaalsContact C-N 3.27Å; R652-K654 PolarHBondContact O-N 3.36Å; R652-F655 WeakPolarHBondContact O-CA 3.33Å; R652-F655 WeakPolarHBondContact O-CB 3.17Å; R652-F655 PolarHBondContact O-N 2.99Å; R652-D656 PolarHBondContact O-N 2.63Å
653T93.8Very high91.7Very high80 Ų8078.8 Ų78.849%0.49139%0.392SS..Hα-helixtrans-56.2-40.8178.4-54.80000112.2E649 I651 K657E649-T653 WeakPolarHBondContact O-CB 3.27Å; E649-T653 PolarHBondContact O-N 3.44Å; E649-T653 PolarHBondContact O-OG1 3.37Å; I651-T653 PolarHBondContact O-N 2.84Å; T653-K657 WeakPolarHBondContact O-CB 3.41Å; T653-K657 PolarHBondContact O-N 2.93Å; T653-K657 VanDerWaalsContact O-N 3.12Å
654K93.5Very high91.5Very high85 Ų8587 Ų8737%0.3743%0.425SS..Hα-helixtrans-70.5-36.9176.8-78.2178.4178.4175.40112.4L621 E650 I651 R652 W658L621-K654 HydrophobicContact CD1-CD 3.9Å; L621-K654 HydrophobicContact CD2-CB 3.8Å; L621-K654 HydrophobicContact CD2-CD 3.63Å; L621-K654 HydrophobicContact CD2-CG 4.36Å; L621-K654 HydrophobicContact CG-CD 4.44Å; E650-K654 WeakPolarHBondContact O-CB 3.4Å; E650-K654 WeakPolarHBondContact O-CG 3.36Å; E650-K654 PolarHBondContact O-N 3.4Å; E650-K654 VanDerWaalsContact O-N 3.16Å; I651-K654 PolarHBondContact O-N 3.12Å; R652-K654 VanDerWaalsContact C-N 3.27Å; R652-K654 PolarHBondContact O-N 3.36Å; K654-W658 PolarHBondContact O-N 3.05Å
655F94.2Very high91.2Very high13 Ų1396.2 Ų96.26%0.05747%0.465CS..Hα-helixtrans-66.3-40.7177.5-76.97.7000111.6L606 L610 L621 V622 I651 R652 W658 Q659L606-F655 HydrophobicContact CB-CE2 4.48Å; L606-F655 WeakPolarHBondContact O-CE2 3.35Å; L610-F655 HydrophobicContact CD1-CD1 3.93Å; L610-F655 HydrophobicContact CD1-CD2 3.76Å; L610-F655 HydrophobicContact CD1-CE1 3.73Å; L610-F655 HydrophobicContact CD1-CE2 3.55Å; L610-F655 HydrophobicContact CD1-CG 3.94Å; L610-F655 HydrophobicContact CD1-CZ 3.53Å; L610-F655 HydrophobicContact CD2-CB 3.95Å; L610-F655 HydrophobicContact CD2-CD1 4.41Å; L610-F655 HydrophobicContact CD2-CD2 3.93Å; L610-F655 HydrophobicContact CD2-CG 3.85Å; L610-F655 HydrophobicContact CG-CD2 3.87Å; L610-F655 HydrophobicContact CG-CE2 4.02Å; L610-F655 HydrophobicContact CG-CG 4.2Å; L610-F655 HydrophobicContact CG-CZ 4.48Å; L621-F655 HydrophobicContact CD2-CD1 4.22Å; L621-F655 HydrophobicContact CD2-CE1 3.82Å; V622-F655 HydrophobicContact CG2-CZ 3.93Å; I651-F655 HydrophobicContact CG2-CD1 4.3Å; I651-F655 HydrophobicContact CG2-CD2 4.09Å; I651-F655 HydrophobicContact CG2-CE1 3.92Å; I651-F655 HydrophobicContact CG2-CE2 3.68Å; I651-F655 HydrophobicContact CG2-CG 4.39Å; I651-F655 HydrophobicContact CG2-CZ 3.59Å; I651-F655 WeakPolarHBondContact O-CD1 2.84Å; I651-F655 WeakPolarHBondContact O-CG 2.62Å; I651-F655 PolarHBondContact O-N 3.17Å; R652-F655 WeakPolarHBondContact O-CA 3.33Å; R652-F655 WeakPolarHBondContact O-CB 3.17Å; R652-F655 PolarHBondContact O-N 2.99Å; F655-W658 AromaticContact CD1-CE3 3.98Å; F655-W658 HydrophobicContact CD1-CE3 3.98Å; F655-W658 AromaticContact CD1-CZ3 3.81Å; F655-W658 HydrophobicContact CD1-CZ3 3.81Å; F655-W658 HydrophobicContact CE1-CE3 4.37Å; F655-W658 HydrophobicContact CE1-CH2 4.41Å; F655-W658 AromaticContact CE1-CZ3 3.76Å; F655-W658 HydrophobicContact CE1-CZ3 3.76Å; F655-W658 PolarHBondContact O-N 3.19Å; F655-Q659 WeakPolarHBondContact O-CG 3.41Å; F655-Q659 PolarHBondContact O-N 3.31Å; F655-Q659 PolarHBondContact O-NE2 3.37Å; F655-Q659 VanDerWaalsContact O-NE2 3.11Å
656D92.5Very high90.9Very high96 Ų9697.2 Ų97.251%0.51348%0.477SS..Hα-helixtrans-64.1-48.3175.5-64.5-23.2000110.4R652 W658 Q659 E660R652-D656 PolarHBondContact O-N 2.63Å; D656-W658 VanDerWaalsContact C-N 3.26Å; D656-W658 PolarHBondContact O-N 3.21Å; D656-Q659 PolarHBondContact O-N 3.42Å; D656-E660 PolarHBondContact O-N 3.41Å
657K92.8Very high90.6Very high147 Ų14799.1 Ų99.164%0.63949%0.489SS*.Hα-helixtrans-59.1-31.7177.1-173.4173.4-175.1171.80114T653 Q659T653-K657 WeakPolarHBondContact O-CB 3.41Å; T653-K657 PolarHBondContact O-N 2.93Å; T653-K657 VanDerWaalsContact O-N 3.12Å; K657-Q659 VanDerWaalsContact C-N 3.34Å
658W92.1Very high90.2Very high59 Ų59107.6 Ų107.622%0.22353%0.526CS..Hα-helixtrans-76.6-23.5177.2-67.8-10.3000113.4L614 R617 L621 K654 F655 D656L614-W658 HydrophobicContact CD1-CB 4.24Å; R617-W658 HydrophobicContact CB-CH2 4.49Å; R617-W658 HydrophobicContact CB-CZ3 4.16Å; R617-W658 HydrophobicContact CG-CE3 4.33Å; R617-W658 HydrophobicContact CG-CH2 3.66Å; R617-W658 HydrophobicContact CG-CZ2 4.16Å; R617-W658 HydrophobicContact CG-CZ3 3.76Å; R617-W658 VanDerWaalsContact CZ-CE2 3.45Å; L621-W658 HydrophobicContact CB-CH2 4.06Å; L621-W658 HydrophobicContact CD2-CH2 3.82Å; L621-W658 HydrophobicContact CD2-CZ2 4.31Å; L621-W658 HydrophobicContact CD2-CZ3 4.47Å; K654-W658 PolarHBondContact O-N 3.05Å; F655-W658 AromaticContact CD1-CE3 3.98Å; F655-W658 HydrophobicContact CD1-CE3 3.98Å; F655-W658 AromaticContact CD1-CZ3 3.81Å; F655-W658 HydrophobicContact CD1-CZ3 3.81Å; F655-W658 HydrophobicContact CE1-CE3 4.37Å; F655-W658 HydrophobicContact CE1-CH2 4.41Å; F655-W658 AromaticContact CE1-CZ3 3.76Å; F655-W658 HydrophobicContact CE1-CZ3 3.76Å; F655-W658 PolarHBondContact O-N 3.19Å; D656-W658 VanDerWaalsContact C-N 3.26Å; D656-W658 PolarHBondContact O-N 3.21Å
659Q90.2Very high90Very high100 Ų100112.7 Ų112.747%0.46756%0.559SS.*Hα-helixtrans-84.2-17.3176.7-68.6175.683.300112L614 F655 D656 K657L614-Q659 HydrophobicContact CD1-CG 4.07Å; F655-Q659 WeakPolarHBondContact O-CG 3.41Å; F655-Q659 PolarHBondContact O-N 3.31Å; F655-Q659 PolarHBondContact O-NE2 3.37Å; F655-Q659 VanDerWaalsContact O-NE2 3.11Å; D656-Q659 PolarHBondContact O-N 3.42Å; K657-Q659 VanDerWaalsContact C-N 3.34Å
660E90.1Very high89.6Confident134 Ų134115.6 Ų115.663%0.62658%0.577SS**SBendtrans-65.6127.3172.8-70177.6-177.600112.1D656D656-E660 PolarHBondContact O-N 3.41Å
661P87.4Confident89.2Confident112 Ų112117.9 Ų117.973%0.72760%0.597SS**PPolyproline II helixtrans-70.4145.7175.828.7-33.7000111.2
662P86.4Confident88.7Confident114 Ų114126.3 Ų126.374%0.7463%0.634SS**PPolyproline II helixtrans-63148.317527.4-34.4000110.8K664P662-K664 PolarHBondContact O-N 3.34Å
663P87.7Confident88.3Confident121 Ų121128.2 Ų128.279%0.78666%0.659SS**PPolyproline II helixtrans-59.7135.2177.424.9-33.4000110.2K665P663-K665 PolarHBondContact O-N 2.76Å; P663-K665 VanDerWaalsContact O-N 3.13Å
664K85.4Confident87.7Confident201 Ų201130.7 Ų130.787%0.87467%0.668SS**PPolyproline II helixtrans-58.6118.3-177.7-171.6176-178.4178.20109.7P662 Q666P662-K664 PolarHBondContact O-N 3.34Å; K664-Q666 PolarHBondContact O-N 2.87Å
665K83.7Confident87.1Confident194 Ų194135 Ų13584%0.84370%0.696SS**PPolyproline II helixtrans-58127.7174.2-67.7-176.2-178.3177.70108.9P663P663-K665 PolarHBondContact O-N 2.76Å; P663-K665 VanDerWaalsContact O-N 3.13Å
666Q85.5Confident86.2Confident187 Ų187141.9 Ų141.987%0.87473%0.728SS**PPolyproline II helixtrans-60.2140.4172.7-66.4-1771.500109.6K664 K668K664-Q666 PolarHBondContact O-N 2.87Å; Q666-K668 PolarHBondContact O-N 3.45Å
667I86Confident85.5Confident160 Ų160141.8 Ų141.882%0.82174%0.74SS**  trans-64.9109.9177.8-59.2173.3000107.4P669I667-P669 WeakPolarHBondContact O-CD 3.29Å
668K85.5Confident84.2Confident191 Ų191139.3 Ų139.383%0.8374%0.741SS**PPolyproline II helixtrans-69.7117.3176.5-170174.9-178176.50108.1Q666Q666-K668 PolarHBondContact O-N 3.45Å
669P87.4Confident83.2Confident108 Ų108143.9 Ų143.970%0.70176%0.763SS**PPolyproline II helixtrans-61145.1178.825.1-32.9000109.9I667I667-P669 WeakPolarHBondContact O-CD 3.29Å
670L86.7Confident82.1Confident163 Ų163148.5 Ų148.585%0.85378%0.781SS**PPolyproline II helixtrans-59.4143.7173.2-68.2172000109.3
671P84.9Confident80.7Confident113 Ų113150.6 Ų150.673%0.73478%0.784SS**PPolyproline II helixtrans-58.5143.9170.425.6-31.8000109.3
672K84.1Confident79.8Confident177 Ų177149.3 Ų149.377%0.7779%0.79SS**PPolyproline II helixtrans-53.5136.4177-63.7-178.8-179.7-178.30109.4L674K672-L674 HydrophobicContact CB-CD1 4.42Å; K672-L674 HydrophobicContact CB-CG 4.24Å; K672-L674 PolarHBondContact O-N 3.05Å
673P84.6Confident79.4Confident138 Ų138145.7 Ų145.790%0.89677%0.774SS**  trans-74.965.6-178.132.5-36.2000110.9
674L81.6Confident78.9Confident132 Ų132145.9 Ų145.969%0.69176%0.759SS**  trans-87.2123.4173.5-65.9169.5000108.3K672 Q676K672-L674 HydrophobicContact CB-CD1 4.42Å; K672-L674 HydrophobicContact CB-CG 4.24Å; K672-L674 PolarHBondContact O-N 3.05Å; L674-Q676 VanDerWaalsContact C-N 3.33Å; L674-Q676 PolarHBondContact O-N 3.29Å
675D80.5Confident78.4Confident176 Ų176146.3 Ų146.394%0.94176%0.755SS**  trans-65.292.9168.7-93.9-25.9000109.2
676Q75Confident78.1Confident156 Ų156139.5 Ų139.573%0.72973%0.73SS**PPolyproline II helixtrans-68.6136174.7-65.4-173.99.100109.5L674 S678L674-Q676 VanDerWaalsContact C-N 3.33Å; L674-Q676 PolarHBondContact O-N 3.29Å; Q676-S678 PolarHBondContact O-N 2.94Å
677A77.1Confident77.8Confident94 Ų94138 Ų13878%0.77772%0.716SS**PPolyproline II helixtrans-50.8127.2173.200000110.8K679A677-K679 PolarHBondContact O-N 2.72Å; A677-K679 VanDerWaalsContact O-N 3.15Å
678S67.4Low77.4Confident95 Ų95135.3 Ų135.366%0.66470%0.698SS**PPolyproline II helixtrans-57.2121.2-175.772.70000111Q676 K680Q676-S678 PolarHBondContact O-N 2.94Å; S678-K680 PolarHBondContact O-N 3.36Å
679K70.3Confident76.8Confident156 Ų156131.4 Ų131.468%0.67869%0.685SS**  trans-7096.1175.5-70.1-179.3-179173.80108.9A677 R681A677-K679 PolarHBondContact O-N 2.72Å; A677-K679 VanDerWaalsContact O-N 3.15Å; K679-R681 PolarHBondContact O-N 3.38Å
680K66.5Low76.5Confident196 Ų196132.7 Ų132.785%0.85268%0.679SS**  trans-71.653.9175.7-65.8-174.1-179.5178.60112.8S678 G682S678-K680 PolarHBondContact O-N 3.36Å; K680-G682 PolarHBondContact O-N 3.12Å
681R62.1Low75.9Confident179 Ų179127.7 Ų127.768%0.67565%0.651SS**  trans-79.8107.3176.1-67.1-174.8-178.4-166.4-1.4110K679 V686K679-R681 PolarHBondContact O-N 3.38Å; R681-V686 WeakPolarHBondContact O-CG1 3.08Å
682G66.8Low75.4Confident84 Ų84130 Ų13087%0.86665%0.645SS**  trans-85.3121.9168.200000110K680K680-G682 PolarHBondContact O-N 3.12Å
683G78.6Confident75Confident38 Ų38128.4 Ų128.439%0.39264%0.644SS.*  trans-172.1154.3176.100000111.9R685 V686 R687G683-R685 PolarHBondContact O-N 2.95Å; G683-R685 VanDerWaalsContact O-N 3.12Å; G683-V686 CarbonylContact O-C 3.55Å; G683-V686 PolarHBondContact O-N 3.03Å; G683-R687 WeakPolarHBondContact O-CB 3.36Å; G683-R687 PolarHBondContact O-N 3.15Å
684R77.2Confident74.6Confident126 Ų126123.5 Ų123.548%0.47562%0.619SS.*Hα-helixtrans-53.4-37.6-174.1-169.7178.2-178.4-165.20.3113.4K688 I973R684-K688 VanDerWaalsContact O-CB 3.3Å; R684-K688 WeakPolarHBondContact O-CB 3.15Å; R684-K688 VanDerWaalsContact O-CG 3.3Å; R684-K688 WeakPolarHBondContact O-CG 3.42Å; R684-K688 PolarHBondContact O-N 3.3Å; R684-I973 VanDerWaalsContact NH1-CD1 3.26Å
685R74.2Confident74.5Confident209 Ų209122.3 Ų122.379%0.78961%0.613SS**Hα-helixtrans-70.7-43.2177.1-170.7177178.1177.3-0112.3G683 K688 M689G683-R685 PolarHBondContact O-N 2.95Å; G683-R685 VanDerWaalsContact O-N 3.12Å; R685-K688 PolarHBondContact O-N 2.93Å; R685-M689 WeakPolarHBondContact O-CB 3.23Å; R685-M689 PolarHBondContact O-N 3.24Å
686V77.4Confident74.3Confident52 Ų52115.5 Ų115.532%0.31558%0.577SS.*Hα-helixtrans-67.6-38.9176.2-179.90000110.5R681 G683 M689 K690R681-V686 WeakPolarHBondContact O-CG1 3.08Å; G683-V686 CarbonylContact O-C 3.55Å; G683-V686 PolarHBondContact O-N 3.03Å; V686-M689 PolarHBondContact O-N 2.97Å; V686-K690 HydrophobicContact CG1-CD 4.21Å; V686-K690 HydrophobicContact CG1-CG 4.34Å; V686-K690 WeakPolarHBondContact O-CB 3.11Å; V686-K690 WeakPolarHBondContact O-CG 3.35Å; V686-K690 PolarHBondContact O-N 3.13Å
687R79.8Confident74.4Confident154 Ų154113.1 Ų113.158%0.58157%0.566SS**Hα-helixtrans-63.7-49.3173.9-155-176.768.8-163.8-2.1111.1G683 M689 K690 E691G683-R687 WeakPolarHBondContact O-CB 3.36Å; G683-R687 PolarHBondContact O-N 3.15Å; R687-M689 PolarHBondContact O-N 2.75Å; R687-K690 PolarHBondContact O-N 3.46Å; R687-E691 VanDerWaalsContact CG-OE1 3.32Å; R687-E691 WeakPolarHBondContact CG-OE1 3.48Å; R687-E691 IonicContact NE-OE1 2.89Å; R687-E691 PolarHBondContact NE-OE1 3.39Å; R687-E691 VanDerWaalsContact NE-OE1 3.08Å; R687-E691 VanDerWaalsContact O-CB 3.28Å; R687-E691 WeakPolarHBondContact O-CB 3.4Å; R687-E691 WeakPolarHBondContact O-CG 3.43Å; R687-E691 PolarHBondContact O-N 3.31Å
688K77.3Confident74.3Confident104 Ų104112.3 Ų112.345%0.45255%0.549SS..Hα-helixtrans-60.1-26.4172.3-78.5-175.5176.3-172.80113.8R684 R685 R692R684-K688 VanDerWaalsContact O-CB 3.3Å; R684-K688 WeakPolarHBondContact O-CB 3.15Å; R684-K688 VanDerWaalsContact O-CG 3.3Å; R684-K688 WeakPolarHBondContact O-CG 3.42Å; R684-K688 PolarHBondContact O-N 3.3Å; R685-K688 PolarHBondContact O-N 2.93Å; K688-R692 WeakPolarHBondContact O-CG 3.32Å; K688-R692 PolarHBondContact O-N 2.89Å; K688-R692 PolarHBondContact O-NE 3.04Å
689M74.4Confident74.8Confident110 Ų110114.1 Ų114.154%0.54254%0.541SS..Hα-helixtrans-80.4-44.7175.2-177.5177174.400111.4R685 V686 R687 E691 R692 L693R685-M689 WeakPolarHBondContact O-CB 3.23Å; R685-M689 PolarHBondContact O-N 3.24Å; V686-M689 PolarHBondContact O-N 2.97Å; R687-M689 PolarHBondContact O-N 2.75Å; M689-E691 VanDerWaalsContact C-N 3.34Å; M689-R692 WeakPolarHBondContact O-CB 3.14Å; M689-R692 PolarHBondContact O-N 3.42Å; M689-L693 HydrophobicContact CE-CD1 4.45Å; M689-L693 PolarHBondContact O-N 3.38Å; M689-L693 VanDerWaalsContact O-N 3.16Å
690K79.5Confident75.3Confident135 Ų135112 Ų11259%0.58753%0.528SS*.Hα-helixtrans-63.5-37.4173.1-73.7-177.9175.4-173.70112.1V686 R687 R692 L693 G694V686-K690 HydrophobicContact CG1-CD 4.21Å; V686-K690 HydrophobicContact CG1-CG 4.34Å; V686-K690 WeakPolarHBondContact O-CB 3.11Å; V686-K690 WeakPolarHBondContact O-CG 3.35Å; V686-K690 PolarHBondContact O-N 3.13Å; R687-K690 PolarHBondContact O-N 3.46Å; K690-R692 VanDerWaalsContact C-N 3.32Å; K690-L693 PolarHBondContact O-N 2.95Å; K690-G694 VanDerWaalsContact O-CA 3.29Å; K690-G694 WeakPolarHBondContact O-CA 3.18Å; K690-G694 PolarHBondContact O-N 3.42Å
691E75.2Confident75.8Confident57 Ų57107.4 Ų107.427%0.26651%0.509SS..Hα-helixtrans-64.9-34.4173.1-74.2172.2-14400111.4R687 M689 K743R687-E691 VanDerWaalsContact CG-OE1 3.32Å; R687-E691 WeakPolarHBondContact CG-OE1 3.48Å; R687-E691 IonicContact NE-OE1 2.89Å; R687-E691 PolarHBondContact NE-OE1 3.39Å; R687-E691 VanDerWaalsContact NE-OE1 3.08Å; R687-E691 VanDerWaalsContact O-CB 3.28Å; R687-E691 WeakPolarHBondContact O-CB 3.4Å; R687-E691 WeakPolarHBondContact O-CG 3.43Å; R687-E691 PolarHBondContact O-N 3.31Å; M689-E691 VanDerWaalsContact C-N 3.34Å; E691-K743 WeakPolarHBondContact OE2-CD 3.49Å; E691-K743 WeakPolarHBondContact OE2-CE 3.49Å; E691-K743 IonicContact OE2-NZ 2.54Å; E691-K743 PolarHBondContact OE2-NZ 2.91Å
692R74.5Confident76.5Confident161 Ų16199.3 Ų99.361%0.60848%0.48SS*.Hα-helixtrans-70.9-32.3176-90.1-174.4-82.6173.7-7.5113.8K688 M689 K690K688-R692 WeakPolarHBondContact O-CG 3.32Å; K688-R692 PolarHBondContact O-N 2.89Å; K688-R692 PolarHBondContact O-NE 3.04Å; M689-R692 WeakPolarHBondContact O-CB 3.14Å; M689-R692 PolarHBondContact O-N 3.42Å; K690-R692 VanDerWaalsContact C-N 3.32Å
693L75.6Confident77.2Confident144 Ų14499.8 Ų99.875%0.75446%0.463SS*.Hα-helixtrans-99.7-7.4-179.6-63.7174.3000113.1M689 K690M689-L693 HydrophobicContact CE-CD1 4.45Å; M689-L693 PolarHBondContact O-N 3.38Å; M689-L693 VanDerWaalsContact O-N 3.16Å; K690-L693 PolarHBondContact O-N 2.95Å
694G75.1Confident77.3Confident35 Ų35104.6 Ų104.636%0.36147%0.469SS..SBendtrans-84.9152.9-172.800000112.9K690 T696K690-G694 VanDerWaalsContact O-CA 3.29Å; K690-G694 WeakPolarHBondContact O-CA 3.18Å; K690-G694 PolarHBondContact O-N 3.42Å; G694-T696 PolarHBondContact O-N 3.36Å
695L80.2Confident77.2Confident107 Ų107106 Ų10656%0.5648%0.483SS*.PPolyproline II helixtrans-62.6124.2171.7-74.7155.8000110.4R699 R700L695-R699 HydrophobicContact CD2-CB 4.25Å; L695-R699 HydrophobicContact CD2-CG 3.64Å; L695-R700 HydrophobicContact CB-CG 4.35Å; L695-R700 PolarHBondContact O-NE 3.06Å; L695-R700 PolarHBondContact O-NH2 3.03Å
696T77.3Confident77.3Confident33 Ų3398.2 Ų98.220%0.20246%0.457CS..PPolyproline II helixtrans-62.9156177.459.60000111.5G694 L698 R699 R700 T744G694-T696 PolarHBondContact O-N 3.36Å; T696-L698 PolarHBondContact O-N 2.92Å; T696-R699 CarbonylContact O-C 3.46Å; T696-R699 PolarHBondContact O-N 3.03Å; T696-R699 VanDerWaalsContact O-N 3.09Å; T696-R699 WeakPolarHBondContact OG1-CB 3.42Å; T696-R699 PolarHBondContact OG1-N 2.85Å; T696-R700 PolarHBondContact O-N 3.06Å; T696-T744 HydrophobicContact CG2-CG2 3.31Å
697E75.4Confident77.2Confident106 Ų106106 Ų10650%0.49549%0.487SS..Hα-helixtrans-57.9-36.5173-68.3-62.3158.200111.8R700 K701E697-R700 VanDerWaalsContact CD-NH1 3.27Å; E697-R700 PolarHBondContact O-N 2.93Å; E697-R700 IonicContact OE1-CZ 2.82Å; E697-R700 IonicContact OE1-NH1 3.2Å; E697-R700 PolarHBondContact OE1-NH1 3.08Å; E697-R700 IonicContact OE1-NH2 3.09Å; E697-R700 PolarHBondContact OE1-NH2 2.84Å; E697-R700 VanDerWaalsContact OE1-NH2 3.1Å; E697-R700 IonicContact OE2-CZ 3.4Å; E697-R700 IonicContact OE2-NH1 3.86Å; E697-R700 PolarHBondContact OE2-NH1 3.16Å; E697-K701 WeakPolarHBondContact O-CG 3.05Å; E697-K701 PolarHBondContact O-N 3.18Å
698L75.3Confident76.9Confident77 Ų77102.3 Ų102.340%0.40350%0.497SS..Hα-helixtrans-61.9-45.9174.3-168.5149.3000110.8T696 R700 K701 A702 I726 P738T696-L698 PolarHBondContact O-N 2.92Å; L698-R700 PolarHBondContact O-N 3.45Å; L698-K701 PolarHBondContact O-N 2.82Å; L698-A702 PolarHBondContact O-N 3.41Å; L698-I726 HydrophobicContact CD2-CD1 3.88Å; L698-I726 HydrophobicContact CG-CD1 4.12Å; L698-P738 HydrophobicContact CD1-CB 4.28Å; L698-P738 HydrophobicContact CD1-CG 3.97Å
699R77.7Confident76.5Confident133 Ų133103.5 Ų103.550%0.50251%0.505SS..Hα-helixtrans-69.1-32.4176-165.162.8178.1-179.32.2112.5L695 T696 A702 N703L695-R699 HydrophobicContact CD2-CB 4.25Å; L695-R699 HydrophobicContact CD2-CG 3.64Å; T696-R699 CarbonylContact O-C 3.46Å; T696-R699 PolarHBondContact O-N 3.03Å; T696-R699 VanDerWaalsContact O-N 3.09Å; T696-R699 WeakPolarHBondContact OG1-CB 3.42Å; T696-R699 PolarHBondContact OG1-N 2.85Å; R699-A702 PolarHBondContact O-N 2.93Å; R699-N703 WeakPolarHBondContact O-CB 3.28Å; R699-N703 PolarHBondContact O-N 2.86Å; R699-N703 PolarHBondContact O-OD1 3.31Å
700R80.6Confident76.3Confident111 Ų111107 Ų10742%0.41953%0.525SS..Hα-helixtrans-65.1-38.5171.8-74.2-172.2-128.3147.612.4112.3L695 T696 E697 L698 N703 R704L695-R700 HydrophobicContact CB-CG 4.35Å; L695-R700 PolarHBondContact O-NE 3.06Å; L695-R700 PolarHBondContact O-NH2 3.03Å; T696-R700 PolarHBondContact O-N 3.06Å; E697-R700 VanDerWaalsContact CD-NH1 3.27Å; E697-R700 PolarHBondContact O-N 2.93Å; E697-R700 IonicContact OE1-CZ 2.82Å; E697-R700 IonicContact OE1-NH1 3.2Å; E697-R700 PolarHBondContact OE1-NH1 3.08Å; E697-R700 IonicContact OE1-NH2 3.09Å; E697-R700 PolarHBondContact OE1-NH2 2.84Å; E697-R700 VanDerWaalsContact OE1-NH2 3.1Å; E697-R700 IonicContact OE2-CZ 3.4Å; E697-R700 IonicContact OE2-NH1 3.86Å; E697-R700 PolarHBondContact OE2-NH1 3.16Å; L698-R700 PolarHBondContact O-N 3.45Å; R700-N703 PolarHBondContact O-N 3.13Å; R700-R704 WeakPolarHBondContact O-CG 3.11Å; R700-R704 PolarHBondContact O-N 3.05Å
701K77.2Confident75.6Confident100 Ų100103.4 Ų103.444%0.43551%0.51SS..Hα-helixtrans-69.7-38.2173.5-73.5-176.8176.9-172.80112.4E697 L698 N703 R704 Q725 I726E697-K701 WeakPolarHBondContact O-CG 3.05Å; E697-K701 PolarHBondContact O-N 3.18Å; L698-K701 PolarHBondContact O-N 2.82Å; K701-N703 VanDerWaalsContact C-N 3.26Å; K701-N703 PolarHBondContact O-N 2.89Å; K701-R704 PolarHBondContact O-N 3.47Å; K701-Q725 PolarHBondContact O-N 3.48Å; K701-I726 HydrophobicContact CB-CG1 3.8Å
702A77.5Confident75.1Confident9 Ų9107.1 Ų107.17%0.07453%0.527CS..Hα-helixtrans-59.8-38.1170.900000112L698 R699 R704 I726L698-A702 PolarHBondContact O-N 3.41Å; R699-A702 PolarHBondContact O-N 2.93Å; A702-R704 PolarHBondContact O-N 3.26Å; A702-I726 HydrophobicContact CB-CD1 3.69Å; A702-I726 HydrophobicContact CB-CG1 4.47Å
703N81.9Confident74.9Confident94 Ų94103.7 Ų103.750%0.50352%0.521SS..THydrogen-bonded Turntrans-79.51.8179.1-66.3-1.3000113.7R699 R700 K701R699-N703 WeakPolarHBondContact O-CB 3.28Å; R699-N703 PolarHBondContact O-N 2.86Å; R699-N703 PolarHBondContact O-OD1 3.31Å; R700-N703 PolarHBondContact O-N 3.13Å; K701-N703 VanDerWaalsContact C-N 3.26Å; K701-N703 PolarHBondContact O-N 2.89Å
704R79.7Confident74.6Confident139 Ų13999 Ų9953%0.52550%0.498SS..  trans-104.2126.3176.5-75175.5-175.1-167.7-0.6109.3R700 K701 A702 G724 Q725R700-R704 WeakPolarHBondContact O-CG 3.11Å; R700-R704 PolarHBondContact O-N 3.05Å; K701-R704 PolarHBondContact O-N 3.47Å; A702-R704 PolarHBondContact O-N 3.26Å; R704-G724 CarbonylContact O-C 3.54Å; R704-G724 WeakPolarHBondContact O-CA 3.26Å; R704-Q725 HydrophobicContact CB-CB 4.27Å; R704-Q725 HydrophobicContact CB-CG 3.98Å; R704-Q725 PolarHBondContact O-N 2.94Å
705M75.3Confident74.4Confident155 Ų155104.2 Ų104.276%0.76452%0.517SS*.  trans-111.2136.3-178.848.6-169.5-73.100110.3E711M705-E711 WeakPolarHBondContact CA-OE1 3.38Å
706N75.8Confident73.4Confident47 Ų47105 Ų10525%0.25152%0.518SS..  trans-76.7123.8173.2-78.6-10.1000109.9G708 E709 E711 Q725N706-G708 PolarHBondContact O-N 3.05Å; N706-E709 HydrophobicContact CB-CB 4.13Å; N706-E709 HydrophobicContact CB-CG 4.46Å; N706-E709 PolarHBondContact ND2-OE2 2.59Å; N706-E711 PolarHBondContact N-OE1 3.37Å; N706-Q725 WeakPolarHBondContact OD1-CG 3.5Å; N706-Q725 PolarHBondContact OD1-NE2 2.86Å
707F75Confident72.4Confident214 Ų214112 Ų11294%0.93955%0.548SS*.THydrogen-bonded Turntrans-70.7117.5177.8-175-96.8000109.9
708G75.3Confident71.8Confident78 Ų78115.1 Ų115.180%0.80457%0.568SS**THydrogen-bonded Turntrans94.61.8176.400000116.2N706N706-G708 PolarHBondContact O-N 3.05Å
709E69.1Low70.9Confident129 Ų129118.5 Ų118.560%0.60358%0.584SS**  trans-112.5135174.5-68-178.5162.500110.6N706 E711N706-E709 HydrophobicContact CB-CB 4.13Å; N706-E709 HydrophobicContact CB-CG 4.46Å; N706-E709 PolarHBondContact ND2-OE2 2.59Å; E709-E711 PolarHBondContact O-N 3.33Å
710L68.5Low70.3Confident184 Ų184115.7 Ų115.796%0.96358%0.584SS**PPolyproline II helixtrans-75.2117.7171-86.2154.2000109.1
711E65Low69.8Low58 Ų58114.3 Ų114.327%0.27158%0.581SS.*PPolyproline II helixtrans-83.7148.7177.3-65.6-169.9174.700111.9M705 N706 E709 G724M705-E711 WeakPolarHBondContact CA-OE1 3.38Å; N706-E711 PolarHBondContact N-OE1 3.37Å; E709-E711 PolarHBondContact O-N 3.33Å; E711-G724 WeakPolarHBondContact OE1-CA 3.44Å; E711-G724 WeakPolarHBondContact OE2-CA 3.28Å; E711-G724 PolarHBondContact OE2-N 2.85Å
712E65.6Low69.6Low135 Ų135113 Ų11363%0.63158%0.582SS**PPolyproline II helixtrans-79.7120.9174.2-74.6-178.2162.400111K727E712-K727 IonicContact OE2-NZ 3.99Å; E712-K727 PolarHBondContact OE2-NZ 3.14Å
713D69.7Low69.2Low89 Ų89114 Ų11448%0.47659%0.586SS.*EExtended strand (participates in β ladder)trans-70.6133.2170.5-79.3-26000111.2T722D713-T722 WeakPolarHBondContact OD1-CG2 3.43Å
714V68.4Low68.9Low47 Ų47110 Ų11029%0.28557%0.567SS.*EExtended strand (participates in β ladder)trans-93.2118.1166-179.20000108F721 L723V714-F721 HydrophobicContact CB-CD2 4.35Å; V714-F721 HydrophobicContact CB-CE1 4.06Å; V714-F721 HydrophobicContact CB-CE2 3.83Å; V714-F721 HydrophobicContact CB-CZ 3.68Å; V714-F721 HydrophobicContact CG1-CE1 3.91Å; V714-F721 HydrophobicContact CG1-CE2 4.16Å; V714-F721 HydrophobicContact CG1-CZ 3.53Å; V714-F721 HydrophobicContact CG2-CE2 4.33Å; V714-F721 PolarHBondContact N-O 3.28Å; V714-F721 VanDerWaalsContact N-O 3.09Å; V714-F721 PolarHBondContact O-N 3.43Å; V714-L723 HydrophobicContact CG2-CD1 3.39Å; V714-L723 HydrophobicContact CG2-CD2 4.28Å; V714-L723 HydrophobicContact CG2-CG 3.62Å
715L71Confident68.8Low144 Ų144106 Ų10675%0.75455%0.554SS**EExtended strand (participates in β ladder)trans-86.2120175.5-71.1162.5000109.4
716Q59.4Low68.6Low123 Ų123100 Ų10058%0.57553%0.525SS*.EExtended strand (participates in β ladder)trans-133.8116.4167.2-173.5166.67.400108.9D718 M719 F721Q716-D718 PolarHBondContact O-N 3.05Å; Q716-M719 PolarHBondContact N-O 3.12Å; Q716-M719 PolarHBondContact O-N 3Å; Q716-F721 HydrophobicContact CB-CE1 4.08Å
717E57.1Low68.1Low180 Ų180102.1 Ų102.184%0.84153%0.532SS*.THydrogen-bonded Turntrans40.461.1173.4-63.1178-175.900113.2M719E717-M719 PolarHBondContact O-N 3.06Å
718D63.3Low67.5Low171 Ų17196.1 Ų96.191%0.91452%0.516SS*.THydrogen-bonded Turntrans73.53173-55.1-31.6000118.7Q716Q716-D718 PolarHBondContact O-N 3.05Å
719M55.7Low66.5Low149 Ų14994.3 Ų94.373%0.73450%0.498SS*.EExtended strand (participates in β ladder)trans-118.1121.4171.3-70.9-99.7-73.300110.4Q716 E717Q716-M719 PolarHBondContact N-O 3.12Å; Q716-M719 PolarHBondContact O-N 3Å; E717-M719 PolarHBondContact O-N 3.06Å
720S66.3Low65.7Low73 Ų7390.9 Ų90.951%0.5150%0.497SS..EExtended strand (participates in β ladder)trans-79.7134.8170.162.60000110
721F70.2Confident65.1Low82 Ų8289.3 Ų89.336%0.3650%0.498SS..EExtended strand (participates in β ladder)trans-127.7136.6166.963.7-89000110.2V714 Q716 L723V714-F721 HydrophobicContact CB-CD2 4.35Å; V714-F721 HydrophobicContact CB-CE1 4.06Å; V714-F721 HydrophobicContact CB-CE2 3.83Å; V714-F721 HydrophobicContact CB-CZ 3.68Å; V714-F721 HydrophobicContact CG1-CE1 3.91Å; V714-F721 HydrophobicContact CG1-CE2 4.16Å; V714-F721 HydrophobicContact CG1-CZ 3.53Å; V714-F721 HydrophobicContact CG2-CE2 4.33Å; V714-F721 PolarHBondContact N-O 3.28Å; V714-F721 VanDerWaalsContact N-O 3.09Å; V714-F721 PolarHBondContact O-N 3.43Å; Q716-F721 HydrophobicContact CB-CE1 4.08Å; F721-L723 HydrophobicContact CD2-CD2 4.42Å; F721-L723 HydrophobicContact CE2-CD2 3.92Å
722T71.3Confident64.4Low74 Ų7489 Ų8945%0.45451%0.51SS..EExtended strand (participates in β ladder)trans-77.7140.817663.10000109.7D713D713-T722 WeakPolarHBondContact OD1-CG2 3.43Å
723L70.5Confident64Low29 Ų2986.5 Ų86.515%0.15252%0.52CS..  trans-86.9-9.1175-75.2175.3000112.9V714 F721 I726 K727V714-L723 HydrophobicContact CG2-CD1 3.39Å; V714-L723 HydrophobicContact CG2-CD2 4.28Å; V714-L723 HydrophobicContact CG2-CG 3.62Å; F721-L723 HydrophobicContact CD2-CD2 4.42Å; F721-L723 HydrophobicContact CE2-CD2 3.92Å; L723-I726 WeakPolarHBondContact O-CB 3.36Å; L723-I726 WeakPolarHBondContact O-CD1 3.32Å; L723-I726 WeakPolarHBondContact O-CG1 3.44Å; L723-I726 PolarHBondContact O-N 3.04Å; L723-K727 HydrophobicContact CD1-CD 4.39Å
724G75.6Confident63.3Low9 Ų992.9 Ų92.99%0.09354%0.538CS..G310 helixtrans59.3-147.2-179.100000112.4R704 E711 I726R704-G724 CarbonylContact O-C 3.54Å; R704-G724 WeakPolarHBondContact O-CA 3.26Å; E711-G724 WeakPolarHBondContact OE1-CA 3.44Å; E711-G724 WeakPolarHBondContact OE2-CA 3.28Å; E711-G724 PolarHBondContact OE2-N 2.85Å; G724-I726 PolarHBondContact O-N 3.34Å
725Q76Confident62.8Low57 Ų5795 Ų9527%0.26655%0.547SS..G310 helixtrans-7110.9173.7-69.7-178.1-18.500115.1K701 R704 N706 K727 S728K701-Q725 PolarHBondContact O-N 3.48Å; R704-Q725 HydrophobicContact CB-CB 4.27Å; R704-Q725 HydrophobicContact CB-CG 3.98Å; R704-Q725 PolarHBondContact O-N 2.94Å; N706-Q725 WeakPolarHBondContact OD1-CG 3.5Å; N706-Q725 PolarHBondContact OD1-NE2 2.86Å; Q725-K727 PolarHBondContact O-N 3.4Å; Q725-S728 PolarHBondContact O-OG 3.26Å
726I71.5Confident61.9Low27 Ų2798.6 Ų98.614%0.13855%0.551CS.*G310 helixtrans-64.8-28.2176.9-68.2176.7000111.3L698 K701 A702 L723 G724 L735L698-I726 HydrophobicContact CD2-CD1 3.88Å; L698-I726 HydrophobicContact CG-CD1 4.12Å; K701-I726 HydrophobicContact CB-CG1 3.8Å; A702-I726 HydrophobicContact CB-CD1 3.69Å; A702-I726 HydrophobicContact CB-CG1 4.47Å; L723-I726 WeakPolarHBondContact O-CB 3.36Å; L723-I726 WeakPolarHBondContact O-CD1 3.32Å; L723-I726 WeakPolarHBondContact O-CG1 3.44Å; L723-I726 PolarHBondContact O-N 3.04Å; G724-I726 PolarHBondContact O-N 3.34Å; I726-L735 HydrophobicContact CG2-CD2 3.27Å; I726-L735 HydrophobicContact CG2-CG 4.41Å
727K66.7Low61.7Low93 Ų9398.9 Ų98.940%0.40456%0.561SS.*G310 helixtrans-83.3-4.8-177.4-91.7-178171.3170.30115.9E712 L723 Q725 G729E712-K727 IonicContact OE2-NZ 3.99Å; E712-K727 PolarHBondContact OE2-NZ 3.14Å; L723-K727 HydrophobicContact CD1-CD 4.39Å; Q725-K727 PolarHBondContact O-N 3.4Å; K727-G729 PolarHBondContact O-N 3.11Å
728S61.3Low61.6Low87 Ų8792.8 Ų92.861%0.60854%0.537SS*.  trans-73.637.8-167.8-47.40000116.3Q725Q725-S728 PolarHBondContact O-OG 3.26Å
729G53.6Low61.3Low41 Ų4193.5 Ų93.542%0.42354%0.535SS..SBendtrans-128.369.1-175.300000114.1K727K727-G729 PolarHBondContact O-N 3.11Å
730G54.2Low61.5Low57 Ų5793.6 Ų93.659%0.58854%0.537SS*.  trans83164.1168.900000115.9G732G730-G732 PolarHBondContact O-N 3.25Å
731P54.2Low61.3Low151 Ų15193.1 Ų93.198%0.98153%0.529SS*.SBendtrans-73.23.7-165.3-13.829.1000115.9
732G51.4Low61.1Low50 Ų5097.2 Ų97.252%0.51555%0.549SS..SBendtrans-108.7120.1178.900000109G730 R734G730-G732 PolarHBondContact O-N 3.25Å; G732-R734 PolarHBondContact O-N 3.14Å
733G56.9Low60.7Low83 Ų8398.5 Ų98.586%0.85655%0.548SS*.  trans-58.324.2-178.300000117.5
734R54.6Low60.4Low223 Ų223100.2 Ų100.284%0.84256%0.56SS**  trans-83.9113.3166.9-77-178.9166.6172.4-3.3109.2G732 R736G732-R734 PolarHBondContact O-N 3.14Å; R734-R736 PolarHBondContact O-N 2.88Å
735L57.5Low60Low92 Ų92109.9 Ų109.948%0.48259%0.593SS.*  trans-49111.6158.5-84121000108.5I726 T737I726-L735 HydrophobicContact CG2-CD2 3.27Å; I726-L735 HydrophobicContact CG2-CG 4.41Å; L735-T737 VanDerWaalsContact C-N 3.27Å; L735-T737 PolarHBondContact O-N 3.43Å
736R53.3Low59.4Low220 Ų220113.9 Ų113.983%0.8362%0.622SS**  trans-60.5100.9159.6-87.5-173.9172.3-177.5-1.4105.5R734 P738R734-R736 PolarHBondContact O-N 2.88Å; R736-P738 WeakPolarHBondContact O-CD 3.21Å
737T55Low59.1Low129 Ų129122.5 Ų122.579%0.79165%0.652SS**  trans-45.1101.4-177.525.70000109.4L735 Q739L735-T737 VanDerWaalsContact C-N 3.27Å; L735-T737 PolarHBondContact O-N 3.43Å; T737-Q739 PolarHBondContact O-N 3.12Å
738P54.9Low59.6Low51 Ų51122.8 Ų122.833%0.33166%0.656SS.*  trans-62.1126.7164.2-9.327000104L698 R736 I740L698-P738 HydrophobicContact CD1-CB 4.28Å; L698-P738 HydrophobicContact CD1-CG 3.97Å; R736-P738 WeakPolarHBondContact O-CD 3.21Å; P738-I740 PolarHBondContact O-N 3Å
739Q56.7Low60.6Low187 Ų187121.9 Ų121.987%0.87465%0.65SS**  trans-45.5118.3175.9-90.8-179.7-26.500108.4T737 D741T737-Q739 PolarHBondContact O-N 3.12Å; Q739-D741 PolarHBondContact O-N 3.32Å
740I59.5Low61.7Low151 Ų151128.9 Ų128.977%0.77467%0.669SS**  trans-53115.4173.5-67.7169.1000105.6P738 Q742P738-I740 PolarHBondContact O-N 3Å; I740-Q742 PolarHBondContact O-N 3.06Å
741D63.1Low62.7Low63 Ų63129.2 Ų129.234%0.33767%0.666SS.*  trans-62.2109.4-176.3-164.7-8.3000107.7Q739 K743 T744Q739-D741 PolarHBondContact O-N 3.32Å; D741-K743 PolarHBondContact O-N 3.46Å; D741-K743 WeakPolarHBondContact OD1-CB 3.49Å; D741-K743 VanDerWaalsContact OD1-CD 3.25Å; D741-K743 WeakPolarHBondContact OD1-CD 3.46Å; D741-K743 WeakPolarHBondContact OD1-CG 3.3Å; D741-K743 PolarHBondContact OD1-N 3.22Å; D741-T744 PolarHBondContact O-N 3.11Å; D741-T744 VanDerWaalsContact O-N 3.1Å; D741-T744 PolarHBondContact O-OG1 3.25Å
742Q65.8Low63.9Low168 Ų168126 Ų12679%0.78564%0.64SS**G310 helixtrans-55.9-15-179.1-69.3-174.81.900112.1I740I740-Q742 PolarHBondContact O-N 3.06Å
743K63.3Low65Low101 Ų101127.7 Ų127.744%0.43964%0.635SS.*G310 helixtrans-74.8-23.5-179-59.2175.2-168.3-174.20114.5E691 D741E691-K743 WeakPolarHBondContact OE2-CD 3.49Å; E691-K743 WeakPolarHBondContact OE2-CE 3.49Å; E691-K743 IonicContact OE2-NZ 2.54Å; E691-K743 PolarHBondContact OE2-NZ 2.91Å; D741-K743 PolarHBondContact O-N 3.46Å; D741-K743 WeakPolarHBondContact OD1-CB 3.49Å; D741-K743 VanDerWaalsContact OD1-CD 3.25Å; D741-K743 WeakPolarHBondContact OD1-CD 3.46Å; D741-K743 WeakPolarHBondContact OD1-CG 3.3Å; D741-K743 PolarHBondContact OD1-N 3.22Å
744T62.4Low65.9Low64 Ų64130 Ų13039%0.39362%0.621SS.*G310 helixtrans-99.93.3179.844.90000114.7T696 D741 V746T696-T744 HydrophobicContact CG2-CG2 3.31Å; D741-T744 PolarHBondContact O-N 3.11Å; D741-T744 VanDerWaalsContact O-N 3.1Å; D741-T744 PolarHBondContact O-OG1 3.25Å; T744-V746 PolarHBondContact O-N 3.4Å
745R67.3Low66.8Low212 Ų212123.8 Ų123.880%0.861%0.605SS**SBendtrans-64.8123.5173.2-164175.2-178.3176.41.2109.9R747R745-R747 PolarHBondContact O-N 3.42Å; R745-R747 VanDerWaalsContact O-N 3.12Å
746V63.8Low67.4Low142 Ų142121.9 Ų121.986%0.86160%0.595SS**PPolyproline II helixtrans-56.1117.1177.3-179.90000108.9T744T744-V746 PolarHBondContact O-N 3.4Å
747R66.7Low68.2Low208 Ų208116.8 Ų116.879%0.78558%0.58SS**PPolyproline II helixtrans-97.4137.9176.1-64.1-171.6-177.7-159.4-3.8109.3R745R745-R747 PolarHBondContact O-N 3.42Å; R745-R747 VanDerWaalsContact O-N 3.12Å
748M77Confident68.7Low98 Ų98117.3 Ų117.348%0.48357%0.572SS.*PPolyproline II helixtrans-64.6150.8174.8-60.4-175.7-65.400111L752 Q753 L756M748-L752 HydrophobicContact CB-CB 4.44Å; M748-L752 HydrophobicContact CB-CD2 4.13Å; M748-L752 HydrophobicContact CB-CG 4.38Å; M748-L752 HydrophobicContact CG-CD2 4.16Å; M748-L752 HydrophobicContact SD-CD2 4.46Å; M748-Q753 HydrophobicContact CB-CB 4.45Å; M748-Q753 HydrophobicContact CE-CB 4.47Å; M748-Q753 HydrophobicContact CE-CG 4.37Å; M748-L756 HydrophobicContact CE-CD1 4.45Å; M748-L756 HydrophobicContact SD-CD1 3.48Å; M748-L756 WeakPolarHBondContact SD-CD1 3.17Å
749S81Confident69Low69 Ų69120.6 Ų120.648%0.48358%0.582SS.*PPolyproline II helixtrans-65.3153.3172.376.80000110A751 L752 Q753S749-A751 PolarHBondContact O-N 3.47Å; S749-L752 PolarHBondContact O-N 3.5Å; S749-L752 VanDerWaalsContact O-N 3.08Å; S749-L752 VanDerWaalsContact OG-CB 3.23Å; S749-L752 WeakPolarHBondContact OG-CB 3.45Å; S749-L752 PolarHBondContact OG-N 2.89Å; S749-Q753 WeakPolarHBondContact O-CB 3.23Å; S749-Q753 PolarHBondContact O-N 3.4Å
750K76.9Confident68.9Low187 Ų187118.4 Ų118.481%0.81357%0.572SS**Hα-helixtrans-57.5-34.6177.7-166.8-179.3-178.9-177.50111.8K754K750-K754 WeakPolarHBondContact O-CB 3.27Å; K750-K754 PolarHBondContact O-N 2.93Å
751A76.5Confident68.4Low64 Ų64113.6 Ų113.653%0.52956%0.56SS.*Hα-helixtrans-68.3-46.2175.100000111.9S749 K754 N755S749-A751 PolarHBondContact O-N 3.47Å; A751-K754 PolarHBondContact O-N 2.64Å; A751-N755 WeakPolarHBondContact O-CB 3.38Å; A751-N755 VanDerWaalsContact O-CG 3.31Å; A751-N755 PolarHBondContact O-N 2.79Å
752L77.6Confident67.6Low83 Ų83113.5 Ų113.544%0.43557%0.568SS.*Hα-helixtrans-65.4-40.7177.2-177.762.4000111.2M748 S749 N755 L756M748-L752 HydrophobicContact CB-CB 4.44Å; M748-L752 HydrophobicContact CB-CD2 4.13Å; M748-L752 HydrophobicContact CB-CG 4.38Å; M748-L752 HydrophobicContact CG-CD2 4.16Å; M748-L752 HydrophobicContact SD-CD2 4.46Å; S749-L752 PolarHBondContact O-N 3.5Å; S749-L752 VanDerWaalsContact O-N 3.08Å; S749-L752 VanDerWaalsContact OG-CB 3.23Å; S749-L752 WeakPolarHBondContact OG-CB 3.45Å; S749-L752 PolarHBondContact OG-N 2.89Å; L752-N755 PolarHBondContact O-N 3.25Å; L752-L756 HydrophobicContact CD1-CD1 4.15Å; L752-L756 HydrophobicContact CG-CD1 4.08Å; L752-L756 WeakPolarHBondContact O-CB 3.48Å; L752-L756 PolarHBondContact O-N 2.69Å
753Q76Confident66.3Low87 Ų87114.3 Ų114.341%0.40757%0.569SS.*Hα-helixtrans-62.9-43.4175.9-173.7175.96.200111.5M748 S749 N755 L756 Q757M748-Q753 HydrophobicContact CB-CB 4.45Å; M748-Q753 HydrophobicContact CE-CB 4.47Å; M748-Q753 HydrophobicContact CE-CG 4.37Å; S749-Q753 WeakPolarHBondContact O-CB 3.23Å; S749-Q753 PolarHBondContact O-N 3.4Å; Q753-N755 VanDerWaalsContact C-N 3.34Å; Q753-L756 PolarHBondContact O-N 3.47Å; Q753-Q757 VanDerWaalsContact O-CB 3.32Å; Q753-Q757 WeakPolarHBondContact O-CB 3.35Å; Q753-Q757 VanDerWaalsContact O-CG 3.27Å; Q753-Q757 WeakPolarHBondContact O-CG 3.39Å; Q753-Q757 PolarHBondContact O-N 3.1Å
754K74.4Confident65.1Low131 Ų131112.3 Ų112.357%0.5758%0.577SS**Hα-helixtrans-63.4-40.1174.2-171.1176.2-178.9178.60111.4K750 A751 K758K750-K754 WeakPolarHBondContact O-CB 3.27Å; K750-K754 PolarHBondContact O-N 2.93Å; A751-K754 PolarHBondContact O-N 2.64Å; K754-K758 WeakPolarHBondContact O-CB 3.28Å; K754-K758 WeakPolarHBondContact O-CG 3.23Å; K754-K758 PolarHBondContact O-N 2.84Å
755N73.5Confident63.9Low93 Ų93111.9 Ų111.950%0.49759%0.586SS.*Hα-helixtrans-68.9-40.2177-73.8-10.8000112.5A751 L752 Q753 K758 Q759A751-N755 WeakPolarHBondContact O-CB 3.38Å; A751-N755 VanDerWaalsContact O-CG 3.31Å; A751-N755 PolarHBondContact O-N 2.79Å; L752-N755 PolarHBondContact O-N 3.25Å; Q753-N755 VanDerWaalsContact C-N 3.34Å; N755-K758 PolarHBondContact O-N 2.92Å; N755-Q759 PolarHBondContact O-N 3.25Å
756L71.3Confident62.3Low52 Ų52105.8 Ų105.827%0.27258%0.58SS.*Hα-helixtrans-69.2-38.6176-108.7145.6000111.8M748 L752 Q753 K758 Q759 Q760M748-L756 HydrophobicContact CE-CD1 4.45Å; M748-L756 HydrophobicContact SD-CD1 3.48Å; M748-L756 WeakPolarHBondContact SD-CD1 3.17Å; L752-L756 HydrophobicContact CD1-CD1 4.15Å; L752-L756 HydrophobicContact CG-CD1 4.08Å; L752-L756 WeakPolarHBondContact O-CB 3.48Å; L752-L756 PolarHBondContact O-N 2.69Å; Q753-L756 PolarHBondContact O-N 3.47Å; L756-K758 VanDerWaalsContact C-N 3.34Å; L756-Q759 PolarHBondContact O-N 3.02Å; L756-Q760 VanDerWaalsContact O-CB 3.31Å; L756-Q760 WeakPolarHBondContact O-CB 3.4Å; L756-Q760 VanDerWaalsContact O-CG 3.3Å; L756-Q760 WeakPolarHBondContact O-CG 3.48Å; L756-Q760 PolarHBondContact O-N 2.82Å
757Q70.7Confident60.9Low113 Ų113105.3 Ų105.353%0.52858%0.578SS.*Hα-helixtrans-63-41.8172-77.6173.3-16.600111.2Q753 Q760 G761Q753-Q757 VanDerWaalsContact O-CB 3.32Å; Q753-Q757 WeakPolarHBondContact O-CB 3.35Å; Q753-Q757 VanDerWaalsContact O-CG 3.27Å; Q753-Q757 WeakPolarHBondContact O-CG 3.39Å; Q753-Q757 PolarHBondContact O-N 3.1Å; Q757-Q760 PolarHBondContact O-N 3.2Å; Q757-G761 PolarHBondContact O-N 2.71Å
758K64Low59.5Low140 Ų140100.6 Ų100.661%0.60958%0.577SS**Hα-helixtrans-62-41.5172.4-78-174.5171.4-155.80112.5K754 N755 L756 G761 A762K754-K758 WeakPolarHBondContact O-CB 3.28Å; K754-K758 WeakPolarHBondContact O-CG 3.23Å; K754-K758 PolarHBondContact O-N 2.84Å; N755-K758 PolarHBondContact O-N 2.92Å; L756-K758 VanDerWaalsContact C-N 3.34Å; K758-G761 PolarHBondContact O-N 3.26Å; K758-A762 PolarHBondContact O-N 3.13Å
759Q60.9Low57.5Low119 Ų119100.1 Ų100.156%0.55658%0.579SS**Hα-helixtrans-70.8-37.2176.8-80.2-177.1-14.700112.8N755 L756 G761 A762 F763N755-Q759 PolarHBondContact O-N 3.25Å; L756-Q759 PolarHBondContact O-N 3.02Å; Q759-G761 VanDerWaalsContact C-N 3.29Å; Q759-G761 PolarHBondContact O-N 3.36Å; Q759-A762 PolarHBondContact O-N 2.95Å; Q759-F763 PolarHBondContact O-N 2.96Å; Q759-F763 VanDerWaalsContact O-N 3.14Å
760Q55.7Low55.6Low141 Ų141106.9 Ų106.966%0.65959%0.594SS**Hα-helixtrans-66.7-30.9175.4-78179-14.100112L756 Q757 A762L756-Q760 VanDerWaalsContact O-CB 3.31Å; L756-Q760 WeakPolarHBondContact O-CB 3.4Å; L756-Q760 VanDerWaalsContact O-CG 3.3Å; L756-Q760 WeakPolarHBondContact O-CG 3.48Å; L756-Q760 PolarHBondContact O-N 2.82Å; Q757-Q760 PolarHBondContact O-N 3.2Å; Q760-A762 VanDerWaalsContact C-N 3.28Å
761G49.5Very low53.8Low51 Ų51107.9 Ų107.953%0.52660%0.599SS.*Hα-helixtrans-70.6-20.3169.300000114.4Q757 K758 Q759Q757-G761 PolarHBondContact O-N 2.71Å; K758-G761 PolarHBondContact O-N 3.26Å; Q759-G761 VanDerWaalsContact C-N 3.29Å; Q759-G761 PolarHBondContact O-N 3.36Å
762A45.6Very low52.1Low61 Ų61114.2 Ų114.250%0.50462%0.617SS.*Hα-helixtrans-102.2-11.3-17400000114.9K758 Q759 Q760 G764K758-A762 PolarHBondContact O-N 3.13Å; Q759-A762 PolarHBondContact O-N 2.95Å; Q760-A762 VanDerWaalsContact C-N 3.28Å; A762-G764 PolarHBondContact O-N 2.81Å; A762-G764 VanDerWaalsContact O-N 3.11Å
763F37.8Very low50Low185 Ų185115.1 Ų115.181%0.81162%0.622SS**  trans-84.184.7-175.1-110.4-91.9000112.1Q759Q759-F763 PolarHBondContact O-N 2.96Å; Q759-F763 VanDerWaalsContact O-N 3.14Å
764G38.9Very low47.8Very low58 Ų58113.9 Ų113.960%0.59863%0.627SS**  trans-86.6133.5167.800000112.2A762A762-G764 PolarHBondContact O-N 2.81Å; A762-G764 VanDerWaalsContact O-N 3.11Å
765G37.1Very low45.7Very low56 Ų56110.5 Ų110.558%0.57763%0.629SS**  trans-63.9149.4-166.100000117.3T767G765-T767 PolarHBondContact O-N 2.94Å
766A34.3Very low43.7Very low83 Ų83111.3 Ų111.369%0.68664%0.638SS**SBendtrans-75.1114.5174.500000110.4
767T33.5Very low41.9Very low133 Ų133114.9 Ų114.982%0.81666%0.661SS**SBendtrans171.8-27.2136.932.40000115.2G765G765-T767 PolarHBondContact O-N 2.94Å
768S36.4Very low39.9Very low109 Ų109112.2 Ų112.276%0.76266%0.655SS**SBendtrans-105.9-24.3-177.3-45.50000114.1
769V36Very low38.4Very low87 Ų87111.2 Ų111.253%0.52766%0.661SS.*G310 helixtrans-77.6-24.7-172.1-164.20000110.8K771 Q772 L773V769-K771 VanDerWaalsContact C-N 3.28Å; V769-K771 PolarHBondContact O-N 3.3Å; V769-K771 VanDerWaalsContact O-N 3.15Å; V769-Q772 PolarHBondContact O-N 3.16Å; V769-L773 HydrophobicContact CB-CD1 3.76Å; V769-L773 HydrophobicContact CB-CG 4.42Å; V769-L773 HydrophobicContact CG1-CD1 3.56Å; V769-L773 HydrophobicContact CG1-CG 3.78Å; V769-L773 WeakPolarHBondContact O-CB 3.41Å; V769-L773 VanDerWaalsContact O-CD1 3.23Å; V769-L773 WeakPolarHBondContact O-CD1 3.3Å; V769-L773 WeakPolarHBondContact O-CG 3.39Å
770R40.1Very low37Very low211 Ų211110.3 Ų110.380%0.79666%0.663SS**G310 helixtrans-65.7-18.9-168.1-106.3-175.9-178.4174-0.3115.4L773R770-L773 HydrophobicContact CB-CD1 4.46Å; R770-L773 HydrophobicContact CG-CD1 4.14Å
771K39.8Very low35.7Very low209 Ų209108.7 Ų108.791%0.90966%0.663SS**G310 helixtrans-91.7-8.8-177.7-104.5-177.1174.3-174.40114.7V769V769-K771 VanDerWaalsContact C-N 3.28Å; V769-K771 PolarHBondContact O-N 3.3Å; V769-K771 VanDerWaalsContact O-N 3.15Å
772Q42Very low34.7Very low197 Ų197112.8 Ų112.892%0.92167%0.667SS**SBendtrans-119.215.8173.3-69.1-172.8-29.100112V769V769-Q772 PolarHBondContact O-N 3.16Å
773L31.9Very low34Very low101 Ų101115.3 Ų115.353%0.52968%0.676SS.*  trans-99.899.4-157.4-120.6172.2000113.4V769 R770V769-L773 HydrophobicContact CB-CD1 3.76Å; V769-L773 HydrophobicContact CB-CG 4.42Å; V769-L773 HydrophobicContact CG1-CD1 3.56Å; V769-L773 HydrophobicContact CG1-CG 3.78Å; V769-L773 WeakPolarHBondContact O-CB 3.41Å; V769-L773 VanDerWaalsContact O-CD1 3.23Å; V769-L773 WeakPolarHBondContact O-CD1 3.3Å; V769-L773 WeakPolarHBondContact O-CG 3.39Å; R770-L773 HydrophobicContact CB-CD1 4.46Å; R770-L773 HydrophobicContact CG-CD1 4.14Å
774A30.6Very low33.7Very low62 Ų62112 Ų11251%0.51267%0.673SS.*SBendtrans-159.197.3149.900000110.9K583K583-A774 PolarHBondContact NZ-O 2.86Å
775G29.9Very low33.2Very low60 Ų60115 Ų11562%0.61968%0.68SS**SBendtrans123.5116.9168.700000112.5
776T32.4Very low33.1Very low110 Ų110121.5 Ų121.568%0.67570%0.695SS**  trans68.5105.1158.357.50000120.3
777V33.8Very low33Very low127 Ų127121 Ų12177%0.7770%0.699SS**  96.5131.6124.1-176.50000118.4
778S28.6Very low33Very low56 Ų56123.3 Ų123.339%0.39271%0.705SS.*  trans-55.4164.9179.837.90000117.1
779T31.5Very low32.6Very low120 Ų120126.3 Ų126.374%0.73671%0.707SS**  trans77.986.116438.70000119
780V31.4Very low32.4Very low99 Ų99130 Ų13060%0.672%0.721SS**  trans-171.1113.4130.51750000109.4M1 F782M1-V780 HydrophobicContact CE-CG1 3.62Å; M1-V780 HydrophobicContact CG-CG1 4.05Å; V780-F782 HydrophobicContact CG1-CD2 3.27Å; V780-F782 HydrophobicContact CG1-CE2 3.39Å; V780-F782 HydrophobicContact CG1-CG 4.34Å
781T29Very low32.1Very low108 Ų108125.9 Ų125.966%0.66372%0.72SS**  trans-120.796.9166.1-460000109.6M1 T783M1-T781 WeakPolarHBondContact CE-O 3.35Å; T781-T783 PolarHBondContact O-N 2.82Å
782F28.6Very low31.8Very low136 Ų136122.2 Ų122.260%0.59671%0.71SS**  trans-70.7107.8176.5-84-92.3000109.6M1 V780M1-F782 HydrophobicContact CB-CD1 4.32Å; M1-F782 HydrophobicContact CB-CE1 3.53Å; M1-F782 HydrophobicContact CB-CE2 4.22Å; M1-F782 HydrophobicContact CB-CZ 3.47Å; M1-F782 VanDerWaalsContact CB-CZ 3.47Å; M1-F782 HydrophobicContact CE-CB 3.76Å; M1-F782 HydrophobicContact CE-CD1 3.79Å; M1-F782 HydrophobicContact CE-CD2 3.59Å; M1-F782 HydrophobicContact CE-CE1 4.3Å; M1-F782 HydrophobicContact CE-CE2 4.14Å; M1-F782 HydrophobicContact CE-CG 3.38Å; M1-F782 HydrophobicContact CE-CZ 4.47Å; M1-F782 HydrophobicContact CG-CD1 3.81Å; M1-F782 HydrophobicContact CG-CD2 3.94Å; M1-F782 HydrophobicContact CG-CE1 3.42Å; M1-F782 VanDerWaalsContact CG-CE1 3.42Å; M1-F782 HydrophobicContact CG-CE2 3.57Å; M1-F782 HydrophobicContact CG-CG 4.05Å; M1-F782 HydrophobicContact CG-CZ 3.29Å; M1-F782 HydrophobicContact SD-CB 4.16Å; M1-F782 HydrophobicContact SD-CD1 3.11Å; M1-F782 WeakPolarHBondContact SD-CD1 3.4Å; M1-F782 HydrophobicContact SD-CD2 3.9Å; M1-F782 HydrophobicContact SD-CE1 3.32Å; M1-F782 WeakPolarHBondContact SD-CE1 3.39Å; M1-F782 HydrophobicContact SD-CE2 4.08Å; M1-F782 HydrophobicContact SD-CG 3.42Å; M1-F782 WeakPolarHBondContact SD-CG 3.46Å; M1-F782 HydrophobicContact SD-CZ 3.82Å; V780-F782 HydrophobicContact CG1-CD2 3.27Å; V780-F782 HydrophobicContact CG1-CE2 3.39Å; V780-F782 HydrophobicContact CG1-CG 4.34Å
783T31.4Very low31.5Very low115 Ų115118.5 Ų118.571%0.70670%0.703SS**  trans-100.2128.9160.553.10000109.3T781T781-T783 PolarHBondContact O-N 2.82Å
784P29.6Very low31.8Very low115 Ų115121.7 Ų121.775%0.74772%0.715SS**  trans-77.1134.5174.132.9-30000108.3
785V29.8Very low32.2Very low122 Ų122123.3 Ų123.374%0.73973%0.728SS**SBendtrans92.2124.1164.4-167.90000118
786Q34.1Very low32.5Very low191 Ų191125.4 Ų125.489%0.89374%0.74SS**  trans85.3125.5159.9-77.8166.8-2.400122
787G32Very low32.6Very low74 Ų74128.9 Ų128.976%0.76375%0.749SS**  trans-104.6-172.9-179.800000115.2
788L33.3Very low32.7Very low180 Ų180128.8 Ų128.894%0.94275%0.748SS**  trans-149.6124.6172.1-91.9166.1000111.9
789E28.7Very low33Very low172 Ų172133.2 Ų133.280%0.80476%0.763SS**  trans-123.1149.7173.4-172.4180-147.600108.3
790I32Very low33.1Very low164 Ų164139.1 Ų139.184%0.84177%0.772SS**  trans-141.7111.5169.6-54.2177.4000109.6
791V34.4Very low33.1Very low126 Ų126143 Ų14376%0.76478%0.781SS**  trans-142.1148.4167.1-173.90000110.4
792N33.3Very low33.2Very low131 Ų131145.5 Ų145.570%0.70179%0.785SS**  trans-106.1132.3-176-169.98000112.5
793P34.4Very low33.2Very low119 Ų119147.2 Ų147.277%0.77380%0.797SS**  trans-105.125.8-156.67.416.7000117.4
794Q39.5Very low33Very low169 Ų169150.9 Ų150.979%0.7981%0.808SS**  trans-102.1-3.6-172.5-76-180-24.200116.6
795A37.6Very low33.2Very low95 Ų95151.4 Ų151.479%0.78580%0.8SS**SBendtrans-92.9-6-167.800000116.1
796A37.2Very low33.4Very low105 Ų105148.7 Ų148.787%0.86879%0.785SS**SBendtrans-92.66.6-167.200000116.2
797E34.6Very low33.2Very low183 Ų183144.6 Ų144.686%0.85577%0.77SS**SBendtrans-106.8-4.5-165.7-130.3166.8-169.200115.8
798T36.6Very low33.1Very low124 Ų124143.3 Ų143.376%0.76175%0.752SS**SBendtrans-111.7-21.9-165.1-33.30000116.5R800T798-R800 VanDerWaalsContact C-N 3.29Å; T798-R800 PolarHBondContact O-N 3.1Å
799E33.6Very low33.1Very low149 Ų149142.1 Ų142.170%0.69674%0.739SS**THydrogen-bonded Turntrans-77.9-7.2-174.5-83.2164.6-158.400115K801E799-K801 PolarHBondContact O-N 2.95Å
800R33.7Very low33.5Very low245 Ų245137.2 Ų137.293%0.92571%0.714SS**THydrogen-bonded Turntrans-81.28.4-167.5-131.4-177.9-168.9-172.93.7117T798T798-R800 VanDerWaalsContact C-N 3.29Å; T798-R800 PolarHBondContact O-N 3.1Å
801K32Very low33.5Very low181 Ų181132 Ų13279%0.78769%0.685SS**SBendtrans-121.1-37.3-162.6-97.5-179.6177.6175.10120.1E799E799-K801 PolarHBondContact O-N 2.95Å
802Q30.3Very low33.4Very low160 Ų160129.2 Ų129.275%0.74868%0.676SS**  trans-152.9110.8-160.7-75.7156.915.300107.7
803M28.7Very low33.4Very low171 Ų171132.6 Ų132.684%0.84269%0.687SS**  -173.6113.390.7-86.8160.3174.200111.4
804M28.3Very low33.3Very low193 Ų193134.5 Ų134.595%0.95169%0.691SS**  trans-83.9141.7158.2-68.9167.377.400109.3
805E33Very low32.8Very low125 Ų125129 Ų12958%0.58467%0.669SS**  trans-26174.7167.2-67.4-171.8164.400119.4
806P34.2Very low32.2Very low65 Ų65133.2 Ų133.242%0.42267%0.669SS.*  cis-163.7-179.736.643.7-18.6000122.5K1038P806-K1038 PolarHBondContact O-NZ 3.23Å
807N30.1Very low31.7Very low105 Ų105137.4 Ų137.456%0.56167%0.668SS**  trans92.9104139.9-74.9-23.9000125.2
808A29.4Very low31.3Very low47 Ų47134 Ų13439%0.38866%0.655SS.*  34.9136.3111.400000125
809K34.2Very low30.9Very low155 Ų155137.4 Ų137.467%0.67466%0.659SS**  trans178.410.3133.7-100.9-175.4-177.6-177.40120.4N1088K809-N1088 WeakPolarHBondContact CA-OD1 3.39Å; K809-N1088 VanDerWaalsContact CB-CG 3.44Å; K809-N1088 WeakPolarHBondContact CB-ND2 3.47Å; K809-N1088 WeakPolarHBondContact CB-OD1 3.32Å; K809-N1088 PolarHBondContact O-ND2 2.82Å; K809-N1088 PolarHBondContact O-OD1 2.74Å
810Y36.7Very low30.6Very low69 Ų69133.2 Ų133.227%0.27164%0.644SS.*  trans-105.832.8-175.2-125.1-13.1000117D1069 M1070 F1084 N1088Y810-D1069 PolarHBondContact OH-O 2.8Å; Y810-M1070 HydrophobicContact CD1-CE 4.25Å; Y810-M1070 HydrophobicContact CD2-CE 3.12Å; Y810-M1070 HydrophobicContact CD2-CG 4.2Å; Y810-M1070 HydrophobicContact CD2-SD 3.53Å; Y810-M1070 VanDerWaalsContact CD2-SD 3.53Å; Y810-M1070 HydrophobicContact CE1-CE 4.31Å; Y810-M1070 HydrophobicContact CE2-CB 4.17Å; Y810-M1070 HydrophobicContact CE2-CE 3.16Å; Y810-M1070 HydrophobicContact CE2-CG 3.71Å; Y810-M1070 HydrophobicContact CE2-SD 3.65Å; Y810-M1070 HydrophobicContact CG-CE 3.78Å; Y810-F1084 AromaticContact CD2-CD1 3.8Å; Y810-F1084 HydrophobicContact CD2-CD1 3.8Å; Y810-F1084 AromaticContact CD2-CE1 3.59Å; Y810-F1084 HydrophobicContact CD2-CE1 3.59Å; Y810-F1084 HydrophobicContact CG-CD1 4.2Å; Y810-F1084 AromaticContact CG-CE1 3.84Å; Y810-F1084 HydrophobicContact CG-CE1 3.84Å; Y810-F1084 HydrophobicContact CG-CZ 4.39Å; Y810-F1084 VanDerWaalsContact N-CE2 3.33Å; Y810-N1088 HydrophobicContact CD1-CB 3.48Å; Y810-N1088 VanDerWaalsContact CD1-CB 3.48Å; Y810-N1088 HydrophobicContact CD2-CB 3.25Å; Y810-N1088 WeakPolarHBondContact CD2-O 3.4Å; Y810-N1088 HydrophobicContact CE1-CB 3.47Å; Y810-N1088 VanDerWaalsContact CE1-CB 3.47Å; Y810-N1088 HydrophobicContact CE2-CB 3.28Å; Y810-N1088 WeakPolarHBondContact CE2-O 3.24Å; Y810-N1088 HydrophobicContact CG-CB 3.3Å; Y810-N1088 PolarHBondContact N-OD1 3.09Å
811F32.4Very low30.2Very low54 Ų54128.4 Ų128.424%0.23763%0.632CS.*  trans-112.7137.1-178.9-63.4-57.4000113.8T815 Y1082 F1084 C1118 M1120F811-T815 HydrophobicContact CB-CG2 4.44Å; F811-Y1082 HydrophobicContact CE2-CD2 4.14Å; F811-Y1082 AromaticContact CE2-CE2 3.56Å; F811-Y1082 HydrophobicContact CE2-CE2 3.56Å; F811-Y1082 AromaticContact CE2-CZ 3.8Å; F811-Y1082 HydrophobicContact CZ-CD2 4.49Å; F811-Y1082 HydrophobicContact CZ-CE2 4.32Å; F811-F1084 HydrophobicContact CD2-CE2 4.15Å; F811-F1084 HydrophobicContact CE1-CZ 4.22Å; F811-F1084 AromaticContact CE2-CE2 3.34Å; F811-F1084 HydrophobicContact CE2-CE2 3.34Å; F811-F1084 AromaticContact CE2-CZ 3.65Å; F811-F1084 HydrophobicContact CE2-CZ 3.65Å; F811-F1084 AromaticContact CZ-CE2 3.54Å; F811-F1084 HydrophobicContact CZ-CE2 3.54Å; F811-F1084 AromaticContact CZ-CZ 3.32Å; F811-F1084 HydrophobicContact CZ-CZ 3.32Å; F811-C1118 WeakPolarHBondContact CD1-O 3.37Å; F811-M1120 HydrophobicContact CE1-CB 3.82Å; F811-M1120 HydrophobicContact CE1-CE 4.33Å; F811-M1120 HydrophobicContact CE1-CG 3.36Å; F811-M1120 HydrophobicContact CE2-CB 3.99Å; F811-M1120 HydrophobicContact CE2-CG 3.64Å; F811-M1120 HydrophobicContact CZ-CB 3.51Å; F811-M1120 HydrophobicContact CZ-CE 3.81Å; F811-M1120 HydrophobicContact CZ-CG 2.84Å; F811-M1120 HydrophobicContact CZ-SD 4.22Å
812A31.4Very low30Very low69 Ų69122.3 Ų122.357%0.5761%0.609SS**  trans-64.7142.1173.400000111.7D814 T815A812-D814 PolarHBondContact O-N 3.41Å; A812-T815 PolarHBondContact O-N 2.92Å; A812-T815 PolarHBondContact O-OG1 2.97Å
813E33.2Very low29.8Very low201 Ų201118.1 Ų118.194%0.93960%0.596SS**THydrogen-bonded Turntrans-63.9-1.7-175-71.5179.4145.800115.3
814D33.3Very low29.7Very low160 Ų160112 Ų11286%0.85657%0.567SS**THydrogen-bonded Turntrans-97.412.1175.1-78.4-26.8000114.1A812 K816A812-D814 PolarHBondContact O-N 3.41Å; D814-K816 PolarHBondContact O-N 3.32Å
815T29.5Very low29.7Very low52 Ų52106.6 Ų106.632%0.31955%0.546SS..  trans-70.489.4172.244.90000111F811 A812 F817F811-T815 HydrophobicContact CB-CG2 4.44Å; A812-T815 PolarHBondContact O-N 2.92Å; A812-T815 PolarHBondContact O-OG1 2.97Å; T815-F817 PolarHBondContact O-N 3.5Å
816K23.8Very low29.6Very low185 Ų185101.7 Ų101.780%0.80453%0.529SS*.  trans-52.4111.3154.4-80.4-175.8178.11790107.5D814 I818D814-K816 PolarHBondContact O-N 3.32Å; K816-I818 VanDerWaalsContact C-N 3.34Å; K816-I818 PolarHBondContact O-N 3.41Å
817F27.6Very low29.5Very low192 Ų192103.4 Ų103.484%0.84254%0.543SS*.  trans-60.998.9168-69.8-86.2000107.8T815 K819T815-F817 PolarHBondContact O-N 3.5Å; F817-K819 PolarHBondContact O-N 3.18Å
818I25.5Very low29.4Very low112 Ų112103.4 Ų103.457%0.57455%0.551SS**  trans-79.9102.2166.2-53.9178.4000104.5K816 V820K816-I818 VanDerWaalsContact C-N 3.34Å; K816-I818 PolarHBondContact O-N 3.41Å; I818-V820 HydrophobicContact CB-CG2 4.07Å; I818-V820 HydrophobicContact CG2-CG2 3.6Å; I818-V820 WeakPolarHBondContact O-CG2 3.46Å; I818-V820 PolarHBondContact O-N 2.99Å
819K27.5Very low29.5Very low196 Ų196110.2 Ų110.285%0.85257%0.572SS**  trans-65.690.6161-173.8177.2-179179.10106F817 Q821F817-K819 PolarHBondContact O-N 3.18Å; K819-Q821 PolarHBondContact O-N 2.83Å; K819-Q821 VanDerWaalsContact O-N 3.1Å
820V28Very low29.5Very low61 Ų61105.3 Ų105.337%0.3756%0.56SS.*  trans-73.8104-177.7-1760000107.1I818 T822I818-V820 HydrophobicContact CB-CG2 4.07Å; I818-V820 HydrophobicContact CG2-CG2 3.6Å; I818-V820 WeakPolarHBondContact O-CG2 3.46Å; I818-V820 PolarHBondContact O-N 2.99Å; V820-T822 PolarHBondContact O-N 2.91Å
821Q25.4Very low29.3Very low144 Ų144111 Ų11167%0.67358%0.582SS**  trans-58.7127.6159.1-77.8177.3-28.600106.9K819 P823K819-Q821 PolarHBondContact O-N 2.83Å; K819-Q821 VanDerWaalsContact O-N 3.1Å; Q821-P823 VanDerWaalsContact O-CD 3.23Å; Q821-P823 WeakPolarHBondContact O-CD 3.36Å
822T27.5Very low29.2Very low52 Ų52114.6 Ų114.632%0.31961%0.608SS.*  trans-49.8112.7174.529.20000109V820 L824V820-T822 PolarHBondContact O-N 2.91Å; T822-L824 PolarHBondContact O-N 2.97Å
823P26.8Very low29.3Very low73 Ų73117 Ų11747%0.47462%0.615SS.*  trans-65.3126.4166.826.4-25.7000105.5Q821Q821-P823 VanDerWaalsContact O-CD 3.23Å; Q821-P823 WeakPolarHBondContact O-CD 3.36Å
824L27.2Very low29.4Very low43 Ų43112.3 Ų112.323%0.22560%0.596CS.*  trans-52.3148.6165.8-89.4179.4000111.8R185 Y186 T822 G826R185-L824 HydrophobicContact CB-CD1 3.34Å; R185-L824 HydrophobicContact CB-CD2 4.33Å; R185-L824 HydrophobicContact CB-CG 3.83Å; R185-L824 HydrophobicContact CG-CD1 3.49Å; R185-L824 VanDerWaalsContact CG-CD1 3.49Å; R185-L824 HydrophobicContact CG-CD2 3.45Å; R185-L824 VanDerWaalsContact CG-CD2 3.45Å; R185-L824 HydrophobicContact CG-CG 3.47Å; R185-L824 VanDerWaalsContact CG-CG 3.47Å; R185-L824 WeakPolarHBondContact O-CD1 3.39Å; Y186-L824 HydrophobicContact CE2-CD1 4.22Å; T822-L824 PolarHBondContact O-N 2.97Å; L824-G826 PolarHBondContact O-N 3.36Å
825P27.7Very low29.2Very low79 Ų79113 Ų11351%0.51360%0.596SS.*THydrogen-bonded Turntrans-58.9108.2166.327.5-31.5000107.7
826G30.8Very low29.1Very low22 Ų22113.5 Ų113.523%0.22761%0.611CS.*THydrogen-bonded Turntrans166-1.7175.500000118.6K71 L824 S828K71-G826 WeakPolarHBondContact CB-O 3.5Å; K71-G826 WeakPolarHBondContact CD-O 3.37Å; L824-G826 PolarHBondContact O-N 3.36Å; G826-S828 PolarHBondContact O-N 2.87Å; G826-S828 VanDerWaalsContact O-N 3.1Å
827S32.1Very low29.4Very low101 Ų101110 Ų11071%0.70661%0.61SS**  trans-63.6120.4169.665.80000110.8F829S827-F829 PolarHBondContact O-N 3.28Å
828S28Very low29.4Very low104 Ų104110.1 Ų110.173%0.72761%0.613SS**SBendtrans-72.733.3-164.855.90000115.8G826G826-S828 PolarHBondContact O-N 2.87Å; G826-S828 VanDerWaalsContact O-N 3.1Å
829F31.9Very low29.5Very low190 Ų190107.9 Ų107.983%0.83362%0.617SS**  trans-107.73.7-165.8-118.9-92.6000117.1S827S827-F829 PolarHBondContact O-N 3.28Å
830A34.4Very low29.4Very low53 Ų53104.4 Ų104.444%0.43862%0.617SS.*SBendtrans-106.9-18.4-175.700000116T832A830-T832 PolarHBondContact O-N 2.96Å
831W30.9Very low29.6Very low188 Ų188109 Ų10971%0.71264%0.639SS**THydrogen-bonded Turntrans-79.6-20.4-167-73.8106.6000115.5L849W831-L849 HydrophobicContact CH2-CD1 3.77Å; W831-L849 HydrophobicContact CZ3-CD1 3.62Å
832T30.6Very low30.6Very low130 Ų130104.3 Ų104.380%0.79863%0.625SS**THydrogen-bonded Turntrans-90.1-15.9-171.5-42.10000114.3A830A830-T832 PolarHBondContact O-N 2.96Å
833V34.4Very low32.1Very low119 Ų119103.6 Ų103.672%0.72162%0.622SS**SBendtrans-99.1-10.1-170.3-179.20000113.6
834I34.9Very low33.7Very low102 Ų102102 Ų10252%0.52361%0.612SS.*SBendtrans-103.3-10.1-172-58.2176000112.8G836 F845I834-G836 PolarHBondContact O-N 2.88Å; I834-G836 VanDerWaalsContact O-N 3.07Å; I834-F845 HydrophobicContact CG2-CD1 3.95Å
835M28Very low35.5Very low176 Ų176104.2 Ų104.287%0.86762%0.62SS**  trans-86.279.8-178.4-70-80.4-99.700111.6
836G28.6Very low37.5Very low61 Ų61104.1 Ų104.163%0.62962%0.615SS**  trans-135.395.3176.100000113.2I834I834-G836 PolarHBondContact O-N 2.88Å; I834-G836 VanDerWaalsContact O-N 3.07Å
837S29.7Very low39.6Very low113 Ų113103.2 Ų103.279%0.7961%0.605SS**  trans62.8115.9146.772.80000121.5
838Q28.7Very low41.4Very low194 Ų19499 Ų9991%0.90757%0.574SS**  trans75.9115.4138.8-57.9-158.36.800121.7
839G26.3Very low43.3Very low64 Ų6498 Ų9866%0.6656%0.561SS**  93.6111.1118.500000118
840C25.1Very low45.4Very low124 Ų12491.7 Ų91.784%0.83853%0.532SS*.SBendtrans48.9120.9151.655.70000119.6
841N33Very low47.1Very low158 Ų15889.6 Ų89.685%0.84551%0.514SS*.SBendtrans73.8116.1-172.8-60.3-28.6000112.7S843N841-S843 PolarHBondContact O-N 3.05Å
842A45.5Very low48.9Very low45 Ų4584.1 Ų84.137%0.37249%0.493SS..  trans-39.8108.2-171.400000111.5L847A842-L847 HydrophobicContact CB-CD2 4.09Å; A842-L847 HydrophobicContact CB-CG 4.35Å
843S60.5Low50.6Low37 Ų3780.7 Ų80.726%0.25948%0.475SS..  trans-62.4153-179.876.60000108.6N841 F845 D846 L847N841-S843 PolarHBondContact O-N 3.05Å; S843-F845 PolarHBondContact O-N 3.43Å; S843-F845 VanDerWaalsContact O-N 3.08Å; S843-F845 PolarHBondContact OG-N 3.03Å; S843-D846 PolarHBondContact N-OD2 3.33Å; S843-D846 WeakPolarHBondContact O-CB 3.21Å; S843-D846 PolarHBondContact O-N 3.34Å; S843-D846 PolarHBondContact OG-N 2.66Å; S843-D846 PolarHBondContact OG-OD1 2.83Å; S843-D846 PolarHBondContact OG-OD2 3.49Å; S843-D846 VanDerWaalsContact OG-OD2 3.13Å; S843-L847 PolarHBondContact O-N 3.47Å; S843-L847 VanDerWaalsContact O-N 3.16Å
844P60.5Low52.1Low40 Ų4078.2 Ų78.226%0.2646%0.455SS..Hα-helixtrans-51.9-30.8172.9-2634.4000112.9L848 L936 I940P844-L848 WeakPolarHBondContact O-CB 3.21Å; P844-L848 PolarHBondContact O-N 2.87Å; P844-L936 HydrophobicContact CB-CD1 3.87Å; P844-I940 HydrophobicContact CB-CD1 3.46Å; P844-I940 VanDerWaalsContact CB-CD1 3.46Å; P844-I940 HydrophobicContact CB-CG1 3.51Å; P844-I940 HydrophobicContact CG-CG1 4.36Å
845F64.9Low53.8Low89 Ų8976.1 Ų76.139%0.3945%0.447SS..Hα-helixtrans-69.7-37.7174.3-70.1-79.4000113.1I834 S843 L847 L848 L849I834-F845 HydrophobicContact CG2-CD1 3.95Å; S843-F845 PolarHBondContact O-N 3.43Å; S843-F845 VanDerWaalsContact O-N 3.08Å; S843-F845 PolarHBondContact OG-N 3.03Å; F845-L847 VanDerWaalsContact C-N 3.31Å; F845-L847 PolarHBondContact O-N 3.49Å; F845-L848 WeakPolarHBondContact O-CB 3.04Å; F845-L848 PolarHBondContact O-N 3.02Å; F845-L849 WeakPolarHBondContact O-CB 3.32Å; F845-L849 PolarHBondContact O-N 3.48Å
846D69.2Low56Low77 Ų7770 Ų7041%0.41243%0.425SS..Hα-helixtrans-63.9-39.9175.4-58.4-26.6000111S843 L849 K850S843-D846 PolarHBondContact N-OD2 3.33Å; S843-D846 WeakPolarHBondContact O-CB 3.21Å; S843-D846 PolarHBondContact O-N 3.34Å; S843-D846 PolarHBondContact OG-N 2.66Å; S843-D846 PolarHBondContact OG-OD1 2.83Å; S843-D846 PolarHBondContact OG-OD2 3.49Å; S843-D846 VanDerWaalsContact OG-OD2 3.13Å; D846-L849 PolarHBondContact O-N 2.77Å; D846-K850 WeakPolarHBondContact O-CG 3.44Å; D846-K850 PolarHBondContact O-N 3.18Å
847L74.6Confident58.6Low3 Ų367.7 Ų67.72%0.01640%0.398CS..Hα-helixtrans-66.6-42.4176.6-62.7177.5000111A842 S843 F845 L849 K850 M851 L857 E861 I865 L936A842-L847 HydrophobicContact CB-CD2 4.09Å; A842-L847 HydrophobicContact CB-CG 4.35Å; S843-L847 PolarHBondContact O-N 3.47Å; S843-L847 VanDerWaalsContact O-N 3.16Å; F845-L847 VanDerWaalsContact C-N 3.31Å; F845-L847 PolarHBondContact O-N 3.49Å; L847-L849 VanDerWaalsContact C-N 3.33Å; L847-L849 PolarHBondContact O-N 3.14Å; L847-K850 WeakPolarHBondContact O-CB 3.43Å; L847-K850 PolarHBondContact O-N 2.99Å; L847-M851 WeakPolarHBondContact O-CG 3.48Å; L847-M851 PolarHBondContact O-N 2.89Å; L847-L857 HydrophobicContact CD2-CD2 4.12Å; L847-E861 HydrophobicContact CD2-CB 3.82Å; L847-E861 HydrophobicContact CD2-CG 3.93Å; L847-I865 HydrophobicContact CD1-CD1 4.02Å; L847-I865 HydrophobicContact CD1-CG1 3.77Å; L847-L936 HydrophobicContact CB-CD2 4.11Å
848L69.5Low61.4Low13 Ų1369 Ų697%0.06839%0.389CS..Hα-helixtrans-57.5-49.4174.1-169.578000110.2P844 F845 K850 M851 Y852 L933 L936 F937P844-L848 WeakPolarHBondContact O-CB 3.21Å; P844-L848 PolarHBondContact O-N 2.87Å; F845-L848 WeakPolarHBondContact O-CB 3.04Å; F845-L848 PolarHBondContact O-N 3.02Å; L848-K850 VanDerWaalsContact C-N 3.32Å; L848-K850 PolarHBondContact O-N 2.97Å; L848-M851 WeakPolarHBondContact O-CB 3.28Å; L848-M851 PolarHBondContact O-N 3.42Å; L848-M851 VanDerWaalsContact O-N 3.12Å; L848-Y852 HydrophobicContact CD1-CE2 3.96Å; L848-Y852 HydrophobicContact CD2-CE2 3.95Å; L848-Y852 HydrophobicContact CG-CD2 3.98Å; L848-Y852 HydrophobicContact CG-CE2 3.6Å; L848-Y852 WeakPolarHBondContact O-CD2 3.38Å; L848-Y852 PolarHBondContact O-N 3.46Å; L848-L933 HydrophobicContact CD1-CD1 3.61Å; L848-L936 HydrophobicContact CB-CD2 3.91Å; L848-L936 HydrophobicContact CD1-CD2 4.01Å; L848-F937 HydrophobicContact CD1-CD1 4.48Å; L848-F937 HydrophobicContact CD1-CE1 3.72Å; L848-F937 HydrophobicContact CD1-CE2 4.44Å; L848-F937 HydrophobicContact CD1-CZ 3.69Å; L848-F937 HydrophobicContact CD2-CE1 4.32Å
849L67.9Low64.4Low83 Ų8362.5 Ų62.544%0.43536%0.359SS..Hα-helixtrans-58.5-42.6178.2-17368.9000112W831 F845 D846 L847 M851 Y852 S853W831-L849 HydrophobicContact CH2-CD1 3.77Å; W831-L849 HydrophobicContact CZ3-CD1 3.62Å; F845-L849 WeakPolarHBondContact O-CB 3.32Å; F845-L849 PolarHBondContact O-N 3.48Å; D846-L849 PolarHBondContact O-N 2.77Å; L847-L849 VanDerWaalsContact C-N 3.33Å; L847-L849 PolarHBondContact O-N 3.14Å; L849-M851 VanDerWaalsContact C-N 3.34Å; L849-M851 PolarHBondContact O-N 3.38Å; L849-Y852 PolarHBondContact O-N 2.85Å; L849-S853 WeakPolarHBondContact O-CB 3.34Å; L849-S853 PolarHBondContact O-N 2.74Å; L849-S853 PolarHBondContact O-OG 3.23Å
850K75.3Confident67.4Low56 Ų5665.9 Ų65.924%0.24336%0.362CS..Hα-helixtrans-57-47.3174.5-77.7178.9-180-167.80111.9D846 L847 L848 Y852 S853 H854 V855 L857 E861D846-K850 WeakPolarHBondContact O-CG 3.44Å; D846-K850 PolarHBondContact O-N 3.18Å; L847-K850 WeakPolarHBondContact O-CB 3.43Å; L847-K850 PolarHBondContact O-N 2.99Å; L848-K850 VanDerWaalsContact C-N 3.32Å; L848-K850 PolarHBondContact O-N 2.97Å; K850-Y852 VanDerWaalsContact C-N 3.34Å; K850-Y852 PolarHBondContact O-N 2.86Å; K850-S853 WeakPolarHBondContact CA-OG 3.33Å; K850-S853 CarbonylContact O-C 3.59Å; K850-S853 PolarHBondContact O-N 3.08Å; K850-S853 PolarHBondContact O-OG 2.84Å; K850-H854 PolarHBondContact O-N 2.8Å; K850-V855 HydrophobicContact CB-CB 4.24Å; K850-V855 HydrophobicContact CG-CB 4.42Å; K850-V855 HydrophobicContact CG-CG1 4.35Å; K850-V855 PolarHBondContact O-N 3.02Å; K850-L857 HydrophobicContact CB-CD2 4.07Å; K850-L857 HydrophobicContact CD-CD2 4.38Å; K850-E861 IonicContact NZ-OE1 3.79Å; K850-E861 PolarHBondContact NZ-OE1 3.06Å; K850-E861 IonicContact NZ-OE2 2.73Å
851M70.4Confident70.6Confident9 Ų961.4 Ų61.44%0.04433%0.328CS..Hα-helixtrans-62.3-39.9179.4-64.2179.676.900112.3L847 L848 L849 H854 L857 F896 E929 L933 L936L847-M851 WeakPolarHBondContact O-CG 3.48Å; L847-M851 PolarHBondContact O-N 2.89Å; L848-M851 WeakPolarHBondContact O-CB 3.28Å; L848-M851 PolarHBondContact O-N 3.42Å; L848-M851 VanDerWaalsContact O-N 3.12Å; L849-M851 VanDerWaalsContact C-N 3.34Å; L849-M851 PolarHBondContact O-N 3.38Å; M851-H854 PolarHBondContact O-N 2.9Å; M851-L857 HydrophobicContact CE-CD1 4.33Å; M851-L857 HydrophobicContact CG-CD1 3.83Å; M851-L857 HydrophobicContact CG-CD2 4.06Å; M851-L857 HydrophobicContact CG-CG 4.05Å; M851-L857 HydrophobicContact SD-CD1 3.89Å; M851-F896 HydrophobicContact CB-CZ 4.45Å; M851-F896 HydrophobicContact CE-CE2 4.16Å; M851-E929 HydrophobicContact CE-CB 4.35Å; M851-E929 WeakPolarHBondContact CE-O 3.17Å; M851-L933 HydrophobicContact CE-CB 3.69Å; M851-L933 HydrophobicContact CE-CD1 4.43Å; M851-L933 HydrophobicContact SD-CB 4.47Å; M851-L933 HydrophobicContact SD-CD1 4.37Å; M851-L936 HydrophobicContact SD-CD2 4.32Å
852Y68.7Low73.4Confident73 Ų7353.9 Ų53.929%0.28629%0.288SS..Hα-helixtrans-68.1-39.4174.4-80.6-77.9000113.4L848 L849 K850 H854 I900 W908L848-Y852 HydrophobicContact CD1-CE2 3.96Å; L848-Y852 HydrophobicContact CD2-CE2 3.95Å; L848-Y852 HydrophobicContact CG-CD2 3.98Å; L848-Y852 HydrophobicContact CG-CE2 3.6Å; L848-Y852 WeakPolarHBondContact O-CD2 3.38Å; L848-Y852 PolarHBondContact O-N 3.46Å; L849-Y852 PolarHBondContact O-N 2.85Å; K850-Y852 VanDerWaalsContact C-N 3.34Å; K850-Y852 PolarHBondContact O-N 2.86Å; Y852-H854 PolarHBondContact O-N 2.9Å; Y852-H854 VanDerWaalsContact O-N 3.12Å; Y852-I900 HydrophobicContact CD1-CD1 4.43Å; Y852-I900 HydrophobicContact CE1-CD1 3.93Å; Y852-W908 AromaticContact CE1-CH2 3.42Å; Y852-W908 HydrophobicContact CE1-CH2 3.42Å; Y852-W908 VanDerWaalsContact CE1-CH2 3.42Å; Y852-W908 AromaticContact CE1-CZ2 3.71Å; Y852-W908 HydrophobicContact CE1-CZ2 3.71Å; Y852-W908 HydrophobicContact CE1-CZ3 4.08Å; Y852-W908 AromaticContact CZ-CH2 3.47Å; Y852-W908 VanDerWaalsContact CZ-CH2 3.47Å; Y852-W908 AromaticContact CZ-CZ2 3.94Å; Y852-W908 AromaticContact CZ-CZ3 3.62Å; Y852-W908 WeakPolarHBondContact OH-CH2 3.17Å; Y852-W908 WeakPolarHBondContact OH-CZ2 3.34Å; Y852-W908 WeakPolarHBondContact OH-CZ3 3.44Å
853S66.3Low75.7Confident58 Ų5855.6 Ų55.641%0.40629%0.285SS..THydrogen-bonded Turntrans-74.89.417762.90000113.6L849 K850 V855L849-S853 WeakPolarHBondContact O-CB 3.34Å; L849-S853 PolarHBondContact O-N 2.74Å; L849-S853 PolarHBondContact O-OG 3.23Å; K850-S853 WeakPolarHBondContact CA-OG 3.33Å; K850-S853 CarbonylContact O-C 3.59Å; K850-S853 PolarHBondContact O-N 3.08Å; K850-S853 PolarHBondContact O-OG 2.84Å; S853-V855 PolarHBondContact O-N 2.61Å; S853-V855 VanDerWaalsContact OG-CG2 3.27Å; S853-V855 WeakPolarHBondContact OG-CG2 3.25Å
854H66.2Low77.2Confident67 Ų6755.9 Ų55.931%0.3129%0.287SS..THydrogen-bonded Turntrans56.819.1-176.3-54.7-56.7000114.1F34 K850 M851 Y852 A856 Y897F34-H854 HydrophobicContact CB-CB 3.99Å; F34-H854 WeakPolarHBondContact CB-O 3.27Å; F34-H854 HydrophobicContact CD1-CB 3.56Å; F34-H854 HydrophobicContact CD2-CB 3.82Å; F34-H854 HydrophobicContact CE1-CB 3.92Å; F34-H854 HydrophobicContact CE2-CB 4.16Å; F34-H854 HydrophobicContact CG-CB 3.51Å; F34-H854 HydrophobicContact CZ-CB 4.2Å; F34-H854 AromaticContact CZ-CD2 4Å; K850-H854 PolarHBondContact O-N 2.8Å; M851-H854 PolarHBondContact O-N 2.9Å; Y852-H854 PolarHBondContact O-N 2.9Å; Y852-H854 VanDerWaalsContact O-N 3.12Å; H854-A856 PolarHBondContact O-N 3.06Å; H854-Y897 AromaticContact CE1-CE1 3.42Å; H854-Y897 VanDerWaalsContact CE1-CE1 3.42Å; H854-Y897 WeakPolarHBondContact CE1-CE1 3.46Å; H854-Y897 AromaticContact ND1-CE1 3.97Å
855V70.5Confident78.8Confident59 Ų5954 Ų5436%0.35828%0.275SS..PPolyproline II helixtrans-77120.7176175.50000108.4K850 S853 L857K850-V855 HydrophobicContact CB-CB 4.24Å; K850-V855 HydrophobicContact CG-CB 4.42Å; K850-V855 HydrophobicContact CG-CG1 4.35Å; K850-V855 PolarHBondContact O-N 3.02Å; S853-V855 PolarHBondContact O-N 2.61Å; S853-V855 VanDerWaalsContact OG-CG2 3.27Å; S853-V855 WeakPolarHBondContact OG-CG2 3.25Å; V855-L857 PolarHBondContact O-N 2.82Å
856A75.6Confident80.3Confident47 Ų4749.8 Ų49.839%0.38826%0.257SS..PPolyproline II helixtrans-58.1125.6177.300000111H854H854-A856 PolarHBondContact O-N 3.06Å
857L83.1Confident81.5Confident12 Ų1250.1 Ų50.16%0.06326%0.258CS..PPolyproline II helixtrans-65.6139174.5-65.1175.8000110.4L847 K850 M851 V855 I862 I865 Y971L847-L857 HydrophobicContact CD2-CD2 4.12Å; K850-L857 HydrophobicContact CB-CD2 4.07Å; K850-L857 HydrophobicContact CD-CD2 4.38Å; M851-L857 HydrophobicContact CE-CD1 4.33Å; M851-L857 HydrophobicContact CG-CD1 3.83Å; M851-L857 HydrophobicContact CG-CD2 4.06Å; M851-L857 HydrophobicContact CG-CG 4.05Å; M851-L857 HydrophobicContact SD-CD1 3.89Å; V855-L857 PolarHBondContact O-N 2.82Å; L857-I862 HydrophobicContact CB-CD1 4.11Å; L857-I862 HydrophobicContact CB-CG1 3.71Å; L857-I862 HydrophobicContact CD1-CG1 4.16Å; L857-I865 HydrophobicContact CD1-CD1 3.89Å; L857-Y971 VanDerWaalsContact O-CE1 3.28Å; L857-Y971 WeakPolarHBondContact O-CE1 3.31Å; L857-Y971 PolarHBondContact O-OH 2.82Å
858K88.7Confident82.3Confident140 Ų14053.8 Ų53.861%0.60927%0.274SS*.PPolyproline II helixtrans-72.5152.6173.3-63.8176.8-179.6175.80109.9D860 E861 I862K858-D860 VanDerWaalsContact C-N 3.27Å; K858-D860 PolarHBondContact O-N 3Å; K858-E861 HydrophobicContact CB-CB 4.5Å; K858-E861 HydrophobicContact CB-CG 4.06Å; K858-E861 PolarHBondContact N-OE2 2.84Å; K858-E861 WeakPolarHBondContact O-CA 3.49Å; K858-E861 WeakPolarHBondContact O-CB 3.39Å; K858-E861 PolarHBondContact O-N 3.11Å; K858-I862 PolarHBondContact O-N 3.18Å; K858-I862 VanDerWaalsContact O-N 3.1Å
859E90.7Very high83.5Confident59 Ų5953.1 Ų53.128%0.27627%0.271SS..Hα-helixtrans-52.2-46.9178.3-173170.5177.300111.3E861 I862 W863 Y971 S972 L975E859-E861 VanDerWaalsContact C-N 3.26Å; E859-E861 PolarHBondContact O-N 2.76Å; E859-I862 PolarHBondContact O-N 3.22Å; E859-I862 VanDerWaalsContact O-N 3.13Å; E859-W863 VanDerWaalsContact O-CD1 3.23Å; E859-W863 PolarHBondContact O-N 2.83Å; E859-Y971 HydrophobicContact CB-CD1 3.93Å; E859-S972 VanDerWaalsContact OE1-CB 3.26Å; E859-S972 WeakPolarHBondContact OE1-CB 3.35Å; E859-S972 PolarHBondContact OE1-OG 3.25Å; E859-L975 HydrophobicContact CG-CD2 4.43Å
860D90.3Very high84.8Confident135 Ų13551.3 Ų51.372%0.72226%0.261SS*.Hα-helixtrans-61.3-30.5178.7-61.6-31.8000113.6K858 S864K858-D860 VanDerWaalsContact C-N 3.27Å; K858-D860 PolarHBondContact O-N 3Å; D860-S864 PolarHBondContact O-N 3.37Å; D860-S864 VanDerWaalsContact O-N 3.15Å
861E90.6Very high85.6Confident29 Ų2953.5 Ų53.514%0.13628%0.279CS..Hα-helixtrans-71.9-41.8176.7-65.417315200110.5L847 K850 K858 E859 S864 I865L847-E861 HydrophobicContact CD2-CB 3.82Å; L847-E861 HydrophobicContact CD2-CG 3.93Å; K850-E861 IonicContact NZ-OE1 3.79Å; K850-E861 PolarHBondContact NZ-OE1 3.06Å; K850-E861 IonicContact NZ-OE2 2.73Å; K858-E861 HydrophobicContact CB-CB 4.5Å; K858-E861 HydrophobicContact CB-CG 4.06Å; K858-E861 PolarHBondContact N-OE2 2.84Å; K858-E861 WeakPolarHBondContact O-CA 3.49Å; K858-E861 WeakPolarHBondContact O-CB 3.39Å; K858-E861 PolarHBondContact O-N 3.11Å; E859-E861 VanDerWaalsContact C-N 3.26Å; E859-E861 PolarHBondContact O-N 2.76Å; E861-S864 PolarHBondContact O-N 2.95Å; E861-I865 WeakPolarHBondContact O-CG1 3.29Å; E861-I865 PolarHBondContact O-N 3.43Å
862I92.9Very high86.7Confident0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-65.2-41.8176-54.7170.2000110.4L857 K858 E859 S864 I865 I866 I928 Y971 L975 F979L857-I862 HydrophobicContact CB-CD1 4.11Å; L857-I862 HydrophobicContact CB-CG1 3.71Å; L857-I862 HydrophobicContact CD1-CG1 4.16Å; K858-I862 PolarHBondContact O-N 3.18Å; K858-I862 VanDerWaalsContact O-N 3.1Å; E859-I862 PolarHBondContact O-N 3.22Å; E859-I862 VanDerWaalsContact O-N 3.13Å; I862-S864 VanDerWaalsContact C-N 3.3Å; I862-S864 PolarHBondContact O-N 3.28Å; I862-I865 WeakPolarHBondContact O-CB 3.37Å; I862-I865 PolarHBondContact O-N 3.39Å; I862-I865 VanDerWaalsContact O-N 3.13Å; I862-I866 HydrophobicContact CG2-CD1 3.96Å; I862-I866 HydrophobicContact CG2-CG1 4.36Å; I862-I866 VanDerWaalsContact O-CG1 3.3Å; I862-I866 WeakPolarHBondContact O-CG1 3.45Å; I862-I866 PolarHBondContact O-N 3.27Å; I862-I928 HydrophobicContact CD1-CG2 3.93Å; I862-Y971 HydrophobicContact CD1-CD2 4.16Å; I862-Y971 HydrophobicContact CD1-CE1 4.07Å; I862-Y971 HydrophobicContact CD1-CE2 3.66Å; I862-L975 HydrophobicContact CB-CD1 4.06Å; I862-L975 HydrophobicContact CB-CD2 4.46Å; I862-L975 HydrophobicContact CD1-CD2 4.03Å; I862-L975 HydrophobicContact CG2-CD1 3.75Å; I862-L975 HydrophobicContact CG2-CD2 4.22Å; I862-L975 HydrophobicContact CG2-CG 4.44Å; I862-F979 HydrophobicContact CG2-CE1 4.34Å; I862-F979 HydrophobicContact CG2-CE2 3.94Å; I862-F979 HydrophobicContact CG2-CZ 3.45Å; I862-F979 VanDerWaalsContact CG2-CZ 3.45Å
863W94.4Very high87.9Confident81 Ų8150.1 Ų50.131%0.30727%0.267SS..Hα-helixtrans-54.2-47.3172.2-87.479.3000111.4E859 I865 I866 D867 K974 L975 H978E859-W863 VanDerWaalsContact O-CD1 3.23Å; E859-W863 PolarHBondContact O-N 2.83Å; W863-I865 VanDerWaalsContact C-N 3.32Å; W863-I865 PolarHBondContact O-N 2.81Å; W863-I866 PolarHBondContact O-N 3.43Å; W863-D867 PolarHBondContact O-N 3.26Å; W863-K974 HydrophobicContact CZ2-CB 4.06Å; W863-L975 HydrophobicContact CG-CD1 4.36Å; W863-H978 AromaticContact CD2-CD2 3.67Å; W863-H978 AromaticContact CE3-CD2 3.34Å; W863-H978 AromaticContact CE3-CG 3.92Å; W863-H978 AromaticContact CE3-NE2 3.46Å; W863-H978 HydrophobicContact CH2-CB 4.16Å; W863-H978 HydrophobicContact CZ2-CB 4.32Å; W863-H978 HydrophobicContact CZ3-CB 4.34Å; W863-H978 AromaticContact CZ3-CD2 3.69Å; W863-H978 AromaticContact CZ3-CG 3.78Å; W863-H978 AromaticContact CZ3-ND1 3.98Å; W863-H978 AromaticContact CZ3-NE2 3.85Å
864S92Very high88.9Confident44 Ų4450 Ų5031%0.30828%0.275SS..Hα-helixtrans-63.2-35.2177.8-1750000113.5D860 E861 I862 K868D860-S864 PolarHBondContact O-N 3.37Å; D860-S864 VanDerWaalsContact O-N 3.15Å; E861-S864 PolarHBondContact O-N 2.95Å; I862-S864 VanDerWaalsContact C-N 3.3Å; I862-S864 PolarHBondContact O-N 3.28Å; S864-K868 VanDerWaalsContact O-CG 3.32Å; S864-K868 WeakPolarHBondContact O-CG 3.41Å; S864-K868 PolarHBondContact O-N 2.87Å
865I93.1Very high90Very high1 Ų153 Ų531%0.00529%0.294CS..Hα-helixtrans-65.2-46.5175.2-67.2169.1000110.2L847 L857 E861 I862 W863 K868 A869 F935 L936L847-I865 HydrophobicContact CD1-CD1 4.02Å; L847-I865 HydrophobicContact CD1-CG1 3.77Å; L857-I865 HydrophobicContact CD1-CD1 3.89Å; E861-I865 WeakPolarHBondContact O-CG1 3.29Å; E861-I865 PolarHBondContact O-N 3.43Å; I862-I865 WeakPolarHBondContact O-CB 3.37Å; I862-I865 PolarHBondContact O-N 3.39Å; I862-I865 VanDerWaalsContact O-N 3.13Å; W863-I865 VanDerWaalsContact C-N 3.32Å; W863-I865 PolarHBondContact O-N 2.81Å; I865-K868 PolarHBondContact O-N 2.97Å; I865-A869 WeakPolarHBondContact O-CB 3.5Å; I865-A869 PolarHBondContact O-N 2.7Å; I865-F935 HydrophobicContact CG2-CB 3.67Å; I865-L936 HydrophobicContact CG1-CD1 4.4Å; I865-L936 HydrophobicContact CG2-CB 4.33Å
866I95.7Very high90.9Very high0 Ų051.8 Ų51.80%029%0.285CS..Hα-helixtrans-62.5-47.5-179.7-64.1165.6000110.7I862 W863 K868 A869 I870 F935 L975 H978 F979 A982I862-I866 HydrophobicContact CG2-CD1 3.96Å; I862-I866 HydrophobicContact CG2-CG1 4.36Å; I862-I866 VanDerWaalsContact O-CG1 3.3Å; I862-I866 WeakPolarHBondContact O-CG1 3.45Å; I862-I866 PolarHBondContact O-N 3.27Å; W863-I866 PolarHBondContact O-N 3.43Å; I866-K868 VanDerWaalsContact C-N 3.33Å; I866-K868 PolarHBondContact O-N 3.35Å; I866-A869 PolarHBondContact O-N 2.91Å; I866-A869 VanDerWaalsContact O-N 3.11Å; I866-I870 HydrophobicContact CG2-CD1 3.96Å; I866-I870 HydrophobicContact CG2-CG1 4.4Å; I866-I870 WeakPolarHBondContact O-CG1 3.47Å; I866-I870 PolarHBondContact O-N 3Å; I866-F935 HydrophobicContact CG1-CD2 4.24Å; I866-F935 HydrophobicContact CG1-CE2 4.39Å; I866-L975 HydrophobicContact CD1-CD1 3.75Å; I866-H978 HydrophobicContact CD1-CB 4.4Å; I866-H978 VanDerWaalsContact CG2-CD2 3.44Å; I866-H978 WeakPolarHBondContact CG2-CD2 3.32Å; I866-H978 WeakPolarHBondContact CG2-NE2 3.28Å; I866-F979 HydrophobicContact CD1-CD1 3.65Å; I866-F979 HydrophobicContact CD1-CD2 3.95Å; I866-F979 HydrophobicContact CD1-CE1 3.58Å; I866-F979 HydrophobicContact CD1-CE2 3.92Å; I866-F979 HydrophobicContact CD1-CG 3.82Å; I866-F979 HydrophobicContact CD1-CZ 3.74Å; I866-F979 HydrophobicContact CG1-CD1 3.84Å; I866-F979 HydrophobicContact CG1-CE1 3.63Å; I866-F979 HydrophobicContact CG1-CG 4.49Å; I866-F979 HydrophobicContact CG1-CZ 4.17Å; I866-A982 HydrophobicContact CG2-CB 3.8Å
867D94.5Very high91.6Very high83 Ų8353.3 Ų53.344%0.44429%0.292SS..Hα-helixtrans-57.4-44.8178.8-79.9-32.9000111.9W863 A869 I870 V871 H978W863-D867 PolarHBondContact O-N 3.26Å; D867-A869 VanDerWaalsContact C-N 3.34Å; D867-A869 PolarHBondContact O-N 2.71Å; D867-I870 PolarHBondContact O-N 3.22Å; D867-V871 WeakPolarHBondContact O-CG2 3.44Å; D867-V871 PolarHBondContact O-N 3.01Å; D867-H978 IonicContact OD1-CE1 2.79Å; D867-H978 PolarHBondContact OD1-CE1 3.4Å; D867-H978 IonicContact OD1-NE2 3.95Å; D867-H978 PolarHBondContact OD1-NE2 3.11Å
868K92.2Very high92.1Very high80 Ų8053 Ų5335%0.34829%0.29SS..Hα-helixtrans-64.8-38.9176.9-72.9172.3-179.91700111.7S864 I865 I866 V871 A872S864-K868 VanDerWaalsContact O-CG 3.32Å; S864-K868 WeakPolarHBondContact O-CG 3.41Å; S864-K868 PolarHBondContact O-N 2.87Å; I865-K868 PolarHBondContact O-N 2.97Å; I866-K868 VanDerWaalsContact C-N 3.33Å; I866-K868 PolarHBondContact O-N 3.35Å; K868-V871 PolarHBondContact O-N 3.47Å; K868-A872 PolarHBondContact O-N 2.69Å
869A93.8Very high92.5Very high0 Ų046.4 Ų46.40%026%0.262CS..Hα-helixtrans-68-40.2178.300000112.4I865 I866 D867 V871 A872 L873 F935 S939I865-A869 WeakPolarHBondContact O-CB 3.5Å; I865-A869 PolarHBondContact O-N 2.7Å; I866-A869 PolarHBondContact O-N 2.91Å; I866-A869 VanDerWaalsContact O-N 3.11Å; D867-A869 VanDerWaalsContact C-N 3.34Å; D867-A869 PolarHBondContact O-N 2.71Å; A869-V871 VanDerWaalsContact C-N 3.28Å; A869-V871 PolarHBondContact O-N 3.27Å; A869-A872 PolarHBondContact O-N 3.21Å; A869-L873 VanDerWaalsContact O-CB 3.25Å; A869-L873 WeakPolarHBondContact O-CB 3.44Å; A869-L873 WeakPolarHBondContact O-CG 3.29Å; A869-L873 PolarHBondContact O-N 2.96Å; A869-F935 HydrophobicContact CB-CB 3.59Å; A869-F935 HydrophobicContact CB-CD1 3.99Å; A869-F935 HydrophobicContact CB-CD2 3.93Å; A869-F935 HydrophobicContact CB-CG 3.58Å; A869-S939 WeakPolarHBondContact CA-OG 3.32Å; A869-S939 PolarHBondContact N-OG 3.09Å
870I94.8Very high92.6Very high44 Ų4444 Ų4423%0.22625%0.251CS..Hα-helixtrans-56.5-44.6174.8-71.7169000110.5I866 D867 G874 E981 A982I866-I870 HydrophobicContact CG2-CD1 3.96Å; I866-I870 HydrophobicContact CG2-CG1 4.4Å; I866-I870 WeakPolarHBondContact O-CG1 3.47Å; I866-I870 PolarHBondContact O-N 3Å; D867-I870 PolarHBondContact O-N 3.22Å; I870-G874 PolarHBondContact O-N 2.98Å; I870-E981 HydrophobicContact CD1-CB 4.34Å; I870-A982 HydrophobicContact CD1-CB 4.21Å; I870-A982 HydrophobicContact CG1-CB 3.74Å
871V93.4Very high92.8Very high102 Ų10242 Ų4262%0.61824%0.238SC*.Hα-helixtrans-64.6-46.9176.8176.90000111.2D867 K868 A869 L873 G874 N875D867-V871 WeakPolarHBondContact O-CG2 3.44Å; D867-V871 PolarHBondContact O-N 3.01Å; K868-V871 PolarHBondContact O-N 3.47Å; A869-V871 VanDerWaalsContact C-N 3.28Å; A869-V871 PolarHBondContact O-N 3.27Å; V871-L873 PolarHBondContact O-N 3.37Å; V871-G874 PolarHBondContact O-N 3.05Å; V871-N875 PolarHBondContact O-ND2 3.23Å
872A92.5Very high93.1Very high11 Ų1140.7 Ų40.79%0.09123%0.232CC..Hα-helixtrans-64.4-40-179.100000112.7K868 A869 K938K868-A872 PolarHBondContact O-N 2.69Å; A869-A872 PolarHBondContact O-N 3.21Å; A872-K938 HydrophobicContact CB-CG 4.18Å
873L93.8Very high93.1Very high0 Ų044.2 Ų44.20%026%0.256CS..Hα-helixtrans-75.6-28.5179.5-69.5169.6000113.3A869 V871 N875 D876 F935 K938 I947 C985 L986 R1018A869-L873 VanDerWaalsContact O-CB 3.25Å; A869-L873 WeakPolarHBondContact O-CB 3.44Å; A869-L873 WeakPolarHBondContact O-CG 3.29Å; A869-L873 PolarHBondContact O-N 2.96Å; V871-L873 PolarHBondContact O-N 3.37Å; L873-N875 PolarHBondContact O-N 3.41Å; L873-D876 PolarHBondContact O-N 2.96Å; L873-F935 HydrophobicContact CD1-CE1 4.25Å; L873-K938 HydrophobicContact CD2-CD 4.31Å; L873-K938 HydrophobicContact CD2-CG 3.91Å; L873-K938 HydrophobicContact CG-CG 4.25Å; L873-I947 HydrophobicContact CD2-CD1 4.11Å; L873-I947 HydrophobicContact CD2-CG1 3.9Å; L873-C985 HydrophobicContact CB-CB 4.35Å; L873-C985 VanDerWaalsContact CB-O 3.25Å; L873-C985 WeakPolarHBondContact CB-O 3.44Å; L873-L986 HydrophobicContact CD1-CD2 3.8Å; L873-L986 HydrophobicContact CD1-CG 4.42Å; L873-L986 HydrophobicContact CD2-CD2 3.98Å; L873-R1018 PolarHBondContact O-NH2 3.12Å
874G87.4Confident92.9Very high55 Ų5541.1 Ų41.157%0.56725%0.248SC*.Hα-helixtrans-65.9-20.3175.500000113.8I870 V871I870-G874 PolarHBondContact O-N 2.98Å; V871-G874 PolarHBondContact O-N 3.05Å
875N89.2Confident93Very high132 Ų13241.2 Ų41.271%0.70625%0.247SC*.THydrogen-bonded Turntrans-81.6-18.9176-67-32.1000113.5V871 L873V871-N875 PolarHBondContact O-ND2 3.23Å; L873-N875 PolarHBondContact O-N 3.41Å
876D89.4Confident93.2Very high33 Ų3341.2 Ų41.218%0.17625%0.247CC..SBendtrans-80.5150.9179.9-69.4-8.2000110.9L873 V880 K938 P987 R1018L873-D876 PolarHBondContact O-N 2.96Å; D876-V880 HydrophobicContact CB-CG2 4.21Å; D876-K938 IonicContact OD1-NZ 3.71Å; D876-K938 PolarHBondContact OD1-NZ 3.3Å; D876-K938 VanDerWaalsContact OD2-CE 3.31Å; D876-K938 WeakPolarHBondContact OD2-CE 3.33Å; D876-K938 IonicContact OD2-NZ 3.15Å; D876-K938 PolarHBondContact OD2-NZ 2.94Å; D876-P987 HydrophobicContact CB-CG 4.03Å; D876-R1018 PolarHBondContact O-NH2 2.9Å
877C91.5Very high93.2Very high79 Ų7942.4 Ų42.453%0.53425%0.252SS..  trans-76.1160.6164.2-66.20000110.5L879C877-L879 WeakPolarHBondContact CB-O 3.44Å; C877-L879 PolarHBondContact O-N 3.23Å
878T93.4Very high93.3Very high4 Ų438.5 Ų38.53%0.02523%0.231CC..SBendtrans-62.5-28.7175.5-59.10000112.7V988 A989 L1013 I1016 R1018T878-V988 HydrophobicContact CG2-CB 4.01Å; T878-V988 HydrophobicContact CG2-CG2 4Å; T878-V988 PolarHBondContact O-N 3.13Å; T878-A989 PolarHBondContact O-N 3.04Å; T878-L1013 WeakPolarHBondContact CB-O 3.23Å; T878-I1016 HydrophobicContact CG2-CB 3.96Å; T878-I1016 HydrophobicContact CG2-CD1 4.43Å; T878-I1016 HydrophobicContact CG2-CG2 4.08Å; T878-I1016 PolarHBondContact OG1-O 3.19Å; T878-R1018 WeakPolarHBondContact OG1-CD 3.49Å; T878-R1018 VanDerWaalsContact OG1-CG 3.31Å; T878-R1018 WeakPolarHBondContact OG1-CG 3.4Å; T878-R1018 PolarHBondContact OG1-NE 2.98Å; T878-R1018 VanDerWaalsContact OG1-NE 3.12Å
879L95.8Very high93.6Very high3 Ų334.7 Ų34.72%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-102.5108163.4-179.567.2000109.1C877 A989 L991 L997 L1010 L1013 R1014C877-L879 WeakPolarHBondContact CB-O 3.44Å; C877-L879 PolarHBondContact O-N 3.23Å; L879-A989 CarbonylContact C-O 3.52Å; L879-A989 WeakPolarHBondContact CA-O 3.39Å; L879-A989 HydrophobicContact CD1-CB 3.68Å; L879-L991 HydrophobicContact CD1-CB 4.19Å; L879-L991 HydrophobicContact CG-CB 4.48Å; L879-L997 HydrophobicContact CD1-CD1 4.09Å; L879-L1010 HydrophobicContact CD2-CB 4.06Å; L879-L1010 HydrophobicContact CD2-CD2 4.49Å; L879-L1013 HydrophobicContact CB-CB 3.96Å; L879-L1013 HydrophobicContact CD1-CD1 4.17Å; L879-L1013 HydrophobicContact CD2-CB 4.5Å; L879-R1014 HydrophobicContact CB-CG 4.12Å; L879-R1014 HydrophobicContact CD2-CG 4.01Å
880V94.9Very high93.7Very high8 Ų834.7 Ų34.75%0.04821%0.214CC..EExtended strand (participates in β ladder)trans-85.1130.2-179.1-176.60000110.4D876 V882 Y946 L948 P987 A989 A990 L991D876-V880 HydrophobicContact CB-CG2 4.21Å; V880-V882 HydrophobicContact CG1-CG2 3.91Å; V880-Y946 HydrophobicContact CG1-CD1 3.41Å; V880-Y946 VanDerWaalsContact CG1-CD1 3.41Å; V880-Y946 HydrophobicContact CG1-CE1 3.6Å; V880-Y946 HydrophobicContact CG1-CG 4.26Å; V880-L948 HydrophobicContact CG2-CD2 4.48Å; V880-P987 HydrophobicContact CG2-CB 3.49Å; V880-P987 VanDerWaalsContact CG2-CB 3.49Å; V880-P987 HydrophobicContact CG2-CG 3.62Å; V880-A989 PolarHBondContact N-O 3.08Å; V880-A990 HydrophobicContact CB-CB 4.2Å; V880-A990 CarbonylContact O-C 3.44Å; V880-A990 WeakPolarHBondContact O-CA 3.31Å; V880-L991 PolarHBondContact O-N 3.11Å
881E94.3Very high93.8Very high93 Ų9332.6 Ų32.644%0.43520%0.204SC..EExtended strand (participates in β ladder)trans-91.7122.9172.8-61.9-160.4-178.400110.6R1014E881-R1014 IonicContact OE1-CZ 2.83Å; E881-R1014 IonicContact OE1-NE 3.08Å; E881-R1014 IonicContact OE1-NH2 2.81Å; E881-R1014 PolarHBondContact OE1-NH2 3.37Å
882V95Very high93.8Very high2 Ų227.8 Ų27.81%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-122.1129.5-174.8-1770000108.9V880 V886 R913 Y946 A990 L991 V992 S993V880-V882 HydrophobicContact CG1-CG2 3.91Å; V882-V886 HydrophobicContact CG1-CB 4.27Å; V882-V886 HydrophobicContact CG1-CG1 4.42Å; V882-V886 HydrophobicContact CG1-CG2 4.05Å; V882-R913 HydrophobicContact CG1-CG 4.45Å; V882-Y946 HydrophobicContact CB-CE2 4.4Å; V882-Y946 HydrophobicContact CG1-CD2 3.95Å; V882-Y946 HydrophobicContact CG1-CE2 3.8Å; V882-Y946 HydrophobicContact CG2-CD1 4.23Å; V882-Y946 HydrophobicContact CG2-CD2 3.83Å; V882-Y946 HydrophobicContact CG2-CE1 4.33Å; V882-Y946 HydrophobicContact CG2-CE2 3.98Å; V882-Y946 HydrophobicContact CG2-CG 3.93Å; V882-A990 HydrophobicContact CG2-CB 4.26Å; V882-L991 PolarHBondContact N-O 2.86Å; V882-V992 HydrophobicContact CB-CG2 4.19Å; V882-V992 CarbonylContact O-C 3.56Å; V882-V992 VanDerWaalsContact O-CA 3.27Å; V882-V992 WeakPolarHBondContact O-CA 3.17Å; V882-S993 PolarHBondContact O-N 3.38Å
883S93.5Very high93.9Very high74 Ų7427.5 Ų27.552%0.51717%0.171SC..PPolyproline II helixtrans-88.6142.7173.6-57.40000111R913S883-R913 WeakPolarHBondContact O-CD 3.39Å; S883-R913 PolarHBondContact O-NH1 3.48Å
884A91.3Very high93.7Very high15 Ų1527.5 Ų27.512%0.12417%0.172CC..SBendtrans-69.9152165.400000110.6S993 V1112 D1113 L1116A884-S993 WeakPolarHBondContact CB-OG 3.48Å; A884-S993 PolarHBondContact N-OG 3.34Å; A884-V1112 HydrophobicContact CB-CG1 4.19Å; A884-D1113 WeakPolarHBondContact CB-O 3.41Å; A884-L1116 HydrophobicContact CB-CD2 4.19Å
885P94.5Very high93.8Very high46 Ų4626.4 Ų26.430%0.29915%0.151SC..SBendcis-79.1141.9632.2-33.6000113F1111 V1112 E1114P885-F1111 HydrophobicContact CB-CE2 3.87Å; P885-F1111 HydrophobicContact CB-CZ 3.72Å; P885-V1112 CarbonylContact C-O 3.37Å; P885-V1112 WeakPolarHBondContact CA-O 3.38Å; P885-E1114 HydrophobicContact CG-CG 4.38Å
886V95.7Very high93.8Very high1 Ų120.4 Ų20.41%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-147.9142.4-17960.80000111.9V882 I888 R913 L915 V992 V1112V882-V886 HydrophobicContact CG1-CB 4.27Å; V882-V886 HydrophobicContact CG1-CG1 4.42Å; V882-V886 HydrophobicContact CG1-CG2 4.05Å; V886-I888 HydrophobicContact CG1-CG1 4.33Å; V886-R913 HydrophobicContact CB-CB 4.46Å; V886-R913 HydrophobicContact CB-CG 4.24Å; V886-R913 HydrophobicContact CG2-CB 4.41Å; V886-R913 HydrophobicContact CG2-CG 3.94Å; V886-L915 HydrophobicContact CG2-CB 3.99Å; V886-V992 HydrophobicContact CG1-CG1 3.59Å; V886-V992 HydrophobicContact CG1-CG2 4.22Å; V886-V1112 HydrophobicContact CG1-CB 4.13Å; V886-V1112 PolarHBondContact N-O 3.23Å; V886-V1112 PolarHBondContact O-N 2.89Å
887W96.7Very high93.7Very high26 Ų2622.4 Ų22.410%0.09813%0.125CC..EExtended strand (participates in β ladder)trans-91.1128.5165.3-75.7102.7000110.4G906 R913 Y914 L915 M1109 M1110 F1111 T1121W887-G906 PolarHBondContact NE1-O 2.83Å; W887-G906 VanDerWaalsContact NE1-O 3.14Å; W887-R913 PolarHBondContact N-O 3.06Å; W887-Y914 HydrophobicContact CB-CD1 3.61Å; W887-Y914 HydrophobicContact CB-CE1 3.56Å; W887-Y914 HydrophobicContact CB-CG 4.28Å; W887-Y914 HydrophobicContact CG-CE1 4.03Å; W887-Y914 CarbonylContact O-C 3.36Å; W887-Y914 WeakPolarHBondContact O-CA 3.37Å; W887-L915 PolarHBondContact O-N 3.31Å; W887-M1109 HydrophobicContact CD2-SD 4.29Å; W887-M1109 HydrophobicContact CE3-CB 4.17Å; W887-M1109 HydrophobicContact CE3-CG 3.74Å; W887-M1109 HydrophobicContact CE3-SD 3.63Å; W887-M1109 HydrophobicContact CH2-SD 4.45Å; W887-M1109 HydrophobicContact CZ3-CB 4.44Å; W887-M1109 HydrophobicContact CZ3-CG 3.63Å; W887-M1109 HydrophobicContact CZ3-SD 3.73Å; W887-M1110 CarbonylContact C-O 3.6Å; W887-M1110 WeakPolarHBondContact CA-O 3.4Å; W887-F1111 AromaticContact CD1-CD2 3.89Å; W887-F1111 HydrophobicContact CD2-CB 3.89Å; W887-F1111 AromaticContact CD2-CD2 3.8Å; W887-F1111 HydrophobicContact CD2-CD2 3.8Å; W887-F1111 HydrophobicContact CD2-CG 4.29Å; W887-F1111 AromaticContact CE2-CD2 3.56Å; W887-F1111 HydrophobicContact CE3-CB 3.68Å; W887-F1111 HydrophobicContact CE3-CD2 4.47Å; W887-F1111 HydrophobicContact CG-CD2 4.01Å; W887-F1111 HydrophobicContact CH2-CB 3.71Å; W887-F1111 HydrophobicContact CH2-CG 4.42Å; W887-F1111 HydrophobicContact CZ2-CB 3.89Å; W887-F1111 HydrophobicContact CZ2-CD2 4.06Å; W887-F1111 HydrophobicContact CZ2-CG 4.12Å; W887-F1111 HydrophobicContact CZ3-CB 3.59Å; W887-F1111 AromaticContact NE1-CD2 3.63Å; W887-T1121 WeakPolarHBondContact CH2-OG1 3.45Å
888I97.1Very high93.5Very high0 Ų019.8 Ų19.80%011%0.106CC..EExtended strand (participates in β ladder)trans-108.6122.2177.7-48.5-170.4000108.8V886 L915 L917 V992 I1093 M1109 M1110 V1112V886-I888 HydrophobicContact CG1-CG1 4.33Å; I888-L915 CarbonylContact C-O 3.44Å; I888-L915 VanDerWaalsContact CA-O 3.29Å; I888-L915 WeakPolarHBondContact CA-O 3.47Å; I888-L915 HydrophobicContact CD1-CD2 4.3Å; I888-L915 HydrophobicContact CG1-CB 4.48Å; I888-L915 HydrophobicContact CG1-CD2 4.41Å; I888-L915 HydrophobicContact CG2-CD2 4.43Å; I888-L917 HydrophobicContact CG2-CD1 3.84Å; I888-L917 HydrophobicContact CG2-CD2 3.85Å; I888-L917 HydrophobicContact CG2-CG 3.84Å; I888-V992 HydrophobicContact CD1-CG2 4Å; I888-I1093 HydrophobicContact CB-CD1 4.24Å; I888-I1093 HydrophobicContact CG2-CD1 4.02Å; I888-M1109 WeakPolarHBondContact O-CA 3.1Å; I888-M1110 HydrophobicContact CB-CB 4.33Å; I888-M1110 HydrophobicContact CB-CE 4.43Å; I888-M1110 HydrophobicContact CD1-CE 3.63Å; I888-M1110 HydrophobicContact CG1-CE 4.32Å; I888-M1110 PolarHBondContact N-O 3.15Å; I888-M1110 PolarHBondContact O-N 3.27Å; I888-V1112 HydrophobicContact CD1-CG2 4.05Å; I888-V1112 HydrophobicContact CG1-CG2 4.46Å
889C96.9Very high93.4Very high0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans-116.5139.4-179.4-60.20000110L915 F916 L917 S1095C889-L915 PolarHBondContact N-O 2.89Å; C889-F916 HydrophobicContact CB-CD1 3.46Å; C889-F916 VanDerWaalsContact CB-CD1 3.46Å; C889-F916 HydrophobicContact CB-CD2 4.42Å; C889-F916 HydrophobicContact CB-CE1 3.44Å; C889-F916 VanDerWaalsContact CB-CE1 3.44Å; C889-F916 HydrophobicContact CB-CE2 4.39Å; C889-F916 HydrophobicContact CB-CG 3.97Å; C889-F916 HydrophobicContact CB-CZ 3.93Å; C889-F916 WeakPolarHBondContact O-CA 3.27Å; C889-L917 WeakPolarHBondContact O-CG 3.05Å; C889-L917 PolarHBondContact O-N 2.8Å; C889-S1095 WeakPolarHBondContact CA-OG 3.25Å
890G96.4Very high93.1Very high0 Ų020.6 Ų20.60%011%0.109CC..  trans-89.6-149.9174.800000112.9I1093 S1095G890-I1093 WeakPolarHBondContact CA-O 3.32Å; G890-S1095 PolarHBondContact N-OG 2.95Å
891D96.8Very high92.8Very high1 Ų120.4 Ų20.41%0.00511%0.108CC..BIsolated β-bridgetrans-58.5142.7-176.9-52.55.9000111.7H893 D919 H1000 A1074 H1075 F1094 S1095 A1096D891-H893 IonicContact OD2-NE2 2.69Å; D891-D919 HydrophobicContact CB-CB 4.03Å; D891-H1000 IonicContact OD1-CE1 2.66Å; D891-H1000 PolarHBondContact OD1-CE1 2.82Å; D891-H1000 IonicContact OD1-ND1 3.79Å; D891-H1000 IonicContact OD2-CE1 2.74Å; D891-A1074 WeakPolarHBondContact OD1-CB 3.24Å; D891-H1075 PolarHBondContact OD1-N 3.13Å; D891-H1075 WeakPolarHBondContact OD2-CA 3.26Å; D891-H1075 PolarHBondContact OD2-N 3.4Å; D891-H1075 VanDerWaalsContact OD2-N 3.08Å; D891-F1094 HydrophobicContact CB-CD2 3.77Å; D891-F1094 HydrophobicContact CB-CE2 3.48Å; D891-F1094 VanDerWaalsContact CB-CE2 3.48Å; D891-F1094 HydrophobicContact CB-CZ 3.98Å; D891-F1094 WeakPolarHBondContact OD2-CD2 3.29Å; D891-F1094 WeakPolarHBondContact OD2-CE2 3.42Å; D891-S1095 CarbonylContact O-C 3.49Å; D891-S1095 WeakPolarHBondContact O-CA 3.35Å; D891-S1095 WeakPolarHBondContact O-CB 3.38Å; D891-S1095 PolarHBondContact O-N 2.91Å; D891-A1096 WeakPolarHBondContact O-CB 3.32Å; D891-A1096 PolarHBondContact O-N 2.95Å
892T94.5Very high92.6Very high1 Ų116 Ų161%0.0069%0.087CC..  trans-129.7-25.1-178.855.20000113.7G894 Q895 V899 L902 F916 D919T892-G894 PolarHBondContact O-N 3.2Å; T892-Q895 WeakPolarHBondContact O-CB 3.47Å; T892-Q895 PolarHBondContact O-N 2.91Å; T892-V899 HydrophobicContact CG2-CG2 3.66Å; T892-L902 HydrophobicContact CG2-CD1 4.41Å; T892-F916 HydrophobicContact CG2-CD1 4.21Å; T892-F916 HydrophobicContact CG2-CE1 4.02Å; T892-D919 PolarHBondContact N-O 3.26Å; T892-D919 PolarHBondContact OG1-O 2.99Å
893H93.5Very high92.4Very high4 Ų415.9 Ų15.92%0.0199%0.087CC..THydrogen-bonded Turntrans44.554.5165.7-75.4-62.5000115D891 Q895 D919 V921 D922 R923 G924 H952 F1094 Y1099D891-H893 IonicContact OD2-NE2 2.69Å; H893-Q895 PolarHBondContact O-N 3.36Å; H893-Q895 VanDerWaalsContact O-N 3.11Å; H893-D919 IonicContact CE1-OD2 2.92Å; H893-D919 PolarHBondContact CE1-OD2 3.04Å; H893-D919 PolarHBondContact N-O 2.62Å; H893-D919 IonicContact NE2-OD2 2.74Å; H893-V921 PolarHBondContact ND1-O 3.08Å; H893-D922 CarbonylContact C-O 3.5Å; H893-D922 WeakPolarHBondContact CA-O 3.47Å; H893-D922 WeakPolarHBondContact CB-O 3.3Å; H893-D922 VanDerWaalsContact O-O 3.05Å; H893-R923 HydrophobicContact CB-CB 4.14Å; H893-G924 WeakPolarHBondContact O-CA 3.35Å; H893-G924 PolarHBondContact O-N 3.19Å; H893-H952 AromaticContact CE1-CD2 3.52Å; H893-H952 AromaticContact CE1-CE1 3.99Å; H893-H952 AromaticContact CE1-CG 3.8Å; H893-H952 AromaticContact CE1-NE2 3.67Å; H893-F1094 AromaticContact CD2-CZ 3.95Å; H893-Y1099 HydrophobicContact CB-CD2 4.37Å; H893-Y1099 HydrophobicContact CB-CE2 3.75Å; H893-Y1099 AromaticContact CD2-CD2 3.99Å; H893-Y1099 AromaticContact CD2-CE2 3.12Å; H893-Y1099 WeakPolarHBondContact CD2-CE2 3.34Å; H893-Y1099 AromaticContact CD2-CZ 3.62Å; H893-Y1099 PolarHBondContact CD2-OH 2.99Å; H893-Y1099 AromaticContact CG-CE2 3.55Å; H893-Y1099 AromaticContact NE2-CE2 3.72Å; H893-Y1099 AromaticContact NE2-CZ 3.7Å; H893-Y1099 PolarHBondContact NE2-OH 3.31Å; H893-Y1099 VanDerWaalsContact NE2-OH 3.11Å
894G89.9Confident92Very high1 Ų116 Ų161%0.018%0.079CC..THydrogen-bonded Turntrans65.216.2175.900000115.5T892 F896 Y920 H926T892-G894 PolarHBondContact O-N 3.2Å; G894-F896 VanDerWaalsContact C-N 3.35Å; G894-F896 PolarHBondContact O-N 2.92Å; G894-Y920 PolarHBondContact N-O 3.19Å; G894-H926 WeakPolarHBondContact O-CA 3.24Å; G894-H926 WeakPolarHBondContact O-CB 3.37Å; G894-H926 PolarHBondContact O-N 3.41Å; G894-H926 VanDerWaalsContact O-N 3.08Å
895Q89.3Confident91.6Very high31 Ų3117.7 Ų17.715%0.1458%0.084CC..  trans-87.970172.7-65.6-172.4-78.500111.3T892 H893 Y897 D898 V899 A1096 P1097T892-Q895 WeakPolarHBondContact O-CB 3.47Å; T892-Q895 PolarHBondContact O-N 2.91Å; H893-Q895 PolarHBondContact O-N 3.36Å; H893-Q895 VanDerWaalsContact O-N 3.11Å; Q895-Y897 VanDerWaalsContact C-N 3.35Å; Q895-Y897 PolarHBondContact O-N 2.93Å; Q895-D898 HydrophobicContact CB-CB 4.17Å; Q895-D898 PolarHBondContact NE2-OD2 2.94Å; Q895-D898 PolarHBondContact O-N 2.93Å; Q895-D898 VanDerWaalsContact O-N 3.1Å; Q895-V899 PolarHBondContact O-N 2.63Å; Q895-V899 VanDerWaalsContact O-N 3.11Å; Q895-A1096 VanDerWaalsContact OE1-CA 3.25Å; Q895-P1097 PolarHBondContact NE2-O 3.1Å; Q895-P1097 PolarHBondContact OE1-O 3.33Å
896F89.6Confident91Very high6 Ų615.7 Ų15.73%0.0267%0.072CC..Hα-helixtrans-51.1-46.7-175.1179.4-103.6000114.3M851 G894 D898 V899 I900 H926 E929 V930 L933M851-F896 HydrophobicContact CB-CZ 4.45Å; M851-F896 HydrophobicContact CE-CE2 4.16Å; G894-F896 VanDerWaalsContact C-N 3.35Å; G894-F896 PolarHBondContact O-N 2.92Å; F896-D898 VanDerWaalsContact C-N 3.31Å; F896-D898 PolarHBondContact O-N 3.01Å; F896-V899 WeakPolarHBondContact O-CB 3.07Å; F896-V899 PolarHBondContact O-N 3.43Å; F896-I900 HydrophobicContact CD1-CG1 4.4Å; F896-I900 HydrophobicContact CE1-CD1 4.35Å; F896-I900 HydrophobicContact CE1-CG1 4.04Å; F896-I900 HydrophobicContact CE2-CD1 4.34Å; F896-I900 HydrophobicContact CZ-CD1 3.98Å; F896-I900 HydrophobicContact CZ-CG1 4.16Å; F896-I900 WeakPolarHBondContact O-CG1 3.32Å; F896-I900 PolarHBondContact O-N 2.78Å; F896-H926 HydrophobicContact CB-CB 3.6Å; F896-E929 HydrophobicContact CB-CB 4.34Å; F896-E929 HydrophobicContact CD2-CB 3.52Å; F896-E929 HydrophobicContact CE2-CB 3.91Å; F896-E929 HydrophobicContact CG-CB 3.94Å; F896-V930 HydrophobicContact CB-CG2 3.92Å; F896-V930 HydrophobicContact CD2-CG2 4.39Å; F896-L933 HydrophobicContact CE2-CB 4.46Å; F896-L933 HydrophobicContact CE2-CD2 3.96Å
897Y86.8Confident90.6Very high75 Ų7516.7 Ų16.729%0.2948%0.083SC..Hα-helixtrans-67.1-32.7-178.2-59-77000113H854 Q895 I900 R901 H926H854-Y897 AromaticContact CE1-CE1 3.42Å; H854-Y897 VanDerWaalsContact CE1-CE1 3.42Å; H854-Y897 WeakPolarHBondContact CE1-CE1 3.46Å; H854-Y897 AromaticContact ND1-CE1 3.97Å; Q895-Y897 VanDerWaalsContact C-N 3.35Å; Q895-Y897 PolarHBondContact O-N 2.93Å; Y897-I900 WeakPolarHBondContact O-CB 3.32Å; Y897-I900 PolarHBondContact O-N 3.25Å; Y897-R901 WeakPolarHBondContact O-CG 3.28Å; Y897-R901 PolarHBondContact O-N 2.81Å; Y897-H926 AromaticContact CE2-CD2 3.75Å; Y897-H926 AromaticContact CE2-NE2 3.28Å; Y897-H926 VanDerWaalsContact CE2-NE2 3.28Å; Y897-H926 WeakPolarHBondContact CE2-NE2 3.38Å; Y897-H926 AromaticContact CZ-NE2 3.94Å
898D88.7Confident90.1Very high25 Ų2518.6 Ų18.613%0.1349%0.09CC..Hα-helixtrans-72.7-33.7176.4-62.9-61000111.1Q895 F896 I900 R901 L902 P1097 L1123Q895-D898 HydrophobicContact CB-CB 4.17Å; Q895-D898 PolarHBondContact NE2-OD2 2.94Å; Q895-D898 PolarHBondContact O-N 2.93Å; Q895-D898 VanDerWaalsContact O-N 3.1Å; F896-D898 VanDerWaalsContact C-N 3.31Å; F896-D898 PolarHBondContact O-N 3.01Å; D898-I900 VanDerWaalsContact C-N 3.34Å; D898-I900 PolarHBondContact O-N 2.86Å; D898-R901 CarbonylContact O-C 3.44Å; D898-R901 WeakPolarHBondContact O-CA 3.44Å; D898-R901 WeakPolarHBondContact O-CB 3.23Å; D898-R901 PolarHBondContact O-N 2.86Å; D898-R901 VanDerWaalsContact O-N 3.12Å; D898-R901 WeakPolarHBondContact OD1-CD 3.41Å; D898-R901 IonicContact OD1-CZ 3.24Å; D898-R901 IonicContact OD1-NH1 3.96Å; D898-R901 PolarHBondContact OD1-NH1 2.91Å; D898-L902 WeakPolarHBondContact O-CG 3.41Å; D898-L902 PolarHBondContact O-N 3.41Å; D898-P1097 HydrophobicContact CB-CG 3.81Å; D898-P1097 VanDerWaalsContact OD1-CG 3.3Å; D898-P1097 WeakPolarHBondContact OD1-CG 3.08Å; D898-L1123 HydrophobicContact CB-CD2 4.42Å
899V91.2Very high89.6Confident2 Ų219.1 Ų19.11%0.0129%0.093CC..Hα-helixtrans-59.5-43.4168.3172.30000111.8T892 Q895 F896 R901 L902 F903 V930 L933 M934T892-V899 HydrophobicContact CG2-CG2 3.66Å; Q895-V899 PolarHBondContact O-N 2.63Å; Q895-V899 VanDerWaalsContact O-N 3.11Å; F896-V899 WeakPolarHBondContact O-CB 3.07Å; F896-V899 PolarHBondContact O-N 3.43Å; V899-R901 VanDerWaalsContact C-N 3.3Å; V899-R901 PolarHBondContact O-N 2.9Å; V899-L902 WeakPolarHBondContact O-CB 3.3Å; V899-L902 PolarHBondContact O-N 3.19Å; V899-L902 VanDerWaalsContact O-N 3.14Å; V899-F903 HydrophobicContact CG1-CD2 4.11Å; V899-F903 HydrophobicContact CG1-CE2 3.47Å; V899-F903 VanDerWaalsContact CG1-CE2 3.47Å; V899-F903 HydrophobicContact CG1-CZ 4.08Å; V899-F903 VanDerWaalsContact O-CD2 3.23Å; V899-F903 WeakPolarHBondContact O-CD2 3.38Å; V899-F903 PolarHBondContact O-N 3Å; V899-V930 HydrophobicContact CG2-CG1 4.26Å; V899-V930 HydrophobicContact CG2-CG2 4.29Å; V899-L933 HydrophobicContact CG1-CD2 4.14Å; V899-M934 HydrophobicContact CG1-CE 3.47Å; V899-M934 VanDerWaalsContact CG1-CE 3.47Å; V899-M934 HydrophobicContact CG2-CE 4.3Å
900I89.3Confident88.9Confident21 Ų2122 Ų2211%0.10811%0.112CC..Hα-helixtrans-59.4-43.6173.7-61.5-58000110.5Y852 F896 Y897 D898 L902 F903 E904 W908 L933Y852-I900 HydrophobicContact CD1-CD1 4.43Å; Y852-I900 HydrophobicContact CE1-CD1 3.93Å; F896-I900 HydrophobicContact CD1-CG1 4.4Å; F896-I900 HydrophobicContact CE1-CD1 4.35Å; F896-I900 HydrophobicContact CE1-CG1 4.04Å; F896-I900 HydrophobicContact CE2-CD1 4.34Å; F896-I900 HydrophobicContact CZ-CD1 3.98Å; F896-I900 HydrophobicContact CZ-CG1 4.16Å; F896-I900 WeakPolarHBondContact O-CG1 3.32Å; F896-I900 PolarHBondContact O-N 2.78Å; Y897-I900 WeakPolarHBondContact O-CB 3.32Å; Y897-I900 PolarHBondContact O-N 3.25Å; D898-I900 VanDerWaalsContact C-N 3.34Å; D898-I900 PolarHBondContact O-N 2.86Å; I900-L902 VanDerWaalsContact C-N 3.31Å; I900-L902 PolarHBondContact O-N 3.05Å; I900-F903 PolarHBondContact O-N 2.8Å; I900-F903 VanDerWaalsContact O-N 3.12Å; I900-E904 HydrophobicContact CG2-CG 4.41Å; I900-E904 WeakPolarHBondContact O-CG 3.5Å; I900-E904 PolarHBondContact O-N 3.49Å; I900-W908 HydrophobicContact CB-CH2 4.45Å; I900-W908 HydrophobicContact CD1-CH2 3.81Å; I900-W908 HydrophobicContact CD1-CZ3 4.41Å; I900-W908 HydrophobicContact CG2-CH2 3.95Å; I900-W908 HydrophobicContact CG2-CZ2 4.13Å; I900-L933 HydrophobicContact CD1-CD2 4.05Å
901R88.1Confident88.3Confident5 Ų530.1 Ų30.12%0.01915%0.147CC..Hα-helixtrans-60.7-38.3175.4-67.1168.971.9-158.10.1111.9Y897 D898 V899 F903 E904 H905 L1123 N1124Y897-R901 WeakPolarHBondContact O-CG 3.28Å; Y897-R901 PolarHBondContact O-N 2.81Å; D898-R901 CarbonylContact O-C 3.44Å; D898-R901 WeakPolarHBondContact O-CA 3.44Å; D898-R901 WeakPolarHBondContact O-CB 3.23Å; D898-R901 PolarHBondContact O-N 2.86Å; D898-R901 VanDerWaalsContact O-N 3.12Å; D898-R901 WeakPolarHBondContact OD1-CD 3.41Å; D898-R901 IonicContact OD1-CZ 3.24Å; D898-R901 IonicContact OD1-NH1 3.96Å; D898-R901 PolarHBondContact OD1-NH1 2.91Å; V899-R901 VanDerWaalsContact C-N 3.3Å; V899-R901 PolarHBondContact O-N 2.9Å; R901-F903 VanDerWaalsContact C-N 3.26Å; R901-F903 PolarHBondContact O-N 2.96Å; R901-E904 PolarHBondContact O-N 3.43Å; R901-H905 PolarHBondContact O-N 2.92Å; R901-H905 PolarHBondContact O-ND1 3.03Å; R901-L1123 HydrophobicContact CB-CD1 4.02Å; R901-L1123 HydrophobicContact CB-CD2 3.85Å; R901-N1124 PolarHBondContact NH1-O 3.02Å; R901-N1124 VanDerWaalsContact NH1-O 3.13Å; R901-N1124 PolarHBondContact NH2-O 3.26Å
902L90.8Very high88Confident0 Ų035.7 Ų35.70%017%0.168CC..Hα-helixtrans-57.8-42175.6-63.9172.3000111.3T892 D898 V899 I900 H905 G906 F916 M1109 L1123T892-L902 HydrophobicContact CG2-CD1 4.41Å; D898-L902 WeakPolarHBondContact O-CG 3.41Å; D898-L902 PolarHBondContact O-N 3.41Å; V899-L902 WeakPolarHBondContact O-CB 3.3Å; V899-L902 PolarHBondContact O-N 3.19Å; V899-L902 VanDerWaalsContact O-N 3.14Å; I900-L902 VanDerWaalsContact C-N 3.31Å; I900-L902 PolarHBondContact O-N 3.05Å; L902-H905 PolarHBondContact O-N 2.89Å; L902-G906 PolarHBondContact O-N 3.47Å; L902-F916 HydrophobicContact CD1-CE1 4.27Å; L902-M1109 HydrophobicContact CB-CE 4.24Å; L902-M1109 HydrophobicContact CD2-CB 4.47Å; L902-M1109 HydrophobicContact CD2-CE 3.63Å; L902-M1109 HydrophobicContact CD2-CG 4.42Å; L902-M1109 HydrophobicContact CD2-SD 4.13Å; L902-L1123 HydrophobicContact CD2-CD2 4.18Å
903F90.7Very high88Confident0 Ų038.4 Ų38.40%018%0.178CC..Hα-helixtrans-74.3-34.7178.5-61.7-49.4000113.7V899 I900 R901 H905 G907 W908 P909 Y914 F916 L933 M934 F937 F945V899-F903 HydrophobicContact CG1-CD2 4.11Å; V899-F903 HydrophobicContact CG1-CE2 3.47Å; V899-F903 VanDerWaalsContact CG1-CE2 3.47Å; V899-F903 HydrophobicContact CG1-CZ 4.08Å; V899-F903 VanDerWaalsContact O-CD2 3.23Å; V899-F903 WeakPolarHBondContact O-CD2 3.38Å; V899-F903 PolarHBondContact O-N 3Å; I900-F903 PolarHBondContact O-N 2.8Å; I900-F903 VanDerWaalsContact O-N 3.12Å; R901-F903 VanDerWaalsContact C-N 3.26Å; R901-F903 PolarHBondContact O-N 2.96Å; F903-H905 PolarHBondContact O-N 2.97Å; F903-G907 CarbonylContact O-C 3.47Å; F903-G907 VanDerWaalsContact O-C 3.23Å; F903-G907 WeakPolarHBondContact O-CA 3.35Å; F903-G907 PolarHBondContact O-N 3.49Å; F903-W908 HydrophobicContact CB-CD2 3.73Å; F903-W908 HydrophobicContact CB-CE3 3.39Å; F903-W908 HydrophobicContact CB-CH2 3.47Å; F903-W908 VanDerWaalsContact CB-CH2 3.47Å; F903-W908 HydrophobicContact CB-CZ2 3.86Å; F903-W908 HydrophobicContact CB-CZ3 3.19Å; F903-W908 AromaticContact CD2-CE3 3.96Å; F903-W908 HydrophobicContact CD2-CE3 3.96Å; F903-W908 AromaticContact CD2-CH2 3.76Å; F903-W908 HydrophobicContact CD2-CH2 3.76Å; F903-W908 AromaticContact CD2-CZ3 3.17Å; F903-W908 HydrophobicContact CD2-CZ3 3.17Å; F903-W908 HydrophobicContact CE2-CZ3 4.15Å; F903-W908 AromaticContact CG-CE3 3.77Å; F903-W908 HydrophobicContact CG-CE3 3.77Å; F903-W908 HydrophobicContact CG-CH2 4.04Å; F903-W908 AromaticContact CG-CZ3 3.41Å; F903-W908 HydrophobicContact CG-CZ3 3.41Å; F903-W908 VanDerWaalsContact CG-CZ3 3.41Å; F903-P909 HydrophobicContact CD1-CG 4.35Å; F903-P909 HydrophobicContact CE1-CG 4.18Å; F903-Y914 HydrophobicContact CD1-CD1 4.4Å; F903-Y914 HydrophobicContact CD1-CD2 4.42Å; F903-Y914 AromaticContact CD1-CE1 3.91Å; F903-Y914 HydrophobicContact CD1-CE1 3.91Å; F903-Y914 AromaticContact CD1-CE2 3.91Å; F903-Y914 HydrophobicContact CD1-CE2 3.91Å; F903-Y914 AromaticContact CD1-CZ 3.64Å; F903-Y914 HydrophobicContact CE1-CD1 4.05Å; F903-Y914 HydrophobicContact CE1-CD2 4.22Å; F903-Y914 HydrophobicContact CE1-CE1 4.02Å; F903-Y914 HydrophobicContact CE1-CE2 4.17Å; F903-Y914 HydrophobicContact CE1-CG 4.15Å; F903-F916 HydrophobicContact CE1-CE2 4.02Å; F903-F916 AromaticContact CE1-CZ 3.92Å; F903-F916 HydrophobicContact CE1-CZ 3.92Å; F903-F916 HydrophobicContact CZ-CE2 4.05Å; F903-F916 AromaticContact CZ-CZ 3.82Å; F903-F916 HydrophobicContact CZ-CZ 3.82Å; F903-L933 HydrophobicContact CE2-CD2 3.94Å; F903-M934 HydrophobicContact CZ-CE 4.4Å; F903-F937 HydrophobicContact CD2-CE2 4.43Å; F903-F937 HydrophobicContact CE2-CD2 4.41Å; F903-F937 AromaticContact CE2-CE2 3.8Å; F903-F937 HydrophobicContact CE2-CE2 3.8Å; F903-F937 HydrophobicContact CZ-CD2 4.25Å; F903-F937 HydrophobicContact CZ-CE2 4.03Å; F903-F945 AromaticContact CE1-CE2 3.83Å; F903-F945 HydrophobicContact CE1-CE2 3.83Å; F903-F945 HydrophobicContact CE1-CZ 4.34Å; F903-F945 AromaticContact CZ-CE2 3.83Å; F903-F945 HydrophobicContact CZ-CE2 3.83Å; F903-F945 AromaticContact CZ-CZ 3.95Å; F903-F945 HydrophobicContact CZ-CZ 3.95Å
904E84.8Confident88.2Confident75 Ų7538.2 Ų38.235%0.3518%0.178SC..Hα-helixtrans-60.8-36.8172.1-71174.2158.900111.6I900 R901 W908I900-E904 HydrophobicContact CG2-CG 4.41Å; I900-E904 WeakPolarHBondContact O-CG 3.5Å; I900-E904 PolarHBondContact O-N 3.49Å; R901-E904 PolarHBondContact O-N 3.43Å; E904-W908 HydrophobicContact CG-CZ2 4.12Å
905H82.7Confident88.5Confident51 Ų5138.1 Ų38.124%0.23618%0.177CC..Hα-helixtrans-82-48.1179.8-71.774.6000112.7R901 L902 F903 M1109R901-H905 PolarHBondContact O-N 2.92Å; R901-H905 PolarHBondContact O-ND1 3.03Å; L902-H905 PolarHBondContact O-N 2.89Å; F903-H905 PolarHBondContact O-N 2.97Å; H905-M1109 HydrophobicContact CB-CE 3.62Å
906G82.7Confident89Confident5 Ų536.7 Ų36.75%0.05217%0.17CC..Hα-helixtrans-79-25.6-177.200000113.8W887 L902 R912 Y914W887-G906 PolarHBondContact NE1-O 2.83Å; W887-G906 VanDerWaalsContact NE1-O 3.14Å; L902-G906 PolarHBondContact O-N 3.47Å; G906-R912 VanDerWaalsContact O-CG 3.3Å; G906-R912 WeakPolarHBondContact O-CG 3.44Å; G906-R912 PolarHBondContact O-NE 2.97Å; G906-Y914 VanDerWaalsContact C-OH 3.26Å; G906-Y914 VanDerWaalsContact CA-OH 3.27Å; G906-Y914 WeakPolarHBondContact CA-OH 3.3Å
907G86.9Confident89.3Confident22 Ų2236.4 Ų36.423%0.22717%0.169CC..  trans102.6140.9-174.700000112.7F903 Y914F903-G907 CarbonylContact O-C 3.47Å; F903-G907 VanDerWaalsContact O-C 3.23Å; F903-G907 WeakPolarHBondContact O-CA 3.35Å; F903-G907 PolarHBondContact O-N 3.49Å; G907-Y914 PolarHBondContact N-OH 3.15Å; G907-Y914 WeakPolarHBondContact O-CE2 3.13Å; G907-Y914 PolarHBondContact O-OH 2.88Å
908W86.3Confident89.8Confident65 Ų6532.8 Ų32.825%0.24616%0.155CC..  trans-66.7141.5-173.9-69.399.1000115.1Y852 I900 F903 E904 K911 F937Y852-W908 AromaticContact CE1-CH2 3.42Å; Y852-W908 HydrophobicContact CE1-CH2 3.42Å; Y852-W908 VanDerWaalsContact CE1-CH2 3.42Å; Y852-W908 AromaticContact CE1-CZ2 3.71Å; Y852-W908 HydrophobicContact CE1-CZ2 3.71Å; Y852-W908 HydrophobicContact CE1-CZ3 4.08Å; Y852-W908 AromaticContact CZ-CH2 3.47Å; Y852-W908 VanDerWaalsContact CZ-CH2 3.47Å; Y852-W908 AromaticContact CZ-CZ2 3.94Å; Y852-W908 AromaticContact CZ-CZ3 3.62Å; Y852-W908 WeakPolarHBondContact OH-CH2 3.17Å; Y852-W908 WeakPolarHBondContact OH-CZ2 3.34Å; Y852-W908 WeakPolarHBondContact OH-CZ3 3.44Å; I900-W908 HydrophobicContact CB-CH2 4.45Å; I900-W908 HydrophobicContact CD1-CH2 3.81Å; I900-W908 HydrophobicContact CD1-CZ3 4.41Å; I900-W908 HydrophobicContact CG2-CH2 3.95Å; I900-W908 HydrophobicContact CG2-CZ2 4.13Å; F903-W908 HydrophobicContact CB-CD2 3.73Å; F903-W908 HydrophobicContact CB-CE3 3.39Å; F903-W908 HydrophobicContact CB-CH2 3.47Å; F903-W908 VanDerWaalsContact CB-CH2 3.47Å; F903-W908 HydrophobicContact CB-CZ2 3.86Å; F903-W908 HydrophobicContact CB-CZ3 3.19Å; F903-W908 AromaticContact CD2-CE3 3.96Å; F903-W908 HydrophobicContact CD2-CE3 3.96Å; F903-W908 AromaticContact CD2-CH2 3.76Å; F903-W908 HydrophobicContact CD2-CH2 3.76Å; F903-W908 AromaticContact CD2-CZ3 3.17Å; F903-W908 HydrophobicContact CD2-CZ3 3.17Å; F903-W908 HydrophobicContact CE2-CZ3 4.15Å; F903-W908 AromaticContact CG-CE3 3.77Å; F903-W908 HydrophobicContact CG-CE3 3.77Å; F903-W908 HydrophobicContact CG-CH2 4.04Å; F903-W908 AromaticContact CG-CZ3 3.41Å; F903-W908 HydrophobicContact CG-CZ3 3.41Å; F903-W908 VanDerWaalsContact CG-CZ3 3.41Å; E904-W908 HydrophobicContact CG-CZ2 4.12Å; W908-K911 WeakPolarHBondContact O-CB 3.45Å; W908-K911 PolarHBondContact O-N 3.02Å; W908-F937 HydrophobicContact CE3-CZ 4.25Å; W908-F937 HydrophobicContact CZ3-CZ 4.3Å
909P85.3Confident90.2Very high11 Ų1131.7 Ų31.77%0.07115%0.149CC..THydrogen-bonded Turntrans-58142.1164.3-20.331.5000111.4F903 Y914 F937 Y941 F945F903-P909 HydrophobicContact CD1-CG 4.35Å; F903-P909 HydrophobicContact CE1-CG 4.18Å; P909-Y914 HydrophobicContact CG-CD2 3.89Å; P909-Y914 HydrophobicContact CG-CE2 4.11Å; P909-F937 HydrophobicContact CB-CD1 4.23Å; P909-F937 HydrophobicContact CB-CE1 4.34Å; P909-F937 HydrophobicContact CG-CD1 4.43Å; P909-F937 HydrophobicContact CG-CD2 4.49Å; P909-F937 HydrophobicContact CG-CE1 4.4Å; P909-F937 HydrophobicContact CG-CE2 4.45Å; P909-F937 HydrophobicContact CG-CG 4.49Å; P909-F937 HydrophobicContact CG-CZ 4.41Å; P909-Y941 HydrophobicContact CB-CD2 3.97Å; P909-Y941 HydrophobicContact CB-CE2 4.24Å; P909-F945 HydrophobicContact CB-CD2 4.11Å; P909-F945 HydrophobicContact CG-CD2 3.67Å; P909-F945 HydrophobicContact CG-CE2 3.75Å
910P81.8Confident90.4Very high60 Ų6031.6 Ų31.639%0.3915%0.148SC..THydrogen-bonded Turncis-91.54.94.936.3-32.7000113.6R912 Y941P910-R912 PolarHBondContact O-N 3.32Å; P910-Y941 HydrophobicContact CB-CD1 3.61Å; P910-Y941 HydrophobicContact CB-CD2 4.26Å; P910-Y941 HydrophobicContact CB-CE1 3.77Å; P910-Y941 HydrophobicContact CB-CE2 4.41Å; P910-Y941 HydrophobicContact CB-CG 3.88Å; P910-Y941 HydrophobicContact CG-CD1 3.96Å; P910-Y941 HydrophobicContact CG-CE1 3.56Å; P910-Y941 HydrophobicContact CG-CE2 4.46Å
911K85.8Confident90.7Very high171 Ų17130.6 Ų30.674%0.74314%0.143SC*.SBendtrans-60.8-21.7-177.5-62.8-178177.5177.90112.6W908W908-K911 WeakPolarHBondContact O-CB 3.45Å; W908-K911 PolarHBondContact O-N 3.02Å
912R90.2Very high90.9Very high118 Ų11830.4 Ų30.445%0.44514%0.142SC..SBendtrans-135140.2179.5-61.6-70.2-167.2-160.6-0.5108.7G906 P910 Y914G906-R912 VanDerWaalsContact O-CG 3.3Å; G906-R912 WeakPolarHBondContact O-CG 3.44Å; G906-R912 PolarHBondContact O-NE 2.97Å; P910-R912 PolarHBondContact O-N 3.32Å; R912-Y914 HydrophobicContact CB-CD2 4.37Å; R912-Y914 HydrophobicContact CB-CE2 3.74Å; R912-Y914 WeakPolarHBondContact O-CD2 3.13Å
913R94.6Very high90.8Very high58 Ų5835.6 Ų35.622%0.21916%0.162CC..  trans-85.5136.6176.4-177.1175.2-68.7145.76.7110.1V882 S883 V886 W887 D944 Y946V882-R913 HydrophobicContact CG1-CG 4.45Å; S883-R913 WeakPolarHBondContact O-CD 3.39Å; S883-R913 PolarHBondContact O-NH1 3.48Å; V886-R913 HydrophobicContact CB-CB 4.46Å; V886-R913 HydrophobicContact CB-CG 4.24Å; V886-R913 HydrophobicContact CG2-CB 4.41Å; V886-R913 HydrophobicContact CG2-CG 3.94Å; W887-R913 PolarHBondContact N-O 3.06Å; R913-D944 CarbonylContact C-O 3.59Å; R913-D944 WeakPolarHBondContact CA-O 3.49Å; R913-D944 WeakPolarHBondContact CG-O 2.7Å; R913-D944 IonicContact CZ-OD1 3.54Å; R913-D944 IonicContact NE-OD1 3.53Å; R913-D944 PolarHBondContact NE-OD1 2.85Å; R913-D944 VanDerWaalsContact NE-OD1 3.09Å; R913-D944 IonicContact NH2-OD1 3.16Å; R913-D944 PolarHBondContact NH2-OD1 2.77Å; R913-Y946 HydrophobicContact CG-CD2 4.24Å; R913-Y946 HydrophobicContact CG-CE2 3.96Å
914Y96.7Very high90.4Very high0 Ų036.6 Ų36.60%017%0.172CC..EExtended strand (participates in β ladder)trans-125.2143.7-180-77.4-93.1000111.9W887 F903 G906 G907 P909 R912 F916 D944 F945 Y946W887-Y914 HydrophobicContact CB-CD1 3.61Å; W887-Y914 HydrophobicContact CB-CE1 3.56Å; W887-Y914 HydrophobicContact CB-CG 4.28Å; W887-Y914 HydrophobicContact CG-CE1 4.03Å; W887-Y914 CarbonylContact O-C 3.36Å; W887-Y914 WeakPolarHBondContact O-CA 3.37Å; F903-Y914 HydrophobicContact CD1-CD1 4.4Å; F903-Y914 HydrophobicContact CD1-CD2 4.42Å; F903-Y914 AromaticContact CD1-CE1 3.91Å; F903-Y914 HydrophobicContact CD1-CE1 3.91Å; F903-Y914 AromaticContact CD1-CE2 3.91Å; F903-Y914 HydrophobicContact CD1-CE2 3.91Å; F903-Y914 AromaticContact CD1-CZ 3.64Å; F903-Y914 HydrophobicContact CE1-CD1 4.05Å; F903-Y914 HydrophobicContact CE1-CD2 4.22Å; F903-Y914 HydrophobicContact CE1-CE1 4.02Å; F903-Y914 HydrophobicContact CE1-CE2 4.17Å; F903-Y914 HydrophobicContact CE1-CG 4.15Å; G906-Y914 VanDerWaalsContact C-OH 3.26Å; G906-Y914 VanDerWaalsContact CA-OH 3.27Å; G906-Y914 WeakPolarHBondContact CA-OH 3.3Å; G907-Y914 PolarHBondContact N-OH 3.15Å; G907-Y914 WeakPolarHBondContact O-CE2 3.13Å; G907-Y914 PolarHBondContact O-OH 2.88Å; P909-Y914 HydrophobicContact CG-CD2 3.89Å; P909-Y914 HydrophobicContact CG-CE2 4.11Å; R912-Y914 HydrophobicContact CB-CD2 4.37Å; R912-Y914 HydrophobicContact CB-CE2 3.74Å; R912-Y914 WeakPolarHBondContact O-CD2 3.13Å; Y914-F916 HydrophobicContact CD1-CE2 4.04Å; Y914-F916 HydrophobicContact CD1-CZ 4.48Å; Y914-F916 HydrophobicContact CG-CE2 4.3Å; Y914-D944 PolarHBondContact N-O 2.78Å; Y914-F945 HydrophobicContact CD2-CE2 4.49Å; Y914-F945 HydrophobicContact CG-CE2 4.29Å; Y914-Y946 PolarHBondContact O-N 2.87Å
915L97.3Very high90.4Very high0 Ų039.5 Ų39.50%018%0.18CC..EExtended strand (participates in β ladder)trans-127.6115169172.663.4000108.5V886 W887 I888 C889 L917 Y946 L948 A990 V992 C998V886-L915 HydrophobicContact CG2-CB 3.99Å; W887-L915 PolarHBondContact O-N 3.31Å; I888-L915 CarbonylContact C-O 3.44Å; I888-L915 VanDerWaalsContact CA-O 3.29Å; I888-L915 WeakPolarHBondContact CA-O 3.47Å; I888-L915 HydrophobicContact CD1-CD2 4.3Å; I888-L915 HydrophobicContact CG1-CB 4.48Å; I888-L915 HydrophobicContact CG1-CD2 4.41Å; I888-L915 HydrophobicContact CG2-CD2 4.43Å; C889-L915 PolarHBondContact N-O 2.89Å; L915-L917 HydrophobicContact CD2-CD2 4.26Å; L915-L917 HydrophobicContact CG-CD2 4.18Å; L915-Y946 CarbonylContact C-O 3.54Å; L915-Y946 WeakPolarHBondContact CA-O 3.42Å; L915-L948 HydrophobicContact CD1-CD1 4.25Å; L915-L948 HydrophobicContact CD1-CD2 4.41Å; L915-L948 HydrophobicContact CD1-CG 3.99Å; L915-A990 HydrophobicContact CD1-CB 3.79Å; L915-A990 HydrophobicContact CD2-CB 3.76Å; L915-A990 HydrophobicContact CG-CB 4.45Å; L915-V992 HydrophobicContact CD2-CG2 3.84Å; L915-C998 HydrophobicContact CD2-CB 3.84Å
916F97.8Very high90.8Very high0 Ų037.5 Ų37.50%017%0.171CC..EExtended strand (participates in β ladder)trans-99.4138.3171.7-72.3-104.7000111.2C889 T892 L902 F903 Y914 Y920 M934 F945 Y946 I947 L948C889-F916 HydrophobicContact CB-CD1 3.46Å; C889-F916 VanDerWaalsContact CB-CD1 3.46Å; C889-F916 HydrophobicContact CB-CD2 4.42Å; C889-F916 HydrophobicContact CB-CE1 3.44Å; C889-F916 VanDerWaalsContact CB-CE1 3.44Å; C889-F916 HydrophobicContact CB-CE2 4.39Å; C889-F916 HydrophobicContact CB-CG 3.97Å; C889-F916 HydrophobicContact CB-CZ 3.93Å; C889-F916 WeakPolarHBondContact O-CA 3.27Å; T892-F916 HydrophobicContact CG2-CD1 4.21Å; T892-F916 HydrophobicContact CG2-CE1 4.02Å; L902-F916 HydrophobicContact CD1-CE1 4.27Å; F903-F916 HydrophobicContact CE1-CE2 4.02Å; F903-F916 AromaticContact CE1-CZ 3.92Å; F903-F916 HydrophobicContact CE1-CZ 3.92Å; F903-F916 HydrophobicContact CZ-CE2 4.05Å; F903-F916 AromaticContact CZ-CZ 3.82Å; F903-F916 HydrophobicContact CZ-CZ 3.82Å; Y914-F916 HydrophobicContact CD1-CE2 4.04Å; Y914-F916 HydrophobicContact CD1-CZ 4.48Å; Y914-F916 HydrophobicContact CG-CE2 4.3Å; F916-Y920 HydrophobicContact CB-CE1 3.58Å; F916-Y920 HydrophobicContact CD1-CE1 4.25Å; F916-Y920 HydrophobicContact CG-CE1 4.17Å; F916-Y920 PolarHBondContact O-OH 2.84Å; F916-M934 HydrophobicContact CD1-CE 4.14Å; F916-M934 HydrophobicContact CD1-SD 4.31Å; F916-M934 HydrophobicContact CD2-SD 4.02Å; F916-M934 HydrophobicContact CE1-CE 3.7Å; F916-M934 HydrophobicContact CE1-SD 4.29Å; F916-M934 HydrophobicContact CE2-CE 4.22Å; F916-M934 HydrophobicContact CE2-SD 4Å; F916-M934 HydrophobicContact CG-SD 4.19Å; F916-M934 HydrophobicContact CZ-CE 3.75Å; F916-M934 HydrophobicContact CZ-SD 4.14Å; F916-F945 HydrophobicContact CD2-CE1 4.31Å; F916-F945 HydrophobicContact CD2-CE2 4.5Å; F916-F945 AromaticContact CD2-CZ 3.88Å; F916-F945 HydrophobicContact CD2-CZ 3.88Å; F916-F945 HydrophobicContact CE2-CE1 4.39Å; F916-F945 AromaticContact CE2-CE2 3.93Å; F916-F945 HydrophobicContact CE2-CE2 3.93Å; F916-F945 AromaticContact CE2-CZ 3.54Å; F916-F945 HydrophobicContact CE2-CZ 3.54Å; F916-F945 HydrophobicContact CZ-CZ 4.48Å; F916-Y946 PolarHBondContact N-O 3.39Å; F916-I947 HydrophobicContact CB-CG2 4.3Å; F916-L948 PolarHBondContact O-N 3.33Å
917L97.7Very high91.3Very high0 Ų037.3 Ų37.30%017%0.169CC..  trans-90.7-16-169-61-176.5000115.2I888 C889 L915 L948 C998 H1000 A1074I888-L917 HydrophobicContact CG2-CD1 3.84Å; I888-L917 HydrophobicContact CG2-CD2 3.85Å; I888-L917 HydrophobicContact CG2-CG 3.84Å; C889-L917 WeakPolarHBondContact O-CG 3.05Å; C889-L917 PolarHBondContact O-N 2.8Å; L915-L917 HydrophobicContact CD2-CD2 4.26Å; L915-L917 HydrophobicContact CG-CD2 4.18Å; L917-L948 HydrophobicContact CD2-CD1 3.94Å; L917-C998 HydrophobicContact CD2-CB 3.68Å; L917-H1000 WeakPolarHBondContact O-CA 3.32Å; L917-H1000 VanDerWaalsContact O-CB 3.31Å; L917-H1000 WeakPolarHBondContact O-CB 3.37Å; L917-A1074 HydrophobicContact CB-CB 3.78Å; L917-A1074 HydrophobicContact CD1-CB 4.08Å
918G95.7Very high91.6Very high0 Ų036.4 Ų36.40%016%0.158CC..SBendtrans144.3-175.9178.900000113.2
919D97Very high91.9Very high2 Ų234.8 Ų34.81%0.01115%0.154CC..  trans53.366.6173.4-74.35.5000113.8D891 T892 H893 G950 N951 H952 E953 H1000D891-D919 HydrophobicContact CB-CB 4.03Å; T892-D919 PolarHBondContact N-O 3.26Å; T892-D919 PolarHBondContact OG1-O 2.99Å; H893-D919 IonicContact CE1-OD2 2.92Å; H893-D919 PolarHBondContact CE1-OD2 3.04Å; H893-D919 PolarHBondContact N-O 2.62Å; H893-D919 IonicContact NE2-OD2 2.74Å; D919-G950 WeakPolarHBondContact OD1-CA 3.42Å; D919-N951 PolarHBondContact OD1-N 3.37Å; D919-N951 PolarHBondContact OD1-OD1 3.22Å; D919-N951 PolarHBondContact OD2-OD1 3.43Å; D919-H952 HydrophobicContact CB-CB 4.37Å; D919-H952 VanDerWaalsContact CG-CD2 3.43Å; D919-H952 WeakPolarHBondContact OD1-CB 3.36Å; D919-H952 IonicContact OD1-CD2 3.75Å; D919-H952 PolarHBondContact OD1-CD2 2.71Å; D919-H952 IonicContact OD1-CG 3.5Å; D919-H952 PolarHBondContact OD1-N 3.28Å; D919-H952 IonicContact OD2-CD2 3.94Å; D919-H952 PolarHBondContact OD2-CD2 3.44Å; D919-H952 IonicContact OD2-CG 3.72Å; D919-E953 WeakPolarHBondContact CA-OE1 3.49Å; D919-E953 PolarHBondContact N-OE2 3.46Å; D919-H1000 IonicContact OD1-CD2 3.58Å; D919-H1000 IonicContact OD1-CE1 2.84Å; D919-H1000 PolarHBondContact OD1-CE1 3.5Å; D919-H1000 IonicContact OD1-NE2 3.86Å; D919-H1000 PolarHBondContact OD1-NE2 3.24Å; D919-H1000 VanDerWaalsContact OD1-NE2 3.07Å; D919-H1000 IonicContact OD2-CE1 2.93Å; D919-H1000 PolarHBondContact OD2-CE1 3.48Å; D919-H1000 IonicContact OD2-NE2 3.86Å; D919-H1000 PolarHBondContact OD2-NE2 3.29Å
920Y96.5Very high92.3Very high0 Ų034.2 Ų34.20%015%0.15CC..  trans-87.6-29.5177.3-48.9-70.4000112.6G894 F916 I931 M934 I947 L948 E953G894-Y920 PolarHBondContact N-O 3.19Å; F916-Y920 HydrophobicContact CB-CE1 3.58Å; F916-Y920 HydrophobicContact CD1-CE1 4.25Å; F916-Y920 HydrophobicContact CG-CE1 4.17Å; F916-Y920 PolarHBondContact O-OH 2.84Å; Y920-I931 HydrophobicContact CD2-CD1 3.71Å; Y920-I931 HydrophobicContact CG-CD1 3.93Å; Y920-M934 HydrophobicContact CD1-CG 3.93Å; Y920-M934 HydrophobicContact CE1-CG 4.21Å; Y920-I947 WeakPolarHBondContact OH-CB 3.27Å; Y920-L948 WeakPolarHBondContact CE2-O 3.18Å; Y920-L948 PolarHBondContact OH-N 3.47Å; Y920-L948 VanDerWaalsContact OH-N 3.14Å; Y920-L948 PolarHBondContact OH-O 2.74Å; Y920-E953 HydrophobicContact CD2-CG 3.96Å; Y920-E953 WeakPolarHBondContact CD2-OE1 3.36Å; Y920-E953 HydrophobicContact CE2-CG 4.43Å; Y920-E953 PolarHBondContact N-OE1 2.8Å
921V95.5Very high92.9Very high0 Ų031.4 Ų31.40%013%0.132CC..SBendtrans-109.3171.1-172.4-57.90000111.9H893 I931 H952 E953 N958 F963 F983H893-V921 PolarHBondContact ND1-O 3.08Å; V921-I931 HydrophobicContact CG1-CB 4.02Å; V921-I931 HydrophobicContact CG1-CG1 4.48Å; V921-I931 HydrophobicContact CG1-CG2 4.26Å; V921-H952 HydrophobicContact CG2-CB 4.21Å; V921-E953 PolarHBondContact N-OE1 3.22Å; V921-N958 HydrophobicContact CG2-CB 4.22Å; V921-F963 HydrophobicContact CB-CB 4.06Å; V921-F963 HydrophobicContact CB-CD1 4.4Å; V921-F963 HydrophobicContact CB-CD2 3.89Å; V921-F963 HydrophobicContact CB-CE2 4.38Å; V921-F963 HydrophobicContact CB-CG 3.87Å; V921-F963 HydrophobicContact CG1-CD1 4.41Å; V921-F963 HydrophobicContact CG1-CD2 3.82Å; V921-F963 HydrophobicContact CG1-CE1 4.41Å; V921-F963 HydrophobicContact CG1-CE2 3.79Å; V921-F963 HydrophobicContact CG1-CG 4.12Å; V921-F963 HydrophobicContact CG1-CZ 4.1Å; V921-F963 HydrophobicContact CG2-CB 4.23Å; V921-F963 HydrophobicContact CG2-CD1 4.33Å; V921-F963 HydrophobicContact CG2-CG 4.17Å; V921-F983 HydrophobicContact CG1-CZ 3.97Å; V921-F983 HydrophobicContact CG2-CZ 4.46Å
922D93Very high93.3Very high0 Ų023.2 Ų23.20%010%0.096CC..SBendtrans68.2166.5-177-58.8-43.4000114.2H893 G924 S927 H952 N958 Y961 G962 F963H893-D922 CarbonylContact C-O 3.5Å; H893-D922 WeakPolarHBondContact CA-O 3.47Å; H893-D922 WeakPolarHBondContact CB-O 3.3Å; H893-D922 VanDerWaalsContact O-O 3.05Å; D922-G924 PolarHBondContact O-N 3Å; D922-S927 PolarHBondContact N-OG 3.5Å; D922-S927 VanDerWaalsContact N-OG 3.15Å; D922-H952 VanDerWaalsContact CB-ND1 3.34Å; D922-H952 WeakPolarHBondContact CB-ND1 3.25Å; D922-H952 IonicContact OD2-CE1 3.77Å; D922-H952 IonicContact OD2-CG 3.91Å; D922-H952 IonicContact OD2-ND1 3.59Å; D922-H952 PolarHBondContact OD2-ND1 2.84Å; D922-N958 WeakPolarHBondContact OD1-CA 3.48Å; D922-N958 WeakPolarHBondContact OD2-CA 3.17Å; D922-Y961 WeakPolarHBondContact CB-O 3.27Å; D922-Y961 VanDerWaalsContact OD1-C 3.26Å; D922-G962 PolarHBondContact OD1-N 3.48Å; D922-F963 WeakPolarHBondContact OD1-CB 3.44Å; D922-F963 PolarHBondContact OD1-N 3.48Å
923R87.3Confident93.4Very high109 Ų10917.7 Ų17.741%0.4118%0.076SC..SBendtrans65.8-40.5175.1-51.6-73.3-167.1127.81.9115.7H893 Y961 Y1099H893-R923 HydrophobicContact CB-CB 4.14Å; R923-Y961 PolarHBondContact N-O 2.81Å; R923-Y1099 HydrophobicContact CB-CE2 4.01Å; R923-Y1099 HydrophobicContact CG-CE2 4.25Å; R923-Y1099 WeakPolarHBondContact CG-OH 3.22Å
924G83.7Confident93.5Very high21 Ų2115 Ų1522%0.2167%0.065CC..SBendtrans-87.6171.9169.600000113.1H893 D922H893-G924 WeakPolarHBondContact O-CA 3.35Å; H893-G924 PolarHBondContact O-N 3.19Å; D922-G924 PolarHBondContact O-N 3Å
925R83.9Confident93.4Very high136 Ų13615 Ų1551%0.5137%0.065SC..SBendtrans-91.3-11-175.1-60.8-179179.7174.90.3114.3Q31Q31-R925 VanDerWaalsContact OE1-CD 3.23Å
926H90.3Very high93.1Very high10 Ų1015 Ų155%0.0467%0.066CC..  trans-124.444.9-172.5-65-69.6000112.4Q31 G894 F896 Y897 I928 E929 V930Q31-H926 VanDerWaalsContact CB-CE1 3.48Å; Q31-H926 WeakPolarHBondContact CB-CE1 3.38Å; Q31-H926 WeakPolarHBondContact CG-CE1 3.32Å; Q31-H926 WeakPolarHBondContact CG-NE2 3.3Å; Q31-H926 PolarHBondContact NE2-CD2 3.36Å; Q31-H926 PolarHBondContact NE2-NE2 3.4Å; Q31-H926 PolarHBondContact OE1-NE2 3.31Å; G894-H926 WeakPolarHBondContact O-CA 3.24Å; G894-H926 WeakPolarHBondContact O-CB 3.37Å; G894-H926 PolarHBondContact O-N 3.41Å; G894-H926 VanDerWaalsContact O-N 3.08Å; F896-H926 HydrophobicContact CB-CB 3.6Å; Y897-H926 AromaticContact CE2-CD2 3.75Å; Y897-H926 AromaticContact CE2-NE2 3.28Å; Y897-H926 VanDerWaalsContact CE2-NE2 3.28Å; Y897-H926 WeakPolarHBondContact CE2-NE2 3.38Å; Y897-H926 AromaticContact CZ-NE2 3.94Å; H926-I928 VanDerWaalsContact C-N 3.29Å; H926-I928 PolarHBondContact O-N 3.37Å; H926-E929 VanDerWaalsContact CA-OE2 3.25Å; H926-E929 WeakPolarHBondContact CA-OE2 3.38Å; H926-E929 HydrophobicContact CB-CB 4.26Å; H926-E929 IonicContact ND1-OE1 3.67Å; H926-E929 IonicContact ND1-OE2 3.63Å; H926-E929 PolarHBondContact O-N 2.78Å; H926-V930 WeakPolarHBondContact O-CG2 3Å; H926-V930 PolarHBondContact O-N 3.47Å
927S94.1Very high92.9Very high0 Ų015.1 Ų15.10%07%0.066CC..Hα-helixtrans-62.6-39.9-177.8-48.90000111.1D922 E929 V930 I931 E966D922-S927 PolarHBondContact N-OG 3.5Å; D922-S927 VanDerWaalsContact N-OG 3.15Å; S927-E929 VanDerWaalsContact C-N 3.34Å; S927-E929 PolarHBondContact O-N 2.63Å; S927-V930 PolarHBondContact O-N 3.31Å; S927-I931 VanDerWaalsContact O-CG2 3.24Å; S927-I931 WeakPolarHBondContact O-CG2 3.4Å; S927-I931 PolarHBondContact O-N 3.38Å; S927-E966 WeakPolarHBondContact CB-OE2 3.31Å; S927-E966 PolarHBondContact N-OE1 3.45Å; S927-E966 PolarHBondContact N-OE2 2.89Å; S927-E966 PolarHBondContact OG-OE2 3.11Å
928I93.1Very high92.7Very high3 Ų315.1 Ų15.12%0.0157%0.066CC..Hα-helixtrans-63.2-42.3-179.8-64.3173.7000110.4I862 H926 S932 F963 E966 R970 Y971 F979I862-I928 HydrophobicContact CD1-CG2 3.93Å; H926-I928 VanDerWaalsContact C-N 3.29Å; H926-I928 PolarHBondContact O-N 3.37Å; I928-S932 WeakPolarHBondContact O-CB 3.42Å; I928-S932 PolarHBondContact O-N 2.97Å; I928-S932 PolarHBondContact O-OG 3.14Å; I928-F963 HydrophobicContact CG1-CE2 4.04Å; I928-E966 HydrophobicContact CD1-CG 3.94Å; I928-E966 HydrophobicContact CG1-CG 4.19Å; I928-E966 WeakPolarHBondContact CG1-OE1 3.29Å; I928-E966 PolarHBondContact N-OE1 2.97Å; I928-R970 HydrophobicContact CD1-CB 4.39Å; I928-Y971 HydrophobicContact CD1-CD2 3.76Å; I928-Y971 HydrophobicContact CD1-CE2 3.77Å; I928-Y971 HydrophobicContact CG2-CE2 4.23Å; I928-F979 HydrophobicContact CG2-CZ 4.46Å
929E91.7Very high92.5Very high31 Ų3116.5 Ų16.515%0.1458%0.076CC..Hα-helixtrans-68.3-45.6179-6683.7166.600111.8M851 F896 H926 S927 S932 L933 R970M851-E929 HydrophobicContact CE-CB 4.35Å; M851-E929 WeakPolarHBondContact CE-O 3.17Å; F896-E929 HydrophobicContact CB-CB 4.34Å; F896-E929 HydrophobicContact CD2-CB 3.52Å; F896-E929 HydrophobicContact CE2-CB 3.91Å; F896-E929 HydrophobicContact CG-CB 3.94Å; H926-E929 VanDerWaalsContact CA-OE2 3.25Å; H926-E929 WeakPolarHBondContact CA-OE2 3.38Å; H926-E929 HydrophobicContact CB-CB 4.26Å; H926-E929 IonicContact ND1-OE1 3.67Å; H926-E929 IonicContact ND1-OE2 3.63Å; H926-E929 PolarHBondContact O-N 2.78Å; S927-E929 VanDerWaalsContact C-N 3.34Å; S927-E929 PolarHBondContact O-N 2.63Å; E929-S932 PolarHBondContact O-N 2.95Å; E929-L933 WeakPolarHBondContact O-CB 3.41Å; E929-L933 PolarHBondContact O-N 2.57Å; E929-R970 IonicContact OE1-CZ 2.92Å; E929-R970 IonicContact OE1-NH1 3.84Å; E929-R970 PolarHBondContact OE1-NH1 3.11Å; E929-R970 IonicContact OE1-NH2 3.11Å; E929-R970 PolarHBondContact OE1-NH2 3.2Å; E929-R970 IonicContact OE2-CZ 3.8Å; E929-R970 IonicContact OE2-NH1 3.47Å; E929-R970 PolarHBondContact OE2-NH1 3.26Å; E929-R970 IonicContact OE2-NH2 3.14Å
930V93.8Very high92.2Very high0 Ų018.3 Ų18.30%09%0.085CC..Hα-helixtrans-58.1-54.4177.2173.80000110.1F896 V899 H926 S927 S932 L933 M934F896-V930 HydrophobicContact CB-CG2 3.92Å; F896-V930 HydrophobicContact CD2-CG2 4.39Å; V899-V930 HydrophobicContact CG2-CG1 4.26Å; V899-V930 HydrophobicContact CG2-CG2 4.29Å; H926-V930 WeakPolarHBondContact O-CG2 3Å; H926-V930 PolarHBondContact O-N 3.47Å; S927-V930 PolarHBondContact O-N 3.31Å; V930-S932 PolarHBondContact O-N 3.14Å; V930-L933 WeakPolarHBondContact O-CB 3.46Å; V930-L933 PolarHBondContact O-N 3.2Å; V930-M934 HydrophobicContact CG1-CE 4.22Å; V930-M934 HydrophobicContact CG1-CG 4.5Å; V930-M934 WeakPolarHBondContact O-CG 3.39Å; V930-M934 PolarHBondContact O-N 3.04Å
931I95.7Very high91.9Very high0 Ų020.3 Ų20.30%09%0.093CC..Hα-helixtrans-68.3-35.8-175.4-166.863.9000112.7Y920 V921 S927 L933 M934 F935 F963 F979 F983Y920-I931 HydrophobicContact CD2-CD1 3.71Å; Y920-I931 HydrophobicContact CG-CD1 3.93Å; V921-I931 HydrophobicContact CG1-CB 4.02Å; V921-I931 HydrophobicContact CG1-CG1 4.48Å; V921-I931 HydrophobicContact CG1-CG2 4.26Å; S927-I931 VanDerWaalsContact O-CG2 3.24Å; S927-I931 WeakPolarHBondContact O-CG2 3.4Å; S927-I931 PolarHBondContact O-N 3.38Å; I931-L933 VanDerWaalsContact C-N 3.27Å; I931-L933 PolarHBondContact O-N 3.17Å; I931-M934 PolarHBondContact O-N 2.78Å; I931-F935 HydrophobicContact CD1-CD1 4.13Å; I931-F935 HydrophobicContact CD1-CE1 3.69Å; I931-F935 HydrophobicContact CD1-CZ 3.91Å; I931-F935 HydrophobicContact CG1-CD1 4.34Å; I931-F935 HydrophobicContact CG1-CD2 4.29Å; I931-F935 HydrophobicContact CG1-CE1 4.03Å; I931-F935 HydrophobicContact CG1-CE2 3.98Å; I931-F935 HydrophobicContact CG1-CG 4.48Å; I931-F935 HydrophobicContact CG1-CZ 3.83Å; I931-F935 WeakPolarHBondContact O-CB 3.12Å; I931-F935 WeakPolarHBondContact O-CG 3.42Å; I931-F935 PolarHBondContact O-N 2.89Å; I931-F963 HydrophobicContact CG2-CE2 4.32Å; I931-F963 HydrophobicContact CG2-CZ 4.35Å; I931-F979 HydrophobicContact CG1-CE1 4.46Å; I931-F979 HydrophobicContact CG2-CD1 4.15Å; I931-F979 HydrophobicContact CG2-CE1 3.56Å; I931-F979 HydrophobicContact CG2-CZ 3.94Å; I931-F983 HydrophobicContact CD1-CE1 3.73Å; I931-F983 HydrophobicContact CD1-CZ 4.46Å; I931-F983 HydrophobicContact CG1-CE1 3.69Å; I931-F983 HydrophobicContact CG1-CZ 4.12Å
932S94.1Very high91.6Very high0 Ų023.1 Ų23.10%011%0.111CC..Hα-helixtrans-64.1-36175.5-59.30000111.2I928 E929 V930 L936I928-S932 WeakPolarHBondContact O-CB 3.42Å; I928-S932 PolarHBondContact O-N 2.97Å; I928-S932 PolarHBondContact O-OG 3.14Å; E929-S932 PolarHBondContact O-N 2.95Å; V930-S932 PolarHBondContact O-N 3.14Å; S932-L936 WeakPolarHBondContact O-CB 3.34Å; S932-L936 PolarHBondContact O-N 3.21Å
933L92.9Very high91.4Very high2 Ų225 Ų251%0.0113%0.13CC..Hα-helixtrans-67.3-45.4177.2-175.664.9000110.6L848 M851 F896 V899 I900 F903 E929 V930 I931 F935 L936 F937L848-L933 HydrophobicContact CD1-CD1 3.61Å; M851-L933 HydrophobicContact CE-CB 3.69Å; M851-L933 HydrophobicContact CE-CD1 4.43Å; M851-L933 HydrophobicContact SD-CB 4.47Å; M851-L933 HydrophobicContact SD-CD1 4.37Å; F896-L933 HydrophobicContact CE2-CB 4.46Å; F896-L933 HydrophobicContact CE2-CD2 3.96Å; V899-L933 HydrophobicContact CG1-CD2 4.14Å; I900-L933 HydrophobicContact CD1-CD2 4.05Å; F903-L933 HydrophobicContact CE2-CD2 3.94Å; E929-L933 WeakPolarHBondContact O-CB 3.41Å; E929-L933 PolarHBondContact O-N 2.57Å; V930-L933 WeakPolarHBondContact O-CB 3.46Å; V930-L933 PolarHBondContact O-N 3.2Å; I931-L933 VanDerWaalsContact C-N 3.27Å; I931-L933 PolarHBondContact O-N 3.17Å; L933-F935 PolarHBondContact O-N 3.06Å; L933-L936 PolarHBondContact O-N 2.98Å; L933-F937 HydrophobicContact CD1-CD2 4Å; L933-F937 HydrophobicContact CD1-CE2 3.52Å; L933-F937 HydrophobicContact CD1-CZ 4.01Å; L933-F937 HydrophobicContact CD2-CE2 4.11Å; L933-F937 HydrophobicContact CG-CD2 3.88Å; L933-F937 HydrophobicContact CG-CE2 3.65Å; L933-F937 WeakPolarHBondContact O-CD2 2.65Å; L933-F937 PolarHBondContact O-N 3.41Å
934M94.8Very high91.6Very high0 Ų022.2 Ų22.20%012%0.124CC..Hα-helixtrans-59-47.6176.4-65.3-54.7152.400111.7V899 F903 F916 Y920 V930 I931 F937 K938 F945 I947V899-M934 HydrophobicContact CG1-CE 3.47Å; V899-M934 VanDerWaalsContact CG1-CE 3.47Å; V899-M934 HydrophobicContact CG2-CE 4.3Å; F903-M934 HydrophobicContact CZ-CE 4.4Å; F916-M934 HydrophobicContact CD1-CE 4.14Å; F916-M934 HydrophobicContact CD1-SD 4.31Å; F916-M934 HydrophobicContact CD2-SD 4.02Å; F916-M934 HydrophobicContact CE1-CE 3.7Å; F916-M934 HydrophobicContact CE1-SD 4.29Å; F916-M934 HydrophobicContact CE2-CE 4.22Å; F916-M934 HydrophobicContact CE2-SD 4Å; F916-M934 HydrophobicContact CG-SD 4.19Å; F916-M934 HydrophobicContact CZ-CE 3.75Å; F916-M934 HydrophobicContact CZ-SD 4.14Å; Y920-M934 HydrophobicContact CD1-CG 3.93Å; Y920-M934 HydrophobicContact CE1-CG 4.21Å; V930-M934 HydrophobicContact CG1-CE 4.22Å; V930-M934 HydrophobicContact CG1-CG 4.5Å; V930-M934 WeakPolarHBondContact O-CG 3.39Å; V930-M934 PolarHBondContact O-N 3.04Å; I931-M934 PolarHBondContact O-N 2.78Å; M934-F937 PolarHBondContact O-N 2.9Å; M934-K938 WeakPolarHBondContact O-CB 2.95Å; M934-K938 PolarHBondContact O-N 2.94Å; M934-F945 HydrophobicContact CB-CE1 4.48Å; M934-F945 HydrophobicContact SD-CE1 3.66Å; M934-F945 HydrophobicContact SD-CZ 3.52Å; M934-F945 VanDerWaalsContact SD-CZ 3.52Å; M934-I947 HydrophobicContact CB-CD1 4.4Å; M934-I947 HydrophobicContact CB-CG2 4.24Å; M934-I947 HydrophobicContact SD-CG2 4.39Å
935F95.3Very high92.2Very high0 Ų021.2 Ų21.20%011%0.113CC..Hα-helixtrans-64.2-39.5177.9-78.91000112.7I865 I866 A869 L873 I931 L933 S939 I947 F979 A982 F983 L986I865-F935 HydrophobicContact CG2-CB 3.67Å; I866-F935 HydrophobicContact CG1-CD2 4.24Å; I866-F935 HydrophobicContact CG1-CE2 4.39Å; A869-F935 HydrophobicContact CB-CB 3.59Å; A869-F935 HydrophobicContact CB-CD1 3.99Å; A869-F935 HydrophobicContact CB-CD2 3.93Å; A869-F935 HydrophobicContact CB-CG 3.58Å; L873-F935 HydrophobicContact CD1-CE1 4.25Å; I931-F935 HydrophobicContact CD1-CD1 4.13Å; I931-F935 HydrophobicContact CD1-CE1 3.69Å; I931-F935 HydrophobicContact CD1-CZ 3.91Å; I931-F935 HydrophobicContact CG1-CD1 4.34Å; I931-F935 HydrophobicContact CG1-CD2 4.29Å; I931-F935 HydrophobicContact CG1-CE1 4.03Å; I931-F935 HydrophobicContact CG1-CE2 3.98Å; I931-F935 HydrophobicContact CG1-CG 4.48Å; I931-F935 HydrophobicContact CG1-CZ 3.83Å; I931-F935 WeakPolarHBondContact O-CB 3.12Å; I931-F935 WeakPolarHBondContact O-CG 3.42Å; I931-F935 PolarHBondContact O-N 2.89Å; L933-F935 PolarHBondContact O-N 3.06Å; F935-S939 VanDerWaalsContact O-CB 3.3Å; F935-S939 WeakPolarHBondContact O-CB 3.39Å; F935-S939 PolarHBondContact O-N 3.4Å; F935-S939 PolarHBondContact O-OG 3.13Å; F935-I947 HydrophobicContact CD1-CD1 3.77Å; F935-I947 HydrophobicContact CE1-CD1 3.94Å; F935-F979 HydrophobicContact CD2-CD1 4.44Å; F935-F979 HydrophobicContact CD2-CE1 4.23Å; F935-F979 AromaticContact CE2-CD1 3.82Å; F935-F979 HydrophobicContact CE2-CD1 3.82Å; F935-F979 HydrophobicContact CE2-CE1 4.06Å; F935-A982 HydrophobicContact CE2-CB 3.6Å; F935-A982 HydrophobicContact CZ-CB 3.63Å; F935-F983 HydrophobicContact CZ-CD1 4.03Å; F935-F983 AromaticContact CZ-CE1 3.94Å; F935-F983 HydrophobicContact CZ-CE1 3.94Å; F935-L986 HydrophobicContact CE1-CD2 4.34Å
936L92.2Very high92.8Very high2 Ų216 Ų161%0.019%0.094CC..Hα-helixtrans-64.6-48.8175.8-173.961.7000111P844 L847 L848 M851 I865 S932 L933 S939 I940P844-L936 HydrophobicContact CB-CD1 3.87Å; L847-L936 HydrophobicContact CB-CD2 4.11Å; L848-L936 HydrophobicContact CB-CD2 3.91Å; L848-L936 HydrophobicContact CD1-CD2 4.01Å; M851-L936 HydrophobicContact SD-CD2 4.32Å; I865-L936 HydrophobicContact CG1-CD1 4.4Å; I865-L936 HydrophobicContact CG2-CB 4.33Å; S932-L936 WeakPolarHBondContact O-CB 3.34Å; S932-L936 PolarHBondContact O-N 3.21Å; L933-L936 PolarHBondContact O-N 2.98Å; L936-S939 WeakPolarHBondContact O-CB 3.04Å; L936-S939 PolarHBondContact O-N 3.14Å; L936-S939 VanDerWaalsContact O-N 3.16Å; L936-I940 HydrophobicContact CD1-CD1 3.88Å; L936-I940 HydrophobicContact CD1-CG1 4.31Å; L936-I940 HydrophobicContact CG-CD1 3.78Å; L936-I940 VanDerWaalsContact O-CG1 3.24Å; L936-I940 WeakPolarHBondContact O-CG1 3.45Å; L936-I940 PolarHBondContact O-N 3.01Å
937F92.7Very high93.1Very high2 Ų215.5 Ų15.51%0.0099%0.092CC..Hα-helixtrans-63.9-41.5177.3-77-46.4000113L848 F903 W908 P909 L933 M934 S939 I940 Y941 F945L848-F937 HydrophobicContact CD1-CD1 4.48Å; L848-F937 HydrophobicContact CD1-CE1 3.72Å; L848-F937 HydrophobicContact CD1-CE2 4.44Å; L848-F937 HydrophobicContact CD1-CZ 3.69Å; L848-F937 HydrophobicContact CD2-CE1 4.32Å; F903-F937 HydrophobicContact CD2-CE2 4.43Å; F903-F937 HydrophobicContact CE2-CD2 4.41Å; F903-F937 AromaticContact CE2-CE2 3.8Å; F903-F937 HydrophobicContact CE2-CE2 3.8Å; F903-F937 HydrophobicContact CZ-CD2 4.25Å; F903-F937 HydrophobicContact CZ-CE2 4.03Å; W908-F937 HydrophobicContact CE3-CZ 4.25Å; W908-F937 HydrophobicContact CZ3-CZ 4.3Å; P909-F937 HydrophobicContact CB-CD1 4.23Å; P909-F937 HydrophobicContact CB-CE1 4.34Å; P909-F937 HydrophobicContact CG-CD1 4.43Å; P909-F937 HydrophobicContact CG-CD2 4.49Å; P909-F937 HydrophobicContact CG-CE1 4.4Å; P909-F937 HydrophobicContact CG-CE2 4.45Å; P909-F937 HydrophobicContact CG-CG 4.49Å; P909-F937 HydrophobicContact CG-CZ 4.41Å; L933-F937 HydrophobicContact CD1-CD2 4Å; L933-F937 HydrophobicContact CD1-CE2 3.52Å; L933-F937 HydrophobicContact CD1-CZ 4.01Å; L933-F937 HydrophobicContact CD2-CE2 4.11Å; L933-F937 HydrophobicContact CG-CD2 3.88Å; L933-F937 HydrophobicContact CG-CE2 3.65Å; L933-F937 WeakPolarHBondContact O-CD2 2.65Å; L933-F937 PolarHBondContact O-N 3.41Å; M934-F937 PolarHBondContact O-N 2.9Å; F937-S939 VanDerWaalsContact C-N 3.25Å; F937-S939 PolarHBondContact O-N 2.72Å; F937-I940 PolarHBondContact O-N 2.84Å; F937-Y941 AromaticContact CD1-CD2 3.96Å; F937-Y941 HydrophobicContact CD1-CD2 3.96Å; F937-Y941 AromaticContact CD1-CE2 3.88Å; F937-Y941 HydrophobicContact CD1-CE2 3.88Å; F937-Y941 HydrophobicContact CE1-CE2 4.24Å; F937-Y941 PolarHBondContact O-N 2.75Å; F937-F945 HydrophobicContact CB-CB 4.28Å; F937-F945 HydrophobicContact CB-CD1 3.61Å; F937-F945 HydrophobicContact CB-CD2 3.78Å; F937-F945 HydrophobicContact CB-CE1 3.78Å; F937-F945 HydrophobicContact CB-CE2 3.94Å; F937-F945 HydrophobicContact CB-CG 3.6Å; F937-F945 HydrophobicContact CB-CZ 3.94Å; F937-F945 HydrophobicContact CD2-CD2 4.46Å; F937-F945 AromaticContact CD2-CE2 3.89Å; F937-F945 HydrophobicContact CD2-CE2 3.89Å; F937-F945 AromaticContact CD2-CZ 3.93Å; F937-F945 HydrophobicContact CD2-CZ 3.93Å; F937-F945 HydrophobicContact CG-CD2 4.27Å; F937-F945 HydrophobicContact CG-CE2 4.16Å; F937-F945 HydrophobicContact CG-CZ 4.35Å
938K94.1Very high93.2Very high0 Ų015.5 Ų15.50%09%0.092CC..Hα-helixtrans-61-36.1173.3175.362.4-164.9-176.30111.9A872 L873 D876 M934 P942 F945 I947A872-K938 HydrophobicContact CB-CG 4.18Å; L873-K938 HydrophobicContact CD2-CD 4.31Å; L873-K938 HydrophobicContact CD2-CG 3.91Å; L873-K938 HydrophobicContact CG-CG 4.25Å; D876-K938 IonicContact OD1-NZ 3.71Å; D876-K938 PolarHBondContact OD1-NZ 3.3Å; D876-K938 VanDerWaalsContact OD2-CE 3.31Å; D876-K938 WeakPolarHBondContact OD2-CE 3.33Å; D876-K938 IonicContact OD2-NZ 3.15Å; D876-K938 PolarHBondContact OD2-NZ 2.94Å; M934-K938 WeakPolarHBondContact O-CB 2.95Å; M934-K938 PolarHBondContact O-N 2.94Å; K938-P942 PolarHBondContact NZ-O 3.31Å; K938-P942 VanDerWaalsContact O-CA 3.23Å; K938-P942 WeakPolarHBondContact O-CA 3.5Å; K938-P942 WeakPolarHBondContact O-CB 3.45Å; K938-F945 HydrophobicContact CB-CD1 4.44Å; K938-F945 WeakPolarHBondContact CD-O 3.46Å; K938-I947 HydrophobicContact CB-CD1 4.25Å
939S91.2Very high93.4Very high29 Ų2915.4 Ų15.420%0.2039%0.091CC..Hα-helixtrans-71.5-37.3178.3-59.70000112.8A869 F935 L936 F937A869-S939 WeakPolarHBondContact CA-OG 3.32Å; A869-S939 PolarHBondContact N-OG 3.09Å; F935-S939 VanDerWaalsContact O-CB 3.3Å; F935-S939 WeakPolarHBondContact O-CB 3.39Å; F935-S939 PolarHBondContact O-N 3.4Å; F935-S939 PolarHBondContact O-OG 3.13Å; L936-S939 WeakPolarHBondContact O-CB 3.04Å; L936-S939 PolarHBondContact O-N 3.14Å; L936-S939 VanDerWaalsContact O-N 3.16Å; F937-S939 VanDerWaalsContact C-N 3.25Å; F937-S939 PolarHBondContact O-N 2.72Å
940I89.6Confident93.6Very high39 Ų3914 Ų1420%0.28%0.084CC..Hα-helixtrans-82.6-39.8-178.5-58.1166.5000111.2P844 L936 F937 P942P844-I940 HydrophobicContact CB-CD1 3.46Å; P844-I940 VanDerWaalsContact CB-CD1 3.46Å; P844-I940 HydrophobicContact CB-CG1 3.51Å; P844-I940 HydrophobicContact CG-CG1 4.36Å; L936-I940 HydrophobicContact CD1-CD1 3.88Å; L936-I940 HydrophobicContact CD1-CG1 4.31Å; L936-I940 HydrophobicContact CG-CD1 3.78Å; L936-I940 VanDerWaalsContact O-CG1 3.24Å; L936-I940 WeakPolarHBondContact O-CG1 3.45Å; L936-I940 PolarHBondContact O-N 3.01Å; F937-I940 PolarHBondContact O-N 2.84Å; I940-P942 WeakPolarHBondContact O-CD 3.14Å
941Y90.8Very high93.7Very high42 Ų4214.2 Ų14.217%0.1659%0.085CC..  trans-125.658.8-173.4-48.8-58.1000112.1P909 P910 F937 G943 D944 F945P909-Y941 HydrophobicContact CB-CD2 3.97Å; P909-Y941 HydrophobicContact CB-CE2 4.24Å; P910-Y941 HydrophobicContact CB-CD1 3.61Å; P910-Y941 HydrophobicContact CB-CD2 4.26Å; P910-Y941 HydrophobicContact CB-CE1 3.77Å; P910-Y941 HydrophobicContact CB-CE2 4.41Å; P910-Y941 HydrophobicContact CB-CG 3.88Å; P910-Y941 HydrophobicContact CG-CD1 3.96Å; P910-Y941 HydrophobicContact CG-CE1 3.56Å; P910-Y941 HydrophobicContact CG-CE2 4.46Å; F937-Y941 AromaticContact CD1-CD2 3.96Å; F937-Y941 HydrophobicContact CD1-CD2 3.96Å; F937-Y941 AromaticContact CD1-CE2 3.88Å; F937-Y941 HydrophobicContact CD1-CE2 3.88Å; F937-Y941 HydrophobicContact CE1-CE2 4.24Å; F937-Y941 PolarHBondContact O-N 2.75Å; Y941-G943 PolarHBondContact O-N 2.69Å; Y941-D944 PolarHBondContact O-N 2.97Å; Y941-F945 PolarHBondContact O-N 2.78Å
942P89.9Confident93.7Very high60 Ų6014.7 Ų14.739%0.399%0.088SC..THydrogen-bonded Turntrans-60.5-23.4-171.323.3-34.5000114.9K938 I940K938-P942 PolarHBondContact NZ-O 3.31Å; K938-P942 VanDerWaalsContact O-CA 3.23Å; K938-P942 WeakPolarHBondContact O-CA 3.5Å; K938-P942 WeakPolarHBondContact O-CB 3.45Å; I940-P942 WeakPolarHBondContact O-CD 3.14Å
943G88.6Confident93.7Very high39 Ų3914.7 Ų14.740%0.4029%0.088SC..THydrogen-bonded Turntrans-93.9-3.9177.600000115.5Y941 Y946Y941-G943 PolarHBondContact O-N 2.69Å; G943-Y946 PolarHBondContact O-OH 2.94Å
944D91.9Very high93.7Very high51 Ų5115 Ų1527%0.2739%0.09SC..THydrogen-bonded Turntrans-130.2-6.1-179.9-66.5-62.4000113.4R913 Y914 Y941R913-D944 CarbonylContact C-O 3.59Å; R913-D944 WeakPolarHBondContact CA-O 3.49Å; R913-D944 WeakPolarHBondContact CG-O 2.7Å; R913-D944 IonicContact CZ-OD1 3.54Å; R913-D944 IonicContact NE-OD1 3.53Å; R913-D944 PolarHBondContact NE-OD1 2.85Å; R913-D944 VanDerWaalsContact NE-OD1 3.09Å; R913-D944 IonicContact NH2-OD1 3.16Å; R913-D944 PolarHBondContact NH2-OD1 2.77Å; Y914-D944 PolarHBondContact N-O 2.78Å; Y941-D944 PolarHBondContact O-N 2.97Å
945F94.6Very high93.5Very high0 Ų018 Ų180%011%0.105CC..EExtended strand (participates in β ladder)trans-128.3109.6177.6-158.3-87.8000110.6F903 P909 Y914 F916 M934 F937 K938 Y941 I947F903-F945 AromaticContact CE1-CE2 3.83Å; F903-F945 HydrophobicContact CE1-CE2 3.83Å; F903-F945 HydrophobicContact CE1-CZ 4.34Å; F903-F945 AromaticContact CZ-CE2 3.83Å; F903-F945 HydrophobicContact CZ-CE2 3.83Å; F903-F945 AromaticContact CZ-CZ 3.95Å; F903-F945 HydrophobicContact CZ-CZ 3.95Å; P909-F945 HydrophobicContact CB-CD2 4.11Å; P909-F945 HydrophobicContact CG-CD2 3.67Å; P909-F945 HydrophobicContact CG-CE2 3.75Å; Y914-F945 HydrophobicContact CD2-CE2 4.49Å; Y914-F945 HydrophobicContact CG-CE2 4.29Å; F916-F945 HydrophobicContact CD2-CE1 4.31Å; F916-F945 HydrophobicContact CD2-CE2 4.5Å; F916-F945 AromaticContact CD2-CZ 3.88Å; F916-F945 HydrophobicContact CD2-CZ 3.88Å; F916-F945 HydrophobicContact CE2-CE1 4.39Å; F916-F945 AromaticContact CE2-CE2 3.93Å; F916-F945 HydrophobicContact CE2-CE2 3.93Å; F916-F945 AromaticContact CE2-CZ 3.54Å; F916-F945 HydrophobicContact CE2-CZ 3.54Å; F916-F945 HydrophobicContact CZ-CZ 4.48Å; M934-F945 HydrophobicContact CB-CE1 4.48Å; M934-F945 HydrophobicContact SD-CE1 3.66Å; M934-F945 HydrophobicContact SD-CZ 3.52Å; M934-F945 VanDerWaalsContact SD-CZ 3.52Å; F937-F945 HydrophobicContact CB-CB 4.28Å; F937-F945 HydrophobicContact CB-CD1 3.61Å; F937-F945 HydrophobicContact CB-CD2 3.78Å; F937-F945 HydrophobicContact CB-CE1 3.78Å; F937-F945 HydrophobicContact CB-CE2 3.94Å; F937-F945 HydrophobicContact CB-CG 3.6Å; F937-F945 HydrophobicContact CB-CZ 3.94Å; F937-F945 HydrophobicContact CD2-CD2 4.46Å; F937-F945 AromaticContact CD2-CE2 3.89Å; F937-F945 HydrophobicContact CD2-CE2 3.89Å; F937-F945 AromaticContact CD2-CZ 3.93Å; F937-F945 HydrophobicContact CD2-CZ 3.93Å; F937-F945 HydrophobicContact CG-CD2 4.27Å; F937-F945 HydrophobicContact CG-CE2 4.16Å; F937-F945 HydrophobicContact CG-CZ 4.35Å; K938-F945 HydrophobicContact CB-CD1 4.44Å; K938-F945 WeakPolarHBondContact CD-O 3.46Å; Y941-F945 PolarHBondContact O-N 2.78Å; F945-I947 HydrophobicContact CD1-CG2 4.04Å; F945-I947 HydrophobicContact CE1-CG2 3.67Å
946Y96.7Very high93.3Very high25 Ų2522.2 Ų22.210%0.09813%0.132CC..EExtended strand (participates in β ladder)trans-115.5137.8-174.6-56.9-81000110.5V880 V882 R913 Y914 L915 F916 G943V880-Y946 HydrophobicContact CG1-CD1 3.41Å; V880-Y946 VanDerWaalsContact CG1-CD1 3.41Å; V880-Y946 HydrophobicContact CG1-CE1 3.6Å; V880-Y946 HydrophobicContact CG1-CG 4.26Å; V882-Y946 HydrophobicContact CB-CE2 4.4Å; V882-Y946 HydrophobicContact CG1-CD2 3.95Å; V882-Y946 HydrophobicContact CG1-CE2 3.8Å; V882-Y946 HydrophobicContact CG2-CD1 4.23Å; V882-Y946 HydrophobicContact CG2-CD2 3.83Å; V882-Y946 HydrophobicContact CG2-CE1 4.33Å; V882-Y946 HydrophobicContact CG2-CE2 3.98Å; V882-Y946 HydrophobicContact CG2-CG 3.93Å; R913-Y946 HydrophobicContact CG-CD2 4.24Å; R913-Y946 HydrophobicContact CG-CE2 3.96Å; Y914-Y946 PolarHBondContact O-N 2.87Å; L915-Y946 CarbonylContact C-O 3.54Å; L915-Y946 WeakPolarHBondContact CA-O 3.42Å; F916-Y946 PolarHBondContact N-O 3.39Å; G943-Y946 PolarHBondContact O-OH 2.94Å
947I96.8Very high93.3Very high1 Ų123.2 Ų23.21%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-134.1131.4-179.857.7176.7000109.1L873 F916 Y920 M934 F935 K938 F945 L986 P987L873-I947 HydrophobicContact CD2-CD1 4.11Å; L873-I947 HydrophobicContact CD2-CG1 3.9Å; F916-I947 HydrophobicContact CB-CG2 4.3Å; Y920-I947 WeakPolarHBondContact OH-CB 3.27Å; M934-I947 HydrophobicContact CB-CD1 4.4Å; M934-I947 HydrophobicContact CB-CG2 4.24Å; M934-I947 HydrophobicContact SD-CG2 4.39Å; F935-I947 HydrophobicContact CD1-CD1 3.77Å; F935-I947 HydrophobicContact CE1-CD1 3.94Å; K938-I947 HydrophobicContact CB-CD1 4.25Å; F945-I947 HydrophobicContact CD1-CG2 4.04Å; F945-I947 HydrophobicContact CE1-CG2 3.67Å; I947-L986 HydrophobicContact CD1-CD2 3.7Å; I947-L986 HydrophobicContact CG1-CD2 3.76Å; I947-P987 WeakPolarHBondContact O-CD 3.35Å
948L97.4Very high93.3Very high0 Ų023.1 Ų23.10%014%0.137CC..  trans-103164.5175.1-57.7-176.1000110.8V880 L915 F916 L917 Y920 P987 A990 C998V880-L948 HydrophobicContact CG2-CD2 4.48Å; L915-L948 HydrophobicContact CD1-CD1 4.25Å; L915-L948 HydrophobicContact CD1-CD2 4.41Å; L915-L948 HydrophobicContact CD1-CG 3.99Å; F916-L948 PolarHBondContact O-N 3.33Å; L917-L948 HydrophobicContact CD2-CD1 3.94Å; Y920-L948 WeakPolarHBondContact CE2-O 3.18Å; Y920-L948 PolarHBondContact OH-N 3.47Å; Y920-L948 VanDerWaalsContact OH-N 3.14Å; Y920-L948 PolarHBondContact OH-O 2.74Å; L948-P987 CarbonylContact C-O 3.45Å; L948-P987 WeakPolarHBondContact CA-O 3.49Å; L948-P987 HydrophobicContact CD2-CB 3.92Å; L948-A990 HydrophobicContact CD1-CB 4.06Å; L948-A990 HydrophobicContact CD2-CB 4.13Å; L948-C998 HydrophobicContact CD1-CB 4.45Å
949R97Very high93.2Very high1 Ų130.5 Ų30.50%0.00417%0.165CC..  trans-82.6133.2175.4-160.6174.3-172.7166.18.5110.1E953 F983 D984 L986 P987 H1000 V1020 L1032R949-E953 HydrophobicContact CG-CB 3.86Å; R949-E953 PolarHBondContact NE-O 2.83Å; R949-E953 PolarHBondContact NH2-O 3.09Å; R949-E953 VanDerWaalsContact NH2-O 3.14Å; R949-F983 PolarHBondContact NE-O 3.04Å; R949-F983 PolarHBondContact NH1-O 2.76Å; R949-D984 IonicContact CZ-OD1 3.33Å; R949-D984 IonicContact NH1-OD1 2.59Å; R949-D984 IonicContact NH2-OD1 2.63Å; R949-D984 PolarHBondContact NH2-OD1 3Å; R949-L986 HydrophobicContact CB-CB 3.66Å; R949-L986 HydrophobicContact CB-CD1 4.27Å; R949-L986 HydrophobicContact CG-CB 4.01Å; R949-L986 HydrophobicContact CG-CD1 4.11Å; R949-P987 WeakPolarHBondContact CB-O 3.38Å; R949-P987 PolarHBondContact N-O 3.17Å; R949-H1000 WeakPolarHBondContact O-CB 3.25Å; R949-V1020 PolarHBondContact NH1-O 2.93Å; R949-L1032 HydrophobicContact CB-CD2 4.34Å; R949-L1032 WeakPolarHBondContact O-CD2 3.08Å
950G96.2Very high93Very high0 Ų034.5 Ų34.50%019%0.188CC..  trans-103.8-179.8165.100000112.7D919 H952 E953 H1000D919-G950 WeakPolarHBondContact OD1-CA 3.42Å; G950-H952 VanDerWaalsContact C-N 3.3Å; G950-E953 WeakPolarHBondContact CA-OE2 3.45Å; G950-E953 PolarHBondContact N-OE2 2.95Å; G950-E953 PolarHBondContact O-N 3Å; G950-H1000 WeakPolarHBondContact CA-CD2 3.46Å; G950-H1000 VanDerWaalsContact CA-CG 3.44Å
951N94.7Very high92.9Very high5 Ų537.8 Ų37.83%0.02720%0.198CC..SBendtrans-75.2-22.7-179.865.6-71.3000112D919 E953 C954 I957 H1000 L1032 W1033 H1075D919-N951 PolarHBondContact OD1-N 3.37Å; D919-N951 PolarHBondContact OD1-OD1 3.22Å; D919-N951 PolarHBondContact OD2-OD1 3.43Å; N951-E953 VanDerWaalsContact C-N 3.31Å; N951-C954 VanDerWaalsContact O-CB 3.26Å; N951-C954 WeakPolarHBondContact O-CB 3.48Å; N951-C954 PolarHBondContact O-N 2.84Å; N951-I957 WeakPolarHBondContact O-CB 3.44Å; N951-I957 VanDerWaalsContact O-CG1 3.31Å; N951-I957 WeakPolarHBondContact O-CG1 3.23Å; N951-H1000 PolarHBondContact N-CD2 3Å; N951-H1000 VanDerWaalsContact N-CD2 3.29Å; N951-H1000 PolarHBondContact OD1-CD2 3.17Å; N951-H1000 VanDerWaalsContact OD1-CD2 3.24Å; N951-H1000 PolarHBondContact OD1-NE2 3.27Å; N951-L1032 HydrophobicContact CB-CB 4.39Å; N951-W1033 HydrophobicContact CB-CD2 4.09Å; N951-W1033 HydrophobicContact CB-CH2 4.38Å; N951-W1033 HydrophobicContact CB-CZ2 3.78Å; N951-H1075 PolarHBondContact OD1-CE1 2.86Å; N951-H1075 VanDerWaalsContact OD1-CE1 3.27Å; N951-H1075 PolarHBondContact OD1-ND1 2.95Å
952H95.3Very high92.6Very high10 Ų1037 Ų375%0.04620%0.202CC..THydrogen-bonded Turntrans-74.9-19.2172.4-76.3-98.1000112.5H893 D919 V921 D922 G950 C954 I957 N958H893-H952 AromaticContact CE1-CD2 3.52Å; H893-H952 AromaticContact CE1-CE1 3.99Å; H893-H952 AromaticContact CE1-CG 3.8Å; H893-H952 AromaticContact CE1-NE2 3.67Å; D919-H952 HydrophobicContact CB-CB 4.37Å; D919-H952 VanDerWaalsContact CG-CD2 3.43Å; D919-H952 WeakPolarHBondContact OD1-CB 3.36Å; D919-H952 IonicContact OD1-CD2 3.75Å; D919-H952 PolarHBondContact OD1-CD2 2.71Å; D919-H952 IonicContact OD1-CG 3.5Å; D919-H952 PolarHBondContact OD1-N 3.28Å; D919-H952 IonicContact OD2-CD2 3.94Å; D919-H952 PolarHBondContact OD2-CD2 3.44Å; D919-H952 IonicContact OD2-CG 3.72Å; V921-H952 HydrophobicContact CG2-CB 4.21Å; D922-H952 VanDerWaalsContact CB-ND1 3.34Å; D922-H952 WeakPolarHBondContact CB-ND1 3.25Å; D922-H952 IonicContact OD2-CE1 3.77Å; D922-H952 IonicContact OD2-CG 3.91Å; D922-H952 IonicContact OD2-ND1 3.59Å; D922-H952 PolarHBondContact OD2-ND1 2.84Å; G950-H952 VanDerWaalsContact C-N 3.3Å; H952-C954 PolarHBondContact O-N 2.81Å; H952-C954 VanDerWaalsContact O-N 3.15Å; H952-I957 HydrophobicContact CB-CG2 4.39Å; H952-N958 WeakPolarHBondContact O-CB 3.31Å; H952-N958 PolarHBondContact O-ND2 3.04Å; H952-N958 VanDerWaalsContact O-ND2 3.08Å
953E95.5Very high92.9Very high0 Ų034.1 Ų34.10%018%0.184CC..THydrogen-bonded Turntrans-80.515.2168.5-66.770.1-136.700112.9D919 Y920 V921 R949 G950 N951 F983 L986D919-E953 WeakPolarHBondContact CA-OE1 3.49Å; D919-E953 PolarHBondContact N-OE2 3.46Å; Y920-E953 HydrophobicContact CD2-CG 3.96Å; Y920-E953 WeakPolarHBondContact CD2-OE1 3.36Å; Y920-E953 HydrophobicContact CE2-CG 4.43Å; Y920-E953 PolarHBondContact N-OE1 2.8Å; V921-E953 PolarHBondContact N-OE1 3.22Å; R949-E953 HydrophobicContact CG-CB 3.86Å; R949-E953 PolarHBondContact NE-O 2.83Å; R949-E953 PolarHBondContact NH2-O 3.09Å; R949-E953 VanDerWaalsContact NH2-O 3.14Å; G950-E953 WeakPolarHBondContact CA-OE2 3.45Å; G950-E953 PolarHBondContact N-OE2 2.95Å; G950-E953 PolarHBondContact O-N 3Å; N951-E953 VanDerWaalsContact C-N 3.31Å; E953-F983 HydrophobicContact CB-CB 4.15Å; E953-F983 HydrophobicContact CB-CD1 4.05Å; E953-F983 HydrophobicContact CB-CD2 4.15Å; E953-F983 HydrophobicContact CB-CE1 4.47Å; E953-F983 HydrophobicContact CB-CG 3.88Å; E953-F983 HydrophobicContact CG-CD1 3.84Å; E953-F983 HydrophobicContact CG-CD2 4.45Å; E953-F983 HydrophobicContact CG-CE1 3.85Å; E953-F983 HydrophobicContact CG-CE2 4.46Å; E953-F983 HydrophobicContact CG-CG 4.16Å; E953-F983 HydrophobicContact CG-CZ 4.18Å; E953-F983 WeakPolarHBondContact O-CB 3.39Å; E953-L986 HydrophobicContact CB-CD1 4.07Å; E953-L986 HydrophobicContact CG-CD1 3.89Å
954C92.8Very high93.1Very high8 Ų834.9 Ų34.95%0.05418%0.176CC..SBendtrans-100.1134.1170.6-62.70000111.3N951 H952 P956 I957 N958 I1022N951-C954 VanDerWaalsContact O-CB 3.26Å; N951-C954 WeakPolarHBondContact O-CB 3.48Å; N951-C954 PolarHBondContact O-N 2.84Å; H952-C954 PolarHBondContact O-N 2.81Å; H952-C954 VanDerWaalsContact O-N 3.15Å; C954-P956 VanDerWaalsContact C-CD 3.44Å; C954-I957 HydrophobicContact CB-CG1 4.37Å; C954-I957 PolarHBondContact O-N 3.1Å; C954-N958 PolarHBondContact O-N 2.86Å; C954-N958 VanDerWaalsContact O-N 3.08Å; C954-N958 PolarHBondContact O-ND2 3.07Å; C954-I1022 VanDerWaalsContact SG-CG1 3.58Å
955M91.1Very high93Very high65 Ų6537.9 Ų37.932%0.3219%0.188SC..Hα-helixtrans-52.7-41.1-178.2-166.8-172.4-171.300114.5I957 N958 R959 Y976 L977 Q980M955-I957 PolarHBondContact O-N 2.75Å; M955-N958 WeakPolarHBondContact CA-OD1 3.34Å; M955-N958 PolarHBondContact O-OD1 3.14Å; M955-R959 WeakPolarHBondContact O-CB 3.47Å; M955-R959 PolarHBondContact O-N 3.47Å; M955-Y976 HydrophobicContact CE-CE1 4.2Å; M955-Y976 WeakPolarHBondContact CG-OH 3.38Å; M955-L977 HydrophobicContact CE-CD2 4.38Å; M955-Q980 HydrophobicContact CG-CG 4.41Å
956P89.6Confident92.8Very high87 Ų8739 Ų3957%0.56519%0.193SC*.Hα-helixtrans-62.6-27.6178-24.136000113.9C954C954-P956 VanDerWaalsContact C-CD 3.44Å
957I92.4Very high92.7Very high23 Ų2337.8 Ų37.812%0.11819%0.189CC..Hα-helixtrans-89.6-58.5-175.7-55.3-50.8000110.2N951 H952 C954 M955 R959 V960 Y961 W1033N951-I957 WeakPolarHBondContact O-CB 3.44Å; N951-I957 VanDerWaalsContact O-CG1 3.31Å; N951-I957 WeakPolarHBondContact O-CG1 3.23Å; H952-I957 HydrophobicContact CB-CG2 4.39Å; C954-I957 HydrophobicContact CB-CG1 4.37Å; C954-I957 PolarHBondContact O-N 3.1Å; M955-I957 PolarHBondContact O-N 2.75Å; I957-R959 PolarHBondContact O-N 2.87Å; I957-V960 PolarHBondContact O-N 3.41Å; I957-Y961 HydrophobicContact CB-CD2 4.39Å; I957-Y961 HydrophobicContact CD1-CE2 4.46Å; I957-Y961 HydrophobicContact CG2-CD2 3.49Å; I957-Y961 VanDerWaalsContact CG2-CD2 3.49Å; I957-Y961 HydrophobicContact CG2-CE2 3.94Å; I957-Y961 HydrophobicContact CG2-CG 4.43Å; I957-Y961 WeakPolarHBondContact O-CD2 3.26Å; I957-Y961 PolarHBondContact O-N 2.86Å; I957-W1033 HydrophobicContact CD1-CH2 3.52Å; I957-W1033 HydrophobicContact CD1-CZ2 3.58Å; I957-W1033 HydrophobicContact CG1-CH2 3.95Å; I957-W1033 HydrophobicContact CG1-CZ2 3.63Å
958N94.1Very high92.3Very high0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-65.3-10.7-179.461.243000115.3V921 D922 H952 C954 M955 V960 F963 F964 Y976 Q980V921-N958 HydrophobicContact CG2-CB 4.22Å; D922-N958 WeakPolarHBondContact OD1-CA 3.48Å; D922-N958 WeakPolarHBondContact OD2-CA 3.17Å; H952-N958 WeakPolarHBondContact O-CB 3.31Å; H952-N958 PolarHBondContact O-ND2 3.04Å; H952-N958 VanDerWaalsContact O-ND2 3.08Å; C954-N958 PolarHBondContact O-N 2.86Å; C954-N958 VanDerWaalsContact O-N 3.08Å; C954-N958 PolarHBondContact O-ND2 3.07Å; M955-N958 WeakPolarHBondContact CA-OD1 3.34Å; M955-N958 PolarHBondContact O-OD1 3.14Å; N958-V960 VanDerWaalsContact C-N 3.34Å; N958-F963 HydrophobicContact CB-CB 3.93Å; N958-F963 HydrophobicContact CB-CD1 4.07Å; N958-F963 HydrophobicContact CB-CG 4.46Å; N958-F964 WeakPolarHBondContact O-CB 3.18Å; N958-F964 PolarHBondContact O-N 3.24Å; N958-Y976 WeakPolarHBondContact OD1-CE2 3.2Å; N958-Y976 PolarHBondContact OD1-OH 3.13Å; N958-Q980 PolarHBondContact ND2-NE2 3.22Å; N958-Q980 PolarHBondContact ND2-OE1 3.14Å; N958-Q980 PolarHBondContact OD1-NE2 3.28Å; N958-Q980 VanDerWaalsContact OD1-NE2 3.17Å
959R90.5Very high91.9Very high156 Ų15646.3 Ų46.359%0.58923%0.233SC*.THydrogen-bonded Turntrans-75.7-22.9170.2-170.2167.9-179.2-143.6-5.9113.6M955 I957 F964M955-R959 WeakPolarHBondContact O-CB 3.47Å; M955-R959 PolarHBondContact O-N 3.47Å; I957-R959 PolarHBondContact O-N 2.87Å; R959-F964 HydrophobicContact CG-CB 4.44Å; R959-F964 HydrophobicContact CG-CG 4.31Å
960V88.3Confident91.6Very high113 Ų11349 Ų4969%0.68524%0.243SC*.THydrogen-bonded Turntrans-111.3-33.4-173.5-175.90000111.9I957 N958I957-V960 PolarHBondContact O-N 3.41Å; N958-V960 VanDerWaalsContact C-N 3.34Å
961Y86Confident91.4Very high108 Ų10851.7 Ų51.742%0.42425%0.253SS..SBendtrans-94.77.1-170.6-71-80.7000116D922 R923 I957D922-Y961 WeakPolarHBondContact CB-O 3.27Å; D922-Y961 VanDerWaalsContact OD1-C 3.26Å; R923-Y961 PolarHBondContact N-O 2.81Å; I957-Y961 HydrophobicContact CB-CD2 4.39Å; I957-Y961 HydrophobicContact CD1-CE2 4.46Å; I957-Y961 HydrophobicContact CG2-CD2 3.49Å; I957-Y961 VanDerWaalsContact CG2-CD2 3.49Å; I957-Y961 HydrophobicContact CG2-CE2 3.94Å; I957-Y961 HydrophobicContact CG2-CG 4.43Å; I957-Y961 WeakPolarHBondContact O-CD2 3.26Å; I957-Y961 PolarHBondContact O-N 2.86Å
962G85.9Confident91.2Very high24 Ų2452.7 Ų52.725%0.24726%0.261CS..SBendtrans131.6-30.1162.900000116D922 F964 E965 E966D922-G962 PolarHBondContact OD1-N 3.48Å; G962-F964 PolarHBondContact O-N 2.98Å; G962-E965 CarbonylContact O-C 3.59Å; G962-E965 WeakPolarHBondContact O-CA 3.44Å; G962-E965 WeakPolarHBondContact O-CB 3.47Å; G962-E965 PolarHBondContact O-N 3.12Å; G962-E965 VanDerWaalsContact O-N 3.09Å; G962-E966 PolarHBondContact O-N 3.5Å
963F94.7Very high91.1Very high0 Ų054.7 Ų54.70%027%0.271CS..Hα-helixtrans-65.4-39.8-172.5-178.4-122.3000113.5V921 D922 I928 I931 N958 E965 E966 C967 Y976 F979 F983V921-F963 HydrophobicContact CB-CB 4.06Å; V921-F963 HydrophobicContact CB-CD1 4.4Å; V921-F963 HydrophobicContact CB-CD2 3.89Å; V921-F963 HydrophobicContact CB-CE2 4.38Å; V921-F963 HydrophobicContact CB-CG 3.87Å; V921-F963 HydrophobicContact CG1-CD1 4.41Å; V921-F963 HydrophobicContact CG1-CD2 3.82Å; V921-F963 HydrophobicContact CG1-CE1 4.41Å; V921-F963 HydrophobicContact CG1-CE2 3.79Å; V921-F963 HydrophobicContact CG1-CG 4.12Å; V921-F963 HydrophobicContact CG1-CZ 4.1Å; V921-F963 HydrophobicContact CG2-CB 4.23Å; V921-F963 HydrophobicContact CG2-CD1 4.33Å; V921-F963 HydrophobicContact CG2-CG 4.17Å; D922-F963 WeakPolarHBondContact OD1-CB 3.44Å; D922-F963 PolarHBondContact OD1-N 3.48Å; I928-F963 HydrophobicContact CG1-CE2 4.04Å; I931-F963 HydrophobicContact CG2-CE2 4.32Å; I931-F963 HydrophobicContact CG2-CZ 4.35Å; N958-F963 HydrophobicContact CB-CB 3.93Å; N958-F963 HydrophobicContact CB-CD1 4.07Å; N958-F963 HydrophobicContact CB-CG 4.46Å; F963-E965 VanDerWaalsContact C-N 3.3Å; F963-E965 PolarHBondContact O-N 2.98Å; F963-E966 PolarHBondContact O-N 2.84Å; F963-C967 VanDerWaalsContact CE2-SG 3.58Å; F963-C967 WeakPolarHBondContact O-CB 3.44Å; F963-C967 PolarHBondContact O-N 3.45Å; F963-C967 PolarHBondContact O-SG 2.75Å; F963-C967 VanDerWaalsContact O-SG 3.41Å; F963-Y976 AromaticContact CD1-CD2 3.99Å; F963-Y976 HydrophobicContact CD1-CD2 3.99Å; F963-Y976 AromaticContact CD1-CE2 3.99Å; F963-Y976 HydrophobicContact CD1-CE2 3.99Å; F963-Y976 HydrophobicContact CE1-CD2 4.16Å; F963-Y976 HydrophobicContact CE1-CE2 4.47Å; F963-F979 HydrophobicContact CE1-CB 3.85Å; F963-F979 HydrophobicContact CE1-CD2 4.23Å; F963-F979 HydrophobicContact CE1-CG 4.12Å; F963-F979 HydrophobicContact CZ-CB 3.94Å; F963-F979 HydrophobicContact CZ-CD1 4.19Å; F963-F979 AromaticContact CZ-CD2 3.6Å; F963-F979 HydrophobicContact CZ-CD2 3.6Å; F963-F979 HydrophobicContact CZ-CE2 4.06Å; F963-F979 AromaticContact CZ-CG 3.67Å; F963-F979 HydrophobicContact CZ-CG 3.67Å; F963-F983 HydrophobicContact CD1-CE2 4.13Å; F963-F983 AromaticContact CE1-CE2 3.6Å; F963-F983 HydrophobicContact CE1-CE2 3.6Å; F963-F983 AromaticContact CE1-CZ 3.8Å; F963-F983 HydrophobicContact CE1-CZ 3.8Å; F963-F983 HydrophobicContact CZ-CE2 4.36Å; F963-F983 HydrophobicContact CZ-CZ 4.11Å
964F93.2Very high91Very high55 Ų5561.1 Ų61.124%0.24130%0.299CS..Hα-helixtrans-60.3-43.1172.5173.2-98.5000111.7N958 R959 G962 S968 I973 Y976N958-F964 WeakPolarHBondContact O-CB 3.18Å; N958-F964 PolarHBondContact O-N 3.24Å; R959-F964 HydrophobicContact CG-CB 4.44Å; R959-F964 HydrophobicContact CG-CG 4.31Å; G962-F964 PolarHBondContact O-N 2.98Å; F964-S968 WeakPolarHBondContact O-CB 3.47Å; F964-S968 PolarHBondContact O-N 3.05Å; F964-S968 PolarHBondContact O-OG 2.79Å; F964-I973 HydrophobicContact CE2-CG1 4.36Å; F964-I973 HydrophobicContact CE2-CG2 4.26Å; F964-I973 HydrophobicContact CZ-CG1 4.38Å; F964-Y976 HydrophobicContact CB-CD2 4.04Å; F964-Y976 HydrophobicContact CB-CE2 3.7Å; F964-Y976 AromaticContact CD2-CD1 3.57Å; F964-Y976 HydrophobicContact CD2-CD1 3.57Å; F964-Y976 AromaticContact CD2-CD2 3.97Å; F964-Y976 HydrophobicContact CD2-CD2 3.97Å; F964-Y976 AromaticContact CD2-CE1 3.58Å; F964-Y976 HydrophobicContact CD2-CE1 3.58Å; F964-Y976 AromaticContact CD2-CE2 3.98Å; F964-Y976 HydrophobicContact CD2-CE2 3.98Å; F964-Y976 AromaticContact CD2-CG 3.76Å; F964-Y976 HydrophobicContact CD2-CG 3.76Å; F964-Y976 AromaticContact CD2-CZ 3.79Å; F964-Y976 HydrophobicContact CE2-CD1 4.05Å; F964-Y976 HydrophobicContact CE2-CE1 4.21Å; F964-Y976 HydrophobicContact CE2-CG 4.49Å; F964-Y976 HydrophobicContact CG-CE2 4.36Å
965E89.5Confident91Very high114 Ų11460.7 Ų60.753%0.53330%0.297SS..Hα-helixtrans-63-47.1177.1-169.2179.6168.500110.3G962 F963 S968 H969G962-E965 CarbonylContact O-C 3.59Å; G962-E965 WeakPolarHBondContact O-CA 3.44Å; G962-E965 WeakPolarHBondContact O-CB 3.47Å; G962-E965 PolarHBondContact O-N 3.12Å; G962-E965 VanDerWaalsContact O-N 3.09Å; F963-E965 VanDerWaalsContact C-N 3.3Å; F963-E965 PolarHBondContact O-N 2.98Å; E965-S968 PolarHBondContact O-N 2.82Å; E965-S968 PolarHBondContact O-OG 2.78Å; E965-H969 WeakPolarHBondContact CG-CE1 3.49Å; E965-H969 WeakPolarHBondContact CG-ND1 3.31Å; E965-H969 WeakPolarHBondContact O-CB 3.22Å; E965-H969 PolarHBondContact O-N 3.1Å; E965-H969 PolarHBondContact O-ND1 3.22Å; E965-H969 IonicContact OE1-CE1 3.71Å; E965-H969 IonicContact OE1-ND1 3.22Å
966E91.9Very high91.3Very high23 Ų2357.7 Ų57.711%0.10728%0.282CS..Hα-helixtrans-58.2-52.1178.3-168.6-175.1153.900111.6S927 I928 G962 F963 S968 H969 R970S927-E966 WeakPolarHBondContact CB-OE2 3.31Å; S927-E966 PolarHBondContact N-OE1 3.45Å; S927-E966 PolarHBondContact N-OE2 2.89Å; S927-E966 PolarHBondContact OG-OE2 3.11Å; I928-E966 HydrophobicContact CD1-CG 3.94Å; I928-E966 HydrophobicContact CG1-CG 4.19Å; I928-E966 WeakPolarHBondContact CG1-OE1 3.29Å; I928-E966 PolarHBondContact N-OE1 2.97Å; G962-E966 PolarHBondContact O-N 3.5Å; F963-E966 PolarHBondContact O-N 2.84Å; E966-S968 PolarHBondContact O-N 2.75Å; E966-H969 PolarHBondContact O-N 3.19Å; E966-R970 HydrophobicContact CG-CG 4.48Å; E966-R970 VanDerWaalsContact O-CB 3.32Å; E966-R970 WeakPolarHBondContact O-CB 3.16Å; E966-R970 WeakPolarHBondContact O-CG 3.04Å; E966-R970 PolarHBondContact O-N 3.08Å; E966-R970 IonicContact OE1-NH1 3.78Å; E966-R970 PolarHBondContact OE1-NH1 3.24Å
967C92.8Very high91.5Very high0 Ų057.6 Ų57.60%028%0.276CS..Hα-helixtrans-61.3-42.2177.7-73.10000112.4F963 Y971 S972 Y976F963-C967 VanDerWaalsContact CE2-SG 3.58Å; F963-C967 WeakPolarHBondContact O-CB 3.44Å; F963-C967 PolarHBondContact O-N 3.45Å; F963-C967 PolarHBondContact O-SG 2.75Å; F963-C967 VanDerWaalsContact O-SG 3.41Å; C967-Y971 CarbonylContact O-C 3.16Å; C967-Y971 PolarHBondContact O-N 3.07Å; C967-S972 PolarHBondContact O-N 3.21Å; C967-Y976 HydrophobicContact CB-CD2 4.47Å
968S89.6Confident91.7Very high38 Ų3856.8 Ų56.827%0.26627%0.271SS..Hα-helixtrans-72.5-32.3-176.169.50000113.5F964 E965 E966F964-S968 WeakPolarHBondContact O-CB 3.47Å; F964-S968 PolarHBondContact O-N 3.05Å; F964-S968 PolarHBondContact O-OG 2.79Å; E965-S968 PolarHBondContact O-N 2.82Å; E965-S968 PolarHBondContact O-OG 2.78Å; E966-S968 PolarHBondContact O-N 2.75Å
969H89Confident91.8Very high142 Ų14256.8 Ų56.866%0.65727%0.271SS*.Hα-helixtrans-81.6-41.2176.8-7692.7000112.7E965 E966E965-H969 WeakPolarHBondContact CG-CE1 3.49Å; E965-H969 WeakPolarHBondContact CG-ND1 3.31Å; E965-H969 WeakPolarHBondContact O-CB 3.22Å; E965-H969 PolarHBondContact O-N 3.1Å; E965-H969 PolarHBondContact O-ND1 3.22Å; E965-H969 IonicContact OE1-CE1 3.71Å; E965-H969 IonicContact OE1-ND1 3.22Å; E966-H969 PolarHBondContact O-N 3.19Å
970R90.5Very high92Very high59 Ų5949.7 Ų49.722%0.22325%0.245CC..Hα-helixtrans-82.6-36.1-176-64.617868.8-1713.1113.4I928 E929 E966I928-R970 HydrophobicContact CD1-CB 4.39Å; E929-R970 IonicContact OE1-CZ 2.92Å; E929-R970 IonicContact OE1-NH1 3.84Å; E929-R970 PolarHBondContact OE1-NH1 3.11Å; E929-R970 IonicContact OE1-NH2 3.11Å; E929-R970 PolarHBondContact OE1-NH2 3.2Å; E929-R970 IonicContact OE2-CZ 3.8Å; E929-R970 IonicContact OE2-NH1 3.47Å; E929-R970 PolarHBondContact OE2-NH1 3.26Å; E929-R970 IonicContact OE2-NH2 3.14Å; E966-R970 HydrophobicContact CG-CG 4.48Å; E966-R970 VanDerWaalsContact O-CB 3.32Å; E966-R970 WeakPolarHBondContact O-CB 3.16Å; E966-R970 WeakPolarHBondContact O-CG 3.04Å; E966-R970 PolarHBondContact O-N 3.08Å; E966-R970 IonicContact OE1-NH1 3.78Å; E966-R970 PolarHBondContact OE1-NH1 3.24Å
971Y91.8Very high92.3Very high55 Ų5549.6 Ų49.622%0.21624%0.237CC..SBendtrans-134.6-100.1-176.8-57.7-79000111.4L857 E859 I862 I928 C967 L975L857-Y971 VanDerWaalsContact O-CE1 3.28Å; L857-Y971 WeakPolarHBondContact O-CE1 3.31Å; L857-Y971 PolarHBondContact O-OH 2.82Å; E859-Y971 HydrophobicContact CB-CD1 3.93Å; I862-Y971 HydrophobicContact CD1-CD2 4.16Å; I862-Y971 HydrophobicContact CD1-CE1 4.07Å; I862-Y971 HydrophobicContact CD1-CE2 3.66Å; I928-Y971 HydrophobicContact CD1-CD2 3.76Å; I928-Y971 HydrophobicContact CD1-CE2 3.77Å; I928-Y971 HydrophobicContact CG2-CE2 4.23Å; C967-Y971 CarbonylContact O-C 3.16Å; C967-Y971 PolarHBondContact O-N 3.07Å; Y971-L975 HydrophobicContact CD2-CD2 3.74Å; Y971-L975 HydrophobicContact CG-CD2 3.76Å
972S90.9Very high92.8Very high26 Ų2644.4 Ų44.418%0.18222%0.217CC..  trans-150.6153.6-176.3900000112.9E859 C967 K974 L975 Y976E859-S972 VanDerWaalsContact OE1-CB 3.26Å; E859-S972 WeakPolarHBondContact OE1-CB 3.35Å; E859-S972 PolarHBondContact OE1-OG 3.25Å; C967-S972 PolarHBondContact O-N 3.21Å; S972-K974 PolarHBondContact O-N 3.48Å; S972-K974 VanDerWaalsContact O-N 3.17Å; S972-K974 WeakPolarHBondContact OG-CB 3.38Å; S972-K974 PolarHBondContact OG-N 3.34Å; S972-L975 WeakPolarHBondContact O-CB 3.36Å; S972-L975 PolarHBondContact O-N 2.97Å; S972-L975 VanDerWaalsContact O-N 3.14Å; S972-L975 PolarHBondContact OG-N 2.89Å; S972-Y976 PolarHBondContact O-N 2.88Å
973I91.9Very high93.3Very high53 Ų5343.3 Ų43.327%0.27221%0.205SC..Hα-helixtrans-61.2-22.8171.5-64.6164.6000111.4R684 F964 L977R684-I973 VanDerWaalsContact NH1-CD1 3.26Å; F964-I973 HydrophobicContact CE2-CG1 4.36Å; F964-I973 HydrophobicContact CE2-CG2 4.26Å; F964-I973 HydrophobicContact CZ-CG1 4.38Å; I973-L977 WeakPolarHBondContact O-CG 3.14Å; I973-L977 PolarHBondContact O-N 2.56Å
974K94.2Very high93.3Very high134 Ų13444.3 Ų44.358%0.58321%0.21SC*.Hα-helixtrans-71.5-40.8176.4-62.6-179.8176.4-178.60111.2W863 S972 Y976 L977 H978W863-K974 HydrophobicContact CZ2-CB 4.06Å; S972-K974 PolarHBondContact O-N 3.48Å; S972-K974 VanDerWaalsContact O-N 3.17Å; S972-K974 WeakPolarHBondContact OG-CB 3.38Å; S972-K974 PolarHBondContact OG-N 3.34Å; K974-Y976 VanDerWaalsContact C-N 3.3Å; K974-Y976 PolarHBondContact O-N 3.29Å; K974-L977 PolarHBondContact O-N 3.27Å; K974-H978 PolarHBondContact O-N 3.24Å
975L94.1Very high93.4Very high0 Ų042.2 Ų42.20%020%0.203CC..Hα-helixtrans-59.7-43.8175.6-176.967000110.8E859 I862 W863 I866 Y971 S972 L977 H978 F979E859-L975 HydrophobicContact CG-CD2 4.43Å; I862-L975 HydrophobicContact CB-CD1 4.06Å; I862-L975 HydrophobicContact CB-CD2 4.46Å; I862-L975 HydrophobicContact CD1-CD2 4.03Å; I862-L975 HydrophobicContact CG2-CD1 3.75Å; I862-L975 HydrophobicContact CG2-CD2 4.22Å; I862-L975 HydrophobicContact CG2-CG 4.44Å; W863-L975 HydrophobicContact CG-CD1 4.36Å; I866-L975 HydrophobicContact CD1-CD1 3.75Å; Y971-L975 HydrophobicContact CD2-CD2 3.74Å; Y971-L975 HydrophobicContact CG-CD2 3.76Å; S972-L975 WeakPolarHBondContact O-CB 3.36Å; S972-L975 PolarHBondContact O-N 2.97Å; S972-L975 VanDerWaalsContact O-N 3.14Å; S972-L975 PolarHBondContact OG-N 2.89Å; L975-L977 VanDerWaalsContact C-N 3.34Å; L975-L977 PolarHBondContact O-N 2.77Å; L975-H978 WeakPolarHBondContact O-CB 3.48Å; L975-H978 PolarHBondContact O-N 3.28Å; L975-H978 VanDerWaalsContact O-N 3.14Å; L975-F979 HydrophobicContact CD1-CE2 4.14Å; L975-F979 HydrophobicContact CD2-CE2 4.1Å; L975-F979 HydrophobicContact CG-CD2 4.06Å; L975-F979 HydrophobicContact CG-CE2 3.78Å; L975-F979 WeakPolarHBondContact O-CD2 3.31Å; L975-F979 PolarHBondContact O-N 2.66Å
976Y95.4Very high93.8Very high2 Ų236.9 Ų36.91%0.00818%0.178CC..Hα-helixtrans-55-46.4172.9169.3-98.2000112.9M955 N958 F963 F964 C967 S972 K974 H978 F979 Q980M955-Y976 HydrophobicContact CE-CE1 4.2Å; M955-Y976 WeakPolarHBondContact CG-OH 3.38Å; N958-Y976 WeakPolarHBondContact OD1-CE2 3.2Å; N958-Y976 PolarHBondContact OD1-OH 3.13Å; F963-Y976 AromaticContact CD1-CD2 3.99Å; F963-Y976 HydrophobicContact CD1-CD2 3.99Å; F963-Y976 AromaticContact CD1-CE2 3.99Å; F963-Y976 HydrophobicContact CD1-CE2 3.99Å; F963-Y976 HydrophobicContact CE1-CD2 4.16Å; F963-Y976 HydrophobicContact CE1-CE2 4.47Å; F964-Y976 HydrophobicContact CB-CD2 4.04Å; F964-Y976 HydrophobicContact CB-CE2 3.7Å; F964-Y976 AromaticContact CD2-CD1 3.57Å; F964-Y976 HydrophobicContact CD2-CD1 3.57Å; F964-Y976 AromaticContact CD2-CD2 3.97Å; F964-Y976 HydrophobicContact CD2-CD2 3.97Å; F964-Y976 AromaticContact CD2-CE1 3.58Å; F964-Y976 HydrophobicContact CD2-CE1 3.58Å; F964-Y976 AromaticContact CD2-CE2 3.98Å; F964-Y976 HydrophobicContact CD2-CE2 3.98Å; F964-Y976 AromaticContact CD2-CG 3.76Å; F964-Y976 HydrophobicContact CD2-CG 3.76Å; F964-Y976 AromaticContact CD2-CZ 3.79Å; F964-Y976 HydrophobicContact CE2-CD1 4.05Å; F964-Y976 HydrophobicContact CE2-CE1 4.21Å; F964-Y976 HydrophobicContact CE2-CG 4.49Å; F964-Y976 HydrophobicContact CG-CE2 4.36Å; C967-Y976 HydrophobicContact CB-CD2 4.47Å; S972-Y976 PolarHBondContact O-N 2.88Å; K974-Y976 VanDerWaalsContact C-N 3.3Å; K974-Y976 PolarHBondContact O-N 3.29Å; Y976-H978 VanDerWaalsContact C-N 3.28Å; Y976-H978 PolarHBondContact O-N 3.45Å; Y976-F979 WeakPolarHBondContact O-CB 3.45Å; Y976-F979 PolarHBondContact O-N 3.41Å; Y976-Q980 HydrophobicContact CD1-CG 4.45Å; Y976-Q980 HydrophobicContact CE1-CG 3.98Å; Y976-Q980 HydrophobicContact CE2-CG 4.43Å; Y976-Q980 WeakPolarHBondContact O-CG 3.27Å; Y976-Q980 PolarHBondContact O-N 3.19Å; Y976-Q980 VanDerWaalsContact O-N 3.11Å
977L94.9Very high94Very high84 Ų8435.8 Ų35.844%0.4417%0.173SC..Hα-helixtrans-64.2-35.5178.9-69.5172.8000111.9M955 I973 K974 L975 Q980 E981M955-L977 HydrophobicContact CE-CD2 4.38Å; I973-L977 WeakPolarHBondContact O-CG 3.14Å; I973-L977 PolarHBondContact O-N 2.56Å; K974-L977 PolarHBondContact O-N 3.27Å; L975-L977 VanDerWaalsContact C-N 3.34Å; L975-L977 PolarHBondContact O-N 2.77Å; L977-Q980 WeakPolarHBondContact O-CB 3.26Å; L977-Q980 PolarHBondContact O-N 3.03Å; L977-E981 PolarHBondContact O-N 3.45Å; L977-E981 VanDerWaalsContact O-N 3.14Å
978H95.6Very high94.1Very high6 Ų635.8 Ų35.83%0.02817%0.173CC..Hα-helixtrans-69.9-35.6177.2-164.543000112.1W863 I866 D867 K974 L975 Y976 Q980 E981 A982W863-H978 AromaticContact CD2-CD2 3.67Å; W863-H978 AromaticContact CE3-CD2 3.34Å; W863-H978 AromaticContact CE3-CG 3.92Å; W863-H978 AromaticContact CE3-NE2 3.46Å; W863-H978 HydrophobicContact CH2-CB 4.16Å; W863-H978 HydrophobicContact CZ2-CB 4.32Å; W863-H978 HydrophobicContact CZ3-CB 4.34Å; W863-H978 AromaticContact CZ3-CD2 3.69Å; W863-H978 AromaticContact CZ3-CG 3.78Å; W863-H978 AromaticContact CZ3-ND1 3.98Å; W863-H978 AromaticContact CZ3-NE2 3.85Å; I866-H978 HydrophobicContact CD1-CB 4.4Å; I866-H978 VanDerWaalsContact CG2-CD2 3.44Å; I866-H978 WeakPolarHBondContact CG2-CD2 3.32Å; I866-H978 WeakPolarHBondContact CG2-NE2 3.28Å; D867-H978 IonicContact OD1-CE1 2.79Å; D867-H978 PolarHBondContact OD1-CE1 3.4Å; D867-H978 IonicContact OD1-NE2 3.95Å; D867-H978 PolarHBondContact OD1-NE2 3.11Å; K974-H978 PolarHBondContact O-N 3.24Å; L975-H978 WeakPolarHBondContact O-CB 3.48Å; L975-H978 PolarHBondContact O-N 3.28Å; L975-H978 VanDerWaalsContact O-N 3.14Å; Y976-H978 VanDerWaalsContact C-N 3.28Å; Y976-H978 PolarHBondContact O-N 3.45Å; H978-Q980 VanDerWaalsContact C-N 3.31Å; H978-Q980 PolarHBondContact O-N 3.46Å; H978-E981 IonicContact CE1-OE2 3.87Å; H978-E981 IonicContact CG-OE2 3.64Å; H978-E981 IonicContact ND1-OE2 3.63Å; H978-E981 PolarHBondContact ND1-OE2 3.17Å; H978-E981 WeakPolarHBondContact O-CB 3.45Å; H978-E981 PolarHBondContact O-N 3.29Å; H978-A982 PolarHBondContact O-N 3.03Å
979F96.9Very high94.4Very high0 Ų034 Ų340%016%0.161CC..Hα-helixtrans-60.3-38.9167.2-80.8-64.9000112.5I862 I866 I928 I931 F935 F963 L975 Y976 E981 A982 F983I862-F979 HydrophobicContact CG2-CE1 4.34Å; I862-F979 HydrophobicContact CG2-CE2 3.94Å; I862-F979 HydrophobicContact CG2-CZ 3.45Å; I862-F979 VanDerWaalsContact CG2-CZ 3.45Å; I866-F979 HydrophobicContact CD1-CD1 3.65Å; I866-F979 HydrophobicContact CD1-CD2 3.95Å; I866-F979 HydrophobicContact CD1-CE1 3.58Å; I866-F979 HydrophobicContact CD1-CE2 3.92Å; I866-F979 HydrophobicContact CD1-CG 3.82Å; I866-F979 HydrophobicContact CD1-CZ 3.74Å; I866-F979 HydrophobicContact CG1-CD1 3.84Å; I866-F979 HydrophobicContact CG1-CE1 3.63Å; I866-F979 HydrophobicContact CG1-CG 4.49Å; I866-F979 HydrophobicContact CG1-CZ 4.17Å; I928-F979 HydrophobicContact CG2-CZ 4.46Å; I931-F979 HydrophobicContact CG1-CE1 4.46Å; I931-F979 HydrophobicContact CG2-CD1 4.15Å; I931-F979 HydrophobicContact CG2-CE1 3.56Å; I931-F979 HydrophobicContact CG2-CZ 3.94Å; F935-F979 HydrophobicContact CD2-CD1 4.44Å; F935-F979 HydrophobicContact CD2-CE1 4.23Å; F935-F979 AromaticContact CE2-CD1 3.82Å; F935-F979 HydrophobicContact CE2-CD1 3.82Å; F935-F979 HydrophobicContact CE2-CE1 4.06Å; F963-F979 HydrophobicContact CE1-CB 3.85Å; F963-F979 HydrophobicContact CE1-CD2 4.23Å; F963-F979 HydrophobicContact CE1-CG 4.12Å; F963-F979 HydrophobicContact CZ-CB 3.94Å; F963-F979 HydrophobicContact CZ-CD1 4.19Å; F963-F979 AromaticContact CZ-CD2 3.6Å; F963-F979 HydrophobicContact CZ-CD2 3.6Å; F963-F979 HydrophobicContact CZ-CE2 4.06Å; F963-F979 AromaticContact CZ-CG 3.67Å; F963-F979 HydrophobicContact CZ-CG 3.67Å; L975-F979 HydrophobicContact CD1-CE2 4.14Å; L975-F979 HydrophobicContact CD2-CE2 4.1Å; L975-F979 HydrophobicContact CG-CD2 4.06Å; L975-F979 HydrophobicContact CG-CE2 3.78Å; L975-F979 WeakPolarHBondContact O-CD2 3.31Å; L975-F979 PolarHBondContact O-N 2.66Å; Y976-F979 WeakPolarHBondContact O-CB 3.45Å; Y976-F979 PolarHBondContact O-N 3.41Å; F979-E981 VanDerWaalsContact C-N 3.33Å; F979-E981 PolarHBondContact O-N 3.45Å; F979-A982 PolarHBondContact O-N 3.42Å; F979-F983 HydrophobicContact CB-CE2 4.29Å; F979-F983 HydrophobicContact CB-CZ 4.33Å; F979-F983 WeakPolarHBondContact O-CD2 3.46Å; F979-F983 VanDerWaalsContact O-CG 3.23Å; F979-F983 WeakPolarHBondContact O-CG 2.89Å; F979-F983 PolarHBondContact O-N 2.93Å
980Q95.5Very high94.8Very high8 Ų827.3 Ų27.34%0.03713%0.129CC..Hα-helixtrans-63.1-38.8176.3-59.6-52.3-57.600112.2M955 N958 Y976 L977 H978 A982 F983 D984M955-Q980 HydrophobicContact CG-CG 4.41Å; N958-Q980 PolarHBondContact ND2-NE2 3.22Å; N958-Q980 PolarHBondContact ND2-OE1 3.14Å; N958-Q980 PolarHBondContact OD1-NE2 3.28Å; N958-Q980 VanDerWaalsContact OD1-NE2 3.17Å; Y976-Q980 HydrophobicContact CD1-CG 4.45Å; Y976-Q980 HydrophobicContact CE1-CG 3.98Å; Y976-Q980 HydrophobicContact CE2-CG 4.43Å; Y976-Q980 WeakPolarHBondContact O-CG 3.27Å; Y976-Q980 PolarHBondContact O-N 3.19Å; Y976-Q980 VanDerWaalsContact O-N 3.11Å; L977-Q980 WeakPolarHBondContact O-CB 3.26Å; L977-Q980 PolarHBondContact O-N 3.03Å; H978-Q980 VanDerWaalsContact C-N 3.31Å; H978-Q980 PolarHBondContact O-N 3.46Å; Q980-A982 VanDerWaalsContact C-N 3.28Å; Q980-A982 PolarHBondContact O-N 3.17Å; Q980-F983 PolarHBondContact O-N 3.19Å; Q980-D984 PolarHBondContact O-N 3.06Å
981E94.5Very high95.2Very high110 Ų11024.7 Ų24.751%0.51412%0.12SC..Hα-helixtrans-59.3-41174.4-67.4169.1176.700111.3I870 L977 H978 F979 C985I870-E981 HydrophobicContact CD1-CB 4.34Å; L977-E981 PolarHBondContact O-N 3.45Å; L977-E981 VanDerWaalsContact O-N 3.14Å; H978-E981 IonicContact CE1-OE2 3.87Å; H978-E981 IonicContact CG-OE2 3.64Å; H978-E981 IonicContact ND1-OE2 3.63Å; H978-E981 PolarHBondContact ND1-OE2 3.17Å; H978-E981 WeakPolarHBondContact O-CB 3.45Å; H978-E981 PolarHBondContact O-N 3.29Å; F979-E981 VanDerWaalsContact C-N 3.33Å; F979-E981 PolarHBondContact O-N 3.45Å; E981-C985 PolarHBondContact O-SG 3.35Å
982A96Very high95.4Very high0 Ų022.1 Ų22.10%011%0.11CC..Hα-helixtrans-70.5-37.1174.800000113.4I866 I870 F935 H978 F979 Q980 D984 C985 L986I866-A982 HydrophobicContact CG2-CB 3.8Å; I870-A982 HydrophobicContact CD1-CB 4.21Å; I870-A982 HydrophobicContact CG1-CB 3.74Å; F935-A982 HydrophobicContact CE2-CB 3.6Å; F935-A982 HydrophobicContact CZ-CB 3.63Å; H978-A982 PolarHBondContact O-N 3.03Å; F979-A982 PolarHBondContact O-N 3.42Å; Q980-A982 VanDerWaalsContact C-N 3.28Å; Q980-A982 PolarHBondContact O-N 3.17Å; A982-D984 VanDerWaalsContact C-N 3.31Å; A982-D984 PolarHBondContact O-N 3.22Å; A982-C985 CarbonylContact O-C 3.4Å; A982-C985 WeakPolarHBondContact O-CA 3.38Å; A982-C985 WeakPolarHBondContact O-CB 3.32Å; A982-C985 PolarHBondContact O-N 3.21Å; A982-L986 PolarHBondContact O-N 3.12Å
983F96.8Very high95.5Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-63.9-36.2175.8-66-23.2000112.9V921 I931 F935 R949 E953 F963 F979 Q980 C985 L986V921-F983 HydrophobicContact CG1-CZ 3.97Å; V921-F983 HydrophobicContact CG2-CZ 4.46Å; I931-F983 HydrophobicContact CD1-CE1 3.73Å; I931-F983 HydrophobicContact CD1-CZ 4.46Å; I931-F983 HydrophobicContact CG1-CE1 3.69Å; I931-F983 HydrophobicContact CG1-CZ 4.12Å; F935-F983 HydrophobicContact CZ-CD1 4.03Å; F935-F983 AromaticContact CZ-CE1 3.94Å; F935-F983 HydrophobicContact CZ-CE1 3.94Å; R949-F983 PolarHBondContact NE-O 3.04Å; R949-F983 PolarHBondContact NH1-O 2.76Å; E953-F983 HydrophobicContact CB-CB 4.15Å; E953-F983 HydrophobicContact CB-CD1 4.05Å; E953-F983 HydrophobicContact CB-CD2 4.15Å; E953-F983 HydrophobicContact CB-CE1 4.47Å; E953-F983 HydrophobicContact CB-CG 3.88Å; E953-F983 HydrophobicContact CG-CD1 3.84Å; E953-F983 HydrophobicContact CG-CD2 4.45Å; E953-F983 HydrophobicContact CG-CE1 3.85Å; E953-F983 HydrophobicContact CG-CE2 4.46Å; E953-F983 HydrophobicContact CG-CG 4.16Å; E953-F983 HydrophobicContact CG-CZ 4.18Å; E953-F983 WeakPolarHBondContact O-CB 3.39Å; F963-F983 HydrophobicContact CD1-CE2 4.13Å; F963-F983 AromaticContact CE1-CE2 3.6Å; F963-F983 HydrophobicContact CE1-CE2 3.6Å; F963-F983 AromaticContact CE1-CZ 3.8Å; F963-F983 HydrophobicContact CE1-CZ 3.8Å; F963-F983 HydrophobicContact CZ-CE2 4.36Å; F963-F983 HydrophobicContact CZ-CZ 4.11Å; F979-F983 HydrophobicContact CB-CE2 4.29Å; F979-F983 HydrophobicContact CB-CZ 4.33Å; F979-F983 WeakPolarHBondContact O-CD2 3.46Å; F979-F983 VanDerWaalsContact O-CG 3.23Å; F979-F983 WeakPolarHBondContact O-CG 2.89Å; F979-F983 PolarHBondContact O-N 2.93Å; Q980-F983 PolarHBondContact O-N 3.19Å; F983-C985 PolarHBondContact O-N 2.88Å; F983-L986 HydrophobicContact CB-CD1 4.41Å; F983-L986 HydrophobicContact CD1-CD1 3.81Å; F983-L986 WeakPolarHBondContact O-CB 3.34Å; F983-L986 PolarHBondContact O-N 3.23Å
984D94.8Very high95.5Very high21 Ų2127.4 Ų27.411%0.11213%0.133CC..Hα-helixtrans-63.8-25.8173.3-68.5-18.9000112.4R949 Q980 A982 P1019 V1020 Q1021R949-D984 IonicContact CZ-OD1 3.33Å; R949-D984 IonicContact NH1-OD1 2.59Å; R949-D984 IonicContact NH2-OD1 2.63Å; R949-D984 PolarHBondContact NH2-OD1 3Å; Q980-D984 PolarHBondContact O-N 3.06Å; A982-D984 VanDerWaalsContact C-N 3.31Å; A982-D984 PolarHBondContact O-N 3.22Å; D984-P1019 HydrophobicContact CB-CB 3.62Å; D984-P1019 WeakPolarHBondContact O-CA 3.4Å; D984-V1020 PolarHBondContact O-N 2.78Å; D984-Q1021 PolarHBondContact OD1-NE2 3.27Å; D984-Q1021 PolarHBondContact OD2-NE2 3.42Å
985C95.4Very high95.5Very high12 Ų1224.7 Ų24.78%0.08112%0.119CC..THydrogen-bonded Turntrans-87.814.1173.9-56.50000113.4L873 E981 A982 F983 R1018L873-C985 HydrophobicContact CB-CB 4.35Å; L873-C985 VanDerWaalsContact CB-O 3.25Å; L873-C985 WeakPolarHBondContact CB-O 3.44Å; E981-C985 PolarHBondContact O-SG 3.35Å; A982-C985 CarbonylContact O-C 3.4Å; A982-C985 WeakPolarHBondContact O-CA 3.38Å; A982-C985 WeakPolarHBondContact O-CB 3.32Å; A982-C985 PolarHBondContact O-N 3.21Å; F983-C985 PolarHBondContact O-N 2.88Å; C985-R1018 PolarHBondContact O-NH1 2.88Å
986L96.3Very high95.6Very high1 Ų125 Ų251%0.00512%0.12CC..  trans-86.9137.9175.9-75.6169.9000112.2L873 F935 I947 R949 E953 A982 F983 R1018L873-L986 HydrophobicContact CD1-CD2 3.8Å; L873-L986 HydrophobicContact CD1-CG 4.42Å; L873-L986 HydrophobicContact CD2-CD2 3.98Å; F935-L986 HydrophobicContact CE1-CD2 4.34Å; I947-L986 HydrophobicContact CD1-CD2 3.7Å; I947-L986 HydrophobicContact CG1-CD2 3.76Å; R949-L986 HydrophobicContact CB-CB 3.66Å; R949-L986 HydrophobicContact CB-CD1 4.27Å; R949-L986 HydrophobicContact CG-CB 4.01Å; R949-L986 HydrophobicContact CG-CD1 4.11Å; E953-L986 HydrophobicContact CB-CD1 4.07Å; E953-L986 HydrophobicContact CG-CD1 3.89Å; A982-L986 PolarHBondContact O-N 3.12Å; F983-L986 HydrophobicContact CB-CD1 4.41Å; F983-L986 HydrophobicContact CD1-CD1 3.81Å; F983-L986 WeakPolarHBondContact O-CB 3.34Å; F983-L986 PolarHBondContact O-N 3.23Å; L986-R1018 VanDerWaalsContact O-CD 3.24Å; L986-R1018 WeakPolarHBondContact O-CD 3.46Å; L986-R1018 PolarHBondContact O-NH1 3.02Å
987P96.2Very high95.7Very high0 Ų024.9 Ų24.90%012%0.12CC..  trans-64156.5170.7-19.130.3000111.1D876 V880 I947 L948 R949 R1018D876-P987 HydrophobicContact CB-CG 4.03Å; V880-P987 HydrophobicContact CG2-CB 3.49Å; V880-P987 VanDerWaalsContact CG2-CB 3.49Å; V880-P987 HydrophobicContact CG2-CG 3.62Å; I947-P987 WeakPolarHBondContact O-CD 3.35Å; L948-P987 CarbonylContact C-O 3.45Å; L948-P987 WeakPolarHBondContact CA-O 3.49Å; L948-P987 HydrophobicContact CD2-CB 3.92Å; R949-P987 WeakPolarHBondContact CB-O 3.38Å; R949-P987 PolarHBondContact N-O 3.17Å; P987-R1018 VanDerWaalsContact CD-NH1 3.28Å
988V95.5Very high95.8Very high1 Ų120.9 Ų20.91%0.00610%0.099CC..  trans-107.9-24.5-172.5-179.60000112.1T878 L1028 L1031 L1032T878-V988 HydrophobicContact CG2-CB 4.01Å; T878-V988 HydrophobicContact CG2-CG2 4Å; T878-V988 PolarHBondContact O-N 3.13Å; V988-L1028 HydrophobicContact CB-CD2 4.33Å; V988-L1028 HydrophobicContact CG1-CD2 4.11Å; V988-L1028 HydrophobicContact CG2-CD2 3.83Å; V988-L1031 HydrophobicContact CG1-CB 3.84Å; V988-L1031 HydrophobicContact CG1-CD1 3.84Å; V988-L1032 HydrophobicContact CG1-CD2 4.47Å
989A97.2Very high95.9Very high1 Ų120.7 Ų20.71%0.00810%0.098CC..EExtended strand (participates in β ladder)trans-142.3158.7177.900000111.2T878 L879 V880 C998 L1013T878-A989 PolarHBondContact O-N 3.04Å; L879-A989 CarbonylContact C-O 3.52Å; L879-A989 WeakPolarHBondContact CA-O 3.39Å; L879-A989 HydrophobicContact CD1-CB 3.68Å; V880-A989 PolarHBondContact N-O 3.08Å; A989-C998 CarbonylContact C-O 3.57Å; A989-C998 WeakPolarHBondContact CA-O 3.09Å; A989-C998 WeakPolarHBondContact CB-O 3.14Å; A989-L1013 HydrophobicContact CB-CD1 4Å
990A97.3Very high95.9Very high0 Ų020.7 Ų20.70%010%0.098CC..EExtended strand (participates in β ladder)trans-129.7154.6168.300000110.7V880 V882 L915 L948 C998V880-A990 HydrophobicContact CB-CB 4.2Å; V880-A990 CarbonylContact O-C 3.44Å; V880-A990 WeakPolarHBondContact O-CA 3.31Å; V882-A990 HydrophobicContact CG2-CB 4.26Å; L915-A990 HydrophobicContact CD1-CB 3.79Å; L915-A990 HydrophobicContact CD2-CB 3.76Å; L915-A990 HydrophobicContact CG-CB 4.45Å; L948-A990 HydrophobicContact CD1-CB 4.06Å; L948-A990 HydrophobicContact CD2-CB 4.13Å; A990-C998 HydrophobicContact CB-CB 4.12Å; A990-C998 PolarHBondContact N-O 2.98Å; A990-C998 PolarHBondContact O-N 3.25Å
991L97Very high95.8Very high5 Ų520.3 Ų20.33%0.02610%0.096CC..EExtended strand (participates in β ladder)trans-123.4105.5175.2-174.369.1000108.4L879 V880 V882 K994 I996 L997 L1010 I1068L879-L991 HydrophobicContact CD1-CB 4.19Å; L879-L991 HydrophobicContact CG-CB 4.48Å; V880-L991 PolarHBondContact O-N 3.11Å; V882-L991 PolarHBondContact N-O 2.86Å; L991-K994 HydrophobicContact CD2-CB 4.36Å; L991-K994 HydrophobicContact CD2-CG 4.34Å; L991-I996 WeakPolarHBondContact CA-O 3.25Å; L991-L997 HydrophobicContact CD1-CB 4.41Å; L991-L997 HydrophobicContact CD1-CD1 4.24Å; L991-L1010 HydrophobicContact CD1-CD1 4.31Å; L991-L1010 HydrophobicContact CD2-CD1 3.97Å; L991-I1068 HydrophobicContact CD1-CG2 4.18Å
992V96.2Very high95.7Very high0 Ų015 Ų150%07%0.072CC..EExtended strand (participates in β ladder)trans-83.5120.2179.2-178.50000109.4V882 V886 I888 L915 K994 R995 I996 V1112V882-V992 HydrophobicContact CB-CG2 4.19Å; V882-V992 CarbonylContact O-C 3.56Å; V882-V992 VanDerWaalsContact O-CA 3.27Å; V882-V992 WeakPolarHBondContact O-CA 3.17Å; V886-V992 HydrophobicContact CG1-CG1 3.59Å; V886-V992 HydrophobicContact CG1-CG2 4.22Å; I888-V992 HydrophobicContact CD1-CG2 4Å; L915-V992 HydrophobicContact CD2-CG2 3.84Å; V992-K994 PolarHBondContact O-N 3.15Å; V992-R995 PolarHBondContact O-N 3.27Å; V992-I996 HydrophobicContact CB-CB 4.2Å; V992-I996 PolarHBondContact N-O 2.97Å; V992-I996 PolarHBondContact O-N 3.28Å; V992-I996 VanDerWaalsContact O-N 3.09Å; V992-V1112 HydrophobicContact CG1-CG1 4.46Å
993S93.2Very high95.7Very high44 Ų4415 Ų1531%0.3087%0.072SC..THydrogen-bonded Turntrans4732.6178.6-61.40000114.1V882 A884 R995 L1116V882-S993 PolarHBondContact O-N 3.38Å; A884-S993 WeakPolarHBondContact CB-OG 3.48Å; A884-S993 PolarHBondContact N-OG 3.34Å; S993-R995 WeakPolarHBondContact O-CG 3.46Å; S993-R995 PolarHBondContact O-N 3.08Å; S993-R995 VanDerWaalsContact O-N 3.13Å; S993-L1116 VanDerWaalsContact CB-CD2 3.43Å
994K93Very high95.5Very high146 Ų14615 Ų1564%0.6357%0.072SC*.THydrogen-bonded Turntrans628.7-177.4-57-177.4-179.7-179.60116.2L991 V992L991-K994 HydrophobicContact CD2-CB 4.36Å; L991-K994 HydrophobicContact CD2-CG 4.34Å; V992-K994 PolarHBondContact O-N 3.15Å
995R94.6Very high95.5Very high78 Ų7816.6 Ų16.629%0.2948%0.083SC..THydrogen-bonded Turntrans-125-23.6-172.9-59.3-60-73.8-169.9-1.5114.3V992 S993 D1067 I1068 D1069 M1070 L1116V992-R995 PolarHBondContact O-N 3.27Å; S993-R995 WeakPolarHBondContact O-CG 3.46Å; S993-R995 PolarHBondContact O-N 3.08Å; S993-R995 VanDerWaalsContact O-N 3.13Å; R995-D1067 IonicContact NH1-OD1 3.93Å; R995-D1067 PolarHBondContact NH1-OD1 2.7Å; R995-D1067 IonicContact NH1-OD2 2.68Å; R995-I1068 WeakPolarHBondContact O-CB 3.24Å; R995-D1069 IonicContact CZ-OD1 3.19Å; R995-D1069 IonicContact CZ-OD2 3.95Å; R995-D1069 VanDerWaalsContact CZ-OD2 3.29Å; R995-D1069 IonicContact NE-OD1 3.23Å; R995-D1069 IonicContact NE-OD2 3.06Å; R995-D1069 PolarHBondContact NE-OD2 3.37Å; R995-D1069 IonicContact NH2-OD1 3.27Å; R995-D1069 PolarHBondContact NH2-OD1 3.4Å; R995-D1069 IonicContact NH2-OD2 3.93Å; R995-D1069 PolarHBondContact NH2-OD2 3.16Å; R995-D1069 PolarHBondContact O-N 2.75Å; R995-M1070 PolarHBondContact O-N 3.17Å; R995-L1116 HydrophobicContact CB-CD1 3.87Å; R995-L1116 HydrophobicContact CG-CD1 3.68Å
996I95.6Very high95.3Very high5 Ų521 Ų213%0.02610%0.102CC..EExtended strand (participates in β ladder)trans-117.4116.1179.1-51.3174.5000108.9L991 V992 M1070 A1072 V1112L991-I996 WeakPolarHBondContact CA-O 3.25Å; V992-I996 HydrophobicContact CB-CB 4.2Å; V992-I996 PolarHBondContact N-O 2.97Å; V992-I996 PolarHBondContact O-N 3.28Å; V992-I996 VanDerWaalsContact O-N 3.09Å; I996-M1070 CarbonylContact C-O 3.42Å; I996-M1070 WeakPolarHBondContact CA-O 3.18Å; I996-M1070 HydrophobicContact CG1-CB 4.36Å; I996-M1070 HydrophobicContact CG2-CB 4.27Å; I996-A1072 HydrophobicContact CG2-CB 4.13Å; I996-V1112 HydrophobicContact CD1-CG1 3.94Å; I996-V1112 HydrophobicContact CD1-CG2 3.95Å
997L96.8Very high95.2Very high1 Ų120.9 Ų20.91%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-90.4124.9177-175.767.6000109.6L879 L991 M999 L1010 L1066 I1068 M1070 V1071 A1072L879-L997 HydrophobicContact CD1-CD1 4.09Å; L991-L997 HydrophobicContact CD1-CB 4.41Å; L991-L997 HydrophobicContact CD1-CD1 4.24Å; L997-M999 HydrophobicContact CB-CE 4.24Å; L997-M999 HydrophobicContact CD2-CE 3.85Å; L997-M999 HydrophobicContact CG-CE 3.58Å; L997-M999 WeakPolarHBondContact O-CE 3.49Å; L997-L1010 HydrophobicContact CD1-CD2 3.82Å; L997-L1010 HydrophobicContact CD2-CD2 4.25Å; L997-L1066 HydrophobicContact CD2-CD1 4.25Å; L997-I1068 HydrophobicContact CB-CD1 3.53Å; L997-I1068 HydrophobicContact CD2-CD1 4.04Å; L997-I1068 HydrophobicContact CG-CD1 4.44Å; L997-M1070 PolarHBondContact N-O 3.35Å; L997-V1071 CarbonylContact O-C 3.6Å; L997-V1071 VanDerWaalsContact O-CA 3.26Å; L997-V1071 WeakPolarHBondContact O-CA 3.45Å; L997-A1072 PolarHBondContact O-N 3.08Å
998C97.6Very high94.9Very high0 Ų023.9 Ų23.90%012%0.123CC..EExtended strand (participates in β ladder)trans-115.2133.8-174.5-58.70000111L915 L917 L948 A989 A990 A1072L915-C998 HydrophobicContact CD2-CB 3.84Å; L917-C998 HydrophobicContact CD2-CB 3.68Å; L948-C998 HydrophobicContact CD1-CB 4.45Å; A989-C998 CarbonylContact C-O 3.57Å; A989-C998 WeakPolarHBondContact CA-O 3.09Å; A989-C998 WeakPolarHBondContact CB-O 3.14Å; A990-C998 HydrophobicContact CB-CB 4.12Å; A990-C998 PolarHBondContact N-O 2.98Å; A990-C998 PolarHBondContact O-N 3.25Å; C998-A1072 VanDerWaalsContact CA-O 3.22Å; C998-A1072 WeakPolarHBondContact CA-O 3.49Å
999M97.1Very high94.8Very high1 Ų126.2 Ų26.21%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-153.7177174.167.7-129.369.900110.2L997 G1002 L1003 L1031 V1071 A1072 R1073L997-M999 HydrophobicContact CB-CE 4.24Å; L997-M999 HydrophobicContact CD2-CE 3.85Å; L997-M999 HydrophobicContact CG-CE 3.58Å; L997-M999 WeakPolarHBondContact O-CE 3.49Å; M999-G1002 VanDerWaalsContact SD-O 3.33Å; M999-L1003 HydrophobicContact SD-CD2 4.38Å; M999-L1031 HydrophobicContact SD-CD2 4.08Å; M999-V1071 HydrophobicContact CE-CG1 3.54Å; M999-V1071 HydrophobicContact SD-CG1 4.33Å; M999-A1072 PolarHBondContact N-O 3.14Å; M999-A1072 VanDerWaalsContact N-O 3.1Å; M999-R1073 VanDerWaalsContact O-CA 3.27Å; M999-R1073 WeakPolarHBondContact O-CA 3.45Å
1000H97Very high94.6Very high0 Ų027.1 Ų27.10%014%0.144CC..SBendtrans-78.5-62.9176.8-174.755.4000112.9D891 L917 D919 R949 G950 N951 L1032 A1074 H1075D891-H1000 IonicContact OD1-CE1 2.66Å; D891-H1000 PolarHBondContact OD1-CE1 2.82Å; D891-H1000 IonicContact OD1-ND1 3.79Å; D891-H1000 IonicContact OD2-CE1 2.74Å; L917-H1000 WeakPolarHBondContact O-CA 3.32Å; L917-H1000 VanDerWaalsContact O-CB 3.31Å; L917-H1000 WeakPolarHBondContact O-CB 3.37Å; D919-H1000 IonicContact OD1-CD2 3.58Å; D919-H1000 IonicContact OD1-CE1 2.84Å; D919-H1000 PolarHBondContact OD1-CE1 3.5Å; D919-H1000 IonicContact OD1-NE2 3.86Å; D919-H1000 PolarHBondContact OD1-NE2 3.24Å; D919-H1000 VanDerWaalsContact OD1-NE2 3.07Å; D919-H1000 IonicContact OD2-CE1 2.93Å; D919-H1000 PolarHBondContact OD2-CE1 3.48Å; D919-H1000 IonicContact OD2-NE2 3.86Å; D919-H1000 PolarHBondContact OD2-NE2 3.29Å; R949-H1000 WeakPolarHBondContact O-CB 3.25Å; G950-H1000 WeakPolarHBondContact CA-CD2 3.46Å; G950-H1000 VanDerWaalsContact CA-CG 3.44Å; N951-H1000 PolarHBondContact N-CD2 3Å; N951-H1000 VanDerWaalsContact N-CD2 3.29Å; N951-H1000 PolarHBondContact OD1-CD2 3.17Å; N951-H1000 VanDerWaalsContact OD1-CD2 3.24Å; N951-H1000 PolarHBondContact OD1-NE2 3.27Å; H1000-L1032 HydrophobicContact CB-CD2 4.09Å; H1000-L1032 PolarHBondContact CD2-O 3.36Å; H1000-A1074 CarbonylContact O-C 3.58Å; H1000-A1074 VanDerWaalsContact O-C 3.28Å; H1000-A1074 WeakPolarHBondContact O-CA 3.47Å; H1000-A1074 PolarHBondContact O-N 3.26Å; H1000-H1075 AromaticContact CD2-ND1 3.88Å; H1000-H1075 AromaticContact NE2-CG 3.82Å; H1000-H1075 AromaticContact NE2-ND1 3.41Å; H1000-H1075 PolarHBondContact NE2-ND1 2.83Å; H1000-H1075 WeakPolarHBondContact O-CB 3.38Å
1001G94.4Very high94.4Very high0 Ų032.5 Ų32.50%017%0.169CC..SBendtrans-82.7-99.6-177.400000111.1L1031 A1034 R1073G1001-L1031 VanDerWaalsContact CA-O 3.3Å; G1001-L1031 WeakPolarHBondContact CA-O 3.2Å; G1001-L1031 PolarHBondContact N-O 3.27Å; G1001-A1034 CarbonylContact C-O 3.58Å; G1001-R1073 VanDerWaalsContact O-CB 3.25Å; G1001-R1073 WeakPolarHBondContact O-CB 3.35Å; G1001-R1073 WeakPolarHBondContact O-CD 3.44Å; G1001-R1073 PolarHBondContact O-NE 3.11Å; G1001-R1073 VanDerWaalsContact O-NE 3.1Å; G1001-R1073 PolarHBondContact O-NH1 3.24Å
1002G92.2Very high94.2Very high0 Ų035.1 Ų35.10%018%0.181CC..  trans-160.4-159.4-173.600000113.9M999 L1031 A1034M999-G1002 VanDerWaalsContact SD-O 3.33Å; G1002-L1031 PolarHBondContact N-O 3.02Å; G1002-L1031 WeakPolarHBondContact O-CA 3.31Å; G1002-A1034 WeakPolarHBondContact CA-O 3.3Å; G1002-A1034 PolarHBondContact N-O 2.72Å; G1002-A1034 VanDerWaalsContact N-O 3.12Å
1003L94.5Very high94.1Very high0 Ų035.2 Ų35.20%018%0.182CC..  trans-77.3155.6-177.7-60.4173.7000110.8M999 A1034 W1043 F1054 V1058 V1059 F1062 V1071M999-L1003 HydrophobicContact SD-CD2 4.38Å; L1003-A1034 VanDerWaalsContact O-CB 3.26Å; L1003-A1034 WeakPolarHBondContact O-CB 3.4Å; L1003-W1043 VanDerWaalsContact C-CH2 3.46Å; L1003-W1043 HydrophobicContact CB-CH2 3.77Å; L1003-W1043 VanDerWaalsContact O-CH2 3.29Å; L1003-W1043 WeakPolarHBondContact O-CH2 3.45Å; L1003-W1043 VanDerWaalsContact O-CZ3 3.24Å; L1003-W1043 WeakPolarHBondContact O-CZ3 3.46Å; L1003-F1054 HydrophobicContact CB-CE1 4.35Å; L1003-F1054 HydrophobicContact CB-CZ 4.42Å; L1003-F1054 HydrophobicContact CD1-CE2 4.34Å; L1003-F1054 HydrophobicContact CG-CZ 4.39Å; L1003-V1058 HydrophobicContact CD1-CG1 4.44Å; L1003-V1059 HydrophobicContact CD1-CG2 4.17Å; L1003-F1062 HydrophobicContact CD1-CB 3.76Å; L1003-F1062 HydrophobicContact CD1-CD1 4.26Å; L1003-F1062 HydrophobicContact CD1-CD2 4.22Å; L1003-F1062 HydrophobicContact CD1-CG 3.81Å; L1003-F1062 HydrophobicContact CD2-CD1 4.07Å; L1003-F1062 HydrophobicContact CD2-CG 4.43Å; L1003-V1071 HydrophobicContact CD2-CG2 4.18Å
1004S94.5Very high94.1Very high0 Ų036.6 Ų36.60%018%0.18CC..  trans-113.8141.4173.3176.60000111.4Q1006 L1007 L1027 D1030 F1062S1004-Q1006 PolarHBondContact O-N 2.86Å; S1004-Q1006 PolarHBondContact OG-N 3.15Å; S1004-L1007 WeakPolarHBondContact O-CB 3.46Å; S1004-L1007 PolarHBondContact O-N 2.88Å; S1004-L1007 VanDerWaalsContact O-N 3.1Å; S1004-L1027 VanDerWaalsContact CB-CD1 3.48Å; S1004-D1030 VanDerWaalsContact CB-CB 3.43Å; S1004-D1030 WeakPolarHBondContact CB-OD2 3.34Å; S1004-D1030 PolarHBondContact OG-OD2 3.05Å; S1004-F1062 WeakPolarHBondContact O-CZ 3.38Å
1005P93.2Very high94.1Very high53 Ų5334.2 Ų34.234%0.34418%0.182SC..THydrogen-bonded Turntrans-62.2-21.2169.825.9-33.5000112.7W1043 F1052P1005-W1043 HydrophobicContact CB-CD2 4.02Å; P1005-W1043 HydrophobicContact CB-CG 4.39Å; P1005-W1043 HydrophobicContact CB-CZ2 4.05Å; P1005-W1043 HydrophobicContact CG-CD2 4.39Å; P1005-W1043 HydrophobicContact CG-CE3 4.43Å; P1005-W1043 VanDerWaalsContact N-CH2 3.33Å; P1005-F1052 HydrophobicContact CG-CD2 3.81Å; P1005-F1052 HydrophobicContact CG-CE2 3.6Å; P1005-F1052 HydrophobicContact CG-CZ 4.12Å
1006Q92.6Very high93.9Very high104 Ų10432.1 Ų32.149%0.48618%0.176SC..THydrogen-bonded Turntrans-84.7-10.7178.4-57.4-175.5300113.1S1004 S1008 Q1012 L1027S1004-Q1006 PolarHBondContact O-N 2.86Å; S1004-Q1006 PolarHBondContact OG-N 3.15Å; Q1006-S1008 PolarHBondContact O-N 3.28Å; Q1006-Q1012 PolarHBondContact O-NE2 3.5Å; Q1006-Q1012 PolarHBondContact O-OE1 3.47Å; Q1006-L1027 HydrophobicContact CB-CB 4.3Å
1007L93.1Very high93.7Very high0 Ų036.7 Ų36.70%021%0.209CC..  trans-81111.7178.3-176.863.9000109.9S1004 S1009 L1013 L1027 F1062 L1066S1004-L1007 WeakPolarHBondContact O-CB 3.46Å; S1004-L1007 PolarHBondContact O-N 2.88Å; S1004-L1007 VanDerWaalsContact O-N 3.1Å; L1007-S1009 WeakPolarHBondContact CD1-O 3.42Å; L1007-L1013 HydrophobicContact CD1-CD1 4.17Å; L1007-L1013 HydrophobicContact CD1-CD2 4.04Å; L1007-L1013 HydrophobicContact CD1-CG 3.9Å; L1007-L1027 HydrophobicContact CB-CD1 3.79Å; L1007-L1027 HydrophobicContact CD1-CD1 4.28Å; L1007-F1062 HydrophobicContact CB-CE1 3.91Å; L1007-F1062 HydrophobicContact CB-CZ 4.5Å; L1007-F1062 HydrophobicContact CD2-CE1 4.21Å; L1007-F1062 HydrophobicContact CG-CE1 4.13Å; L1007-F1062 WeakPolarHBondContact O-CE1 3.48Å; L1007-F1062 VanDerWaalsContact O-CZ 3.22Å; L1007-F1062 WeakPolarHBondContact O-CZ 3.42Å; L1007-L1066 HydrophobicContact CD2-CD1 4.15Å; L1007-L1066 HydrophobicContact CG-CD1 4.48Å
1008S90.9Very high93.4Very high63 Ų6338.8 Ų38.844%0.44122%0.216SC..  trans-118.2-27.7179.3720000113.9Q1006 Q1012 K1065Q1006-S1008 PolarHBondContact O-N 3.28Å; S1008-Q1012 PolarHBondContact OG-OE1 3.35Å; S1008-K1065 VanDerWaalsContact O-CE 3.32Å; S1008-K1065 WeakPolarHBondContact O-CE 3.28Å
1009S92.8Very high93.1Very high50 Ų5043.1 Ų43.135%0.3524%0.244SC..  trans-145.8147.2176.7174.10000110L1007 E1011 Q1012L1007-S1009 WeakPolarHBondContact CD1-O 3.42Å; S1009-E1011 PolarHBondContact O-N 2.79Å; S1009-E1011 PolarHBondContact OG-N 3.12Å; S1009-Q1012 WeakPolarHBondContact O-CB 3.33Å; S1009-Q1012 PolarHBondContact O-N 3.09Å; S1009-Q1012 VanDerWaalsContact O-N 3.11Å
1010L93Very high92.9Very high20 Ų2044.8 Ų44.811%0.10525%0.254CS..THydrogen-bonded Turntrans-63.1-22.2174.2-64.4179000112.6L879 L991 L997 Q1012 L1013 R1014 L1066L879-L1010 HydrophobicContact CD2-CB 4.06Å; L879-L1010 HydrophobicContact CD2-CD2 4.49Å; L991-L1010 HydrophobicContact CD1-CD1 4.31Å; L991-L1010 HydrophobicContact CD2-CD1 3.97Å; L997-L1010 HydrophobicContact CD1-CD2 3.82Å; L997-L1010 HydrophobicContact CD2-CD2 4.25Å; L1010-Q1012 PolarHBondContact O-N 3.43Å; L1010-L1013 HydrophobicContact CD2-CD1 4.29Å; L1010-L1013 WeakPolarHBondContact O-CB 3.49Å; L1010-L1013 PolarHBondContact O-N 2.79Å; L1010-R1014 PolarHBondContact O-N 2.8Å; L1010-L1066 HydrophobicContact CD2-CD1 4.17Å; L1010-L1066 HydrophobicContact CG-CD2 4.46Å
1011E93.1Very high92.6Very high112 Ų11249.4 Ų49.452%0.52328%0.276SS..Hα-helixtrans-61.5-27.9173.6-67.9-51.4124.200112.9S1009 L1013 R1014 S1015S1009-E1011 PolarHBondContact O-N 2.79Å; S1009-E1011 PolarHBondContact OG-N 3.12Å; E1011-L1013 PolarHBondContact O-N 3.48Å; E1011-R1014 PolarHBondContact O-N 2.92Å; E1011-R1014 IonicContact OE1-CZ 3.8Å; E1011-R1014 IonicContact OE1-NE 3.1Å; E1011-R1014 IonicContact OE1-NH1 3.11Å; E1011-R1014 PolarHBondContact OE1-NH1 3.47Å; E1011-S1015 PolarHBondContact O-N 3.19Å; E1011-S1015 VanDerWaalsContact O-N 3.09Å; E1011-S1015 PolarHBondContact O-OG 2.94Å
1012Q93.7Very high92.4Very high60 Ų6050.6 Ų50.628%0.2828%0.282SS..Hα-helixtrans-64.2-30174.3-68.1174.7-9600112.1Q1006 S1008 S1009 L1010 S1015 I1016 L1027Q1006-Q1012 PolarHBondContact O-NE2 3.5Å; Q1006-Q1012 PolarHBondContact O-OE1 3.47Å; S1008-Q1012 PolarHBondContact OG-OE1 3.35Å; S1009-Q1012 WeakPolarHBondContact O-CB 3.33Å; S1009-Q1012 PolarHBondContact O-N 3.09Å; S1009-Q1012 VanDerWaalsContact O-N 3.11Å; L1010-Q1012 PolarHBondContact O-N 3.43Å; Q1012-S1015 PolarHBondContact O-OG 3.31Å; Q1012-I1016 WeakPolarHBondContact O-CG1 3.42Å; Q1012-L1027 HydrophobicContact CB-CD2 4.21Å
1013L93.6Very high92.3Very high2 Ų253.2 Ų53.21%0.0130%0.299CS..Hα-helixtrans-79.3-40176.6-56.9179.9000110.8T878 L879 A989 L1007 L1010 E1011 S1015 I1016 L1027 L1031T878-L1013 WeakPolarHBondContact CB-O 3.23Å; L879-L1013 HydrophobicContact CB-CB 3.96Å; L879-L1013 HydrophobicContact CD1-CD1 4.17Å; L879-L1013 HydrophobicContact CD2-CB 4.5Å; A989-L1013 HydrophobicContact CB-CD1 4Å; L1007-L1013 HydrophobicContact CD1-CD1 4.17Å; L1007-L1013 HydrophobicContact CD1-CD2 4.04Å; L1007-L1013 HydrophobicContact CD1-CG 3.9Å; L1010-L1013 HydrophobicContact CD2-CD1 4.29Å; L1010-L1013 WeakPolarHBondContact O-CB 3.49Å; L1010-L1013 PolarHBondContact O-N 2.79Å; E1011-L1013 PolarHBondContact O-N 3.48Å; L1013-S1015 VanDerWaalsContact C-N 3.25Å; L1013-S1015 PolarHBondContact O-N 2.98Å; L1013-I1016 HydrophobicContact CD2-CD1 4.39Å; L1013-I1016 PolarHBondContact O-N 3.15Å; L1013-L1027 HydrophobicContact CD2-CD1 4.39Å; L1013-L1027 HydrophobicContact CD2-CD2 4.08Å; L1013-L1027 HydrophobicContact CD2-CG 4.36Å; L1013-L1031 HydrophobicContact CD2-CD1 3.43Å; L1013-L1031 VanDerWaalsContact CD2-CD1 3.43Å
1014R93.2Very high91.9Very high74 Ų7460.2 Ų60.228%0.27934%0.337SS..Hα-helixtrans-62.3-31.6178.2-67.2-173177.795.73.8112.9L879 E881 L1010 E1011L879-R1014 HydrophobicContact CB-CG 4.12Å; L879-R1014 HydrophobicContact CD2-CG 4.01Å; E881-R1014 IonicContact OE1-CZ 2.83Å; E881-R1014 IonicContact OE1-NE 3.08Å; E881-R1014 IonicContact OE1-NH2 2.81Å; E881-R1014 PolarHBondContact OE1-NH2 3.37Å; L1010-R1014 PolarHBondContact O-N 2.8Å; E1011-R1014 PolarHBondContact O-N 2.92Å; E1011-R1014 IonicContact OE1-CZ 3.8Å; E1011-R1014 IonicContact OE1-NE 3.1Å; E1011-R1014 IonicContact OE1-NH1 3.11Å; E1011-R1014 PolarHBondContact OE1-NH1 3.47Å
1015S91.9Very high91.6Very high95 Ų9566.1 Ų66.166%0.66437%0.368SS*.THydrogen-bonded Turntrans-82.1-8.3-177.4650000115.1E1011 Q1012 L1013 S1017E1011-S1015 PolarHBondContact O-N 3.19Å; E1011-S1015 VanDerWaalsContact O-N 3.09Å; E1011-S1015 PolarHBondContact O-OG 2.94Å; Q1012-S1015 PolarHBondContact O-OG 3.31Å; L1013-S1015 VanDerWaalsContact C-N 3.25Å; L1013-S1015 PolarHBondContact O-N 2.98Å; S1015-S1017 PolarHBondContact O-N 2.74Å
1016I91.2Very high91.5Very high35 Ų3564.2 Ų64.218%0.17936%0.358CS..  trans-72.9120.8177.7-63.2168.5000109.1T878 Q1012 L1013 V1020 L1027 L1028T878-I1016 HydrophobicContact CG2-CB 3.96Å; T878-I1016 HydrophobicContact CG2-CD1 4.43Å; T878-I1016 HydrophobicContact CG2-CG2 4.08Å; T878-I1016 PolarHBondContact OG1-O 3.19Å; Q1012-I1016 WeakPolarHBondContact O-CG1 3.42Å; L1013-I1016 HydrophobicContact CD2-CD1 4.39Å; L1013-I1016 PolarHBondContact O-N 3.15Å; I1016-V1020 HydrophobicContact CG2-CG1 4.43Å; I1016-L1027 HydrophobicContact CD1-CD2 4.4Å; I1016-L1028 HydrophobicContact CD1-CD2 3.84Å; I1016-L1028 HydrophobicContact CD1-CG 4.18Å; I1016-L1028 HydrophobicContact CG2-CD1 4.32Å; I1016-L1028 HydrophobicContact CG2-CD2 4.42Å
1017S90.6Very high91.6Very high101 Ų10160.3 Ų60.371%0.70634%0.34SS*.  trans-82.6146.5174.559.10000111.6S1015S1015-S1017 PolarHBondContact O-N 2.74Å
1018R91.4Very high91.6Very high45 Ų4561.1 Ų61.117%0.1735%0.345CS..SBendtrans-128.6147178.4-59.3-179.5-62.3116.29108.8L873 D876 T878 C985 L986 P987 V1020L873-R1018 PolarHBondContact O-NH2 3.12Å; D876-R1018 PolarHBondContact O-NH2 2.9Å; T878-R1018 WeakPolarHBondContact OG1-CD 3.49Å; T878-R1018 VanDerWaalsContact OG1-CG 3.31Å; T878-R1018 WeakPolarHBondContact OG1-CG 3.4Å; T878-R1018 PolarHBondContact OG1-NE 2.98Å; T878-R1018 VanDerWaalsContact OG1-NE 3.12Å; C985-R1018 PolarHBondContact O-NH1 2.88Å; L986-R1018 VanDerWaalsContact O-CD 3.24Å; L986-R1018 WeakPolarHBondContact O-CD 3.46Å; L986-R1018 PolarHBondContact O-NH1 3.02Å; P987-R1018 VanDerWaalsContact CD-NH1 3.28Å; R1018-V1020 HydrophobicContact CG-CG1 4.13Å
1019P91.5Very high91.7Very high90 Ų9058.2 Ų58.258%0.58433%0.325SS*.SBendcis-69.8142.38.125.4-33.2000114.5D984D984-P1019 HydrophobicContact CB-CB 3.62Å; D984-P1019 WeakPolarHBondContact O-CA 3.4Å
1020V91.7Very high91.9Very high36 Ų3655.9 Ų55.922%0.21831%0.308CS..  trans-140.4138.7179.166.30000110.9R949 D984 I1016 R1018 L1028R949-V1020 PolarHBondContact NH1-O 2.93Å; D984-V1020 PolarHBondContact O-N 2.78Å; I1016-V1020 HydrophobicContact CG2-CG1 4.43Å; R1018-V1020 HydrophobicContact CG-CG1 4.13Å; V1020-L1028 HydrophobicContact CG1-CD1 4.14Å; V1020-L1028 HydrophobicContact CG2-CD1 3.99Å
1021Q90.8Very high92Very high97 Ų9755 Ų5545%0.45330%0.304SS..PPolyproline II helixtrans-87137.9170.8-75.1-78.2-23.700109.4D984 P1023D984-Q1021 PolarHBondContact OD1-NE2 3.27Å; D984-Q1021 PolarHBondContact OD2-NE2 3.42Å; Q1021-P1023 WeakPolarHBondContact O-CD 3.45Å
1022I90.7Very high92.1Very high26 Ų2649.7 Ų49.713%0.13328%0.279CS..PPolyproline II helixtrans-74.5122.3-177-55.8-56.9000109.6C954 L1028 L1032C954-I1022 VanDerWaalsContact SG-CG1 3.58Å; I1022-L1028 HydrophobicContact CD1-CB 4.21Å; I1022-L1028 HydrophobicContact CD1-CD1 4.34Å; I1022-L1028 HydrophobicContact CD1-CD2 4.42Å; I1022-L1032 HydrophobicContact CB-CD1 4.24Å; I1022-L1032 HydrophobicContact CD1-CD1 3.57Å; I1022-L1032 HydrophobicContact CG1-CD1 3.53Å; I1022-L1032 HydrophobicContact CG2-CD1 3.72Å
1023P90.6Very high92.1Very high55 Ų5548.8 Ų48.836%0.35727%0.273SS..PPolyproline II helixtrans-68.8163.4175.629.8-35000111.6Q1021 D1025 L1028 C1029Q1021-P1023 WeakPolarHBondContact O-CD 3.45Å; P1023-D1025 VanDerWaalsContact CG-O 3.28Å; P1023-D1025 WeakPolarHBondContact CG-O 3.21Å; P1023-D1025 PolarHBondContact O-N 3.21Å; P1023-L1028 HydrophobicContact CG-CB 4.29Å; P1023-C1029 WeakPolarHBondContact O-CB 3.35Å
1024N85.1Confident92.1Very high147 Ų14748.7 Ų48.779%0.78627%0.272SS*.SBendtrans-70.1-20.9177.7-66.3-28.1000112.8C1029N1024-C1029 PolarHBondContact O-SG 3.23Å
1025D88.4Confident92.1Very high124 Ų12445.4 Ų45.466%0.66326%0.26SS*.SBendtrans-143.2163-178.563.6-29.3000112.2P1023P1023-D1025 VanDerWaalsContact CG-O 3.28Å; P1023-D1025 WeakPolarHBondContact CG-O 3.21Å; P1023-D1025 PolarHBondContact O-N 3.21Å
1026G91.8Very high92.2Very high13 Ų1341.6 Ų41.613%0.13423%0.233CC..SBendtrans94.7-174.4176.900000115L1028 C1029 D1030G1026-L1028 VanDerWaalsContact C-N 3.34Å; G1026-L1028 PolarHBondContact O-N 3.48Å; G1026-L1028 VanDerWaalsContact O-N 3.15Å; G1026-C1029 WeakPolarHBondContact O-CB 2.95Å; G1026-C1029 PolarHBondContact O-N 3.22Å; G1026-D1030 VanDerWaalsContact O-CG 3.26Å; G1026-D1030 PolarHBondContact O-N 3.36Å
1027L94Very high92.3Very high21 Ų2142.3 Ų42.311%0.1124%0.237CC..Hα-helixtrans-47.5-47.8-169.5179.158.1000114.5S1004 Q1006 L1007 Q1012 L1013 I1016 D1030 L1031S1004-L1027 VanDerWaalsContact CB-CD1 3.48Å; Q1006-L1027 HydrophobicContact CB-CB 4.3Å; L1007-L1027 HydrophobicContact CB-CD1 3.79Å; L1007-L1027 HydrophobicContact CD1-CD1 4.28Å; Q1012-L1027 HydrophobicContact CB-CD2 4.21Å; L1013-L1027 HydrophobicContact CD2-CD1 4.39Å; L1013-L1027 HydrophobicContact CD2-CD2 4.08Å; L1013-L1027 HydrophobicContact CD2-CG 4.36Å; I1016-L1027 HydrophobicContact CD1-CD2 4.4Å; L1027-D1030 PolarHBondContact O-N 3.12Å; L1027-L1031 HydrophobicContact CD1-CD1 4.07Å; L1027-L1031 HydrophobicContact CD1-CG 4.21Å; L1027-L1031 HydrophobicContact CG-CD1 4.21Å; L1027-L1031 VanDerWaalsContact O-CG 3.29Å; L1027-L1031 WeakPolarHBondContact O-CG 3.49Å; L1027-L1031 PolarHBondContact O-N 3.3Å; L1027-L1031 VanDerWaalsContact O-N 3.08Å
1028L93.7Very high92.1Very high18 Ų1843.4 Ų43.49%0.09423%0.229CC..Hα-helixtrans-67.8-39-179.4-79.5178.3000113.1V988 I1016 V1020 I1022 P1023 G1026 D1030 L1032V988-L1028 HydrophobicContact CB-CD2 4.33Å; V988-L1028 HydrophobicContact CG1-CD2 4.11Å; V988-L1028 HydrophobicContact CG2-CD2 3.83Å; I1016-L1028 HydrophobicContact CD1-CD2 3.84Å; I1016-L1028 HydrophobicContact CD1-CG 4.18Å; I1016-L1028 HydrophobicContact CG2-CD1 4.32Å; I1016-L1028 HydrophobicContact CG2-CD2 4.42Å; V1020-L1028 HydrophobicContact CG1-CD1 4.14Å; V1020-L1028 HydrophobicContact CG2-CD1 3.99Å; I1022-L1028 HydrophobicContact CD1-CB 4.21Å; I1022-L1028 HydrophobicContact CD1-CD1 4.34Å; I1022-L1028 HydrophobicContact CD1-CD2 4.42Å; P1023-L1028 HydrophobicContact CG-CB 4.29Å; G1026-L1028 VanDerWaalsContact C-N 3.34Å; G1026-L1028 PolarHBondContact O-N 3.48Å; G1026-L1028 VanDerWaalsContact O-N 3.15Å; L1028-D1030 VanDerWaalsContact C-N 3.31Å; L1028-L1032 WeakPolarHBondContact O-CD1 3.43Å; L1028-L1032 WeakPolarHBondContact O-CG 3.47Å
1029C93.8Very high91.8Very high2 Ų252.3 Ų52.31%0.01426%0.263CS..Hα-helixtrans-62.8-44.7173.9-176.10000109.5P1023 N1024 G1026 L1031 L1032 W1033P1023-C1029 WeakPolarHBondContact O-CB 3.35Å; N1024-C1029 PolarHBondContact O-SG 3.23Å; G1026-C1029 WeakPolarHBondContact O-CB 2.95Å; G1026-C1029 PolarHBondContact O-N 3.22Å; C1029-L1031 PolarHBondContact O-N 2.69Å; C1029-L1032 PolarHBondContact O-N 3.25Å; C1029-L1032 VanDerWaalsContact O-N 3.14Å; C1029-W1033 WeakPolarHBondContact O-CB 3.39Å; C1029-W1033 VanDerWaalsContact O-CD1 3.27Å; C1029-W1033 PolarHBondContact O-N 3.34Å
1030D95.2Very high91.5Very high1 Ų150 Ų501%0.00525%0.246CC..Hα-helixtrans-64.4-41.8-176.2-62.3-27.4000113.8S1004 G1026 L1027 L1028 L1032 W1033 A1034 S1051S1004-D1030 VanDerWaalsContact CB-CB 3.43Å; S1004-D1030 WeakPolarHBondContact CB-OD2 3.34Å; S1004-D1030 PolarHBondContact OG-OD2 3.05Å; G1026-D1030 VanDerWaalsContact O-CG 3.26Å; G1026-D1030 PolarHBondContact O-N 3.36Å; L1027-D1030 PolarHBondContact O-N 3.12Å; L1028-D1030 VanDerWaalsContact C-N 3.31Å; D1030-L1032 PolarHBondContact O-N 3.32Å; D1030-L1032 VanDerWaalsContact O-N 3.1Å; D1030-W1033 PolarHBondContact O-N 2.67Å; D1030-A1034 WeakPolarHBondContact O-CB 3.47Å; D1030-A1034 PolarHBondContact O-N 3.06Å; D1030-S1051 WeakPolarHBondContact CA-OG 3.47Å; D1030-S1051 WeakPolarHBondContact CB-OG 3.19Å; D1030-S1051 VanDerWaalsContact CG-OG 3.32Å; D1030-S1051 WeakPolarHBondContact OD1-CB 3.3Å; D1030-S1051 PolarHBondContact OD1-OG 2.89Å
1031L95.6Very high91.3Very high2 Ų256.8 Ų56.81%0.0127%0.272CS..Hα-helixtrans-62.8-19.2177.7-66.8167.9000113.7V988 M999 G1001 G1002 L1013 L1027 C1029V988-L1031 HydrophobicContact CG1-CB 3.84Å; V988-L1031 HydrophobicContact CG1-CD1 3.84Å; M999-L1031 HydrophobicContact SD-CD2 4.08Å; G1001-L1031 VanDerWaalsContact CA-O 3.3Å; G1001-L1031 WeakPolarHBondContact CA-O 3.2Å; G1001-L1031 PolarHBondContact N-O 3.27Å; G1002-L1031 PolarHBondContact N-O 3.02Å; G1002-L1031 WeakPolarHBondContact O-CA 3.31Å; L1013-L1031 HydrophobicContact CD2-CD1 3.43Å; L1013-L1031 VanDerWaalsContact CD2-CD1 3.43Å; L1027-L1031 HydrophobicContact CD1-CD1 4.07Å; L1027-L1031 HydrophobicContact CD1-CG 4.21Å; L1027-L1031 HydrophobicContact CG-CD1 4.21Å; L1027-L1031 VanDerWaalsContact O-CG 3.29Å; L1027-L1031 WeakPolarHBondContact O-CG 3.49Å; L1027-L1031 PolarHBondContact O-N 3.3Å; L1027-L1031 VanDerWaalsContact O-N 3.08Å; C1029-L1031 PolarHBondContact O-N 2.69Å
1032L94.8Very high91.4Very high0 Ų053 Ų530%026%0.259CS..Hα-helixtrans-103.9-21.7-178.4-63.8170.2000113.2R949 N951 V988 H1000 I1022 L1028 C1029 D1030R949-L1032 HydrophobicContact CB-CD2 4.34Å; R949-L1032 WeakPolarHBondContact O-CD2 3.08Å; N951-L1032 HydrophobicContact CB-CB 4.39Å; V988-L1032 HydrophobicContact CG1-CD2 4.47Å; H1000-L1032 HydrophobicContact CB-CD2 4.09Å; H1000-L1032 PolarHBondContact CD2-O 3.36Å; I1022-L1032 HydrophobicContact CB-CD1 4.24Å; I1022-L1032 HydrophobicContact CD1-CD1 3.57Å; I1022-L1032 HydrophobicContact CG1-CD1 3.53Å; I1022-L1032 HydrophobicContact CG2-CD1 3.72Å; L1028-L1032 WeakPolarHBondContact O-CD1 3.43Å; L1028-L1032 WeakPolarHBondContact O-CG 3.47Å; C1029-L1032 PolarHBondContact O-N 3.25Å; C1029-L1032 VanDerWaalsContact O-N 3.14Å; D1030-L1032 PolarHBondContact O-N 3.32Å; D1030-L1032 VanDerWaalsContact O-N 3.1Å
1033W94.1Very high91.5Very high41 Ų4155.3 Ų55.316%0.15527%0.267CS..Hα-helixtrans-126.1-14.7-169.7-71.293.5000115.2N951 I957 C1029 D1030 A1050N951-W1033 HydrophobicContact CB-CD2 4.09Å; N951-W1033 HydrophobicContact CB-CH2 4.38Å; N951-W1033 HydrophobicContact CB-CZ2 3.78Å; I957-W1033 HydrophobicContact CD1-CH2 3.52Å; I957-W1033 HydrophobicContact CD1-CZ2 3.58Å; I957-W1033 HydrophobicContact CG1-CH2 3.95Å; I957-W1033 HydrophobicContact CG1-CZ2 3.63Å; C1029-W1033 WeakPolarHBondContact O-CB 3.39Å; C1029-W1033 VanDerWaalsContact O-CD1 3.27Å; C1029-W1033 PolarHBondContact O-N 3.34Å; D1030-W1033 PolarHBondContact O-N 2.67Å; W1033-A1050 HydrophobicContact CB-CB 4.36Å; W1033-A1050 HydrophobicContact CD2-CB 4.03Å; W1033-A1050 HydrophobicContact CE3-CB 4.17Å; W1033-A1050 HydrophobicContact CG-CB 4.14Å
1034A94.3Very high91.6Very high0 Ų057 Ų570%027%0.271CS..  trans-71.4140.8-17700000111.7G1001 G1002 L1003 D1030 F1052 F1054 R1073G1001-A1034 CarbonylContact C-O 3.58Å; G1002-A1034 WeakPolarHBondContact CA-O 3.3Å; G1002-A1034 PolarHBondContact N-O 2.72Å; G1002-A1034 VanDerWaalsContact N-O 3.12Å; L1003-A1034 VanDerWaalsContact O-CB 3.26Å; L1003-A1034 WeakPolarHBondContact O-CB 3.4Å; D1030-A1034 WeakPolarHBondContact O-CB 3.47Å; D1030-A1034 PolarHBondContact O-N 3.06Å; A1034-F1052 WeakPolarHBondContact CA-O 3.49Å; A1034-F1052 WeakPolarHBondContact CB-O 3.33Å; A1034-F1054 HydrophobicContact CB-CD1 4.26Å; A1034-F1054 HydrophobicContact CB-CE1 3.96Å; A1034-R1073 PolarHBondContact O-NH1 3.09Å
1035D93.8Very high91.8Very high5 Ų555 Ų553%0.02727%0.265CS..EExtended strand (participates in β ladder)trans-125.1136.1-174.8-86.1-25.6000113.3R1048 F1052 T1053 F1054 R1073 H1075 Q1076D1035-R1048 IonicContact OD2-CZ 3.5Å; D1035-R1048 VanDerWaalsContact OD2-CZ 3.27Å; D1035-R1048 IonicContact OD2-NE 3.58Å; D1035-R1048 PolarHBondContact OD2-NE 2.87Å; D1035-R1048 IonicContact OD2-NH2 3.86Å; D1035-R1048 PolarHBondContact OD2-NH2 3.37Å; D1035-F1052 PolarHBondContact N-O 2.67Å; D1035-F1052 VanDerWaalsContact N-O 3.15Å; D1035-T1053 HydrophobicContact CB-CG2 4.22Å; D1035-T1053 CarbonylContact O-C 3.58Å; D1035-T1053 WeakPolarHBondContact O-CA 3.31Å; D1035-T1053 WeakPolarHBondContact O-CB 3.37Å; D1035-F1054 PolarHBondContact O-N 2.83Å; D1035-R1073 IonicContact OD1-CZ 3.46Å; D1035-R1073 VanDerWaalsContact OD1-CZ 3.25Å; D1035-R1073 IonicContact OD1-NH1 3.58Å; D1035-R1073 PolarHBondContact OD1-NH1 3.35Å; D1035-R1073 IonicContact OD1-NH2 2.86Å; D1035-R1073 PolarHBondContact OD1-NH2 3.25Å; D1035-H1075 IonicContact OD1-CD2 2.7Å; D1035-H1075 PolarHBondContact OD1-CD2 2.84Å; D1035-H1075 IonicContact OD1-NE2 3.82Å; D1035-H1075 IonicContact OD2-CD2 3.51Å; D1035-H1075 IonicContact OD2-NE2 2.76Å; D1035-Q1076 VanDerWaalsContact OD1-CG 3.31Å; D1035-Q1076 WeakPolarHBondContact OD1-CG 3.21Å; D1035-Q1076 PolarHBondContact OD1-NE2 2.65Å; D1035-Q1076 PolarHBondContact OD1-OE1 3.15Å; D1035-Q1076 PolarHBondContact OD2-NE2 3.5Å
1036P93.7Very high91.8Very high15 Ų1549.7 Ų49.710%0.09724%0.239CC..EExtended strand (participates in β ladder)trans-67.3139.6166.929.7-34.3000110.3F1054 F1085 L1090P1036-F1054 WeakPolarHBondContact CA-O 3.33Å; P1036-F1054 HydrophobicContact CB-CD2 4.49Å; P1036-F1054 HydrophobicContact CB-CE2 3.87Å; P1036-F1054 HydrophobicContact CB-CZ 4.11Å; P1036-F1085 HydrophobicContact CB-CD1 3.73Å; P1036-F1085 HydrophobicContact CB-CD2 4.24Å; P1036-F1085 HydrophobicContact CB-CE1 3.72Å; P1036-F1085 HydrophobicContact CB-CE2 4.23Å; P1036-F1085 HydrophobicContact CB-CG 4Å; P1036-F1085 HydrophobicContact CB-CZ 3.98Å; P1036-L1090 HydrophobicContact CG-CD2 4.1Å
1037D91.6Very high91.4Very high49 Ų4954.4 Ų54.426%0.26228%0.276SS..  trans-133120.6173.3-173.6-12.3000110.2R1039 N1040 T1053 F1054D1037-R1039 PolarHBondContact O-N 2.96Å; D1037-R1039 WeakPolarHBondContact OD1-CB 3.48Å; D1037-R1039 PolarHBondContact OD1-N 3.47Å; D1037-N1040 HydrophobicContact CB-CB 4.25Å; D1037-N1040 PolarHBondContact O-N 3.14Å; D1037-N1040 PolarHBondContact OD2-ND2 3.27Å; D1037-T1053 HydrophobicContact CB-CG2 4.49Å; D1037-F1054 PolarHBondContact N-O 3Å
1038K86.8Confident90.8Very high125 Ų12559.1 Ų59.154%0.54329%0.293SS..THydrogen-bonded Turntrans-62-21.4179-67.1178.6-174172.50112.8P806 E1083 F1085P806-K1038 PolarHBondContact O-NZ 3.23Å; K1038-E1083 VanDerWaalsContact CE-OE1 3.27Å; K1038-E1083 WeakPolarHBondContact CE-OE1 3.49Å; K1038-E1083 IonicContact NZ-OE1 2.77Å; K1038-E1083 PolarHBondContact NZ-OE1 3Å; K1038-F1085 HydrophobicContact CB-CE2 4.28Å; K1038-F1085 HydrophobicContact CG-CD2 3.86Å; K1038-F1085 HydrophobicContact CG-CE2 3.62Å
1039R86.8Confident90.2Very high231 Ų23162 Ų6287%0.87233%0.326SS*.THydrogen-bonded Turntrans-88.6-20.3-176.5-58.7177.9-174.3178.53.6113.2D1037D1037-R1039 PolarHBondContact O-N 2.96Å; D1037-R1039 WeakPolarHBondContact OD1-CB 3.48Å; D1037-R1039 PolarHBondContact OD1-N 3.47Å
1040N84.4Confident89.6Confident43 Ų4362.9 Ų62.923%0.2333%0.334CS..  trans-96.6150.8-173-63.4-20.1000111.5D1037 M1044 T1053 G1055D1037-N1040 HydrophobicContact CB-CB 4.25Å; D1037-N1040 PolarHBondContact O-N 3.14Å; D1037-N1040 PolarHBondContact OD2-ND2 3.27Å; N1040-M1044 HydrophobicContact CB-CG 4.06Å; N1040-T1053 PolarHBondContact ND2-OG1 2.93Å; N1040-G1055 WeakPolarHBondContact O-CA 3.43Å
1041K88.1Confident89.3Confident177 Ų17763.8 Ų63.877%0.7734%0.34SS*.SBendtrans-120.8131.2169.4-172178.9-179.4179.80108.2
1042G91.9Very high89.2Confident18 Ų1866.9 Ų66.919%0.18635%0.354CS..SBendtrans73.4-150.3-171.100000112.8F1054 G1055 D1057 V1058G1042-F1054 WeakPolarHBondContact O-CA 3.42Å; G1042-G1055 PolarHBondContact O-N 3.35Å; G1042-D1057 PolarHBondContact N-OD1 3.22Å; G1042-D1057 PolarHBondContact N-OD2 3.39Å; G1042-D1057 VanDerWaalsContact N-OD2 3.09Å; G1042-V1058 WeakPolarHBondContact O-CG2 3.31Å
1043W93.2Very high89.1Confident75 Ų7567.7 Ų67.728%0.28436%0.358SS..EExtended strand (participates in β ladder)trans-100.7135.3-179.7-62.698000111.2L1003 P1005 F1052 F1054 V1058 F1062L1003-W1043 VanDerWaalsContact C-CH2 3.46Å; L1003-W1043 HydrophobicContact CB-CH2 3.77Å; L1003-W1043 VanDerWaalsContact O-CH2 3.29Å; L1003-W1043 WeakPolarHBondContact O-CH2 3.45Å; L1003-W1043 VanDerWaalsContact O-CZ3 3.24Å; L1003-W1043 WeakPolarHBondContact O-CZ3 3.46Å; P1005-W1043 HydrophobicContact CB-CD2 4.02Å; P1005-W1043 HydrophobicContact CB-CG 4.39Å; P1005-W1043 HydrophobicContact CB-CZ2 4.05Å; P1005-W1043 HydrophobicContact CG-CD2 4.39Å; P1005-W1043 HydrophobicContact CG-CE3 4.43Å; P1005-W1043 VanDerWaalsContact N-CH2 3.33Å; W1043-F1052 HydrophobicContact CE3-CB 3.72Å; W1043-F1052 HydrophobicContact CE3-CG 4.22Å; W1043-F1052 HydrophobicContact CZ3-CB 4.25Å; W1043-F1054 HydrophobicContact CD2-CB 4.35Å; W1043-F1054 HydrophobicContact CE3-CB 3.78Å; W1043-F1054 HydrophobicContact CE3-CD1 4.48Å; W1043-F1054 HydrophobicContact CH2-CB 4.39Å; W1043-F1054 HydrophobicContact CH2-CD1 4.42Å; W1043-F1054 HydrophobicContact CZ3-CB 3.8Å; W1043-F1054 AromaticContact CZ3-CD1 3.8Å; W1043-F1054 HydrophobicContact CZ3-CD1 3.8Å; W1043-F1054 HydrophobicContact CZ3-CG 4.09Å; W1043-V1058 HydrophobicContact CD2-CG1 4.41Å; W1043-V1058 HydrophobicContact CH2-CG1 3.85Å; W1043-V1058 HydrophobicContact CZ2-CG1 3.36Å; W1043-F1062 AromaticContact CZ2-CE2 3.7Å; W1043-F1062 HydrophobicContact CZ2-CE2 3.7Å; W1043-F1062 HydrophobicContact CZ2-CZ 4.05Å
1044M91.6Very high89.1Confident90 Ų9065.7 Ų65.744%0.44335%0.351SS..EExtended strand (participates in β ladder)trans-133.4149.8176-68.1-65-71.800110.2N1040 F1052 T1053N1040-M1044 HydrophobicContact CB-CG 4.06Å; M1044-F1052 CarbonylContact O-C 3.58Å; M1044-F1052 WeakPolarHBondContact O-CA 3.3Å; M1044-F1052 WeakPolarHBondContact O-CB 3.47Å; M1044-T1053 WeakPolarHBondContact CB-OG1 3.36Å; M1044-T1053 PolarHBondContact N-O 3.33Å; M1044-T1053 PolarHBondContact O-N 3.3Å; M1044-T1053 PolarHBondContact O-OG1 3.5Å
1045P89.9Confident89.1Confident104 Ų10465.7 Ų65.768%0.67535%0.351SS*.EExtended strand (participates in β ladder)trans-59.5139.5173.7-23.434.3000111.9
1046S88.7Confident89.1Confident14 Ų1467.3 Ų67.310%0.09837%0.365CS..  trans-75.4139.4179.1-179.50000112.3R1048 G1049 A1050 S1051S1046-R1048 PolarHBondContact O-N 3.18Å; S1046-R1048 WeakPolarHBondContact OG-CB 3.09Å; S1046-R1048 PolarHBondContact OG-N 2.88Å; S1046-R1048 VanDerWaalsContact OG-N 3.16Å; S1046-G1049 PolarHBondContact O-N 3.1Å; S1046-A1050 WeakPolarHBondContact CB-O 3.42Å; S1046-S1051 WeakPolarHBondContact CB-O 3.47Å; S1046-S1051 PolarHBondContact N-O 3.43Å
1047A82.6Confident89.1Confident112 Ų11269.9 Ų69.993%0.92638%0.378SS*.THydrogen-bonded Turntrans-64.4-15.8171.300000113G1049A1047-G1049 PolarHBondContact O-N 3.14Å
1048R81.9Confident89.3Confident120 Ų12067.9 Ų67.945%0.45337%0.367SS..THydrogen-bonded Turntrans-71.2-9.8175.2-60.8-177-175.3-9912.4113.4D1035 S1046 A1050 H1075D1035-R1048 IonicContact OD2-CZ 3.5Å; D1035-R1048 VanDerWaalsContact OD2-CZ 3.27Å; D1035-R1048 IonicContact OD2-NE 3.58Å; D1035-R1048 PolarHBondContact OD2-NE 2.87Å; D1035-R1048 IonicContact OD2-NH2 3.86Å; D1035-R1048 PolarHBondContact OD2-NH2 3.37Å; S1046-R1048 PolarHBondContact O-N 3.18Å; S1046-R1048 WeakPolarHBondContact OG-CB 3.09Å; S1046-R1048 PolarHBondContact OG-N 2.88Å; S1046-R1048 VanDerWaalsContact OG-N 3.16Å; R1048-A1050 PolarHBondContact O-N 3.08Å; R1048-H1075 PolarHBondContact NE-NE2 2.92Å
1049G80.5Confident89.6Confident77 Ų7762 Ų6279%0.79434%0.342SS*.SBendtrans774.9-175.200000114.3S1046 A1047S1046-G1049 PolarHBondContact O-N 3.1Å; A1047-G1049 PolarHBondContact O-N 3.14Å
1050A81.2Confident89.9Confident21 Ų2152.7 Ų52.717%0.17431%0.311CS..SBendtrans-137.2137.1175.500000109.8W1033 S1046 R1048W1033-A1050 HydrophobicContact CB-CB 4.36Å; W1033-A1050 HydrophobicContact CD2-CB 4.03Å; W1033-A1050 HydrophobicContact CE3-CB 4.17Å; W1033-A1050 HydrophobicContact CG-CB 4.14Å; S1046-A1050 WeakPolarHBondContact CB-O 3.42Å; R1048-A1050 PolarHBondContact O-N 3.08Å
1051S90.5Very high90.4Very high20 Ų2053.9 Ų53.914%0.1432%0.323CS..SBendtrans59.7-158.8-179.2-164.30000115.3D1030 S1046D1030-S1051 WeakPolarHBondContact CA-OG 3.47Å; D1030-S1051 WeakPolarHBondContact CB-OG 3.19Å; D1030-S1051 VanDerWaalsContact CG-OG 3.32Å; D1030-S1051 WeakPolarHBondContact OD1-CB 3.3Å; D1030-S1051 PolarHBondContact OD1-OG 2.89Å; S1046-S1051 WeakPolarHBondContact CB-O 3.47Å; S1046-S1051 PolarHBondContact N-O 3.43Å
1052F91.9Very high90.6Very high68 Ų6846.1 Ų46.130%0.29829%0.289SS..EExtended strand (participates in β ladder)trans-120.9155.6-171-58.6-88.8000110.8P1005 A1034 D1035 W1043 M1044P1005-F1052 HydrophobicContact CG-CD2 3.81Å; P1005-F1052 HydrophobicContact CG-CE2 3.6Å; P1005-F1052 HydrophobicContact CG-CZ 4.12Å; A1034-F1052 WeakPolarHBondContact CA-O 3.49Å; A1034-F1052 WeakPolarHBondContact CB-O 3.33Å; D1035-F1052 PolarHBondContact N-O 2.67Å; D1035-F1052 VanDerWaalsContact N-O 3.15Å; W1043-F1052 HydrophobicContact CE3-CB 3.72Å; W1043-F1052 HydrophobicContact CE3-CG 4.22Å; W1043-F1052 HydrophobicContact CZ3-CB 4.25Å; M1044-F1052 CarbonylContact O-C 3.58Å; M1044-F1052 WeakPolarHBondContact O-CA 3.3Å; M1044-F1052 WeakPolarHBondContact O-CB 3.47Å
1053T94.2Very high90.7Very high16 Ų1645.3 Ų45.310%0.09828%0.281CS..EExtended strand (participates in β ladder)trans-97.3153.3156.354.60000109.9D1035 D1037 N1040 M1044D1035-T1053 HydrophobicContact CB-CG2 4.22Å; D1035-T1053 CarbonylContact O-C 3.58Å; D1035-T1053 WeakPolarHBondContact O-CA 3.31Å; D1035-T1053 WeakPolarHBondContact O-CB 3.37Å; D1037-T1053 HydrophobicContact CB-CG2 4.49Å; N1040-T1053 PolarHBondContact ND2-OG1 2.93Å; M1044-T1053 WeakPolarHBondContact CB-OG1 3.36Å; M1044-T1053 PolarHBondContact N-O 3.33Å; M1044-T1053 PolarHBondContact O-N 3.3Å; M1044-T1053 PolarHBondContact O-OG1 3.5Å
1054F94.4Very high90.6Very high0 Ų049.1 Ų49.10%030%0.299CS..EExtended strand (participates in β ladder)trans-138.8147.3-178.957.2-92.8000113.8L1003 A1034 D1035 P1036 D1037 G1042 W1043 V1058 V1059 L1090L1003-F1054 HydrophobicContact CB-CE1 4.35Å; L1003-F1054 HydrophobicContact CB-CZ 4.42Å; L1003-F1054 HydrophobicContact CD1-CE2 4.34Å; L1003-F1054 HydrophobicContact CG-CZ 4.39Å; A1034-F1054 HydrophobicContact CB-CD1 4.26Å; A1034-F1054 HydrophobicContact CB-CE1 3.96Å; D1035-F1054 PolarHBondContact O-N 2.83Å; P1036-F1054 WeakPolarHBondContact CA-O 3.33Å; P1036-F1054 HydrophobicContact CB-CD2 4.49Å; P1036-F1054 HydrophobicContact CB-CE2 3.87Å; P1036-F1054 HydrophobicContact CB-CZ 4.11Å; D1037-F1054 PolarHBondContact N-O 3Å; G1042-F1054 WeakPolarHBondContact O-CA 3.42Å; W1043-F1054 HydrophobicContact CD2-CB 4.35Å; W1043-F1054 HydrophobicContact CE3-CB 3.78Å; W1043-F1054 HydrophobicContact CE3-CD1 4.48Å; W1043-F1054 HydrophobicContact CH2-CB 4.39Å; W1043-F1054 HydrophobicContact CH2-CD1 4.42Å; W1043-F1054 HydrophobicContact CZ3-CB 3.8Å; W1043-F1054 AromaticContact CZ3-CD1 3.8Å; W1043-F1054 HydrophobicContact CZ3-CD1 3.8Å; W1043-F1054 HydrophobicContact CZ3-CG 4.09Å; F1054-V1058 HydrophobicContact CB-CB 4.02Å; F1054-V1058 HydrophobicContact CB-CG1 4.06Å; F1054-V1058 HydrophobicContact CB-CG2 4.07Å; F1054-V1058 HydrophobicContact CD2-CB 4.45Å; F1054-V1058 HydrophobicContact CD2-CG1 4.5Å; F1054-V1058 HydrophobicContact CG-CG1 4.45Å; F1054-V1059 HydrophobicContact CD2-CG2 3.78Å; F1054-V1059 HydrophobicContact CE2-CG2 3.52Å; F1054-L1090 HydrophobicContact CE2-CD1 3.91Å; F1054-L1090 HydrophobicContact CZ-CD1 4.01Å
1055G93.8Very high90.7Very high0 Ų050.4 Ų50.40%030%0.302CS..  trans-82.7171.1178.600000114.7N1040 G1042 D1057 V1058 V1059N1040-G1055 WeakPolarHBondContact O-CA 3.43Å; G1042-G1055 PolarHBondContact O-N 3.35Å; G1055-D1057 WeakPolarHBondContact CA-OD1 3.15Å; G1055-D1057 PolarHBondContact O-N 3.27Å; G1055-V1058 WeakPolarHBondContact O-CB 3.24Å; G1055-V1058 PolarHBondContact O-N 2.58Å; G1055-V1058 VanDerWaalsContact O-N 3.15Å; G1055-V1059 PolarHBondContact O-N 3.15Å
1056A93.3Very high90.9Very high39 Ų3946.4 Ų46.432%0.32228%0.275SS..Hα-helixtrans-62.9-26.1177.800000113.7V1059 T1060 F1085 A1086A1056-V1059 PolarHBondContact O-N 2.86Å; A1056-T1060 PolarHBondContact O-N 2.9Å; A1056-T1060 VanDerWaalsContact O-N 3.09Å; A1056-T1060 PolarHBondContact O-OG1 3.16Å; A1056-F1085 HydrophobicContact CB-CE1 4.07Å; A1056-F1085 HydrophobicContact CB-CZ 4.03Å; A1056-A1086 HydrophobicContact CB-CB 3.7Å
1057D94.1Very high91.1Very high68 Ų6851 Ų5136%0.36430%0.299SS..Hα-helixtrans-65.8-38.517562.2-49.6000112.1G1042 G1055 T1060 S1061G1042-D1057 PolarHBondContact N-OD1 3.22Å; G1042-D1057 PolarHBondContact N-OD2 3.39Å; G1042-D1057 VanDerWaalsContact N-OD2 3.09Å; G1055-D1057 WeakPolarHBondContact CA-OD1 3.15Å; G1055-D1057 PolarHBondContact O-N 3.27Å; D1057-T1060 PolarHBondContact O-N 2.72Å; D1057-S1061 WeakPolarHBondContact O-CB 3.21Å; D1057-S1061 PolarHBondContact O-N 3.3Å
1058V94.8Very high91.7Very high8 Ų846 Ų465%0.04826%0.256CS..Hα-helixtrans-63.2-49.3175.8178.80000110.1L1003 G1042 W1043 F1054 G1055 T1060 S1061 F1062L1003-V1058 HydrophobicContact CD1-CG1 4.44Å; G1042-V1058 WeakPolarHBondContact O-CG2 3.31Å; W1043-V1058 HydrophobicContact CD2-CG1 4.41Å; W1043-V1058 HydrophobicContact CH2-CG1 3.85Å; W1043-V1058 HydrophobicContact CZ2-CG1 3.36Å; F1054-V1058 HydrophobicContact CB-CB 4.02Å; F1054-V1058 HydrophobicContact CB-CG1 4.06Å; F1054-V1058 HydrophobicContact CB-CG2 4.07Å; F1054-V1058 HydrophobicContact CD2-CB 4.45Å; F1054-V1058 HydrophobicContact CD2-CG1 4.5Å; F1054-V1058 HydrophobicContact CG-CG1 4.45Å; G1055-V1058 WeakPolarHBondContact O-CB 3.24Å; G1055-V1058 PolarHBondContact O-N 2.58Å; G1055-V1058 VanDerWaalsContact O-N 3.15Å; V1058-T1060 VanDerWaalsContact C-N 3.34Å; V1058-T1060 PolarHBondContact O-N 2.96Å; V1058-S1061 PolarHBondContact O-N 3.49Å; V1058-F1062 HydrophobicContact CG1-CD2 3.75Å; V1058-F1062 HydrophobicContact CG1-CE2 3.94Å; V1058-F1062 WeakPolarHBondContact O-CB 3.47Å; V1058-F1062 WeakPolarHBondContact O-CD2 3.36Å; V1058-F1062 PolarHBondContact O-N 3.18Å
1059V94.5Very high92.1Very high0 Ų043.5 Ų43.50%025%0.252CS..Hα-helixtrans-58.3-46.7178.7179.30000111.1L1003 F1054 G1055 A1056 S1061 F1062 C1063 F1085 A1086 R1089 L1090L1003-V1059 HydrophobicContact CD1-CG2 4.17Å; F1054-V1059 HydrophobicContact CD2-CG2 3.78Å; F1054-V1059 HydrophobicContact CE2-CG2 3.52Å; G1055-V1059 PolarHBondContact O-N 3.15Å; A1056-V1059 PolarHBondContact O-N 2.86Å; V1059-S1061 VanDerWaalsContact C-N 3.34Å; V1059-S1061 PolarHBondContact O-N 3.26Å; V1059-F1062 PolarHBondContact O-N 3.02Å; V1059-C1063 WeakPolarHBondContact O-CB 3.45Å; V1059-C1063 PolarHBondContact O-N 2.97Å; V1059-C1063 PolarHBondContact O-SG 3.03Å; V1059-F1085 HydrophobicContact CG2-CD1 3.97Å; V1059-F1085 HydrophobicContact CG2-CE1 3.89Å; V1059-A1086 HydrophobicContact CB-CB 3.7Å; V1059-A1086 HydrophobicContact CG1-CB 3.81Å; V1059-A1086 HydrophobicContact CG2-CB 4.21Å; V1059-R1089 HydrophobicContact CG1-CB 3.86Å; V1059-L1090 HydrophobicContact CG1-CB 3.9Å; V1059-L1090 HydrophobicContact CG2-CB 4.38Å; V1059-L1090 HydrophobicContact CG2-CD1 4.1Å
1060T93.2Very high92.7Very high36 Ų3640.4 Ų40.422%0.22122%0.217CC..Hα-helixtrans-62.1-42179.5-57.70000111.9A1056 D1057 V1058 K1064A1056-T1060 PolarHBondContact O-N 2.9Å; A1056-T1060 VanDerWaalsContact O-N 3.09Å; A1056-T1060 PolarHBondContact O-OG1 3.16Å; D1057-T1060 PolarHBondContact O-N 2.72Å; V1058-T1060 VanDerWaalsContact C-N 3.34Å; V1058-T1060 PolarHBondContact O-N 2.96Å; T1060-K1064 WeakPolarHBondContact O-CG 3.26Å; T1060-K1064 PolarHBondContact O-N 2.97Å
1061S93.4Very high93.5Very high69 Ų6939.4 Ų39.448%0.48321%0.209SC..Hα-helixtrans-64-44.9176-174.70000111.6D1057 V1058 V1059 K1064 K1065D1057-S1061 WeakPolarHBondContact O-CB 3.21Å; D1057-S1061 PolarHBondContact O-N 3.3Å; V1058-S1061 PolarHBondContact O-N 3.49Å; V1059-S1061 VanDerWaalsContact C-N 3.34Å; V1059-S1061 PolarHBondContact O-N 3.26Å; S1061-K1064 PolarHBondContact O-N 2.76Å; S1061-K1065 VanDerWaalsContact O-CB 3.28Å; S1061-K1065 WeakPolarHBondContact O-CB 3.46Å; S1061-K1065 PolarHBondContact O-N 3.15Å
1062F93.9Very high93.7Very high13 Ų1338.5 Ų38.56%0.05720%0.202CC..Hα-helixtrans-64.6-43.1178.4-96-100.2000113L1003 S1004 L1007 W1043 V1058 V1059 K1064 K1065 L1066L1003-F1062 HydrophobicContact CD1-CB 3.76Å; L1003-F1062 HydrophobicContact CD1-CD1 4.26Å; L1003-F1062 HydrophobicContact CD1-CD2 4.22Å; L1003-F1062 HydrophobicContact CD1-CG 3.81Å; L1003-F1062 HydrophobicContact CD2-CD1 4.07Å; L1003-F1062 HydrophobicContact CD2-CG 4.43Å; S1004-F1062 WeakPolarHBondContact O-CZ 3.38Å; L1007-F1062 HydrophobicContact CB-CE1 3.91Å; L1007-F1062 HydrophobicContact CB-CZ 4.5Å; L1007-F1062 HydrophobicContact CD2-CE1 4.21Å; L1007-F1062 HydrophobicContact CG-CE1 4.13Å; L1007-F1062 WeakPolarHBondContact O-CE1 3.48Å; L1007-F1062 VanDerWaalsContact O-CZ 3.22Å; L1007-F1062 WeakPolarHBondContact O-CZ 3.42Å; W1043-F1062 AromaticContact CZ2-CE2 3.7Å; W1043-F1062 HydrophobicContact CZ2-CE2 3.7Å; W1043-F1062 HydrophobicContact CZ2-CZ 4.05Å; V1058-F1062 HydrophobicContact CG1-CD2 3.75Å; V1058-F1062 HydrophobicContact CG1-CE2 3.94Å; V1058-F1062 WeakPolarHBondContact O-CB 3.47Å; V1058-F1062 WeakPolarHBondContact O-CD2 3.36Å; V1058-F1062 PolarHBondContact O-N 3.18Å; V1059-F1062 PolarHBondContact O-N 3.02Å; F1062-K1064 VanDerWaalsContact C-N 3.28Å; F1062-K1064 PolarHBondContact O-N 3.19Å; F1062-K1065 PolarHBondContact O-N 3.28Å; F1062-L1066 HydrophobicContact CD1-CD1 3.91Å; F1062-L1066 HydrophobicContact CD1-CG 4.45Å; F1062-L1066 WeakPolarHBondContact O-CB 3.11Å; F1062-L1066 PolarHBondContact O-N 2.83Å
1063C92.9Very high94Very high2 Ų235.2 Ų35.21%0.01419%0.188CC..Hα-helixtrans-58.2-43.1176.6-68.40000111.4V1059 D1067 I1068V1059-C1063 WeakPolarHBondContact O-CB 3.45Å; V1059-C1063 PolarHBondContact O-N 2.97Å; V1059-C1063 PolarHBondContact O-SG 3.03Å; C1063-D1067 WeakPolarHBondContact O-CA 3.43Å; C1063-D1067 PolarHBondContact O-N 3.09Å; C1063-I1068 CarbonylContact C-O 3.53Å; C1063-I1068 HydrophobicContact CB-CG1 4.34Å; C1063-I1068 WeakPolarHBondContact CB-O 3.29Å; C1063-I1068 PolarHBondContact O-N 2.8Å; C1063-I1068 VanDerWaalsContact O-O 3.11Å
1064K92.2Very high94.1Very high155 Ų15534.5 Ų34.567%0.67418%0.183SC*.Hα-helixtrans-67.1-44.6174.6-69.9177.8179.8-178.80112.4T1060 S1061 F1062 D1067T1060-K1064 WeakPolarHBondContact O-CG 3.26Å; T1060-K1064 PolarHBondContact O-N 2.97Å; S1061-K1064 PolarHBondContact O-N 2.76Å; F1062-K1064 VanDerWaalsContact C-N 3.28Å; F1062-K1064 PolarHBondContact O-N 3.19Å; K1064-D1067 PolarHBondContact O-N 2.88Å
1065K93.4Very high94.1Very high116 Ų11635 Ų3550%0.50419%0.185SC..Hα-helixtrans-65.9-39.3-175.8-177.5-178.8-180-177.10112.7S1008 S1061 F1062S1008-K1065 VanDerWaalsContact O-CE 3.32Å; S1008-K1065 WeakPolarHBondContact O-CE 3.28Å; S1061-K1065 VanDerWaalsContact O-CB 3.28Å; S1061-K1065 WeakPolarHBondContact O-CB 3.46Å; S1061-K1065 PolarHBondContact O-N 3.15Å; F1062-K1065 PolarHBondContact O-N 3.28Å
1066L93.1Very high93.9Very high21 Ų2137.2 Ų37.211%0.1120%0.196CC..THydrogen-bonded Turntrans-95.81.5-177.4-59.9-179.9000113.3L997 L1007 L1010 F1062 I1068L997-L1066 HydrophobicContact CD2-CD1 4.25Å; L1007-L1066 HydrophobicContact CD2-CD1 4.15Å; L1007-L1066 HydrophobicContact CG-CD1 4.48Å; L1010-L1066 HydrophobicContact CD2-CD1 4.17Å; L1010-L1066 HydrophobicContact CG-CD2 4.46Å; F1062-L1066 HydrophobicContact CD1-CD1 3.91Å; F1062-L1066 HydrophobicContact CD1-CG 4.45Å; F1062-L1066 WeakPolarHBondContact O-CB 3.11Å; F1062-L1066 PolarHBondContact O-N 2.83Å; L1066-I1068 HydrophobicContact CB-CD1 4.46Å; L1066-I1068 HydrophobicContact CB-CG1 4.29Å; L1066-I1068 HydrophobicContact CB-CG2 4.44Å; L1066-I1068 PolarHBondContact O-N 3.23Å
1067D93.6Very high93.8Very high111 Ų11137.8 Ų37.859%0.59420%0.195SC*.THydrogen-bonded Turntrans51.549.7-174.9-169.831.6000113.3R995 C1063 K1064R995-D1067 IonicContact NH1-OD1 3.93Å; R995-D1067 PolarHBondContact NH1-OD1 2.7Å; R995-D1067 IonicContact NH1-OD2 2.68Å; C1063-D1067 WeakPolarHBondContact O-CA 3.43Å; C1063-D1067 PolarHBondContact O-N 3.09Å; K1064-D1067 PolarHBondContact O-N 2.88Å
1068I94.1Very high93.6Very high5 Ų534.9 Ų34.93%0.02618%0.18CC..  trans-119.7152.5175.862.5174.4000110.4L991 R995 L997 C1063 L1066 V1071L991-I1068 HydrophobicContact CD1-CG2 4.18Å; R995-I1068 WeakPolarHBondContact O-CB 3.24Å; L997-I1068 HydrophobicContact CB-CD1 3.53Å; L997-I1068 HydrophobicContact CD2-CD1 4.04Å; L997-I1068 HydrophobicContact CG-CD1 4.44Å; C1063-I1068 CarbonylContact C-O 3.53Å; C1063-I1068 HydrophobicContact CB-CG1 4.34Å; C1063-I1068 WeakPolarHBondContact CB-O 3.29Å; C1063-I1068 PolarHBondContact O-N 2.8Å; C1063-I1068 VanDerWaalsContact O-O 3.11Å; L1066-I1068 HydrophobicContact CB-CD1 4.46Å; L1066-I1068 HydrophobicContact CB-CG1 4.29Å; L1066-I1068 HydrophobicContact CB-CG2 4.44Å; L1066-I1068 PolarHBondContact O-N 3.23Å; I1068-V1071 HydrophobicContact CD1-CG2 3.96Å
1069D91.6Very high93.2Very high69 Ų6936 Ų3637%0.36919%0.192SC..SBendtrans-90.5-33-179.1-64.3-39.4000112.2Y810 R995Y810-D1069 PolarHBondContact OH-O 2.8Å; R995-D1069 IonicContact CZ-OD1 3.19Å; R995-D1069 IonicContact CZ-OD2 3.95Å; R995-D1069 VanDerWaalsContact CZ-OD2 3.29Å; R995-D1069 IonicContact NE-OD1 3.23Å; R995-D1069 IonicContact NE-OD2 3.06Å; R995-D1069 PolarHBondContact NE-OD2 3.37Å; R995-D1069 IonicContact NH2-OD1 3.27Å; R995-D1069 PolarHBondContact NH2-OD1 3.4Å; R995-D1069 IonicContact NH2-OD2 3.93Å; R995-D1069 PolarHBondContact NH2-OD2 3.16Å; R995-D1069 PolarHBondContact O-N 2.75Å
1070M93.5Very high92.8Very high12 Ų1238.1 Ų38.16%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-149.5148.6-172.4-172.1-179-34.900112.5Y810 R995 I996 L997 R1089 V1091 M1110Y810-M1070 HydrophobicContact CD1-CE 4.25Å; Y810-M1070 HydrophobicContact CD2-CE 3.12Å; Y810-M1070 HydrophobicContact CD2-CG 4.2Å; Y810-M1070 HydrophobicContact CD2-SD 3.53Å; Y810-M1070 VanDerWaalsContact CD2-SD 3.53Å; Y810-M1070 HydrophobicContact CE1-CE 4.31Å; Y810-M1070 HydrophobicContact CE2-CB 4.17Å; Y810-M1070 HydrophobicContact CE2-CE 3.16Å; Y810-M1070 HydrophobicContact CE2-CG 3.71Å; Y810-M1070 HydrophobicContact CE2-SD 3.65Å; Y810-M1070 HydrophobicContact CG-CE 3.78Å; R995-M1070 PolarHBondContact O-N 3.17Å; I996-M1070 CarbonylContact C-O 3.42Å; I996-M1070 WeakPolarHBondContact CA-O 3.18Å; I996-M1070 HydrophobicContact CG1-CB 4.36Å; I996-M1070 HydrophobicContact CG2-CB 4.27Å; L997-M1070 PolarHBondContact N-O 3.35Å; M1070-R1089 CarbonylContact C-O 3.46Å; M1070-R1089 VanDerWaalsContact CA-O 3.28Å; M1070-R1089 WeakPolarHBondContact CA-O 3.09Å; M1070-V1091 HydrophobicContact CG-CG1 4.49Å; M1070-V1091 HydrophobicContact SD-CB 4.37Å; M1070-V1091 HydrophobicContact SD-CG1 3.77Å; M1070-M1110 HydrophobicContact SD-SD 4.46Å
1071V96.3Very high92.7Very high0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-106.2124.5165.8174.90000108.7L997 M999 L1003 I1068 R1089 L1090 V1091L997-V1071 CarbonylContact O-C 3.6Å; L997-V1071 VanDerWaalsContact O-CA 3.26Å; L997-V1071 WeakPolarHBondContact O-CA 3.45Å; M999-V1071 HydrophobicContact CE-CG1 3.54Å; M999-V1071 HydrophobicContact SD-CG1 4.33Å; L1003-V1071 HydrophobicContact CD2-CG2 4.18Å; I1068-V1071 HydrophobicContact CD1-CG2 3.96Å; V1071-R1089 PolarHBondContact N-O 3.08Å; V1071-L1090 HydrophobicContact CB-CB 4.23Å; V1071-L1090 HydrophobicContact CB-CD1 4.2Å; V1071-L1090 HydrophobicContact CB-CG 4.17Å; V1071-L1090 HydrophobicContact CG1-CD1 3.9Å; V1071-L1090 HydrophobicContact CG1-CG 4.16Å; V1071-L1090 CarbonylContact O-C 3.13Å; V1071-L1090 VanDerWaalsContact O-CA 3.24Å; V1071-L1090 WeakPolarHBondContact O-CA 3.48Å; V1071-V1091 PolarHBondContact O-N 2.81Å
1072A96.6Very high92.6Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-106.4126.8169.500000109.5I996 L997 C998 M999 V1091 M1110I996-A1072 HydrophobicContact CG2-CB 4.13Å; L997-A1072 PolarHBondContact O-N 3.08Å; C998-A1072 VanDerWaalsContact CA-O 3.22Å; C998-A1072 WeakPolarHBondContact CA-O 3.49Å; M999-A1072 PolarHBondContact N-O 3.14Å; M999-A1072 VanDerWaalsContact N-O 3.1Å; A1072-V1091 CarbonylContact C-O 3.51Å; A1072-V1091 WeakPolarHBondContact CA-O 3.4Å; A1072-V1091 HydrophobicContact CB-CG1 3.78Å; A1072-M1110 HydrophobicContact CB-CE 4.05Å
1073R96.9Very high92.6Very high0 Ų036.3 Ų36.30%019%0.185CC..EExtended strand (participates in β ladder)trans-135173.6-178.962148.4-72.4165.2-19.6112.4M999 G1001 A1034 D1035 L1090 V1091 T1092 I1093M999-R1073 VanDerWaalsContact O-CA 3.27Å; M999-R1073 WeakPolarHBondContact O-CA 3.45Å; G1001-R1073 VanDerWaalsContact O-CB 3.25Å; G1001-R1073 WeakPolarHBondContact O-CB 3.35Å; G1001-R1073 WeakPolarHBondContact O-CD 3.44Å; G1001-R1073 PolarHBondContact O-NE 3.11Å; G1001-R1073 VanDerWaalsContact O-NE 3.1Å; G1001-R1073 PolarHBondContact O-NH1 3.24Å; A1034-R1073 PolarHBondContact O-NH1 3.09Å; D1035-R1073 IonicContact OD1-CZ 3.46Å; D1035-R1073 VanDerWaalsContact OD1-CZ 3.25Å; D1035-R1073 IonicContact OD1-NH1 3.58Å; D1035-R1073 PolarHBondContact OD1-NH1 3.35Å; D1035-R1073 IonicContact OD1-NH2 2.86Å; D1035-R1073 PolarHBondContact OD1-NH2 3.25Å; R1073-L1090 HydrophobicContact CG-CD1 4.32Å; R1073-L1090 HydrophobicContact CG-CD2 3.93Å; R1073-L1090 HydrophobicContact CG-CG 4.19Å; R1073-V1091 WeakPolarHBondContact CG-O 3.37Å; R1073-V1091 PolarHBondContact N-O 3.1Å; R1073-T1092 WeakPolarHBondContact CD-OG1 3.2Å; R1073-T1092 CarbonylContact O-C 3.59Å; R1073-T1092 WeakPolarHBondContact O-CA 3.32Å; R1073-I1093 PolarHBondContact O-N 3.03Å
1074A96.2Very high92.6Very high0 Ų036.8 Ų36.80%019%0.186CC..  trans-129.1-127.9178.500000110.5D891 L917 H1000 Q1076 T1092 I1093D891-A1074 WeakPolarHBondContact OD1-CB 3.24Å; L917-A1074 HydrophobicContact CB-CB 3.78Å; L917-A1074 HydrophobicContact CD1-CB 4.08Å; H1000-A1074 CarbonylContact O-C 3.58Å; H1000-A1074 VanDerWaalsContact O-C 3.28Å; H1000-A1074 WeakPolarHBondContact O-CA 3.47Å; H1000-A1074 PolarHBondContact O-N 3.26Å; A1074-Q1076 PolarHBondContact O-N 3.19Å; A1074-T1092 WeakPolarHBondContact O-CG2 3.42Å; A1074-I1093 WeakPolarHBondContact CA-O 3.28Å; A1074-I1093 WeakPolarHBondContact CB-O 3.29Å
1075H94.1Very high92.6Very high11 Ų1130.3 Ų30.35%0.05116%0.158CC..SBendtrans65.6-27168.4-175.766000118.7D891 N951 H1000 D1035 R1048D891-H1075 PolarHBondContact OD1-N 3.13Å; D891-H1075 WeakPolarHBondContact OD2-CA 3.26Å; D891-H1075 PolarHBondContact OD2-N 3.4Å; D891-H1075 VanDerWaalsContact OD2-N 3.08Å; N951-H1075 PolarHBondContact OD1-CE1 2.86Å; N951-H1075 VanDerWaalsContact OD1-CE1 3.27Å; N951-H1075 PolarHBondContact OD1-ND1 2.95Å; H1000-H1075 AromaticContact CD2-ND1 3.88Å; H1000-H1075 AromaticContact NE2-CG 3.82Å; H1000-H1075 AromaticContact NE2-ND1 3.41Å; H1000-H1075 PolarHBondContact NE2-ND1 2.83Å; H1000-H1075 WeakPolarHBondContact O-CB 3.38Å; D1035-H1075 IonicContact OD1-CD2 2.7Å; D1035-H1075 PolarHBondContact OD1-CD2 2.84Å; D1035-H1075 IonicContact OD1-NE2 3.82Å; D1035-H1075 IonicContact OD2-CD2 3.51Å; D1035-H1075 IonicContact OD2-NE2 2.76Å; R1048-H1075 PolarHBondContact NE-NE2 2.92Å
1076Q91Very high92.5Very high47 Ų4725.3 Ų25.322%0.2214%0.138CC..SBendtrans-112.3126.5177.9-85.4172.8-37.400109.4D1035 A1074 V1078 T1092 F1094D1035-Q1076 VanDerWaalsContact OD1-CG 3.31Å; D1035-Q1076 WeakPolarHBondContact OD1-CG 3.21Å; D1035-Q1076 PolarHBondContact OD1-NE2 2.65Å; D1035-Q1076 PolarHBondContact OD1-OE1 3.15Å; D1035-Q1076 PolarHBondContact OD2-NE2 3.5Å; A1074-Q1076 PolarHBondContact O-N 3.19Å; Q1076-V1078 PolarHBondContact O-N 2.96Å; Q1076-T1092 HydrophobicContact CB-CG2 4.17Å; Q1076-T1092 WeakPolarHBondContact O-CG2 3.46Å; Q1076-F1094 WeakPolarHBondContact O-CD2 3.43Å
1077V90.1Very high92.2Very high51 Ų5130.7 Ų30.731%0.30917%0.167SC..  trans-65129.6173-171.50000108.9F1094 Y1099 F1103 N1105V1077-F1094 HydrophobicContact CB-CD2 4.45Å; V1077-F1094 HydrophobicContact CB-CE2 4.27Å; V1077-F1094 HydrophobicContact CB-CZ 4.37Å; V1077-F1094 HydrophobicContact CG1-CD1 4.35Å; V1077-F1094 HydrophobicContact CG1-CE1 4.24Å; V1077-F1094 HydrophobicContact CG1-CZ 4.45Å; V1077-F1094 HydrophobicContact CG2-CD2 4.31Å; V1077-F1094 HydrophobicContact CG2-CE1 4.24Å; V1077-F1094 HydrophobicContact CG2-CE2 3.66Å; V1077-F1094 HydrophobicContact CG2-CZ 3.64Å; V1077-Y1099 HydrophobicContact CG1-CD1 4.35Å; V1077-Y1099 HydrophobicContact CG2-CD1 3.42Å; V1077-Y1099 VanDerWaalsContact CG2-CD1 3.42Å; V1077-Y1099 HydrophobicContact CG2-CE1 3.55Å; V1077-Y1099 HydrophobicContact CG2-CG 4.26Å; V1077-F1103 HydrophobicContact CG1-CD1 4.4Å; V1077-N1105 HydrophobicContact CG1-CB 4.3Å
1078V89.9Confident92Very high7 Ų726.7 Ų26.74%0.04215%0.146CC..  trans-128.7138.4179.9-68.20000109.3Q1076 D1080 G1081 E1083 T1092 F1094Q1076-V1078 PolarHBondContact O-N 2.96Å; V1078-D1080 PolarHBondContact O-N 3.37Å; V1078-G1081 VanDerWaalsContact CG2-C 3.43Å; V1078-G1081 PolarHBondContact O-N 3.1Å; V1078-G1081 VanDerWaalsContact O-N 3.11Å; V1078-E1083 HydrophobicContact CB-CB 4.03Å; V1078-E1083 HydrophobicContact CG1-CB 3.61Å; V1078-E1083 WeakPolarHBondContact CG1-OE2 3.32Å; V1078-T1092 HydrophobicContact CG1-CG2 3.92Å; V1078-F1094 HydrophobicContact CG2-CB 3.82Å
1079G86.3Confident92Very high30 Ų3030 Ų3031%0.30916%0.158SC..THydrogen-bonded Turntrans-58.8-44.5-168.800000114.1G1081 N1105 S1106G1079-G1081 VanDerWaalsContact C-N 3.29Å; G1079-G1081 PolarHBondContact O-N 3.06Å; G1079-N1105 CarbonylContact O-C 3.28Å; G1079-N1105 VanDerWaalsContact O-CA 3.28Å; G1079-N1105 WeakPolarHBondContact O-CA 3.45Å; G1079-S1106 PolarHBondContact O-N 3.17Å
1080D87.3Confident92.1Very high45 Ų4526.8 Ų26.824%0.24114%0.141CC..THydrogen-bonded Turntrans-83.62.4-179.4-87.7-41.8000114.1V1078 Y1082 Q1122V1078-D1080 PolarHBondContact O-N 3.37Å; D1080-Y1082 PolarHBondContact O-N 2.62Å; D1080-Q1122 VanDerWaalsContact CB-NE2 3.25Å; D1080-Q1122 WeakPolarHBondContact O-CG 3.4Å; D1080-Q1122 PolarHBondContact O-NE2 3.07Å; D1080-Q1122 PolarHBondContact OD1-NE2 2.96Å
1081G89.5Confident92.2Very high0 Ų026.2 Ų26.20%014%0.138CC..SBendtrans77.1-9.5-171.200000114.6V1078 G1079 F1094 S1106 G1108V1078-G1081 VanDerWaalsContact CG2-C 3.43Å; V1078-G1081 PolarHBondContact O-N 3.1Å; V1078-G1081 VanDerWaalsContact O-N 3.11Å; G1079-G1081 VanDerWaalsContact C-N 3.29Å; G1079-G1081 PolarHBondContact O-N 3.06Å; G1081-F1094 PolarHBondContact O-N 3.19Å; G1081-S1106 WeakPolarHBondContact CA-O 3.16Å; G1081-S1106 PolarHBondContact N-O 3.38Å; G1081-G1108 WeakPolarHBondContact O-CA 3.38Å
1082Y92.8Very high92.2Very high30 Ų3026.4 Ų26.412%0.11814%0.139CC..EExtended strand (participates in β ladder)trans-145.4155.5166.264.6-92000111.4F811 D1080 F1084 T1092 M1120 Q1122F811-Y1082 HydrophobicContact CE2-CD2 4.14Å; F811-Y1082 AromaticContact CE2-CE2 3.56Å; F811-Y1082 HydrophobicContact CE2-CE2 3.56Å; F811-Y1082 AromaticContact CE2-CZ 3.8Å; F811-Y1082 HydrophobicContact CZ-CD2 4.49Å; F811-Y1082 HydrophobicContact CZ-CE2 4.32Å; D1080-Y1082 PolarHBondContact O-N 2.62Å; Y1082-F1084 HydrophobicContact CD2-CD2 4.22Å; Y1082-F1084 AromaticContact CD2-CE2 3.81Å; Y1082-F1084 HydrophobicContact CD2-CE2 3.81Å; Y1082-F1084 HydrophobicContact CE2-CD2 4.41Å; Y1082-F1084 AromaticContact CE2-CE2 3.94Å; Y1082-F1084 HydrophobicContact CE2-CE2 3.94Å; Y1082-T1092 CarbonylContact C-O 3.6Å; Y1082-T1092 WeakPolarHBondContact CA-O 3.33Å; Y1082-M1120 HydrophobicContact CD1-CB 3.71Å; Y1082-M1120 HydrophobicContact CD1-CG 3.68Å; Y1082-M1120 HydrophobicContact CD1-SD 4.2Å; Y1082-M1120 HydrophobicContact CD2-CG 4.18Å; Y1082-M1120 HydrophobicContact CE1-CB 3.63Å; Y1082-M1120 HydrophobicContact CE1-CG 3.98Å; Y1082-M1120 HydrophobicContact CG-CB 4.32Å; Y1082-M1120 HydrophobicContact CG-CE 4.46Å; Y1082-M1120 HydrophobicContact CG-CG 3.78Å; Y1082-M1120 HydrophobicContact CG-SD 4.06Å; Y1082-Q1122 HydrophobicContact CD1-CG 4.25Å; Y1082-Q1122 HydrophobicContact CE1-CG 3.66Å
1083E93.2Very high92.2Very high51 Ų5126.4 Ų26.424%0.23814%0.139CC..EExtended strand (participates in β ladder)trans-146.4142.3173.2-169.7179.817700110.8K1038 V1078 V1091 T1092K1038-E1083 VanDerWaalsContact CE-OE1 3.27Å; K1038-E1083 WeakPolarHBondContact CE-OE1 3.49Å; K1038-E1083 IonicContact NZ-OE1 2.77Å; K1038-E1083 PolarHBondContact NZ-OE1 3Å; V1078-E1083 HydrophobicContact CB-CB 4.03Å; V1078-E1083 HydrophobicContact CG1-CB 3.61Å; V1078-E1083 WeakPolarHBondContact CG1-OE2 3.32Å; E1083-V1091 CarbonylContact O-C 3.5Å; E1083-V1091 WeakPolarHBondContact O-CA 3.39Å; E1083-T1092 PolarHBondContact N-O 3.29Å; E1083-T1092 PolarHBondContact O-N 3.38Å
1084F93Very high92.1Very high11 Ų1126.5 Ų26.55%0.04814%0.139CC..EExtended strand (participates in β ladder)trans-102.3149.8176.9-69.7-75.6000112.9Y810 F811 Y1082 N1088 L1090 V1091 M1120Y810-F1084 AromaticContact CD2-CD1 3.8Å; Y810-F1084 HydrophobicContact CD2-CD1 3.8Å; Y810-F1084 AromaticContact CD2-CE1 3.59Å; Y810-F1084 HydrophobicContact CD2-CE1 3.59Å; Y810-F1084 HydrophobicContact CG-CD1 4.2Å; Y810-F1084 AromaticContact CG-CE1 3.84Å; Y810-F1084 HydrophobicContact CG-CE1 3.84Å; Y810-F1084 HydrophobicContact CG-CZ 4.39Å; Y810-F1084 VanDerWaalsContact N-CE2 3.33Å; F811-F1084 HydrophobicContact CD2-CE2 4.15Å; F811-F1084 HydrophobicContact CE1-CZ 4.22Å; F811-F1084 AromaticContact CE2-CE2 3.34Å; F811-F1084 HydrophobicContact CE2-CE2 3.34Å; F811-F1084 AromaticContact CE2-CZ 3.65Å; F811-F1084 HydrophobicContact CE2-CZ 3.65Å; F811-F1084 AromaticContact CZ-CE2 3.54Å; F811-F1084 HydrophobicContact CZ-CE2 3.54Å; F811-F1084 AromaticContact CZ-CZ 3.32Å; F811-F1084 HydrophobicContact CZ-CZ 3.32Å; Y1082-F1084 HydrophobicContact CD2-CD2 4.22Å; Y1082-F1084 AromaticContact CD2-CE2 3.81Å; Y1082-F1084 HydrophobicContact CD2-CE2 3.81Å; Y1082-F1084 HydrophobicContact CE2-CD2 4.41Å; Y1082-F1084 AromaticContact CE2-CE2 3.94Å; Y1082-F1084 HydrophobicContact CE2-CE2 3.94Å; F1084-N1088 HydrophobicContact CD1-CB 4.33Å; F1084-L1090 WeakPolarHBondContact CA-O 3.44Å; F1084-V1091 HydrophobicContact CD1-CB 3.7Å; F1084-V1091 HydrophobicContact CD1-CG2 3.72Å; F1084-V1091 HydrophobicContact CE1-CB 3.51Å; F1084-V1091 HydrophobicContact CE1-CG2 3.33Å; F1084-V1091 HydrophobicContact CG-CG2 4.44Å; F1084-V1091 HydrophobicContact CZ-CG2 3.9Å; F1084-M1120 HydrophobicContact CE1-CE 4.48Å; F1084-M1120 HydrophobicContact CZ-CE 4.06Å
1085F91.9Very high92.1Very high20 Ų2026.5 Ų26.59%0.08814%0.14CC..EExtended strand (participates in β ladder)trans-141.4155.8-178.8-174.1-103.6000110.8P1036 K1038 A1056 V1059 N1088 R1089 L1090P1036-F1085 HydrophobicContact CB-CD1 3.73Å; P1036-F1085 HydrophobicContact CB-CD2 4.24Å; P1036-F1085 HydrophobicContact CB-CE1 3.72Å; P1036-F1085 HydrophobicContact CB-CE2 4.23Å; P1036-F1085 HydrophobicContact CB-CG 4Å; P1036-F1085 HydrophobicContact CB-CZ 3.98Å; K1038-F1085 HydrophobicContact CB-CE2 4.28Å; K1038-F1085 HydrophobicContact CG-CD2 3.86Å; K1038-F1085 HydrophobicContact CG-CE2 3.62Å; A1056-F1085 HydrophobicContact CB-CE1 4.07Å; A1056-F1085 HydrophobicContact CB-CZ 4.03Å; V1059-F1085 HydrophobicContact CG2-CD1 3.97Å; V1059-F1085 HydrophobicContact CG2-CE1 3.89Å; F1085-N1088 CarbonylContact O-C 3.6Å; F1085-N1088 WeakPolarHBondContact O-CA 3.32Å; F1085-N1088 PolarHBondContact O-N 3.41Å; F1085-R1089 PolarHBondContact O-N 3.03Å; F1085-L1090 HydrophobicContact CB-CB 4.22Å; F1085-L1090 HydrophobicContact CB-CD2 3.81Å; F1085-L1090 HydrophobicContact CD1-CB 4.37Å; F1085-L1090 PolarHBondContact N-O 3.35Å; F1085-L1090 PolarHBondContact O-N 3.22Å
1086A91.2Very high92Very high10 Ų1026 Ų268%0.08314%0.138CC..THydrogen-bonded Turntrans53.460175.900000115.3A1056 V1059 N1088 R1089A1056-A1086 HydrophobicContact CB-CB 3.7Å; V1059-A1086 HydrophobicContact CB-CB 3.7Å; V1059-A1086 HydrophobicContact CG1-CB 3.81Å; V1059-A1086 HydrophobicContact CG2-CB 4.21Å; A1086-N1088 PolarHBondContact O-N 3.42Å; A1086-R1089 HydrophobicContact CB-CB 4.48Å; A1086-R1089 VanDerWaalsContact O-CB 3.31Å; A1086-R1089 WeakPolarHBondContact O-CB 3.49Å; A1086-R1089 WeakPolarHBondContact O-CG 3.17Å; A1086-R1089 PolarHBondContact O-N 3.21Å; A1086-R1089 VanDerWaalsContact O-N 3.07Å
1087D87.6Confident92Very high134 Ų13423.9 Ų23.972%0.71713%0.128SC*.THydrogen-bonded Turntrans49.647.4-175.2-61.4-41.1000111.4R1089D1087-R1089 PolarHBondContact O-N 3.37Å
1088N89.5Confident91.7Very high27 Ų2723.6 Ų23.614%0.14412%0.124CC..THydrogen-bonded Turntrans73.7-20.9-176.4-56.3-41.2000117.8K809 Y810 F1084 F1085 A1086 L1090K809-N1088 WeakPolarHBondContact CA-OD1 3.39Å; K809-N1088 VanDerWaalsContact CB-CG 3.44Å; K809-N1088 WeakPolarHBondContact CB-ND2 3.47Å; K809-N1088 WeakPolarHBondContact CB-OD1 3.32Å; K809-N1088 PolarHBondContact O-ND2 2.82Å; K809-N1088 PolarHBondContact O-OD1 2.74Å; Y810-N1088 HydrophobicContact CD1-CB 3.48Å; Y810-N1088 VanDerWaalsContact CD1-CB 3.48Å; Y810-N1088 HydrophobicContact CD2-CB 3.25Å; Y810-N1088 WeakPolarHBondContact CD2-O 3.4Å; Y810-N1088 HydrophobicContact CE1-CB 3.47Å; Y810-N1088 VanDerWaalsContact CE1-CB 3.47Å; Y810-N1088 HydrophobicContact CE2-CB 3.28Å; Y810-N1088 WeakPolarHBondContact CE2-O 3.24Å; Y810-N1088 HydrophobicContact CG-CB 3.3Å; Y810-N1088 PolarHBondContact N-OD1 3.09Å; F1084-N1088 HydrophobicContact CD1-CB 4.33Å; F1085-N1088 CarbonylContact O-C 3.6Å; F1085-N1088 WeakPolarHBondContact O-CA 3.32Å; F1085-N1088 PolarHBondContact O-N 3.41Å; A1086-N1088 PolarHBondContact O-N 3.42Å; N1088-L1090 CarbonylContact O-C 3.54Å; N1088-L1090 PolarHBondContact O-N 2.93Å
1089R92.8Very high91.3Very high76 Ų7624 Ų2429%0.28713%0.125SC..THydrogen-bonded Turntrans-52.4-13.3-173.6-64.6172.7177.3-104.4-4.1115.8V1059 M1070 V1071 F1085 A1086 D1087V1059-R1089 HydrophobicContact CG1-CB 3.86Å; M1070-R1089 CarbonylContact C-O 3.46Å; M1070-R1089 VanDerWaalsContact CA-O 3.28Å; M1070-R1089 WeakPolarHBondContact CA-O 3.09Å; V1071-R1089 PolarHBondContact N-O 3.08Å; F1085-R1089 PolarHBondContact O-N 3.03Å; A1086-R1089 HydrophobicContact CB-CB 4.48Å; A1086-R1089 VanDerWaalsContact O-CB 3.31Å; A1086-R1089 WeakPolarHBondContact O-CB 3.49Å; A1086-R1089 WeakPolarHBondContact O-CG 3.17Å; A1086-R1089 PolarHBondContact O-N 3.21Å; A1086-R1089 VanDerWaalsContact O-N 3.07Å; D1087-R1089 PolarHBondContact O-N 3.37Å
1090L95Very high90.7Very high0 Ų023.8 Ų23.80%012%0.119CC..EExtended strand (participates in β ladder)trans-124.8139.2164.8179.5152.7000110.8P1036 F1054 V1059 V1071 R1073 F1084 F1085 N1088P1036-L1090 HydrophobicContact CG-CD2 4.1Å; F1054-L1090 HydrophobicContact CE2-CD1 3.91Å; F1054-L1090 HydrophobicContact CZ-CD1 4.01Å; V1059-L1090 HydrophobicContact CG1-CB 3.9Å; V1059-L1090 HydrophobicContact CG2-CB 4.38Å; V1059-L1090 HydrophobicContact CG2-CD1 4.1Å; V1071-L1090 HydrophobicContact CB-CB 4.23Å; V1071-L1090 HydrophobicContact CB-CD1 4.2Å; V1071-L1090 HydrophobicContact CB-CG 4.17Å; V1071-L1090 HydrophobicContact CG1-CD1 3.9Å; V1071-L1090 HydrophobicContact CG1-CG 4.16Å; V1071-L1090 CarbonylContact O-C 3.13Å; V1071-L1090 VanDerWaalsContact O-CA 3.24Å; V1071-L1090 WeakPolarHBondContact O-CA 3.48Å; R1073-L1090 HydrophobicContact CG-CD1 4.32Å; R1073-L1090 HydrophobicContact CG-CD2 3.93Å; R1073-L1090 HydrophobicContact CG-CG 4.19Å; F1084-L1090 WeakPolarHBondContact CA-O 3.44Å; F1085-L1090 HydrophobicContact CB-CB 4.22Å; F1085-L1090 HydrophobicContact CB-CD2 3.81Å; F1085-L1090 HydrophobicContact CD1-CB 4.37Å; F1085-L1090 PolarHBondContact N-O 3.35Å; F1085-L1090 PolarHBondContact O-N 3.22Å; N1088-L1090 CarbonylContact O-C 3.54Å; N1088-L1090 PolarHBondContact O-N 2.93Å
1091V95.3Very high89.7Confident0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-123.2131.7170.466.70000110.7M1070 V1071 A1072 R1073 E1083 F1084 I1093 M1110 M1120M1070-V1091 HydrophobicContact CG-CG1 4.49Å; M1070-V1091 HydrophobicContact SD-CB 4.37Å; M1070-V1091 HydrophobicContact SD-CG1 3.77Å; V1071-V1091 PolarHBondContact O-N 2.81Å; A1072-V1091 CarbonylContact C-O 3.51Å; A1072-V1091 WeakPolarHBondContact CA-O 3.4Å; A1072-V1091 HydrophobicContact CB-CG1 3.78Å; R1073-V1091 WeakPolarHBondContact CG-O 3.37Å; R1073-V1091 PolarHBondContact N-O 3.1Å; E1083-V1091 CarbonylContact O-C 3.5Å; E1083-V1091 WeakPolarHBondContact O-CA 3.39Å; F1084-V1091 HydrophobicContact CD1-CB 3.7Å; F1084-V1091 HydrophobicContact CD1-CG2 3.72Å; F1084-V1091 HydrophobicContact CE1-CB 3.51Å; F1084-V1091 HydrophobicContact CE1-CG2 3.33Å; F1084-V1091 HydrophobicContact CG-CG2 4.44Å; F1084-V1091 HydrophobicContact CZ-CG2 3.9Å; V1091-I1093 HydrophobicContact CG1-CD1 4.47Å; V1091-I1093 HydrophobicContact CG1-CG1 4.46Å; V1091-I1093 HydrophobicContact CG2-CG1 4.25Å; V1091-M1110 HydrophobicContact CG1-CE 4.26Å; V1091-M1110 HydrophobicContact CG1-SD 4.15Å; V1091-M1120 HydrophobicContact CG2-CE 3.51Å
1092T96.8Very high88.8Confident5 Ų531.1 Ų31.13%0.03116%0.162CC..EExtended strand (participates in β ladder)trans-97.6128.8168.5-60.60000108.2R1073 A1074 Q1076 V1078 Y1082 E1083R1073-T1092 WeakPolarHBondContact CD-OG1 3.2Å; R1073-T1092 CarbonylContact O-C 3.59Å; R1073-T1092 WeakPolarHBondContact O-CA 3.32Å; A1074-T1092 WeakPolarHBondContact O-CG2 3.42Å; Q1076-T1092 HydrophobicContact CB-CG2 4.17Å; Q1076-T1092 WeakPolarHBondContact O-CG2 3.46Å; V1078-T1092 HydrophobicContact CG1-CG2 3.92Å; Y1082-T1092 CarbonylContact C-O 3.6Å; Y1082-T1092 WeakPolarHBondContact CA-O 3.33Å; E1083-T1092 PolarHBondContact N-O 3.29Å; E1083-T1092 PolarHBondContact O-N 3.38Å
1093I96.3Very high87.4Confident0 Ų033.5 Ų33.50%017%0.173CC..EExtended strand (participates in β ladder)trans-119.1131178.5-56.1169.4000107.4I888 G890 R1073 A1074 V1091 G1108 M1110 M1120I888-I1093 HydrophobicContact CB-CD1 4.24Å; I888-I1093 HydrophobicContact CG2-CD1 4.02Å; G890-I1093 WeakPolarHBondContact CA-O 3.32Å; R1073-I1093 PolarHBondContact O-N 3.03Å; A1074-I1093 WeakPolarHBondContact CA-O 3.28Å; A1074-I1093 WeakPolarHBondContact CB-O 3.29Å; V1091-I1093 HydrophobicContact CG1-CD1 4.47Å; V1091-I1093 HydrophobicContact CG1-CG1 4.46Å; V1091-I1093 HydrophobicContact CG2-CG1 4.25Å; I1093-G1108 VanDerWaalsContact CG2-O 3.29Å; I1093-G1108 WeakPolarHBondContact CG2-O 3.14Å; I1093-M1110 HydrophobicContact CD1-CB 3.58Å; I1093-M1110 HydrophobicContact CD1-CE 4.18Å; I1093-M1110 HydrophobicContact CD1-SD 4.48Å; I1093-M1120 HydrophobicContact CD1-CE 4.45Å; I1093-M1120 HydrophobicContact CG1-CE 4.32Å; I1093-M1120 HydrophobicContact CG1-SD 4.5Å
1094F95.3Very high86.8Confident1 Ų137.4 Ų37.40%0.00420%0.196CC..BIsolated β-bridgetrans-130.4111.4177.3-163.5-88.5000108.4D891 H893 Q1076 V1077 V1078 G1081 A1096 Y1099 G1107 G1108D891-F1094 HydrophobicContact CB-CD2 3.77Å; D891-F1094 HydrophobicContact CB-CE2 3.48Å; D891-F1094 VanDerWaalsContact CB-CE2 3.48Å; D891-F1094 HydrophobicContact CB-CZ 3.98Å; D891-F1094 WeakPolarHBondContact OD2-CD2 3.29Å; D891-F1094 WeakPolarHBondContact OD2-CE2 3.42Å; H893-F1094 AromaticContact CD2-CZ 3.95Å; Q1076-F1094 WeakPolarHBondContact O-CD2 3.43Å; V1077-F1094 HydrophobicContact CB-CD2 4.45Å; V1077-F1094 HydrophobicContact CB-CE2 4.27Å; V1077-F1094 HydrophobicContact CB-CZ 4.37Å; V1077-F1094 HydrophobicContact CG1-CD1 4.35Å; V1077-F1094 HydrophobicContact CG1-CE1 4.24Å; V1077-F1094 HydrophobicContact CG1-CZ 4.45Å; V1077-F1094 HydrophobicContact CG2-CD2 4.31Å; V1077-F1094 HydrophobicContact CG2-CE1 4.24Å; V1077-F1094 HydrophobicContact CG2-CE2 3.66Å; V1077-F1094 HydrophobicContact CG2-CZ 3.64Å; V1078-F1094 HydrophobicContact CG2-CB 3.82Å; G1081-F1094 PolarHBondContact O-N 3.19Å; F1094-A1096 HydrophobicContact CD1-CB 3.98Å; F1094-A1096 WeakPolarHBondContact CD1-O 3.13Å; F1094-A1096 HydrophobicContact CE1-CB 3.37Å; F1094-A1096 WeakPolarHBondContact CE1-O 3.38Å; F1094-A1096 HydrophobicContact CZ-CB 4.05Å; F1094-Y1099 HydrophobicContact CE1-CD1 4.45Å; F1094-Y1099 AromaticContact CE1-CD2 3.93Å; F1094-Y1099 HydrophobicContact CE1-CD2 3.93Å; F1094-Y1099 AromaticContact CE1-CG 3.8Å; F1094-Y1099 HydrophobicContact CE1-CG 3.8Å; F1094-Y1099 HydrophobicContact CZ-CD1 4.05Å; F1094-Y1099 AromaticContact CZ-CD2 3.65Å; F1094-Y1099 HydrophobicContact CZ-CD2 3.65Å; F1094-Y1099 HydrophobicContact CZ-CE1 4.26Å; F1094-Y1099 AromaticContact CZ-CE2 3.92Å; F1094-Y1099 HydrophobicContact CZ-CE2 3.92Å; F1094-Y1099 AromaticContact CZ-CG 3.69Å; F1094-Y1099 HydrophobicContact CZ-CG 3.69Å; F1094-G1107 CarbonylContact O-C 3.48Å; F1094-G1107 VanDerWaalsContact O-CA 3.32Å; F1094-G1107 WeakPolarHBondContact O-CA 3.44Å; F1094-G1108 PolarHBondContact O-N 3.35Å
1095S95.2Very high86.6Confident1 Ų137.2 Ų37.21%0.00720%0.195CC..  trans-93.4-1.5-167.8-63.60000114.4C889 G890 D891 P1097 G1108C889-S1095 WeakPolarHBondContact CA-OG 3.25Å; G890-S1095 PolarHBondContact N-OG 2.95Å; D891-S1095 CarbonylContact O-C 3.49Å; D891-S1095 WeakPolarHBondContact O-CA 3.35Å; D891-S1095 WeakPolarHBondContact O-CB 3.38Å; D891-S1095 PolarHBondContact O-N 2.91Å; S1095-P1097 WeakPolarHBondContact O-CD 3.44Å; S1095-G1108 WeakPolarHBondContact CA-O 3.32Å; S1095-G1108 WeakPolarHBondContact CB-O 3.45Å; S1095-G1108 PolarHBondContact OG-O 2.91Å
1096A92Very high86.4Confident1 Ų137 Ų371%0.00820%0.196CC..  trans-94.297.2-178.300000111.3D891 Q895 F1094 Y1099 N1105D891-A1096 WeakPolarHBondContact O-CB 3.32Å; D891-A1096 PolarHBondContact O-N 2.95Å; Q895-A1096 VanDerWaalsContact OE1-CA 3.25Å; F1094-A1096 HydrophobicContact CD1-CB 3.98Å; F1094-A1096 WeakPolarHBondContact CD1-O 3.13Å; F1094-A1096 HydrophobicContact CE1-CB 3.37Å; F1094-A1096 WeakPolarHBondContact CE1-O 3.38Å; F1094-A1096 HydrophobicContact CZ-CB 4.05Å; A1096-Y1099 HydrophobicContact CB-CD2 4.32Å; A1096-N1105 PolarHBondContact O-ND2 3.2Å
1097P90.2Very high86.4Confident1 Ų136.5 Ų36.51%0.00619%0.192CC..THydrogen-bonded Turntrans-73152.1175.632.5-36.2000111.3Q895 D898 S1095 Y1099 N1105 L1123 P1125Q895-P1097 PolarHBondContact NE2-O 3.1Å; Q895-P1097 PolarHBondContact OE1-O 3.33Å; D898-P1097 HydrophobicContact CB-CG 3.81Å; D898-P1097 VanDerWaalsContact OD1-CG 3.3Å; D898-P1097 WeakPolarHBondContact OD1-CG 3.08Å; S1095-P1097 WeakPolarHBondContact O-CD 3.44Å; P1097-Y1099 VanDerWaalsContact C-N 3.28Å; P1097-Y1099 PolarHBondContact O-N 3.4Å; P1097-N1105 WeakPolarHBondContact CA-O 3.28Å; P1097-L1123 HydrophobicContact CG-CD2 4.04Å; P1097-P1125 HydrophobicContact CB-CB 4.47Å
1098N85.4Confident86.6Confident45 Ų4530.1 Ų30.124%0.24116%0.158CC..THydrogen-bonded Turntrans47.749.2-173.5-159.923.2000112.9C1100 S1101 F1103 N1105 P1125N1098-C1100 PolarHBondContact O-N 2.81Å; N1098-S1101 WeakPolarHBondContact O-CA 3.32Å; N1098-S1101 PolarHBondContact O-N 3.5Å; N1098-F1103 CarbonylContact C-O 3.59Å; N1098-F1103 WeakPolarHBondContact CA-O 3.45Å; N1098-F1103 PolarHBondContact OD1-O 3.3Å; N1098-N1105 PolarHBondContact N-O 2.63Å; N1098-P1125 HydrophobicContact CB-CB 3.81Å
1099Y80.2Confident86.8Confident15 Ų1528.9 Ų28.96%0.05915%0.151CC..BIsolated β-bridgetrans-54.5138.5-171.4177.4-122.2000111.5H893 R923 V1077 F1094 A1096 P1097 S1101 E1102 F1103 N1105H893-Y1099 HydrophobicContact CB-CD2 4.37Å; H893-Y1099 HydrophobicContact CB-CE2 3.75Å; H893-Y1099 AromaticContact CD2-CD2 3.99Å; H893-Y1099 AromaticContact CD2-CE2 3.12Å; H893-Y1099 WeakPolarHBondContact CD2-CE2 3.34Å; H893-Y1099 AromaticContact CD2-CZ 3.62Å; H893-Y1099 PolarHBondContact CD2-OH 2.99Å; H893-Y1099 AromaticContact CG-CE2 3.55Å; H893-Y1099 AromaticContact NE2-CE2 3.72Å; H893-Y1099 AromaticContact NE2-CZ 3.7Å; H893-Y1099 PolarHBondContact NE2-OH 3.31Å; H893-Y1099 VanDerWaalsContact NE2-OH 3.11Å; R923-Y1099 HydrophobicContact CB-CE2 4.01Å; R923-Y1099 HydrophobicContact CG-CE2 4.25Å; R923-Y1099 WeakPolarHBondContact CG-OH 3.22Å; V1077-Y1099 HydrophobicContact CG1-CD1 4.35Å; V1077-Y1099 HydrophobicContact CG2-CD1 3.42Å; V1077-Y1099 VanDerWaalsContact CG2-CD1 3.42Å; V1077-Y1099 HydrophobicContact CG2-CE1 3.55Å; V1077-Y1099 HydrophobicContact CG2-CG 4.26Å; F1094-Y1099 HydrophobicContact CE1-CD1 4.45Å; F1094-Y1099 AromaticContact CE1-CD2 3.93Å; F1094-Y1099 HydrophobicContact CE1-CD2 3.93Å; F1094-Y1099 AromaticContact CE1-CG 3.8Å; F1094-Y1099 HydrophobicContact CE1-CG 3.8Å; F1094-Y1099 HydrophobicContact CZ-CD1 4.05Å; F1094-Y1099 AromaticContact CZ-CD2 3.65Å; F1094-Y1099 HydrophobicContact CZ-CD2 3.65Å; F1094-Y1099 HydrophobicContact CZ-CE1 4.26Å; F1094-Y1099 AromaticContact CZ-CE2 3.92Å; F1094-Y1099 HydrophobicContact CZ-CE2 3.92Å; F1094-Y1099 AromaticContact CZ-CG 3.69Å; F1094-Y1099 HydrophobicContact CZ-CG 3.69Å; A1096-Y1099 HydrophobicContact CB-CD2 4.32Å; P1097-Y1099 VanDerWaalsContact C-N 3.28Å; P1097-Y1099 PolarHBondContact O-N 3.4Å; Y1099-S1101 PolarHBondContact O-N 3.49Å; Y1099-E1102 PolarHBondContact O-N 3.32Å; Y1099-F1103 AromaticContact CD1-CD2 3.88Å; Y1099-F1103 HydrophobicContact CD1-CD2 3.88Å; Y1099-F1103 HydrophobicContact CD1-CE2 4.27Å; Y1099-F1103 HydrophobicContact CD1-CG 4.27Å; Y1099-F1103 PolarHBondContact N-O 2.94Å; Y1099-F1103 VanDerWaalsContact O-CD2 3.32Å; Y1099-F1103 WeakPolarHBondContact O-CD2 3.48Å; Y1099-F1103 PolarHBondContact O-N 3.26Å; Y1099-N1105 VanDerWaalsContact CB-OD1 3.3Å; Y1099-N1105 WeakPolarHBondContact CB-OD1 3.22Å; Y1099-N1105 PolarHBondContact N-OD1 3.09Å
1100C73.4Confident86.9Confident27 Ų2725.2 Ų25.218%0.18214%0.137CC..THydrogen-bonded Turntrans5314.7-172.3-63.70000115.2N1098 E1102 F1103N1098-C1100 PolarHBondContact O-N 2.81Å; C1100-E1102 HydrophobicContact CB-CB 4.44Å; C1100-E1102 PolarHBondContact O-N 3.23Å; C1100-F1103 HydrophobicContact CB-CD2 4.32Å; C1100-F1103 HydrophobicContact CB-CE2 4.48Å
1101S67.3Low86.9Confident92 Ų9227.3 Ų27.364%0.64315%0.147SC*.THydrogen-bonded Turntrans59.914.7-168.5-57.60000114.7N1098 Y1099N1098-S1101 WeakPolarHBondContact O-CA 3.32Å; N1098-S1101 PolarHBondContact O-N 3.5Å; Y1099-S1101 PolarHBondContact O-N 3.49Å
1102E69.4Low86.8Confident107 Ų10727.3 Ų27.350%0.515%0.147SC..THydrogen-bonded Turntrans-121.1-37.6-172.6-74.4166.3-156.300112Y1099 C1100 N1104Y1099-E1102 PolarHBondContact O-N 3.32Å; C1100-E1102 HydrophobicContact CB-CB 4.44Å; C1100-E1102 PolarHBondContact O-N 3.23Å; E1102-N1104 PolarHBondContact O-N 2.87Å
1103F64.2Low86.6Confident80 Ų8029.3 Ų29.335%0.35116%0.157SC..BIsolated β-bridgetrans-90.1109.2-175.6-66.7-100.1000107.4V1077 N1098 Y1099 C1100 N1105V1077-F1103 HydrophobicContact CG1-CD1 4.4Å; N1098-F1103 CarbonylContact C-O 3.59Å; N1098-F1103 WeakPolarHBondContact CA-O 3.45Å; N1098-F1103 PolarHBondContact OD1-O 3.3Å; Y1099-F1103 AromaticContact CD1-CD2 3.88Å; Y1099-F1103 HydrophobicContact CD1-CD2 3.88Å; Y1099-F1103 HydrophobicContact CD1-CE2 4.27Å; Y1099-F1103 HydrophobicContact CD1-CG 4.27Å; Y1099-F1103 PolarHBondContact N-O 2.94Å; Y1099-F1103 VanDerWaalsContact O-CD2 3.32Å; Y1099-F1103 WeakPolarHBondContact O-CD2 3.48Å; Y1099-F1103 PolarHBondContact O-N 3.26Å; C1100-F1103 HydrophobicContact CB-CD2 4.32Å; C1100-F1103 HydrophobicContact CB-CE2 4.48Å; F1103-N1105 WeakPolarHBondContact CB-OD1 3.39Å; F1103-N1105 PolarHBondContact O-N 2.97Å; F1103-N1105 PolarHBondContact O-OD1 3.2Å
1104N80.8Confident86.2Confident133 Ų13336.9 Ų36.971%0.71119%0.192SC*.  trans-68.434.5178.2-166.443.2000113.4E1102E1102-N1104 PolarHBondContact O-N 2.87Å
1105N88.7Confident85.8Confident6 Ų645.7 Ų45.73%0.03223%0.231CC..PPolyproline II helixtrans-78.5151.2179.373.7-77.1000111.2V1077 G1079 A1096 P1097 N1098 Y1099 F1103V1077-N1105 HydrophobicContact CG1-CB 4.3Å; G1079-N1105 CarbonylContact O-C 3.28Å; G1079-N1105 VanDerWaalsContact O-CA 3.28Å; G1079-N1105 WeakPolarHBondContact O-CA 3.45Å; A1096-N1105 PolarHBondContact O-ND2 3.2Å; P1097-N1105 WeakPolarHBondContact CA-O 3.28Å; N1098-N1105 PolarHBondContact N-O 2.63Å; Y1099-N1105 VanDerWaalsContact CB-OD1 3.3Å; Y1099-N1105 WeakPolarHBondContact CB-OD1 3.22Å; Y1099-N1105 PolarHBondContact N-OD1 3.09Å; F1103-N1105 WeakPolarHBondContact CB-OD1 3.39Å; F1103-N1105 PolarHBondContact O-N 2.97Å; F1103-N1105 PolarHBondContact O-OD1 3.2Å
1106S88.8Confident85.3Confident15 Ų1548.2 Ų48.211%0.10524%0.244CC..PPolyproline II helixtrans-79.2154.4164.7-62.20000110.2G1079 G1081 N1124G1079-S1106 PolarHBondContact O-N 3.17Å; G1081-S1106 WeakPolarHBondContact CA-O 3.16Å; G1081-S1106 PolarHBondContact N-O 3.38Å; S1106-N1124 PolarHBondContact OG-OD1 3.36Å
1107G90.5Very high84.9Confident0 Ų050.6 Ų50.60%026%0.263CS..EExtended strand (participates in β ladder)trans-84.6151.716400000109.7F1094 Q1122 L1123F1094-G1107 CarbonylContact O-C 3.48Å; F1094-G1107 VanDerWaalsContact O-CA 3.32Å; F1094-G1107 WeakPolarHBondContact O-CA 3.44Å; G1107-Q1122 CarbonylContact O-C 3.5Å; G1107-Q1122 WeakPolarHBondContact O-CA 3.37Å; G1107-L1123 PolarHBondContact N-O 2.76Å; G1107-L1123 PolarHBondContact O-N 2.79Å
1108G91.2Very high84.9Confident0 Ų051.4 Ų51.40%027%0.269CS..EExtended strand (participates in β ladder)trans-131.6152.4177.600000112.5G1081 I1093 F1094 S1095 T1121G1081-G1108 WeakPolarHBondContact O-CA 3.38Å; I1093-G1108 VanDerWaalsContact CG2-O 3.29Å; I1093-G1108 WeakPolarHBondContact CG2-O 3.14Å; F1094-G1108 PolarHBondContact O-N 3.35Å; S1095-G1108 WeakPolarHBondContact CA-O 3.32Å; S1095-G1108 WeakPolarHBondContact CB-O 3.45Å; S1095-G1108 PolarHBondContact OG-O 2.91Å; G1108-T1121 WeakPolarHBondContact CA-O 3.13Å
1109M94.1Very high85.1Confident1 Ų155 Ų551%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-144.3145.9166.258.1176.3130.900110.6W887 I888 L902 H905 M1120 T1121W887-M1109 HydrophobicContact CD2-SD 4.29Å; W887-M1109 HydrophobicContact CE3-CB 4.17Å; W887-M1109 HydrophobicContact CE3-CG 3.74Å; W887-M1109 HydrophobicContact CE3-SD 3.63Å; W887-M1109 HydrophobicContact CH2-SD 4.45Å; W887-M1109 HydrophobicContact CZ3-CB 4.44Å; W887-M1109 HydrophobicContact CZ3-CG 3.63Å; W887-M1109 HydrophobicContact CZ3-SD 3.73Å; I888-M1109 WeakPolarHBondContact O-CA 3.1Å; L902-M1109 HydrophobicContact CB-CE 4.24Å; L902-M1109 HydrophobicContact CD2-CB 4.47Å; L902-M1109 HydrophobicContact CD2-CE 3.63Å; L902-M1109 HydrophobicContact CD2-CG 4.42Å; L902-M1109 HydrophobicContact CD2-SD 4.13Å; H905-M1109 HydrophobicContact CB-CE 3.62Å; M1109-M1120 WeakPolarHBondContact O-CA 3.47Å; M1109-T1121 HydrophobicContact CE-CG2 4.26Å; M1109-T1121 PolarHBondContact N-O 3.2Å; M1109-T1121 PolarHBondContact O-N 3.43Å
1110M95Very high85.5Confident0 Ų055.3 Ų55.30%028%0.281CS..EExtended strand (participates in β ladder)trans-107.1122.9-178.4-171.9170.165.200110.9W887 I888 M1070 A1072 V1091 I1093 V1112 C1118 M1120W887-M1110 CarbonylContact C-O 3.6Å; W887-M1110 WeakPolarHBondContact CA-O 3.4Å; I888-M1110 HydrophobicContact CB-CB 4.33Å; I888-M1110 HydrophobicContact CB-CE 4.43Å; I888-M1110 HydrophobicContact CD1-CE 3.63Å; I888-M1110 HydrophobicContact CG1-CE 4.32Å; I888-M1110 PolarHBondContact N-O 3.15Å; I888-M1110 PolarHBondContact O-N 3.27Å; M1070-M1110 HydrophobicContact SD-SD 4.46Å; A1072-M1110 HydrophobicContact CB-CE 4.05Å; V1091-M1110 HydrophobicContact CG1-CE 4.26Å; V1091-M1110 HydrophobicContact CG1-SD 4.15Å; I1093-M1110 HydrophobicContact CD1-CB 3.58Å; I1093-M1110 HydrophobicContact CD1-CE 4.18Å; I1093-M1110 HydrophobicContact CD1-SD 4.48Å; M1110-V1112 HydrophobicContact CE-CG2 3.89Å; M1110-V1112 HydrophobicContact CG-CG2 4.38Å; M1110-C1118 HydrophobicContact CG-CB 4.12Å; M1110-C1118 HydrophobicContact SD-CB 3.84Å; M1110-M1120 HydrophobicContact CB-CE 3.64Å; M1110-M1120 HydrophobicContact CB-SD 3.47Å; M1110-M1120 WeakPolarHBondContact CB-SD 2.97Å; M1110-M1120 HydrophobicContact CG-CE 3.56Å; M1110-M1120 HydrophobicContact CG-SD 3.9Å; M1110-M1120 HydrophobicContact SD-CE 3.42Å; M1110-M1120 WeakPolarHBondContact SD-CE 3.4Å
1111F95.5Very high86.1Confident44 Ų4455.1 Ų55.119%0.19328%0.28CS..EExtended strand (participates in β ladder)trans-89.8128.9165.6-176.3-115.4000109.8P885 W887 D1113 C1118 R1119P885-F1111 HydrophobicContact CB-CE2 3.87Å; P885-F1111 HydrophobicContact CB-CZ 3.72Å; W887-F1111 AromaticContact CD1-CD2 3.89Å; W887-F1111 HydrophobicContact CD2-CB 3.89Å; W887-F1111 AromaticContact CD2-CD2 3.8Å; W887-F1111 HydrophobicContact CD2-CD2 3.8Å; W887-F1111 HydrophobicContact CD2-CG 4.29Å; W887-F1111 AromaticContact CE2-CD2 3.56Å; W887-F1111 HydrophobicContact CE3-CB 3.68Å; W887-F1111 HydrophobicContact CE3-CD2 4.47Å; W887-F1111 HydrophobicContact CG-CD2 4.01Å; W887-F1111 HydrophobicContact CH2-CB 3.71Å; W887-F1111 HydrophobicContact CH2-CG 4.42Å; W887-F1111 HydrophobicContact CZ2-CB 3.89Å; W887-F1111 HydrophobicContact CZ2-CD2 4.06Å; W887-F1111 HydrophobicContact CZ2-CG 4.12Å; W887-F1111 HydrophobicContact CZ3-CB 3.59Å; W887-F1111 AromaticContact NE1-CD2 3.63Å; F1111-D1113 HydrophobicContact CD1-CB 4.37Å; F1111-D1113 HydrophobicContact CE1-CB 3.72Å; F1111-D1113 HydrophobicContact CZ-CB 4.38Å; F1111-C1118 CarbonylContact O-C 3.6Å; F1111-C1118 VanDerWaalsContact O-CA 3.29Å; F1111-C1118 WeakPolarHBondContact O-CA 3.09Å; F1111-R1119 HydrophobicContact CB-CB 4.45Å; F1111-R1119 PolarHBondContact N-O 2.67Å; F1111-R1119 PolarHBondContact O-N 2.54Å
1112V93.8Very high87.1Confident0 Ų054.1 Ų54.10%027%0.265CS..EExtended strand (participates in β ladder)trans-109.5118.8169.6-175.90000107.2A884 P885 V886 I888 V992 I996 M1110 L1116A884-V1112 HydrophobicContact CB-CG1 4.19Å; P885-V1112 CarbonylContact C-O 3.37Å; P885-V1112 WeakPolarHBondContact CA-O 3.38Å; V886-V1112 HydrophobicContact CG1-CB 4.13Å; V886-V1112 PolarHBondContact N-O 3.23Å; V886-V1112 PolarHBondContact O-N 2.89Å; I888-V1112 HydrophobicContact CD1-CG2 4.05Å; I888-V1112 HydrophobicContact CG1-CG2 4.46Å; V992-V1112 HydrophobicContact CG1-CG1 4.46Å; I996-V1112 HydrophobicContact CD1-CG1 3.94Å; I996-V1112 HydrophobicContact CD1-CG2 3.95Å; M1110-V1112 HydrophobicContact CE-CG2 3.89Å; M1110-V1112 HydrophobicContact CG-CG2 4.38Å; V1112-L1116 HydrophobicContact CG1-CD2 4.01Å
1113D90.9Very high87.9Confident47 Ų4749.2 Ų49.225%0.25124%0.242SC..  trans-83.6177.417880.23.1000112.7A884 F1111 K1115 L1116 A1117A884-D1113 WeakPolarHBondContact CB-O 3.41Å; F1111-D1113 HydrophobicContact CD1-CB 4.37Å; F1111-D1113 HydrophobicContact CE1-CB 3.72Å; F1111-D1113 HydrophobicContact CZ-CB 4.38Å; D1113-K1115 PolarHBondContact O-N 3.22Å; D1113-K1115 VanDerWaalsContact OD1-C 3.28Å; D1113-K1115 VanDerWaalsContact OD1-CA 3.31Å; D1113-K1115 WeakPolarHBondContact OD1-CA 3.19Å; D1113-K1115 WeakPolarHBondContact OD1-CB 3.19Å; D1113-K1115 PolarHBondContact OD1-N 3.33Å; D1113-L1116 PolarHBondContact O-N 3.21Å; D1113-L1116 PolarHBondContact OD1-N 3.02Å; D1113-A1117 PolarHBondContact N-O 3.39Å; D1113-A1117 WeakPolarHBondContact OD1-CB 3.36Å; D1113-A1117 PolarHBondContact OD1-N 3.09Å
1114E89.1Confident88.8Confident158 Ų15849.3 Ų49.374%0.73825%0.246SC*.THydrogen-bonded Turntrans-60.5-23.5179.1-66.8174.1-173.900113.9P885 L1116P885-E1114 HydrophobicContact CG-CG 4.38Å; E1114-L1116 VanDerWaalsContact C-N 3.33Å
1115K85.4Confident88.6Confident186 Ų18644.3 Ų44.381%0.80922%0.221SC*.THydrogen-bonded Turntrans-92.96.2176.8-62.4-178.3-178.1177.10112.4D1113 A1117D1113-K1115 PolarHBondContact O-N 3.22Å; D1113-K1115 VanDerWaalsContact OD1-C 3.28Å; D1113-K1115 VanDerWaalsContact OD1-CA 3.31Å; D1113-K1115 WeakPolarHBondContact OD1-CA 3.19Å; D1113-K1115 WeakPolarHBondContact OD1-CB 3.19Å; D1113-K1115 PolarHBondContact OD1-N 3.33Å; K1115-A1117 PolarHBondContact O-N 3.33Å
1116L84.9Confident87.5Confident55 Ų5550.3 Ų50.329%0.28824%0.243SC..  trans63.721.5-174.8-48.5177.9000114.1A884 S993 R995 V1112 D1113 E1114A884-L1116 HydrophobicContact CB-CD2 4.19Å; S993-L1116 VanDerWaalsContact CB-CD2 3.43Å; R995-L1116 HydrophobicContact CB-CD1 3.87Å; R995-L1116 HydrophobicContact CG-CD1 3.68Å; V1112-L1116 HydrophobicContact CG1-CD2 4.01Å; D1113-L1116 PolarHBondContact O-N 3.21Å; D1113-L1116 PolarHBondContact OD1-N 3.02Å; E1114-L1116 VanDerWaalsContact C-N 3.33Å
1117A85.5Confident85.7Confident50 Ų5056.3 Ų56.341%0.41327%0.274SS..  trans-74.3128.2168.400000109.3D1113 K1115D1113-A1117 PolarHBondContact N-O 3.39Å; D1113-A1117 WeakPolarHBondContact OD1-CB 3.36Å; D1113-A1117 PolarHBondContact OD1-N 3.09Å; K1115-A1117 PolarHBondContact O-N 3.33Å
1118C89Confident83Confident18 Ų1867.3 Ų67.312%0.12232%0.322CS..EExtended strand (participates in β ladder)trans-95.8133.5-179.8-62.40000111F811 M1110 F1111F811-C1118 WeakPolarHBondContact CD1-O 3.37Å; M1110-C1118 HydrophobicContact CG-CB 4.12Å; M1110-C1118 HydrophobicContact SD-CB 3.84Å; F1111-C1118 CarbonylContact O-C 3.6Å; F1111-C1118 VanDerWaalsContact O-CA 3.29Å; F1111-C1118 WeakPolarHBondContact O-CA 3.09Å
1119R89.1Confident82.6Confident120 Ų12070.7 Ų70.745%0.45334%0.338SS..EExtended strand (participates in β ladder)trans-127.5126.5172.5177.8-179.7175.5169.60.5109.8F1111F1111-R1119 HydrophobicContact CB-CB 4.45Å; F1111-R1119 PolarHBondContact N-O 2.67Å; F1111-R1119 PolarHBondContact O-N 2.54Å
1120M89.4Confident82Confident22 Ų2274.4 Ų74.411%0.10836%0.355CS..EExtended strand (participates in β ladder)trans-89.2148.9171.2-69.8-68.9171.500112F811 Y1082 F1084 V1091 I1093 M1109 M1110F811-M1120 HydrophobicContact CE1-CB 3.82Å; F811-M1120 HydrophobicContact CE1-CE 4.33Å; F811-M1120 HydrophobicContact CE1-CG 3.36Å; F811-M1120 HydrophobicContact CE2-CB 3.99Å; F811-M1120 HydrophobicContact CE2-CG 3.64Å; F811-M1120 HydrophobicContact CZ-CB 3.51Å; F811-M1120 HydrophobicContact CZ-CE 3.81Å; F811-M1120 HydrophobicContact CZ-CG 2.84Å; F811-M1120 HydrophobicContact CZ-SD 4.22Å; Y1082-M1120 HydrophobicContact CD1-CB 3.71Å; Y1082-M1120 HydrophobicContact CD1-CG 3.68Å; Y1082-M1120 HydrophobicContact CD1-SD 4.2Å; Y1082-M1120 HydrophobicContact CD2-CG 4.18Å; Y1082-M1120 HydrophobicContact CE1-CB 3.63Å; Y1082-M1120 HydrophobicContact CE1-CG 3.98Å; Y1082-M1120 HydrophobicContact CG-CB 4.32Å; Y1082-M1120 HydrophobicContact CG-CE 4.46Å; Y1082-M1120 HydrophobicContact CG-CG 3.78Å; Y1082-M1120 HydrophobicContact CG-SD 4.06Å; F1084-M1120 HydrophobicContact CE1-CE 4.48Å; F1084-M1120 HydrophobicContact CZ-CE 4.06Å; V1091-M1120 HydrophobicContact CG2-CE 3.51Å; I1093-M1120 HydrophobicContact CD1-CE 4.45Å; I1093-M1120 HydrophobicContact CG1-CE 4.32Å; I1093-M1120 HydrophobicContact CG1-SD 4.5Å; M1109-M1120 WeakPolarHBondContact O-CA 3.47Å; M1110-M1120 HydrophobicContact CB-CE 3.64Å; M1110-M1120 HydrophobicContact CB-SD 3.47Å; M1110-M1120 WeakPolarHBondContact CB-SD 2.97Å; M1110-M1120 HydrophobicContact CG-CE 3.56Å; M1110-M1120 HydrophobicContact CG-SD 3.9Å; M1110-M1120 HydrophobicContact SD-CE 3.42Å; M1110-M1120 WeakPolarHBondContact SD-CE 3.4Å
1121T86.9Confident81.3Confident24 Ų2478.5 Ų78.515%0.14738%0.375CS..EExtended strand (participates in β ladder)trans-123.8124.5167.5-55.60000108W887 G1108 M1109W887-T1121 WeakPolarHBondContact CH2-OG1 3.45Å; G1108-T1121 WeakPolarHBondContact CA-O 3.13Å; M1109-T1121 HydrophobicContact CE-CG2 4.26Å; M1109-T1121 PolarHBondContact N-O 3.2Å; M1109-T1121 PolarHBondContact O-N 3.43Å
1122Q87.5Confident80.5Confident71 Ų7180.5 Ų80.533%0.33239%0.386SS..EExtended strand (participates in β ladder)trans-90.7139.5173.2-63.7-177.8-47.700109.7D1080 Y1082 G1107D1080-Q1122 VanDerWaalsContact CB-NE2 3.25Å; D1080-Q1122 WeakPolarHBondContact O-CG 3.4Å; D1080-Q1122 PolarHBondContact O-NE2 3.07Å; D1080-Q1122 PolarHBondContact OD1-NE2 2.96Å; Y1082-Q1122 HydrophobicContact CD1-CG 4.25Å; Y1082-Q1122 HydrophobicContact CE1-CG 3.66Å; G1107-Q1122 CarbonylContact O-C 3.5Å; G1107-Q1122 WeakPolarHBondContact O-CA 3.37Å
1123L85.1Confident79.6Confident3 Ų385.6 Ų85.62%0.01641%0.41CS..EExtended strand (participates in β ladder)trans-115103175.1-172.172.7000107.8D898 R901 L902 P1097 G1107D898-L1123 HydrophobicContact CB-CD2 4.42Å; R901-L1123 HydrophobicContact CB-CD1 4.02Å; R901-L1123 HydrophobicContact CB-CD2 3.85Å; L902-L1123 HydrophobicContact CD2-CD2 4.18Å; P1097-L1123 HydrophobicContact CG-CD2 4.04Å; G1107-L1123 PolarHBondContact N-O 2.76Å; G1107-L1123 PolarHBondContact O-N 2.79Å
1124N83.7Confident78.9Confident82 Ų8288.1 Ų88.144%0.43942%0.421SS..PPolyproline II helixtrans-65.5148.3179.1-65.7-26.3000110.9R901 S1106R901-N1124 PolarHBondContact NH1-O 3.02Å; R901-N1124 VanDerWaalsContact NH1-O 3.13Å; R901-N1124 PolarHBondContact NH2-O 3.26Å; S1106-N1124 PolarHBondContact OG-OD1 3.36Å
1125P76.6Confident78.1Confident29 Ų2983.1 Ų83.119%0.18840%0.398CS..PPolyproline II helixtrans-57.1142.716927.1-34.9000110.3P1097 N1098 N1127P1097-P1125 HydrophobicContact CB-CB 4.47Å; N1098-P1125 HydrophobicContact CB-CB 3.81Å; P1125-N1127 PolarHBondContact O-N 2.79Å
1126R66.3Low77.6Confident132 Ų13275.2 Ų75.250%0.49837%0.366SS..PPolyproline II helixtrans-64134.4170.3-75.4-177.6174.3173.60.2107.2K1128R1126-K1128 PolarHBondContact O-N 3.46Å
1127N50Low77Confident141 Ų14176.9 Ų76.975%0.75437%0.373SS*.PPolyproline II helixtrans-48.8134.8177.8-86.7-9.6000109.5P1125P1125-N1127 PolarHBondContact O-N 2.79Å
1128K34.9Very low76.2Confident231 Ų23179.4 Ų79.4100%1.00437%0.369SS*.  trans-42.70-167.6-72.7-173.7179.1-171.90114.7R1126R1126-K1128 PolarHBondContact O-N 3.46Å

Retrieved 1,128 of 1,128 residues in 611.3 ms (Link to these results)

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