A0A096N8C2_PAPAN Loading...

Serine and arginine rich splicing factor 11

AlphaFold DB (A0A2K6MTC2), UniProt , Accession A0A096N8C2, Species PAPAN (Papio anubis, Olive baboon), Gene SRSF11, Length 483 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
1M38.1Very low40.4Very low241 Ų241134.3 Ų134.3100%1.18783%0.826SS**  0129.40-62.8166.2178.200107.4
2S39.8Very low40.3Very low112 Ų112128.5 Ų128.578%0.78381%0.813SS**  cis-153.1149.6-15.2-74.90000109.9
3N34.7Very low40.8Very low151 Ų151128.8 Ų128.881%0.80782%0.817SS**  trans-50.8133.1179.8-77.39.3000113.6
4T40.8Very low40.5Very low113 Ų113123.9 Ų123.969%0.69380%0.802SS**  76.6130.992.8-50.30000114.8
5T39.9Very low41.2Very low126 Ų126124.5 Ų124.577%0.77381%0.806SS**  -167.8140.4128.9-77.50000110.1
6V44.2Very low41.2Very low128 Ų128123.9 Ų123.978%0.77681%0.806SS**  trans-91.1139.5174.81750000109.4
7V43.3Very low41Very low128 Ų128121.1 Ų121.178%0.77681%0.805SS**  trans-125129.1166.4-73.20000110
8P43.1Very low40.7Very low118 Ų118117.7 Ų117.777%0.76680%0.795SS**PPolyproline II helixtrans-85.4158.9-176.734.4-35.6000112.6
9S37.9Very low40.9Very low122 Ų122118.7 Ų118.785%0.85380%0.8SS**PPolyproline II helixtrans-56.5135.8173.7-52.10000112.2
10T41.4Very low40.6Very low140 Ų140116.3 Ų116.386%0.85980%0.796SS**PPolyproline II helixtrans-69129.7174.441.40000111
11A41.6Very low40.7Very low98 Ų98114.7 Ų114.781%0.8180%0.798SS**PPolyproline II helixtrans-69.1134.5171.500000110
12G38.2Very low40.6Very low65 Ų65106.9 Ų106.967%0.6778%0.779SS**PPolyproline II helixtrans-68144.6175.100000111.7G14G12-G14 PolarHBondContact O-N 3.01Å
13P47.1Very low40.3Very low133 Ų133104.8 Ų104.886%0.86478%0.776SS**PPolyproline II helixtrans-64.3120.6171.427.5-32.9000109.3
14G37.3Very low40.5Very low59 Ų59101.9 Ų101.961%0.60878%0.782SS**PPolyproline II helixtrans-62153.6173.900000111.6G12 S16G12-G14 PolarHBondContact O-N 3.01Å; G14-S16 PolarHBondContact O-N 3.13Å
15P50.4Low40.2Very low133 Ų13399.9 Ų99.986%0.86478%0.783SS**PPolyproline II helixtrans-57.1136179.424.5-33.8000110.6G17P15-G17 PolarHBondContact O-N 3.29Å
16S41.4Very low40.4Very low115 Ų11598 Ų9880%0.80479%0.789SS**PPolyproline II helixtrans-54.6132.1-17639.30000111.7G14 G18G14-S16 PolarHBondContact O-N 3.13Å; S16-G18 PolarHBondContact O-N 3.22Å; S16-G18 VanDerWaalsContact O-N 3.16Å
17G37.2Very low40Very low77 Ų7795 Ų9579%0.79478%0.784SS**PPolyproline II helixtrans-58.5120.6169.700000109.4P15P15-G17 PolarHBondContact O-N 3.29Å
18G35.4Very low40.1Very low60 Ų6093.3 Ų93.362%0.61979%0.792SS**PPolyproline II helixtrans-59.8155.5173.500000111S16 G20S16-G18 PolarHBondContact O-N 3.22Å; S16-G18 VanDerWaalsContact O-N 3.16Å; G18-G20 PolarHBondContact O-N 2.88Å
19P45.7Very low40.4Very low137 Ų13790.7 Ų90.789%0.8979%0.787SS**  trans-6396.917726.8-34000109.5G21P19-G21 PolarHBondContact O-N 3.23Å
20G34.6Very low41.7Very low70 Ų7086.9 Ų86.972%0.72277%0.767SS**  trans-59.7129179.300000109.8G18 G22G18-G20 PolarHBondContact O-N 2.88Å; G20-G22 VanDerWaalsContact C-N 3.34Å; G20-G22 PolarHBondContact O-N 2.83Å
21G42.9Very low43.6Very low82 Ų8282 Ų8285%0.84574%0.737SS**  trans-62.593.8176.500000110.5P19 G23P19-G21 PolarHBondContact O-N 3.23Å; G21-G23 PolarHBondContact O-N 2.77Å
22G34.8Very low45.8Very low77 Ų7780.9 Ų80.979%0.79472%0.715SS**  trans-61.1100.2174.600000109.5G20G20-G22 VanDerWaalsContact C-N 3.34Å; G20-G22 PolarHBondContact O-N 2.83Å
23G33.9Very low48.3Very low68 Ų6877.8 Ų77.870%0.70168%0.683SS**  trans-58.1151.3177.300000111G21 G25G21-G23 PolarHBondContact O-N 2.77Å; G23-G25 VanDerWaalsContact C-N 3.25Å; G23-G25 PolarHBondContact O-N 3.01Å
24G40Very low50.4Low91 Ų9171.5 Ų71.594%0.93864%0.642SS**  trans-63.779.1-178.300000113.3G26G24-G26 PolarHBondContact O-N 3Å
25G33.7Very low53Low70 Ų7069.7 Ų69.772%0.72262%0.618SS**  trans-73.4116.6170.900000109.7G23 G27G23-G25 VanDerWaalsContact C-N 3.25Å; G23-G25 PolarHBondContact O-N 3.01Å; G25-G27 PolarHBondContact O-N 2.8Å
26G44.8Very low55Low87 Ų8763.3 Ų63.390%0.89758%0.577SS**  trans-69.372.2168.900000111.3G24G24-G26 PolarHBondContact O-N 3Å
27G36.1Very low57.3Low65 Ų6559.1 Ų59.167%0.6755%0.546SS*.  trans-72.4123.5170.600000109.9G25 G29G25-G27 PolarHBondContact O-N 2.8Å; G27-G29 PolarHBondContact O-N 3.18Å
28G45.5Very low59.9Low92 Ų9258 Ų5895%0.94852%0.522SS*.  trans-7447.1-175.200000115.4
29G49.3Very low62.6Low63 Ų6355.2 Ų55.265%0.64949%0.493SS*.  trans-84112.3157.800000108.2G27 T31G27-G29 PolarHBondContact O-N 3.18Å; G29-T31 PolarHBondContact O-N 3.48Å
30G64.9Low64.6Low43 Ų4348.7 Ų48.744%0.44345%0.451SS..  trans-65.8124.7-178.700000111.3E32G30-E32 PolarHBondContact O-N 2.87Å
31T81.5Confident67.1Low38 Ų3847.4 Ų47.423%0.23343%0.43CS..  trans-77.5112.4178.555.50000110.2G29 V33 A88 P108G29-T31 PolarHBondContact O-N 3.48Å; T31-V33 PolarHBondContact O-N 3.46Å; T31-A88 WeakPolarHBondContact O-CB 3.49Å; T31-P108 HydrophobicContact CG2-CB 4.36Å; T31-P108 WeakPolarHBondContact OG1-CB 3.42Å
32E87.9Confident69.2Low74 Ų7447.9 Ų47.935%0.34642%0.42SS..SBendtrans-58.2-26.2175.1-68.9165.7-161.900113.4G30 K81 F82 P85G30-E32 PolarHBondContact O-N 2.87Å; E32-K81 HydrophobicContact CB-CG 4.41Å; E32-K81 WeakPolarHBondContact OE2-CE 3.46Å; E32-K81 IonicContact OE2-NZ 2.9Å; E32-K81 PolarHBondContact OE2-NZ 2.88Å; E32-F82 PolarHBondContact O-N 2.82Å; E32-P85 HydrophobicContact CG-CB 4.36Å
33V90.3Very high71.8Confident0 Ų044.2 Ų44.20%038%0.382CS..EExtended strand (participates in β ladder)trans-99.5132.8-178.9-173.60000111.3T31 V80 K81 Y109 G112 I114T31-V33 PolarHBondContact O-N 3.46Å; V33-V80 WeakPolarHBondContact CA-O 2.74Å; V33-K81 HydrophobicContact CG2-CB 4.04Å; V33-K81 HydrophobicContact CG2-CD 4.43Å; V33-K81 HydrophobicContact CG2-CG 4.11Å; V33-Y109 HydrophobicContact CG1-CD1 4.2Å; V33-Y109 PolarHBondContact O-N 3.06Å; V33-G112 VanDerWaalsContact CG2-O 3.28Å; V33-G112 WeakPolarHBondContact CG2-O 3.45Å; V33-I114 HydrophobicContact CG1-CG1 4.31Å
34I91.7Very high74.4Confident1 Ų142.4 Ų42.41%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-112.5148.1167.660.4163.3000111.6V36 F52 F79 V80 F82 A88 A91 V106I34-V36 HydrophobicContact CD1-CG2 3.75Å; I34-V36 HydrophobicContact CG1-CG2 4.28Å; I34-F52 HydrophobicContact CD1-CD1 3.93Å; I34-F52 HydrophobicContact CD1-CE1 3.63Å; I34-F52 HydrophobicContact CD1-CZ 4.07Å; I34-F79 WeakPolarHBondContact O-CA 3.32Å; I34-V80 HydrophobicContact CD1-CB 4.11Å; I34-V80 HydrophobicContact CD1-CG2 4.2Å; I34-V80 HydrophobicContact CG1-CB 3.73Å; I34-V80 HydrophobicContact CG1-CG2 4.17Å; I34-V80 PolarHBondContact N-O 2.87Å; I34-V80 PolarHBondContact O-N 3.3Å; I34-F82 HydrophobicContact CD1-CE2 3.7Å; I34-F82 HydrophobicContact CD1-CZ 4.28Å; I34-F82 HydrophobicContact CG1-CE2 3.9Å; I34-F82 HydrophobicContact CG2-CE2 4.41Å; I34-A88 HydrophobicContact CG2-CB 3.77Å; I34-A91 HydrophobicContact CD1-CB 3.78Å; I34-V106 HydrophobicContact CB-CG1 4Å; I34-V106 HydrophobicContact CD1-CG1 3.77Å; I34-V106 HydrophobicContact CG1-CG1 4.47Å; I34-V106 HydrophobicContact CG2-CG1 4.19Å
35Q91.4Very high76.7Confident20 Ų2039.6 Ų39.69%0.09333%0.325CS..EExtended strand (participates in β ladder)trans-104.2127.1166.5-179.9-174.9-12.200109.1T37 V77 F79 V106 V107 Y109Q35-T37 HydrophobicContact CG-CG2 3.93Å; Q35-T37 VanDerWaalsContact NE2-CG2 3.26Å; Q35-V77 HydrophobicContact CG-CG1 4.08Å; Q35-F79 HydrophobicContact CB-CD1 4.01Å; Q35-F79 HydrophobicContact CB-CE1 3.67Å; Q35-F79 HydrophobicContact CB-CZ 4.4Å; Q35-F79 HydrophobicContact CG-CD1 4.23Å; Q35-F79 HydrophobicContact CG-CE1 3.58Å; Q35-F79 HydrophobicContact CG-CZ 3.8Å; Q35-V106 WeakPolarHBondContact O-CA 3.33Å; Q35-V107 PolarHBondContact N-O 3.09Å; Q35-V107 PolarHBondContact O-N 2.78Å; Q35-Y109 HydrophobicContact CB-CD2 4.46Å
36V92.1Very high79.4Confident0 Ų043.2 Ų43.20%032%0.323CS..EExtended strand (participates in β ladder)trans-115.6110.1178.5-169.50000108.5I34 V39 M48 F52 V77 C78 V80 L104 I105 V106I34-V36 HydrophobicContact CD1-CG2 3.75Å; I34-V36 HydrophobicContact CG1-CG2 4.28Å; V36-V39 HydrophobicContact CB-CG2 4.36Å; V36-V39 HydrophobicContact CG1-CG2 3.9Å; V36-M48 HydrophobicContact CB-CE 4.35Å; V36-M48 HydrophobicContact CG1-CE 3.99Å; V36-F52 HydrophobicContact CB-CZ 4.46Å; V36-F52 HydrophobicContact CG1-CE2 4.44Å; V36-F52 HydrophobicContact CG1-CZ 4.15Å; V36-F52 HydrophobicContact CG2-CE1 4.37Å; V36-F52 HydrophobicContact CG2-CE2 3.8Å; V36-F52 HydrophobicContact CG2-CZ 3.51Å; V36-V77 CarbonylContact O-C 3.52Å; V36-V77 WeakPolarHBondContact O-CA 3.47Å; V36-C78 HydrophobicContact CB-CB 4.23Å; V36-C78 PolarHBondContact N-O 3.45Å; V36-C78 PolarHBondContact O-N 3.38Å; V36-V80 HydrophobicContact CG2-CG2 4.41Å; V36-L104 HydrophobicContact CG1-CB 4.22Å; V36-L104 HydrophobicContact CG1-CD1 4.41Å; V36-L104 HydrophobicContact CG1-CD2 4.07Å; V36-L104 HydrophobicContact CG1-CG 4.47Å; V36-I105 CarbonylContact C-O 3.37Å; V36-I105 WeakPolarHBondContact CA-O 3.09Å; V36-V106 HydrophobicContact CG1-CG2 4.24Å; V36-V106 HydrophobicContact CG2-CG1 4.49Å; V36-V106 HydrophobicContact CG2-CG2 4.32Å
37T90.9Very high81.7Confident27 Ų2743 Ų4317%0.16630%0.299CS..EExtended strand (participates in β ladder)trans-104.9169.817969.90000111.8Q35 V39 V77 I105Q35-T37 HydrophobicContact CG-CG2 3.93Å; Q35-T37 VanDerWaalsContact NE2-CG2 3.26Å; T37-V39 PolarHBondContact O-N 2.97Å; T37-V77 HydrophobicContact CG2-CG1 4.28Å; T37-V77 HydrophobicContact CG2-CG2 4.02Å; T37-I105 PolarHBondContact N-O 2.68Å; T37-I105 PolarHBondContact O-N 2.91Å; T37-I105 VanDerWaalsContact O-N 3.14Å; T37-I105 WeakPolarHBondContact OG1-CB 3.38Å
38N90.8Very high84.3Confident54 Ų5439.9 Ų39.929%0.28927%0.267SS..EExtended strand (participates in β ladder)trans59.628.4-175.1-165.844.6000114.5A103 I105N38-A103 PolarHBondContact ND2-O 2.85Å; N38-I105 HydrophobicContact CB-CD1 4.17Å; N38-I105 HydrophobicContact CB-CG1 4.42Å
39V91.1Very high86.5Confident0 Ų041 Ų410%024%0.242CC..EExtended strand (participates in β ladder)trans-65.4142.6174.9-176.10000109.2V36 T37 A43 M48 L63 R76 C78 L104V36-V39 HydrophobicContact CB-CG2 4.36Å; V36-V39 HydrophobicContact CG1-CG2 3.9Å; T37-V39 PolarHBondContact O-N 2.97Å; V39-A43 HydrophobicContact CG1-CB 3.99Å; V39-M48 HydrophobicContact CB-CE 4.37Å; V39-M48 HydrophobicContact CG1-CE 3.82Å; V39-M48 HydrophobicContact CG1-CG 4.46Å; V39-M48 HydrophobicContact CG1-SD 3.82Å; V39-M48 HydrophobicContact CG2-CE 3.55Å; V39-L63 HydrophobicContact CG1-CD1 4.41Å; V39-R76 HydrophobicContact CB-CB 3.98Å; V39-R76 WeakPolarHBondContact CB-O 3.13Å; V39-R76 HydrophobicContact CG1-CB 4.31Å; V39-R76 PolarHBondContact N-O 2.54Å; V39-R76 PolarHBondContact O-N 2.87Å; V39-C78 HydrophobicContact CG2-CB 4.23Å; V39-L104 HydrophobicContact CG2-CD2 4.14Å
40S89.4Confident88.6Confident1 Ų141.8 Ų41.81%0.00724%0.235CC..  trans-59.5138.5177.2178.90000111.7S42 A43 D101S40-S42 PolarHBondContact O-N 3.28Å; S40-S42 VanDerWaalsContact O-N 3.16Å; S40-S42 PolarHBondContact OG-N 2.8Å; S40-S42 VanDerWaalsContact OG-N 3.09Å; S40-A43 PolarHBondContact O-N 2.99Å; S40-A43 VanDerWaalsContact O-N 3.14Å; S40-D101 WeakPolarHBondContact CB-OD1 3.35Å; S40-D101 PolarHBondContact OG-OD1 3.39Å
41P86.6Confident89.9Confident42 Ų4241 Ų4127%0.27322%0.22SC..THydrogen-bonded Turntrans-67.4-7.4170.231.2-36.5000113.1R102P41-R102 VanDerWaalsContact CD-NH2 3.33Å
42S86.9Confident90.4Very high92 Ų9239.1 Ų39.164%0.64321%0.209SC*.THydrogen-bonded Turntrans-1072.8173.4-56.70000113.8S40S40-S42 PolarHBondContact O-N 3.28Å; S40-S42 VanDerWaalsContact O-N 3.16Å; S40-S42 PolarHBondContact OG-N 2.8Å; S40-S42 VanDerWaalsContact OG-N 3.09Å
43A88.7Confident90.6Very high0 Ų037.7 Ų37.70%021%0.213CC..  trans-86.8129.7171.600000110.3V39 S40 R76 F99 V100V39-A43 HydrophobicContact CG1-CB 3.99Å; S40-A43 PolarHBondContact O-N 2.99Å; S40-A43 VanDerWaalsContact O-N 3.14Å; A43-R76 PolarHBondContact O-NH1 3.24Å; A43-F99 HydrophobicContact CB-CD1 4.1Å; A43-F99 HydrophobicContact CB-CE1 4.02Å; A43-V100 HydrophobicContact CB-CG2 4.06Å
44S89.4Confident90.6Very high30 Ų3045.9 Ų45.921%0.2125%0.249CC..  trans-87.1159.6178.469.90000112.9E46 Q47 M48 D67S44-E46 VanDerWaalsContact C-N 3.3Å; S44-E46 PolarHBondContact O-N 2.66Å; S44-Q47 WeakPolarHBondContact O-CB 3.36Å; S44-Q47 PolarHBondContact O-N 3.07Å; S44-Q47 VanDerWaalsContact O-N 3.17Å; S44-Q47 WeakPolarHBondContact OG-CG 3.28Å; S44-Q47 PolarHBondContact OG-N 2.81Å; S44-M48 WeakPolarHBondContact O-CG 3.44Å; S44-M48 PolarHBondContact O-N 2.89Å; S44-M48 VanDerWaalsContact O-N 3.11Å; S44-D67 WeakPolarHBondContact CA-OD1 3.34Å
45S88.6Confident90.5Very high33 Ų3347.9 Ų47.923%0.23126%0.26CS..Hα-helixtrans-56.3-40.1172.549.40000113M48 R49 D67S45-M48 PolarHBondContact O-N 2.87Å; S45-R49 WeakPolarHBondContact O-CG 3.37Å; S45-R49 PolarHBondContact O-N 3.4Å; S45-D67 VanDerWaalsContact CB-OD2 3.27Å; S45-D67 WeakPolarHBondContact CB-OD2 3.48Å; S45-D67 PolarHBondContact N-OD2 2.94Å; S45-D67 PolarHBondContact OG-OD2 3.14Å
46E90.3Very high90.5Very high145 Ų14547.7 Ų47.768%0.67826%0.264SS*.Hα-helixtrans-61.9-41173.9-63.8-175.1150.200113.3S44 M48 R49 T50S44-E46 VanDerWaalsContact C-N 3.3Å; S44-E46 PolarHBondContact O-N 2.66Å; E46-M48 VanDerWaalsContact C-N 3.31Å; E46-M48 PolarHBondContact O-N 3.37Å; E46-R49 PolarHBondContact O-N 3.4Å; E46-T50 WeakPolarHBondContact O-CB 3.27Å; E46-T50 PolarHBondContact O-N 3.16Å; E46-T50 PolarHBondContact O-OG1 2.78Å
47Q91.8Very high90.5Very high83 Ų8354.4 Ų54.439%0.38829%0.293SS..Hα-helixtrans-63.3-39.4177-78.81757.100111.3S44 T50 L51 F99S44-Q47 WeakPolarHBondContact O-CB 3.36Å; S44-Q47 PolarHBondContact O-N 3.07Å; S44-Q47 VanDerWaalsContact O-N 3.17Å; S44-Q47 WeakPolarHBondContact OG-CG 3.28Å; S44-Q47 PolarHBondContact OG-N 2.81Å; Q47-T50 PolarHBondContact O-N 2.88Å; Q47-L51 WeakPolarHBondContact O-CB 3.31Å; Q47-L51 PolarHBondContact O-N 3.5Å; Q47-F99 HydrophobicContact CB-CE1 3.99Å; Q47-F99 HydrophobicContact CB-CZ 3.88Å
48M91.9Very high90.6Very high0 Ų055 Ų550%030%0.295CS..Hα-helixtrans-67.8-44.2174.7-62.4-66.9-78.600111.6V36 V39 S44 S45 E46 T50 L51 F52 L61 C78 F99V36-M48 HydrophobicContact CB-CE 4.35Å; V36-M48 HydrophobicContact CG1-CE 3.99Å; V39-M48 HydrophobicContact CB-CE 4.37Å; V39-M48 HydrophobicContact CG1-CE 3.82Å; V39-M48 HydrophobicContact CG1-CG 4.46Å; V39-M48 HydrophobicContact CG1-SD 3.82Å; V39-M48 HydrophobicContact CG2-CE 3.55Å; S44-M48 WeakPolarHBondContact O-CG 3.44Å; S44-M48 PolarHBondContact O-N 2.89Å; S44-M48 VanDerWaalsContact O-N 3.11Å; S45-M48 PolarHBondContact O-N 2.87Å; E46-M48 VanDerWaalsContact C-N 3.31Å; E46-M48 PolarHBondContact O-N 3.37Å; M48-T50 VanDerWaalsContact C-N 3.28Å; M48-T50 PolarHBondContact O-N 2.88Å; M48-L51 PolarHBondContact O-N 3.25Å; M48-F52 HydrophobicContact CE-CE2 3.86Å; M48-F52 WeakPolarHBondContact O-CD2 3.34Å; M48-F52 PolarHBondContact O-N 3.4Å; M48-L61 HydrophobicContact CB-CD1 3.99Å; M48-C78 HydrophobicContact CE-CB 3.58Å; M48-F99 HydrophobicContact SD-CD1 4.04Å; M48-F99 HydrophobicContact SD-CE1 3.97Å
49R91.9Very high90.6Very high114 Ų11456.6 Ų56.643%0.4330%0.303SS..Hα-helixtrans-56.6-41.9172.5-72177.7-171.4-81.4-3.2111.7S45 E46 G53 I58 L61S45-R49 WeakPolarHBondContact O-CG 3.37Å; S45-R49 PolarHBondContact O-N 3.4Å; E46-R49 PolarHBondContact O-N 3.4Å; R49-G53 WeakPolarHBondContact O-CA 3.26Å; R49-G53 PolarHBondContact O-N 2.78Å; R49-I58 WeakPolarHBondContact O-CD1 3.07Å; R49-L61 HydrophobicContact CB-CD1 4.43Å; R49-L61 HydrophobicContact CG-CB 4.11Å; R49-L61 HydrophobicContact CG-CD1 3.77Å; R49-L61 HydrophobicContact CG-CD2 4.04Å; R49-L61 HydrophobicContact CG-CG 4.2Å; R49-L61 PolarHBondContact NH2-O 3.09Å
50T92.2Very high90.6Very high81 Ų8160 Ų6050%0.49732%0.319SS..Hα-helixtrans-67-46.5178.8-52.90000111.4E46 Q47 M48 G53 F54E46-T50 WeakPolarHBondContact O-CB 3.27Å; E46-T50 PolarHBondContact O-N 3.16Å; E46-T50 PolarHBondContact O-OG1 2.78Å; Q47-T50 PolarHBondContact O-N 2.88Å; M48-T50 VanDerWaalsContact C-N 3.28Å; M48-T50 PolarHBondContact O-N 2.88Å; T50-G53 PolarHBondContact O-N 2.73Å; T50-F54 HydrophobicContact CG2-CE2 3.83Å; T50-F54 HydrophobicContact CG2-CZ 4.01Å; T50-F54 WeakPolarHBondContact O-CD2 3.42Å; T50-F54 WeakPolarHBondContact O-CE2 3.39Å; T50-F54 PolarHBondContact O-N 2.91Å
51L92.1Very high90.7Very high25 Ų2560.2 Ų60.213%0.13132%0.32CS..Hα-helixtrans-61.6-47.1-179.8174.8142.9000112.4Q47 M48 L94 F99 L104Q47-L51 WeakPolarHBondContact O-CB 3.31Å; Q47-L51 PolarHBondContact O-N 3.5Å; M48-L51 PolarHBondContact O-N 3.25Å; L51-L94 HydrophobicContact CD2-CD1 3.76Å; L51-L94 HydrophobicContact CG-CD1 4.49Å; L51-F99 HydrophobicContact CB-CE2 4.3Å; L51-F99 HydrophobicContact CB-CZ 4.37Å; L51-F99 HydrophobicContact CD1-CD2 3.29Å; L51-F99 HydrophobicContact CD1-CE2 3.42Å; L51-F99 VanDerWaalsContact CD1-CE2 3.42Å; L51-F99 HydrophobicContact CD1-CG 3.89Å; L51-F99 HydrophobicContact CD1-CZ 4.1Å; L51-F99 HydrophobicContact CG-CE2 4.49Å; L51-L104 HydrophobicContact CD1-CD1 4.31Å; L51-L104 HydrophobicContact CD2-CD1 4.28Å
52F92.6Very high90.7Very high0 Ų062.7 Ų62.70%032%0.324CS..Hα-helixtrans-78.9-24.1178.6-69.9-69000112.7I34 V36 M48 F54 L55 G56 I58 V80 F82 A91 L94 V106I34-F52 HydrophobicContact CD1-CD1 3.93Å; I34-F52 HydrophobicContact CD1-CE1 3.63Å; I34-F52 HydrophobicContact CD1-CZ 4.07Å; V36-F52 HydrophobicContact CB-CZ 4.46Å; V36-F52 HydrophobicContact CG1-CE2 4.44Å; V36-F52 HydrophobicContact CG1-CZ 4.15Å; V36-F52 HydrophobicContact CG2-CE1 4.37Å; V36-F52 HydrophobicContact CG2-CE2 3.8Å; V36-F52 HydrophobicContact CG2-CZ 3.51Å; M48-F52 HydrophobicContact CE-CE2 3.86Å; M48-F52 WeakPolarHBondContact O-CD2 3.34Å; M48-F52 PolarHBondContact O-N 3.4Å; F52-F54 PolarHBondContact O-N 2.93Å; F52-L55 WeakPolarHBondContact O-CB 3.46Å; F52-L55 PolarHBondContact O-N 2.86Å; F52-G56 PolarHBondContact O-N 3.36Å; F52-I58 HydrophobicContact CB-CD1 3.75Å; F52-I58 HydrophobicContact CB-CG1 4.42Å; F52-V80 HydrophobicContact CB-CG1 4.33Å; F52-V80 HydrophobicContact CD2-CG2 3.88Å; F52-V80 HydrophobicContact CE2-CG2 4.23Å; F52-V80 HydrophobicContact CG-CG2 4.32Å; F52-F82 HydrophobicContact CB-CE1 4.15Å; F52-F82 HydrophobicContact CB-CZ 3.9Å; F52-F82 AromaticContact CD1-CZ 3.91Å; F52-F82 HydrophobicContact CD1-CZ 3.91Å; F52-F82 HydrophobicContact CG-CZ 4.24Å; F52-A91 HydrophobicContact CD1-CB 4.07Å; F52-A91 HydrophobicContact CE1-CB 4.04Å; F52-L94 HydrophobicContact CD1-CD1 4.15Å; F52-L94 HydrophobicContact CE1-CD1 3.8Å; F52-V106 HydrophobicContact CZ-CG2 4.42Å
53G91.9Very high90.8Very high43 Ų4358.8 Ų58.844%0.44330%0.296SS..Hα-helixtrans-65.3-1917400000114.2R49 T50 L55R49-G53 WeakPolarHBondContact O-CA 3.26Å; R49-G53 PolarHBondContact O-N 2.78Å; T50-G53 PolarHBondContact O-N 2.73Å; G53-L55 VanDerWaalsContact C-N 3.28Å
54F90.6Very high90.6Very high172 Ų17259.3 Ų59.375%0.75430%0.298SS*.THydrogen-bonded Turntrans-75.7-12.2169-65.5-56.4000113.9T50 F52T50-F54 HydrophobicContact CG2-CE2 3.83Å; T50-F54 HydrophobicContact CG2-CZ 4.01Å; T50-F54 WeakPolarHBondContact O-CD2 3.42Å; T50-F54 WeakPolarHBondContact O-CE2 3.39Å; T50-F54 PolarHBondContact O-N 2.91Å; F52-F54 PolarHBondContact O-N 2.93Å
55L89.9Confident90.3Very high43 Ų4358.4 Ų58.423%0.22529%0.292CS..THydrogen-bonded Turntrans-105-23.7-178.8-8268.1000113.2F52 G53 S87 V90 A91 L94F52-L55 WeakPolarHBondContact O-CB 3.46Å; F52-L55 PolarHBondContact O-N 2.86Å; G53-L55 VanDerWaalsContact C-N 3.28Å; L55-S87 PolarHBondContact O-OG 3.31Å; L55-V90 HydrophobicContact CD2-CB 4.5Å; L55-V90 HydrophobicContact CD2-CG1 3.9Å; L55-V90 HydrophobicContact CG-CG1 4.03Å; L55-A91 VanDerWaalsContact CD2-CA 3.43Å; L55-A91 HydrophobicContact CD2-CB 3.81Å; L55-L94 HydrophobicContact CD1-CD1 4Å; L55-L94 HydrophobicContact CD2-CD1 3.58Å; L55-L94 HydrophobicContact CD2-CD2 4.49Å; L55-L94 HydrophobicContact CD2-CG 3.88Å; L55-L94 HydrophobicContact CG-CD1 4.48Å
56G90Very high89.7Confident17 Ų1759.9 Ų59.918%0.17530%0.301CS..SBendtrans180171.7-177.500000113F52 I58 S87F52-G56 PolarHBondContact O-N 3.36Å; G56-I58 PolarHBondContact O-N 3.04Å; G56-S87 VanDerWaalsContact CA-OG 3.27Å; G56-S87 WeakPolarHBondContact CA-OG 3.43Å
57K92.9Very high88.6Confident141 Ų14155.4 Ų55.461%0.61328%0.281SS*.  trans-69.8127.7169.7-65.4170.3-173.4163.80108.9F82 H83K57-F82 WeakPolarHBondContact O-CA 3.46Å; K57-H83 HydrophobicContact CB-CB 3.81Å; K57-H83 HydrophobicContact CD-CB 4.5Å; K57-H83 PolarHBondContact O-N 3.16Å
58I92.9Very high87.2Confident40 Ų4059 Ų5921%0.20530%0.303CS..EExtended strand (participates in β ladder)trans-95.3119.4174-60.5174.1000107.7R49 F52 G56 E60 L61 V80 K81 F82R49-I58 WeakPolarHBondContact O-CD1 3.07Å; F52-I58 HydrophobicContact CB-CD1 3.75Å; F52-I58 HydrophobicContact CB-CG1 4.42Å; G56-I58 PolarHBondContact O-N 3.04Å; I58-E60 VanDerWaalsContact CG2-O 3.31Å; I58-E60 WeakPolarHBondContact CG2-O 3.45Å; I58-L61 HydrophobicContact CD1-CD1 4.46Å; I58-L61 HydrophobicContact CG2-CB 4.04Å; I58-V80 HydrophobicContact CB-CG1 4.44Å; I58-V80 HydrophobicContact CD1-CG1 4Å; I58-V80 HydrophobicContact CG1-CG1 3.91Å; I58-V80 HydrophobicContact CG2-CG1 3.78Å; I58-K81 WeakPolarHBondContact CA-O 3.13Å; I58-F82 HydrophobicContact CG1-CD1 4.33Å; I58-F82 HydrophobicContact CG1-CE1 4.16Å
59D91.4Very high85.9Confident87 Ų8760.4 Ų60.447%0.46531%0.313SS..EExtended strand (participates in β ladder)trans-76.9-47.6171-74-9.3000109.9K81 H83D59-K81 HydrophobicContact CB-CD 4.29Å; D59-K81 HydrophobicContact CB-CG 4.18Å; D59-K81 PolarHBondContact N-O 3.12Å; D59-K81 WeakPolarHBondContact OD2-CE 3.34Å; D59-H83 WeakPolarHBondContact OD1-CB 3.36Å; D59-H83 IonicContact OD1-CG 2.69Å; D59-H83 IonicContact OD1-ND1 2.81Å; D59-H83 PolarHBondContact OD1-ND1 3.13Å; D59-H83 VanDerWaalsContact OD1-ND1 3.09Å; D59-H83 IonicContact OD2-ND1 3.9Å
60E90.1Very high84.3Confident72 Ų7260.9 Ų60.934%0.33633%0.331SS..EExtended strand (participates in β ladder)trans-142.4145.8-179.5-162.9179.6-174.400111.9I58 R62 K81 I114I58-E60 VanDerWaalsContact CG2-O 3.31Å; I58-E60 WeakPolarHBondContact CG2-O 3.45Å; E60-R62 IonicContact OE1-CZ 3.16Å; E60-R62 IonicContact OE1-NE 2.74Å; E60-R62 PolarHBondContact OE1-NE 2.97Å; E60-R62 IonicContact OE1-NH2 2.66Å; E60-R62 PolarHBondContact OE1-NH2 3.42Å; E60-R62 IonicContact OE2-NH2 3.67Å; E60-K81 HydrophobicContact CB-CB 4.27Å; E60-K81 PolarHBondContact N-O 2.69Å; E60-K81 PolarHBondContact O-N 3.29Å; E60-I114 HydrophobicContact CB-CD1 3.87Å; E60-I114 HydrophobicContact CG-CD1 3.78Å
61L90.9Very high83Confident5 Ų562.9 Ų62.93%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-141.7131.9170.1-179152.6000109.5M48 R49 I58 C78 F79 V80M48-L61 HydrophobicContact CB-CD1 3.99Å; R49-L61 HydrophobicContact CB-CD1 4.43Å; R49-L61 HydrophobicContact CG-CB 4.11Å; R49-L61 HydrophobicContact CG-CD1 3.77Å; R49-L61 HydrophobicContact CG-CD2 4.04Å; R49-L61 HydrophobicContact CG-CG 4.2Å; R49-L61 PolarHBondContact NH2-O 3.09Å; I58-L61 HydrophobicContact CD1-CD1 4.46Å; I58-L61 HydrophobicContact CG2-CB 4.04Å; L61-C78 VanDerWaalsContact CG-SG 3.58Å; L61-F79 VanDerWaalsContact CA-O 3.31Å; L61-F79 WeakPolarHBondContact CA-O 3.48Å; L61-V80 HydrophobicContact CB-CG1 4.47Å; L61-V80 HydrophobicContact CD1-CB 4.45Å; L61-V80 HydrophobicContact CD1-CG1 4.14Å; L61-V80 HydrophobicContact CD1-CG2 3.67Å; L61-V80 HydrophobicContact CG-CG2 4.08Å
62R88Confident81.6Confident93 Ų9368.1 Ų68.135%0.35137%0.373SS..EExtended strand (participates in β ladder)trans-124.4144.1171.6-57.9-168.1-168.1170.25.5110.4E60 F64 C78 F79 I114E60-R62 IonicContact OE1-CZ 3.16Å; E60-R62 IonicContact OE1-NE 2.74Å; E60-R62 PolarHBondContact OE1-NE 2.97Å; E60-R62 IonicContact OE1-NH2 2.66Å; E60-R62 PolarHBondContact OE1-NH2 3.42Å; E60-R62 IonicContact OE2-NH2 3.67Å; R62-F64 HydrophobicContact CB-CD2 4.33Å; R62-F64 HydrophobicContact CB-CE2 3.59Å; R62-F64 HydrophobicContact CB-CZ 3.77Å; R62-F64 HydrophobicContact CG-CZ 4.38Å; R62-C78 CarbonylContact O-C 3.58Å; R62-C78 WeakPolarHBondContact O-CA 3.47Å; R62-C78 PolarHBondContact O-SG 3.09Å; R62-F79 PolarHBondContact N-O 3.26Å; R62-F79 PolarHBondContact O-N 3.36Å; R62-I114 HydrophobicContact CB-CG2 4.15Å; R62-I114 HydrophobicContact CG-CD1 4.26Å; R62-I114 HydrophobicContact CG-CG2 4.01Å
63L88.9Confident80.8Confident11 Ų1170.1 Ų70.16%0.05839%0.385CS..EExtended strand (participates in β ladder)trans-119126.4178.2-174.475.8000108.2V39 P65 R76 C78V39-L63 HydrophobicContact CG1-CD1 4.41Å; L63-P65 CarbonylContact O-C 3.49Å; L63-R76 HydrophobicContact CD1-CB 4.25Å; L63-C78 HydrophobicContact CD1-CB 3.85Å
64F85.1Confident80.1Confident11 Ų1172.1 Ų72.15%0.04839%0.392CS..EExtended strand (participates in β ladder)trans-124.6126.2-176.8-64.7-63.7000111.6R62 V77 F79 I114 E117 A120R62-F64 HydrophobicContact CB-CD2 4.33Å; R62-F64 HydrophobicContact CB-CE2 3.59Å; R62-F64 HydrophobicContact CB-CZ 3.77Å; R62-F64 HydrophobicContact CG-CZ 4.38Å; F64-V77 PolarHBondContact N-O 3.38Å; F64-V77 PolarHBondContact O-N 2.88Å; F64-F79 AromaticContact CD2-CD2 3.95Å; F64-F79 HydrophobicContact CD2-CD2 3.95Å; F64-F79 HydrophobicContact CD2-CE2 4.27Å; F64-F79 HydrophobicContact CE2-CD2 4.22Å; F64-I114 HydrophobicContact CE2-CG2 4.43Å; F64-E117 HydrophobicContact CD1-CB 4.44Å; F64-E117 HydrophobicContact CD1-CG 4.3Å; F64-E117 HydrophobicContact CE1-CB 4.22Å; F64-E117 HydrophobicContact CE1-CG 3.68Å; F64-E117 HydrophobicContact CZ-CG 4.34Å; F64-A120 HydrophobicContact CB-CB 3.79Å; F64-A120 HydrophobicContact CD1-CB 4.41Å; F64-A120 HydrophobicContact CD2-CB 3.24Å; F64-A120 HydrophobicContact CE2-CB 3.83Å; F64-A120 HydrophobicContact CG-CB 3.56Å
65P81.2Confident79.7Confident11 Ų1165 Ų657%0.07136%0.364CS..SBendcis-67.1162-9.7-8.227000111L63 S69 V73 L121 L124L63-P65 CarbonylContact O-C 3.49Å; P65-S69 WeakPolarHBondContact CB-OG 3.42Å; P65-V73 HydrophobicContact CG-CB 4.34Å; P65-V73 HydrophobicContact CG-CG1 3.56Å; P65-V73 HydrophobicContact CG-CG2 3.97Å; P65-L121 HydrophobicContact CG-CD2 4.19Å; P65-L124 HydrophobicContact CG-CD2 4.22Å
66P76Confident79.6Confident64 Ų6463.9 Ų63.942%0.41636%0.357SS..  trans-63.9160.4179.725.7-34.2000112.9D68 S69P66-D68 VanDerWaalsContact C-N 3.32Å; P66-D68 PolarHBondContact O-N 3.33Å; P66-S69 WeakPolarHBondContact O-CB 3.32Å; P66-S69 PolarHBondContact O-N 3.47Å; P66-S69 VanDerWaalsContact O-N 3.09Å; P66-S69 PolarHBondContact O-OG 3.31Å
67D68Low79.5Confident51 Ų5163.1 Ų63.127%0.27335%0.349SS..THydrogen-bonded Turntrans-56-41.1-174-83.8-53.9000113.5S44 S45 S69 R76S44-D67 WeakPolarHBondContact CA-OD1 3.34Å; S45-D67 VanDerWaalsContact CB-OD2 3.27Å; S45-D67 WeakPolarHBondContact CB-OD2 3.48Å; S45-D67 PolarHBondContact N-OD2 2.94Å; S45-D67 PolarHBondContact OG-OD2 3.14Å; D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 PolarHBondContact O-N 3.11Å; D67-R76 PolarHBondContact O-NH2 3.17Å; D67-R76 IonicContact OD1-CZ 3.65Å; D67-R76 IonicContact OD1-NH1 2.64Å; D67-R76 PolarHBondContact OD1-NH1 3.29Å; D67-R76 IonicContact OD1-NH2 3.09Å
68D62.3Low79.4Confident159 Ų15956.4 Ų56.485%0.8532%0.319SS*.THydrogen-bonded Turntrans-83.25.3179.9-67.1-73.4000115.3P66P66-D68 VanDerWaalsContact C-N 3.32Å; P66-D68 PolarHBondContact O-N 3.33Å
69S64.8Low79.3Confident28 Ų2854.5 Ų54.520%0.19631%0.31CS..  trans-66.9126.5179.5580000111.5P65 P66 D67 L71P65-S69 WeakPolarHBondContact CB-OG 3.42Å; P66-S69 WeakPolarHBondContact O-CB 3.32Å; P66-S69 PolarHBondContact O-N 3.47Å; P66-S69 VanDerWaalsContact O-N 3.09Å; P66-S69 PolarHBondContact O-OG 3.31Å; D67-S69 VanDerWaalsContact C-N 3.33Å; D67-S69 PolarHBondContact O-N 3.11Å; S69-L71 PolarHBondContact O-N 2.96Å
70P58.8Low79.3Confident125 Ų12550.3 Ų50.381%0.81229%0.287SS*.  trans-76.27.4-178.231.8-36.8000113.5
71L65.4Low79.4Confident123 Ų12349.3 Ų49.364%0.64428%0.282SS*.SBendtrans-92120.3-176.5-64.2178.4000110.2S69 V73S69-L71 PolarHBondContact O-N 2.96Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 3.16Å
72P62.4Low79.5Confident134 Ų13449.1 Ų49.187%0.8728%0.281SS*.  trans-74.483.6-178.630.7-35.4000111.2
73V74.9Confident79.7Confident42 Ų4249.3 Ų49.326%0.25529%0.286SS..  trans-77.1142.7174.4-71.40000112.5P65 L71 S75 R76P65-V73 HydrophobicContact CG-CB 4.34Å; P65-V73 HydrophobicContact CG-CG1 3.56Å; P65-V73 HydrophobicContact CG-CG2 3.97Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 3.16Å; V73-S75 WeakPolarHBondContact CB-O 3.32Å; V73-S75 WeakPolarHBondContact CG2-O 3.25Å; V73-R76 HydrophobicContact CG2-CG 4.12Å
74S77.5Confident79.8Confident85 Ų8551.9 Ų51.959%0.59430%0.299SS*.SBendtrans-73.8-3017855.30000112.9R102S74-R102 PolarHBondContact O-NH1 3.25Å; S74-R102 PolarHBondContact O-NH2 2.76Å
75S83.1Confident80Confident22 Ų2253.6 Ų53.615%0.15431%0.312CS..  trans-143.6169179.5-63.40000109.6V73 R102 L124V73-S75 WeakPolarHBondContact CB-O 3.32Å; V73-S75 WeakPolarHBondContact CG2-O 3.25Å; S75-R102 PolarHBondContact OG-NH1 2.82Å; S75-L124 WeakPolarHBondContact O-CD1 3.43Å
76R86.2Confident80.4Confident20 Ų2059.1 Ų59.18%0.07534%0.34CS..EExtended strand (participates in β ladder)trans-123.8160.1168.9-66.5176.7171179.6-13.6110.9V39 A43 L63 D67 V73V39-R76 HydrophobicContact CB-CB 3.98Å; V39-R76 WeakPolarHBondContact CB-O 3.13Å; V39-R76 HydrophobicContact CG1-CB 4.31Å; V39-R76 PolarHBondContact N-O 2.54Å; V39-R76 PolarHBondContact O-N 2.87Å; A43-R76 PolarHBondContact O-NH1 3.24Å; L63-R76 HydrophobicContact CD1-CB 4.25Å; D67-R76 PolarHBondContact O-NH2 3.17Å; D67-R76 IonicContact OD1-CZ 3.65Å; D67-R76 IonicContact OD1-NH1 2.64Å; D67-R76 PolarHBondContact OD1-NH1 3.29Å; D67-R76 IonicContact OD1-NH2 3.09Å; V73-R76 HydrophobicContact CG2-CG 4.12Å
77V88.9Confident81.1Confident1 Ų156.7 Ų56.71%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-116.7141167.51760000108.1Q35 V36 T37 F64 F79 L124Q35-V77 HydrophobicContact CG-CG1 4.08Å; V36-V77 CarbonylContact O-C 3.52Å; V36-V77 WeakPolarHBondContact O-CA 3.47Å; T37-V77 HydrophobicContact CG2-CG1 4.28Å; T37-V77 HydrophobicContact CG2-CG2 4.02Å; F64-V77 PolarHBondContact N-O 3.38Å; F64-V77 PolarHBondContact O-N 2.88Å; V77-F79 HydrophobicContact CG1-CD2 4.1Å; V77-F79 HydrophobicContact CG1-CE2 3.53Å; V77-F79 HydrophobicContact CG1-CZ 4.01Å; V77-L124 HydrophobicContact CG2-CB 3.75Å; V77-L124 HydrophobicContact CG2-CD1 3.9Å; V77-L124 HydrophobicContact CG2-CG 4.36Å
78C90.4Very high82.1Confident0 Ų054.5 Ų54.50%031%0.314CS..EExtended strand (participates in β ladder)trans-124.3136.9174.6-1730000109.3V36 V39 M48 L61 R62 L63V36-C78 HydrophobicContact CB-CB 4.23Å; V36-C78 PolarHBondContact N-O 3.45Å; V36-C78 PolarHBondContact O-N 3.38Å; V39-C78 HydrophobicContact CG2-CB 4.23Å; M48-C78 HydrophobicContact CE-CB 3.58Å; L61-C78 VanDerWaalsContact CG-SG 3.58Å; R62-C78 CarbonylContact O-C 3.58Å; R62-C78 WeakPolarHBondContact O-CA 3.47Å; R62-C78 PolarHBondContact O-SG 3.09Å; L63-C78 HydrophobicContact CD1-CB 3.85Å
79F91.6Very high83.4Confident0 Ų050.4 Ų50.40%029%0.294CS..EExtended strand (participates in β ladder)trans-110.5133.8169.9-68.7-92000108.4I34 Q35 L61 R62 F64 V77 Y109 I114 P115 A120 L123I34-F79 WeakPolarHBondContact O-CA 3.32Å; Q35-F79 HydrophobicContact CB-CD1 4.01Å; Q35-F79 HydrophobicContact CB-CE1 3.67Å; Q35-F79 HydrophobicContact CB-CZ 4.4Å; Q35-F79 HydrophobicContact CG-CD1 4.23Å; Q35-F79 HydrophobicContact CG-CE1 3.58Å; Q35-F79 HydrophobicContact CG-CZ 3.8Å; L61-F79 VanDerWaalsContact CA-O 3.31Å; L61-F79 WeakPolarHBondContact CA-O 3.48Å; R62-F79 PolarHBondContact N-O 3.26Å; R62-F79 PolarHBondContact O-N 3.36Å; F64-F79 AromaticContact CD2-CD2 3.95Å; F64-F79 HydrophobicContact CD2-CD2 3.95Å; F64-F79 HydrophobicContact CD2-CE2 4.27Å; F64-F79 HydrophobicContact CE2-CD2 4.22Å; V77-F79 HydrophobicContact CG1-CD2 4.1Å; V77-F79 HydrophobicContact CG1-CE2 3.53Å; V77-F79 HydrophobicContact CG1-CZ 4.01Å; F79-Y109 HydrophobicContact CE1-CD1 4.5Å; F79-Y109 HydrophobicContact CE1-CD2 4.17Å; F79-Y109 HydrophobicContact CE1-CE2 4.25Å; F79-Y109 HydrophobicContact CE1-CG 4.31Å; F79-I114 HydrophobicContact CB-CB 4.43Å; F79-I114 HydrophobicContact CB-CD1 4.24Å; F79-I114 HydrophobicContact CB-CG1 4.11Å; F79-I114 HydrophobicContact CB-CG2 3.73Å; F79-I114 HydrophobicContact CG-CG2 4.24Å; F79-P115 HydrophobicContact CD1-CG 3.95Å; F79-P115 HydrophobicContact CD2-CG 4.34Å; F79-P115 HydrophobicContact CE1-CG 3.49Å; F79-P115 VanDerWaalsContact CE1-CG 3.49Å; F79-P115 HydrophobicContact CE2-CG 3.94Å; F79-P115 HydrophobicContact CG-CG 4.35Å; F79-P115 HydrophobicContact CZ-CG 3.49Å; F79-P115 VanDerWaalsContact CZ-CG 3.49Å; F79-A120 HydrophobicContact CD2-CB 4.43Å; F79-A120 HydrophobicContact CE2-CB 3.69Å; F79-L123 HydrophobicContact CZ-CD1 3.94Å
80V91.8Very high84.7Confident0 Ų052.5 Ų52.50%031%0.306CS..EExtended strand (participates in β ladder)trans-129.2122.7-179-165.30000107.9V33 I34 V36 F52 I58 L61 F82V33-V80 WeakPolarHBondContact CA-O 2.74Å; I34-V80 HydrophobicContact CD1-CB 4.11Å; I34-V80 HydrophobicContact CD1-CG2 4.2Å; I34-V80 HydrophobicContact CG1-CB 3.73Å; I34-V80 HydrophobicContact CG1-CG2 4.17Å; I34-V80 PolarHBondContact N-O 2.87Å; I34-V80 PolarHBondContact O-N 3.3Å; V36-V80 HydrophobicContact CG2-CG2 4.41Å; F52-V80 HydrophobicContact CB-CG1 4.33Å; F52-V80 HydrophobicContact CD2-CG2 3.88Å; F52-V80 HydrophobicContact CE2-CG2 4.23Å; F52-V80 HydrophobicContact CG-CG2 4.32Å; I58-V80 HydrophobicContact CB-CG1 4.44Å; I58-V80 HydrophobicContact CD1-CG1 4Å; I58-V80 HydrophobicContact CG1-CG1 3.91Å; I58-V80 HydrophobicContact CG2-CG1 3.78Å; L61-V80 HydrophobicContact CB-CG1 4.47Å; L61-V80 HydrophobicContact CD1-CB 4.45Å; L61-V80 HydrophobicContact CD1-CG1 4.14Å; L61-V80 HydrophobicContact CD1-CG2 3.67Å; L61-V80 HydrophobicContact CG-CG2 4.08Å; V80-F82 HydrophobicContact CG1-CE2 4.38Å; V80-F82 HydrophobicContact CG1-CZ 4.3Å
81K91.9Very high86.2Confident51 Ų5146.6 Ų46.622%0.22227%0.268CS..EExtended strand (participates in β ladder)trans-94.2122.4165.2179.7171.9172.8154.20108.9E32 V33 I58 D59 E60 I114E32-K81 HydrophobicContact CB-CG 4.41Å; E32-K81 WeakPolarHBondContact OE2-CE 3.46Å; E32-K81 IonicContact OE2-NZ 2.9Å; E32-K81 PolarHBondContact OE2-NZ 2.88Å; V33-K81 HydrophobicContact CG2-CB 4.04Å; V33-K81 HydrophobicContact CG2-CD 4.43Å; V33-K81 HydrophobicContact CG2-CG 4.11Å; I58-K81 WeakPolarHBondContact CA-O 3.13Å; D59-K81 HydrophobicContact CB-CD 4.29Å; D59-K81 HydrophobicContact CB-CG 4.18Å; D59-K81 PolarHBondContact N-O 3.12Å; D59-K81 WeakPolarHBondContact OD2-CE 3.34Å; E60-K81 HydrophobicContact CB-CB 4.27Å; E60-K81 PolarHBondContact N-O 2.69Å; E60-K81 PolarHBondContact O-N 3.29Å; K81-I114 HydrophobicContact CB-CD1 4.49Å
82F92.5Very high87.4Confident0 Ų045 Ų450%026%0.257CS..EExtended strand (participates in β ladder)trans-87.8154.3166.1-66.9-78.8000111.2E32 I34 F52 K57 I58 V80 D84 A88 A91E32-F82 PolarHBondContact O-N 2.82Å; I34-F82 HydrophobicContact CD1-CE2 3.7Å; I34-F82 HydrophobicContact CD1-CZ 4.28Å; I34-F82 HydrophobicContact CG1-CE2 3.9Å; I34-F82 HydrophobicContact CG2-CE2 4.41Å; F52-F82 HydrophobicContact CB-CE1 4.15Å; F52-F82 HydrophobicContact CB-CZ 3.9Å; F52-F82 AromaticContact CD1-CZ 3.91Å; F52-F82 HydrophobicContact CD1-CZ 3.91Å; F52-F82 HydrophobicContact CG-CZ 4.24Å; K57-F82 WeakPolarHBondContact O-CA 3.46Å; I58-F82 HydrophobicContact CG1-CD1 4.33Å; I58-F82 HydrophobicContact CG1-CE1 4.16Å; V80-F82 HydrophobicContact CG1-CE2 4.38Å; V80-F82 HydrophobicContact CG1-CZ 4.3Å; F82-D84 WeakPolarHBondContact CB-O 3.43Å; F82-A88 HydrophobicContact CD2-CB 3.92Å; F82-A88 HydrophobicContact CE2-CB 4.46Å; F82-A91 HydrophobicContact CE2-CB 3.77Å; F82-A91 HydrophobicContact CZ-CB 3.89Å
83H92Very high88.8Confident98 Ų9845.5 Ų45.545%0.45425%0.247SC..SBendtrans-68.4-39.1167.6-164.174.6000111.9K57 D59K57-H83 HydrophobicContact CB-CB 3.81Å; K57-H83 HydrophobicContact CD-CB 4.5Å; K57-H83 PolarHBondContact O-N 3.16Å; D59-H83 WeakPolarHBondContact OD1-CB 3.36Å; D59-H83 IonicContact OD1-CG 2.69Å; D59-H83 IonicContact OD1-ND1 2.81Å; D59-H83 PolarHBondContact OD1-ND1 3.13Å; D59-H83 VanDerWaalsContact OD1-ND1 3.09Å; D59-H83 IonicContact OD2-ND1 3.9Å
84D90.5Very high89.5Confident64 Ų6445.2 Ų45.234%0.34224%0.244SC..SBendtrans-110.2123.9-173.2-53.5-73000109.6F82 D86 S87F82-D84 WeakPolarHBondContact CB-O 3.43Å; D84-D86 PolarHBondContact O-N 3.02Å; D84-S87 WeakPolarHBondContact O-CB 3.35Å; D84-S87 PolarHBondContact O-N 2.86Å; D84-S87 VanDerWaalsContact O-N 3.07Å
85P88.9Confident90.2Very high48 Ų4843.3 Ų43.331%0.31223%0.229SC..Hα-helixtrans-65.5-25.4-17825.4-34.1000113.1E32 S87 A88 V89E32-P85 HydrophobicContact CG-CB 4.36Å; P85-S87 VanDerWaalsContact C-N 3.29Å; P85-S87 PolarHBondContact O-N 3.14Å; P85-A88 WeakPolarHBondContact O-CB 3.35Å; P85-A88 PolarHBondContact O-N 3.33Å; P85-V89 PolarHBondContact O-N 2.85Å
86D90.4Very high90.6Very high126 Ų12648 Ų4867%0.67425%0.253SS*.Hα-helixtrans-61.8-35.8172.9-70.3-40.6000112.1D84 A88 V89 V90D84-D86 PolarHBondContact O-N 3.02Å; D86-A88 VanDerWaalsContact C-N 3.28Å; D86-A88 PolarHBondContact O-N 2.91Å; D86-V89 PolarHBondContact O-N 3.45Å; D86-V89 VanDerWaalsContact O-N 3.17Å; D86-V90 WeakPolarHBondContact O-CG2 3.35Å; D86-V90 PolarHBondContact O-N 2.99Å
87S91.2Very high90.9Very high13 Ų1349.8 Ų49.89%0.09127%0.266CS..Hα-helixtrans-65.6-30.8176.7-67.70000112.4L55 G56 D84 P85 A91L55-S87 PolarHBondContact O-OG 3.31Å; G56-S87 VanDerWaalsContact CA-OG 3.27Å; G56-S87 WeakPolarHBondContact CA-OG 3.43Å; D84-S87 WeakPolarHBondContact O-CB 3.35Å; D84-S87 PolarHBondContact O-N 2.86Å; D84-S87 VanDerWaalsContact O-N 3.07Å; P85-S87 VanDerWaalsContact C-N 3.29Å; P85-S87 PolarHBondContact O-N 3.14Å; S87-A91 VanDerWaalsContact O-CB 3.25Å; S87-A91 WeakPolarHBondContact O-CB 3.27Å; S87-A91 PolarHBondContact O-N 3.36Å
88A89Confident91Very high5 Ų554.6 Ų54.64%0.04130%0.295CS..Hα-helixtrans-68.7-38.4172.900000112.3T31 I34 F82 P85 D86 A91 Q92T31-A88 WeakPolarHBondContact O-CB 3.49Å; I34-A88 HydrophobicContact CG2-CB 3.77Å; F82-A88 HydrophobicContact CD2-CB 3.92Å; F82-A88 HydrophobicContact CE2-CB 4.46Å; P85-A88 WeakPolarHBondContact O-CB 3.35Å; P85-A88 PolarHBondContact O-N 3.33Å; D86-A88 VanDerWaalsContact C-N 3.28Å; D86-A88 PolarHBondContact O-N 2.91Å; A88-A91 PolarHBondContact O-N 2.69Å; A88-Q92 PolarHBondContact O-N 2.9Å; A88-Q92 VanDerWaalsContact O-N 3.09Å
89V89.4Confident91Very high73 Ų7356.7 Ų56.744%0.44230%0.304SS..Hα-helixtrans-64.4-46.3173.6-179.40000110.6P85 D86 A91 Q92P85-V89 PolarHBondContact O-N 2.85Å; D86-V89 PolarHBondContact O-N 3.45Å; D86-V89 VanDerWaalsContact O-N 3.17Å; V89-A91 VanDerWaalsContact C-N 3.28Å; V89-A91 PolarHBondContact O-N 2.92Å; V89-Q92 WeakPolarHBondContact O-CB 3.36Å; V89-Q92 PolarHBondContact O-N 3.17Å; V89-Q92 VanDerWaalsContact O-N 3.16Å
90V91Very high90.9Very high73 Ų7360.8 Ų60.844%0.44233%0.329SS..Hα-helixtrans-61.5-37.6174.8177.70000111.1L55 D86 Q92 H93L55-V90 HydrophobicContact CD2-CB 4.5Å; L55-V90 HydrophobicContact CD2-CG1 3.9Å; L55-V90 HydrophobicContact CG-CG1 4.03Å; D86-V90 WeakPolarHBondContact O-CG2 3.35Å; D86-V90 PolarHBondContact O-N 2.99Å; V90-Q92 VanDerWaalsContact C-N 3.29Å; V90-Q92 PolarHBondContact O-N 3.46Å; V90-H93 WeakPolarHBondContact O-CB 3.42Å; V90-H93 PolarHBondContact O-N 2.84Å; V90-H93 VanDerWaalsContact O-N 3.12Å
91A91.3Very high90.9Very high0 Ų065.2 Ų65.20%035%0.352CS..Hα-helixtrans-66.7-27.9177.400000113.3I34 F52 L55 F82 S87 A88 V89 H93 L94I34-A91 HydrophobicContact CD1-CB 3.78Å; F52-A91 HydrophobicContact CD1-CB 4.07Å; F52-A91 HydrophobicContact CE1-CB 4.04Å; L55-A91 VanDerWaalsContact CD2-CA 3.43Å; L55-A91 HydrophobicContact CD2-CB 3.81Å; F82-A91 HydrophobicContact CE2-CB 3.77Å; F82-A91 HydrophobicContact CZ-CB 3.89Å; S87-A91 VanDerWaalsContact O-CB 3.25Å; S87-A91 WeakPolarHBondContact O-CB 3.27Å; S87-A91 PolarHBondContact O-N 3.36Å; A88-A91 PolarHBondContact O-N 2.69Å; V89-A91 VanDerWaalsContact C-N 3.28Å; V89-A91 PolarHBondContact O-N 2.92Å; A91-H93 PolarHBondContact O-N 2.81Å; A91-L94 WeakPolarHBondContact O-CB 3.41Å; A91-L94 PolarHBondContact O-N 3.42Å
92Q90.9Very high90.8Very high90 Ų9065.4 Ų65.442%0.42135%0.352SS..Hα-helixtrans-59.1-32.5172.2-162.7-177.815.900112A88 V89 V90 L94 T95A88-Q92 PolarHBondContact O-N 2.9Å; A88-Q92 VanDerWaalsContact O-N 3.09Å; V89-Q92 WeakPolarHBondContact O-CB 3.36Å; V89-Q92 PolarHBondContact O-N 3.17Å; V89-Q92 VanDerWaalsContact O-N 3.16Å; V90-Q92 VanDerWaalsContact C-N 3.29Å; V90-Q92 PolarHBondContact O-N 3.46Å; Q92-L94 PolarHBondContact O-N 3.07Å; Q92-T95 VanDerWaalsContact O-CB 3.26Å; Q92-T95 WeakPolarHBondContact O-CB 2.98Å; Q92-T95 PolarHBondContact O-N 3.26Å; Q92-T95 VanDerWaalsContact O-N 3.07Å; Q92-T95 PolarHBondContact O-OG1 3.38Å
93H90.8Very high90.8Very high145 Ų14567 Ų6767%0.67137%0.365SS*.THydrogen-bonded Turntrans-67.8-12.9175.6-58.2-35.8000114V90 A91 T95V90-H93 WeakPolarHBondContact O-CB 3.42Å; V90-H93 PolarHBondContact O-N 2.84Å; V90-H93 VanDerWaalsContact O-N 3.12Å; A91-H93 PolarHBondContact O-N 2.81Å; H93-T95 PolarHBondContact O-N 2.91Å
94L91.3Very high90.9Very high36 Ų3662.4 Ų62.419%0.18834%0.344CS..THydrogen-bonded Turntrans-76.9-3.5170.4-58.9-173.3000113.1L51 F52 L55 A91 Q92 N96 T97 V106L51-L94 HydrophobicContact CD2-CD1 3.76Å; L51-L94 HydrophobicContact CG-CD1 4.49Å; F52-L94 HydrophobicContact CD1-CD1 4.15Å; F52-L94 HydrophobicContact CE1-CD1 3.8Å; L55-L94 HydrophobicContact CD1-CD1 4Å; L55-L94 HydrophobicContact CD2-CD1 3.58Å; L55-L94 HydrophobicContact CD2-CD2 4.49Å; L55-L94 HydrophobicContact CD2-CG 3.88Å; L55-L94 HydrophobicContact CG-CD1 4.48Å; A91-L94 WeakPolarHBondContact O-CB 3.41Å; A91-L94 PolarHBondContact O-N 3.42Å; Q92-L94 PolarHBondContact O-N 3.07Å; L94-N96 PolarHBondContact O-N 3.17Å; L94-T97 WeakPolarHBondContact CA-OG1 3.39Å; L94-T97 WeakPolarHBondContact O-CB 3.27Å; L94-T97 PolarHBondContact O-N 3.32Å; L94-T97 PolarHBondContact O-OG1 3.2Å; L94-V106 HydrophobicContact CB-CG2 4.37Å
95T92.1Very high91Very high44 Ų4462.7 Ų62.727%0.2735%0.345SS..THydrogen-bonded Turntrans-57.3131.1171.1-60.90000111.2Q92 H93 T97 V106Q92-T95 VanDerWaalsContact O-CB 3.26Å; Q92-T95 WeakPolarHBondContact O-CB 2.98Å; Q92-T95 PolarHBondContact O-N 3.26Å; Q92-T95 VanDerWaalsContact O-N 3.07Å; Q92-T95 PolarHBondContact O-OG1 3.38Å; H93-T95 PolarHBondContact O-N 2.91Å; T95-T97 VanDerWaalsContact C-N 3.29Å; T95-V106 PolarHBondContact OG1-N 2.71Å; T95-V106 VanDerWaalsContact OG1-N 3.13Å; T95-V106 PolarHBondContact OG1-O 3.31Å
96N91.3Very high91.1Very high122 Ų12260.6 Ų60.665%0.65233%0.331SS*.THydrogen-bonded Turntrans723.1-168.1-48.5-69.5000116.3L94 V98 L104L94-N96 PolarHBondContact O-N 3.17Å; N96-V98 PolarHBondContact O-N 3.25Å; N96-L104 PolarHBondContact N-O 2.81Å
97T91.6Very high91.1Very high57 Ų5757.8 Ų57.835%0.3532%0.318SS..  trans-70.4128.2171.6-59.10000109.9L94 T95 F99 A103 L104L94-T97 WeakPolarHBondContact CA-OG1 3.39Å; L94-T97 WeakPolarHBondContact O-CB 3.27Å; L94-T97 PolarHBondContact O-N 3.32Å; L94-T97 PolarHBondContact O-OG1 3.2Å; T95-T97 VanDerWaalsContact C-N 3.29Å; T97-F99 PolarHBondContact O-N 2.87Å; T97-A103 WeakPolarHBondContact O-CA 3.08Å; T97-L104 PolarHBondContact O-N 3.38Å
98V91.9Very high91Very high102 Ų10259.9 Ų59.962%0.61833%0.332SS*.EExtended strand (participates in β ladder)trans-80.1118.4179.7-179.90000110.3N96 R102N96-V98 PolarHBondContact O-N 3.25Å; V98-R102 CarbonylContact C-O 3.56Å; V98-R102 WeakPolarHBondContact CA-O 3.39Å
99F89.8Confident90.9Very high43 Ų4361.1 Ų61.119%0.18934%0.335CS..EExtended strand (participates in β ladder)trans-116.7128.3173.1-162-117.7000110.5A43 Q47 M48 L51 T97 D101 R102 L104A43-F99 HydrophobicContact CB-CD1 4.1Å; A43-F99 HydrophobicContact CB-CE1 4.02Å; Q47-F99 HydrophobicContact CB-CE1 3.99Å; Q47-F99 HydrophobicContact CB-CZ 3.88Å; M48-F99 HydrophobicContact SD-CD1 4.04Å; M48-F99 HydrophobicContact SD-CE1 3.97Å; L51-F99 HydrophobicContact CB-CE2 4.3Å; L51-F99 HydrophobicContact CB-CZ 4.37Å; L51-F99 HydrophobicContact CD1-CD2 3.29Å; L51-F99 HydrophobicContact CD1-CE2 3.42Å; L51-F99 VanDerWaalsContact CD1-CE2 3.42Å; L51-F99 HydrophobicContact CD1-CG 3.89Å; L51-F99 HydrophobicContact CD1-CZ 4.1Å; L51-F99 HydrophobicContact CG-CE2 4.49Å; T97-F99 PolarHBondContact O-N 2.87Å; F99-D101 PolarHBondContact O-N 3.44Å; F99-R102 PolarHBondContact N-O 3.28Å; F99-R102 PolarHBondContact O-N 2.79Å; F99-L104 HydrophobicContact CB-CD1 3.94Å; F99-L104 HydrophobicContact CB-CD2 4.09Å; F99-L104 HydrophobicContact CB-CG 3.91Å
100V89.9Confident90.2Very high87 Ų8762.2 Ų62.253%0.52735%0.352SS..THydrogen-bonded Turntrans54.9-89.6-169-172.10000112A43A43-V100 HydrophobicContact CB-CG2 4.06Å
101D92.1Very high89.3Confident92 Ų9263.5 Ų63.549%0.49235%0.354SS..THydrogen-bonded Turntrans-118.8-4.1179.362.9-59.4000113.9S40 F99S40-D101 WeakPolarHBondContact CB-OD1 3.35Å; S40-D101 PolarHBondContact OG-OD1 3.39Å; F99-D101 PolarHBondContact O-N 3.44Å
102R89.4Confident88.1Confident55 Ų5565.2 Ų65.221%0.20837%0.371CS..EExtended strand (participates in β ladder)trans-136.6144.4-165.7-52.4-163.6-177.5-176.87.1115.6P41 S74 S75 V98 F99 L104P41-R102 VanDerWaalsContact CD-NH2 3.33Å; S74-R102 PolarHBondContact O-NH1 3.25Å; S74-R102 PolarHBondContact O-NH2 2.76Å; S75-R102 PolarHBondContact OG-NH1 2.82Å; V98-R102 CarbonylContact C-O 3.56Å; V98-R102 WeakPolarHBondContact CA-O 3.39Å; F99-R102 PolarHBondContact N-O 3.28Å; F99-R102 PolarHBondContact O-N 2.79Å; R102-L104 PolarHBondContact O-N 2.85Å
103A92.8Very high87.4Confident35 Ų3565.7 Ų65.729%0.28938%0.38SS..EExtended strand (participates in β ladder)trans-68.2118.9167.300000110.8N38 T97N38-A103 PolarHBondContact ND2-O 2.85Å; T97-A103 WeakPolarHBondContact O-CA 3.08Å
104L93.3Very high86.7Confident0 Ų059.2 Ų59.20%035%0.35CS..  trans-69.4147.2173.1-61.5-179.4000110.9V36 V39 L51 N96 T97 F99 R102V36-L104 HydrophobicContact CG1-CB 4.22Å; V36-L104 HydrophobicContact CG1-CD1 4.41Å; V36-L104 HydrophobicContact CG1-CD2 4.07Å; V36-L104 HydrophobicContact CG1-CG 4.47Å; V39-L104 HydrophobicContact CG2-CD2 4.14Å; L51-L104 HydrophobicContact CD1-CD1 4.31Å; L51-L104 HydrophobicContact CD2-CD1 4.28Å; N96-L104 PolarHBondContact N-O 2.81Å; T97-L104 PolarHBondContact O-N 3.38Å; F99-L104 HydrophobicContact CB-CD1 3.94Å; F99-L104 HydrophobicContact CB-CD2 4.09Å; F99-L104 HydrophobicContact CB-CG 3.91Å; R102-L104 PolarHBondContact O-N 2.85Å
105I92.3Very high85.8Confident70 Ų7057.7 Ų57.736%0.35934%0.342SS..EExtended strand (participates in β ladder)trans-122110.4174.1-59173.2000107.7V36 T37 N38 V107V36-I105 CarbonylContact C-O 3.37Å; V36-I105 WeakPolarHBondContact CA-O 3.09Å; T37-I105 PolarHBondContact N-O 2.68Å; T37-I105 PolarHBondContact O-N 2.91Å; T37-I105 VanDerWaalsContact O-N 3.14Å; T37-I105 WeakPolarHBondContact OG1-CB 3.38Å; N38-I105 HydrophobicContact CB-CD1 4.17Å; N38-I105 HydrophobicContact CB-CG1 4.42Å; I105-V107 HydrophobicContact CG2-CG2 4.31Å
106V92.3Very high85Confident5 Ų561 Ų613%0.0336%0.358CS..EExtended strand (participates in β ladder)trans-106124.8-175.4-172.70000110.2I34 Q35 V36 F52 L94 T95I34-V106 HydrophobicContact CB-CG1 4Å; I34-V106 HydrophobicContact CD1-CG1 3.77Å; I34-V106 HydrophobicContact CG1-CG1 4.47Å; I34-V106 HydrophobicContact CG2-CG1 4.19Å; Q35-V106 WeakPolarHBondContact O-CA 3.33Å; V36-V106 HydrophobicContact CG1-CG2 4.24Å; V36-V106 HydrophobicContact CG2-CG1 4.49Å; V36-V106 HydrophobicContact CG2-CG2 4.32Å; F52-V106 HydrophobicContact CZ-CG2 4.42Å; L94-V106 HydrophobicContact CB-CG2 4.37Å; T95-V106 PolarHBondContact OG1-N 2.71Å; T95-V106 VanDerWaalsContact OG1-N 3.13Å; T95-V106 PolarHBondContact OG1-O 3.31Å
107V90.3Very high83.9Confident66 Ų6660.6 Ų60.640%0.435%0.353SS..EExtended strand (participates in β ladder)trans-127.7130.4-178.2-175.40000109Q35 I105Q35-V107 PolarHBondContact N-O 3.09Å; Q35-V107 PolarHBondContact O-N 2.78Å; I105-V107 HydrophobicContact CG2-CG2 4.31Å
108P89Confident82.7Confident58 Ų5861.8 Ų61.838%0.37737%0.368SS..EExtended strand (participates in β ladder)trans-62.6134.1172.924.7-32.8000111.1T31T31-P108 HydrophobicContact CG2-CB 4.36Å; T31-P108 WeakPolarHBondContact OG1-CB 3.42Å
109Y85.7Confident81.5Confident30 Ų3061.1 Ų61.112%0.11836%0.357CS..  trans-104.6104.2-176.3-163.7-113.2000111.3V33 Q35 F79 E111 G112 V113 P115 L123V33-Y109 HydrophobicContact CG1-CD1 4.2Å; V33-Y109 PolarHBondContact O-N 3.06Å; Q35-Y109 HydrophobicContact CB-CD2 4.46Å; F79-Y109 HydrophobicContact CE1-CD1 4.5Å; F79-Y109 HydrophobicContact CE1-CD2 4.17Å; F79-Y109 HydrophobicContact CE1-CE2 4.25Å; F79-Y109 HydrophobicContact CE1-CG 4.31Å; Y109-E111 HydrophobicContact CD1-CB 3.85Å; Y109-E111 HydrophobicContact CE1-CB 3.34Å; Y109-E111 HydrophobicContact CE1-CG 4.43Å; Y109-E111 PolarHBondContact O-N 3.01Å; Y109-E111 VanDerWaalsContact O-N 3.17Å; Y109-E111 PolarHBondContact OH-OE2 3.22Å; Y109-G112 PolarHBondContact O-N 3Å; Y109-V113 WeakPolarHBondContact CE1-O 3.34Å; Y109-P115 HydrophobicContact CE1-CB 4.18Å; Y109-P115 HydrophobicContact CE1-CG 3.83Å; Y109-L123 HydrophobicContact CE2-CD1 4.34Å
110A76Confident80.5Confident96 Ų9659.1 Ų59.179%0.79335%0.348SS*.THydrogen-bonded Turntrans-69.5-9.8-171.800000115.3G112A110-G112 VanDerWaalsContact C-N 3.25Å; A110-G112 PolarHBondContact O-N 3.35Å
111E71.1Confident79.7Confident101 Ų10159 Ų5947%0.47234%0.344SS..THydrogen-bonded Turntrans-77.1-9.3178.4-136.1175.9-126.400112.8Y109 V113 K119Y109-E111 HydrophobicContact CD1-CB 3.85Å; Y109-E111 HydrophobicContact CE1-CB 3.34Å; Y109-E111 HydrophobicContact CE1-CG 4.43Å; Y109-E111 PolarHBondContact O-N 3.01Å; Y109-E111 VanDerWaalsContact O-N 3.17Å; Y109-E111 PolarHBondContact OH-OE2 3.22Å; E111-V113 PolarHBondContact O-N 3.13Å; E111-K119 IonicContact OE1-NZ 2.7Å; E111-K119 PolarHBondContact OE1-NZ 3.04Å; E111-K119 IonicContact OE2-NZ 2.68Å; E111-K119 PolarHBondContact OE2-NZ 2.87Å
112G66.4Low78.5Confident35 Ų3558.5 Ų58.536%0.36135%0.347SS..SBendtrans68.5-9.6172.900000116.4V33 Y109 A110V33-G112 VanDerWaalsContact CG2-O 3.28Å; V33-G112 WeakPolarHBondContact CG2-O 3.45Å; Y109-G112 PolarHBondContact O-N 3Å; A110-G112 VanDerWaalsContact C-N 3.25Å; A110-G112 PolarHBondContact O-N 3.35Å
113V75.8Confident77.5Confident100 Ų10059.2 Ų59.261%0.60636%0.355SS*.SBendtrans-127.1150.1-179.1-177.20000108.6Y109 E111Y109-V113 WeakPolarHBondContact CE1-O 3.34Å; E111-V113 PolarHBondContact O-N 3.13Å
114I76.9Confident76.1Confident9 Ų958.9 Ų58.95%0.04635%0.348CS..PPolyproline II helixtrans-71.7123.7175.4-63.9-174.7000109.2V33 E60 R62 F64 F79 K81V33-I114 HydrophobicContact CG1-CG1 4.31Å; E60-I114 HydrophobicContact CB-CD1 3.87Å; E60-I114 HydrophobicContact CG-CD1 3.78Å; R62-I114 HydrophobicContact CB-CG2 4.15Å; R62-I114 HydrophobicContact CG-CD1 4.26Å; R62-I114 HydrophobicContact CG-CG2 4.01Å; F64-I114 HydrophobicContact CE2-CG2 4.43Å; F79-I114 HydrophobicContact CB-CB 4.43Å; F79-I114 HydrophobicContact CB-CD1 4.24Å; F79-I114 HydrophobicContact CB-CG1 4.11Å; F79-I114 HydrophobicContact CB-CG2 3.73Å; F79-I114 HydrophobicContact CG-CG2 4.24Å; K81-I114 HydrophobicContact CB-CD1 4.49Å
115P72.7Confident74.2Confident5 Ų561.3 Ų61.33%0.03237%0.369CS..PPolyproline II helixtrans-77.2152.2-174.732.4-36.7000112.7F79 Y109 K119F79-P115 HydrophobicContact CD1-CG 3.95Å; F79-P115 HydrophobicContact CD2-CG 4.34Å; F79-P115 HydrophobicContact CE1-CG 3.49Å; F79-P115 VanDerWaalsContact CE1-CG 3.49Å; F79-P115 HydrophobicContact CE2-CG 3.94Å; F79-P115 HydrophobicContact CG-CG 4.35Å; F79-P115 HydrophobicContact CZ-CG 3.49Å; F79-P115 VanDerWaalsContact CZ-CG 3.49Å; Y109-P115 HydrophobicContact CE1-CB 4.18Å; Y109-P115 HydrophobicContact CE1-CG 3.83Å; P115-K119 HydrophobicContact CB-CB 3.78Å; P115-K119 HydrophobicContact CB-CD 3.67Å; P115-K119 HydrophobicContact CB-CG 4.39Å
116D74.8Confident71.9Confident113 Ų11362.1 Ų62.160%0.60438%0.378SS*.PPolyproline II helixtrans-61.6160.3179-68.6-45.7000113.8A118 K119 A120D116-A118 PolarHBondContact O-N 3.44Å; D116-K119 WeakPolarHBondContact O-CA 3.41Å; D116-K119 WeakPolarHBondContact O-CB 3.2Å; D116-K119 PolarHBondContact O-N 2.89Å; D116-A120 PolarHBondContact O-N 3.46Å
117E69Low69.7Low114 Ų11465.4 Ų65.453%0.53341%0.406SS..Hα-helixtrans-52.3-38.7-171.8-45.1-154.3129.100113.2F64 A120 L121F64-E117 HydrophobicContact CD1-CB 4.44Å; F64-E117 HydrophobicContact CD1-CG 4.3Å; F64-E117 HydrophobicContact CE1-CB 4.22Å; F64-E117 HydrophobicContact CE1-CG 3.68Å; F64-E117 HydrophobicContact CZ-CG 4.34Å; E117-A120 PolarHBondContact O-N 3.19Å; E117-L121 VanDerWaalsContact O-CB 3.27Å; E117-L121 WeakPolarHBondContact O-CB 3.41Å; E117-L121 WeakPolarHBondContact O-CD1 3.43Å; E117-L121 WeakPolarHBondContact O-CG 3.34Å; E117-L121 PolarHBondContact O-N 3.17Å
118A65.7Low67.6Low81 Ų8170 Ų7067%0.66943%0.428SS*.Hα-helixtrans-66.2-37.3178.300000113.6D116 S122D116-A118 PolarHBondContact O-N 3.44Å; A118-S122 PolarHBondContact O-N 3.45Å; A118-S122 PolarHBondContact O-OG 2.88Å
119K66.8Low65.3Low89 Ų8970.8 Ų70.839%0.38744%0.44SS..Hα-helixtrans-71.1-39.8171.7-77.9-172.2-176.8-174.60110.7E111 P115 D116 S122 L123E111-K119 IonicContact OE1-NZ 2.7Å; E111-K119 PolarHBondContact OE1-NZ 3.04Å; E111-K119 IonicContact OE2-NZ 2.68Å; E111-K119 PolarHBondContact OE2-NZ 2.87Å; P115-K119 HydrophobicContact CB-CB 3.78Å; P115-K119 HydrophobicContact CB-CD 3.67Å; P115-K119 HydrophobicContact CB-CG 4.39Å; D116-K119 WeakPolarHBondContact O-CA 3.41Å; D116-K119 WeakPolarHBondContact O-CB 3.2Å; D116-K119 PolarHBondContact O-N 2.89Å; K119-S122 PolarHBondContact O-OG 3.32Å; K119-L123 WeakPolarHBondContact O-CB 3.25Å; K119-L123 WeakPolarHBondContact O-CG 3.3Å; K119-L123 PolarHBondContact O-N 3.35Å
120A69.1Low63.3Low0 Ų073.9 Ų73.90%046%0.462CS..Hα-helixtrans-65.5-39.2177.800000112.8F64 F79 D116 E117 L123 L124F64-A120 HydrophobicContact CB-CB 3.79Å; F64-A120 HydrophobicContact CD1-CB 4.41Å; F64-A120 HydrophobicContact CD2-CB 3.24Å; F64-A120 HydrophobicContact CE2-CB 3.83Å; F64-A120 HydrophobicContact CG-CB 3.56Å; F79-A120 HydrophobicContact CD2-CB 4.43Å; F79-A120 HydrophobicContact CE2-CB 3.69Å; D116-A120 PolarHBondContact O-N 3.46Å; E117-A120 PolarHBondContact O-N 3.19Å; A120-L123 PolarHBondContact O-N 3.41Å; A120-L124 PolarHBondContact O-N 3.24Å; A120-L124 VanDerWaalsContact O-N 3.07Å
121L72.3Confident61.6Low85 Ų8573.8 Ų73.845%0.44546%0.461SS..Hα-helixtrans-72-35.4178.1-74167000112.7P65 E117 L123 L124 A125P65-L121 HydrophobicContact CG-CD2 4.19Å; E117-L121 VanDerWaalsContact O-CB 3.27Å; E117-L121 WeakPolarHBondContact O-CB 3.41Å; E117-L121 WeakPolarHBondContact O-CD1 3.43Å; E117-L121 WeakPolarHBondContact O-CG 3.34Å; E117-L121 PolarHBondContact O-N 3.17Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L124 HydrophobicContact CD2-CD2 4.21Å; L121-L124 WeakPolarHBondContact O-CB 3.4Å; L121-L124 PolarHBondContact O-N 3.48Å; L121-L124 VanDerWaalsContact O-N 3.17Å; L121-A125 PolarHBondContact O-N 3.29Å
122S66.3Low60.2Low81 Ų8172.1 Ų72.157%0.56647%0.471SS*.Hα-helixtrans-67.8-34.1173670000111.9A118 K119 L124 A125A118-S122 PolarHBondContact O-N 3.45Å; A118-S122 PolarHBondContact O-OG 2.88Å; K119-S122 PolarHBondContact O-OG 3.32Å; S122-L124 VanDerWaalsContact C-N 3.28Å; S122-L124 PolarHBondContact O-N 2.89Å; S122-A125 WeakPolarHBondContact O-CB 3.4Å; S122-A125 PolarHBondContact O-N 2.87Å
123L69.1Low59Low70 Ų7078 Ų7837%0.36649%0.493SS..THydrogen-bonded Turntrans-74.8-11.6171.5-69.7169.1000114.3F79 Y109 K119 A120 L121F79-L123 HydrophobicContact CZ-CD1 3.94Å; Y109-L123 HydrophobicContact CE2-CD1 4.34Å; K119-L123 WeakPolarHBondContact O-CB 3.25Å; K119-L123 WeakPolarHBondContact O-CG 3.3Å; K119-L123 PolarHBondContact O-N 3.35Å; A120-L123 PolarHBondContact O-N 3.41Å; L121-L123 VanDerWaalsContact C-N 3.31Å
124L63.7Low57.4Low29 Ų2980 Ų8015%0.15250%0.5CS..THydrogen-bonded Turntrans-86.8-10.5169.7175.557.9000112.6P65 S75 V77 A120 L121 S122P65-L124 HydrophobicContact CG-CD2 4.22Å; S75-L124 WeakPolarHBondContact O-CD1 3.43Å; V77-L124 HydrophobicContact CG2-CB 3.75Å; V77-L124 HydrophobicContact CG2-CD1 3.9Å; V77-L124 HydrophobicContact CG2-CG 4.36Å; A120-L124 PolarHBondContact O-N 3.24Å; A120-L124 VanDerWaalsContact O-N 3.07Å; L121-L124 HydrophobicContact CD2-CD2 4.21Å; L121-L124 WeakPolarHBondContact O-CB 3.4Å; L121-L124 PolarHBondContact O-N 3.48Å; L121-L124 VanDerWaalsContact O-N 3.17Å; S122-L124 VanDerWaalsContact C-N 3.28Å; S122-L124 PolarHBondContact O-N 2.89Å
125A53.8Low55.9Low51 Ų5186.1 Ų86.142%0.42154%0.54SS..SBendtrans-53.613317700000110.7L121 S122 A127L121-A125 PolarHBondContact O-N 3.29Å; S122-A125 WeakPolarHBondContact O-CB 3.4Å; S122-A125 PolarHBondContact O-N 2.87Å; A125-A127 PolarHBondContact O-N 2.87Å
126P43.8Very low54.9Low87 Ų8789.8 Ų89.857%0.56558%0.578SS**  trans-62.4124.2-167.122.8-33.4000111.7N128 A129P126-N128 PolarHBondContact O-N 2.86Å; P126-A129 PolarHBondContact O-N 3.44Å
127A46Very low53.3Low73 Ų7387.3 Ų87.360%0.60358%0.58SS**G310 helixtrans-55.9-14-173.500000115.2A125 A129 V130 A131A125-A127 PolarHBondContact O-N 2.87Å; A127-A129 PolarHBondContact O-N 2.81Å; A127-A129 VanDerWaalsContact O-N 3.17Å; A127-V130 PolarHBondContact O-N 3.36Å; A127-A131 PolarHBondContact O-N 3.38Å
128N44.9Very low52.1Low162 Ų16285.6 Ų85.687%0.86659%0.593SS**G310 helixtrans-54.6-26168.4-67.914.7000113.5P126P126-N128 PolarHBondContact O-N 2.86Å
129A41.9Very low50.7Low76 Ų7689.8 Ų89.863%0.62860%0.603SS**G310 helixtrans-85.7-23.2172.600000113.4P126 A127P126-A129 PolarHBondContact O-N 3.44Å; A127-A129 PolarHBondContact O-N 2.81Å; A127-A129 VanDerWaalsContact O-N 3.17Å
130V43.8Very low49.4Very low95 Ų9593.2 Ų93.258%0.57663%0.625SS**THydrogen-bonded Turntrans-91.6-4.7-169.4-168.60000112.3A127 G132A127-V130 PolarHBondContact O-N 3.36Å; V130-G132 VanDerWaalsContact C-N 3.25Å; V130-G132 PolarHBondContact O-N 3.18Å
131A39.6Very low48.2Very low94 Ų9499.1 Ų99.178%0.77766%0.663SS**THydrogen-bonded Turntrans-75.8-7.9167.700000114.1A127A127-A131 PolarHBondContact O-N 3.38Å
132G41Very low46.9Very low66 Ų66101.1 Ų101.168%0.6868%0.679SS**SBendtrans-117.2-3.3-170.300000117V130V130-G132 VanDerWaalsContact C-N 3.25Å; V130-G132 PolarHBondContact O-N 3.18Å
133L41.8Very low45.5Very low158 Ų158103 Ų10383%0.82769%0.69SS**  trans-116.628.8-172.6-146.573.4000114.2
134L42.2Very low44Very low142 Ų142107.3 Ų107.374%0.74371%0.713SS**  trans-94.5114.8166.4-73.3171.8000109.7G136L134-G136 PolarHBondContact O-N 3.41Å
135P44.8Very low43.1Very low137 Ų137111 Ų11189%0.8974%0.739SS**THydrogen-bonded Turntrans-70.9100.7177.528.6-33.3000110.6
136G53.1Low42.3Very low82 Ų82116.2 Ų116.285%0.84576%0.759SS**THydrogen-bonded Turntrans127.93.8172.300000117.2L134L134-G136 PolarHBondContact O-N 3.41Å
137G41.7Very low41.9Very low61 Ų61117.6 Ų117.663%0.62977%0.766SS**  trans-85.9110.5176.500000113.1L139G137-L139 PolarHBondContact O-N 2.86Å
138G42.8Very low41.4Very low79 Ų79122.3 Ų122.381%0.81478%0.775SS**  trans-56.4131.3-171.400000116
139L37.4Very low41.1Very low169 Ų169122.7 Ų122.789%0.88578%0.776SS**  trans-71.9130.7-179.5-69169.5000113G137 P141G137-L139 PolarHBondContact O-N 2.86Å; L139-P141 WeakPolarHBondContact O-CD 3.41Å
140L37.8Very low40.7Very low160 Ų160122.3 Ų122.384%0.83878%0.779SS**  trans-91.1114.4157.2-79.3171000109.3T142L140-T142 PolarHBondContact O-N 3.13Å
141P44.6Very low40.1Very low124 Ų124122.8 Ų122.881%0.80579%0.793SS**  trans-83.299.8175.631.8-32.3000110.9L139L139-P141 WeakPolarHBondContact O-CD 3.41Å
142T44.3Very low40Very low127 Ų127125 Ų12578%0.77980%0.796SS**PPolyproline II helixtrans-101.1128.8162.2520000109.8L140L140-T142 PolarHBondContact O-N 3.13Å
143P37.8Very low40.1Very low122 Ų122127.5 Ų127.579%0.79280%0.8SS**PPolyproline II helixtrans-82.4137.2-160.631.2-36.4000114.4
144N36.4Very low39.5Very low159 Ų159128 Ų12885%0.8580%0.803SS**PPolyproline II helixtrans-94.3141.9153.5-98.63.4000109.5
145P46.3Very low39.2Very low108 Ų108125.8 Ų125.870%0.70181%0.806SS**PPolyproline II helixtrans-85.5152.2-179.234.1-35000113
146L37.2Very low38.6Very low160 Ų160123.1 Ų123.184%0.83880%0.795SS**  trans71.9136.1-178.4-47.6170.3000112.7
147T35.1Very low37.7Very low116 Ų116127.8 Ų127.871%0.71280%0.799SS**  cis-151.8162.416.1-29.20000110.7
148Q36Very low37Very low172 Ų172128.6 Ų128.680%0.80481%0.808SS**  trans68.2131.3168-68.5173.9-5.300114.8
149I36.8Very low36.5Very low170 Ų170129.4 Ų129.487%0.87281%0.807SS**  cis60.996.631.6-42.9174.3000112.2
150G33.8Very low36.8Very low68 Ų68127 Ų12770%0.70180%0.801SS**  cis169.1165.7-2.200000111.9
151A32.7Very low36.7Very low105 Ų105125.2 Ų125.287%0.86880%0.798SS**  trans47.899.516100000120.5
152V36Very low36.5Very low140 Ų140127.9 Ų127.985%0.84880%0.804SS**  trans-68.1171.3138.7-88.60000110.6
153P42.5Very low36.2Very low118 Ų118128.1 Ų128.177%0.76680%0.801SS**  cis-131.2172.22.240.4-25.6000115.2
154L30Very low36.7Very low169 Ų169127.8 Ų127.889%0.88580%0.798SS**  trans-153.5144.1139.3-160.760.8000111.3
155A35.1Very low36.9Very low96 Ų96124.2 Ų124.279%0.79379%0.791SS**  trans-120.6113.5172.300000109.6
156A32.8Very low36.7Very low81 Ų81127.2 Ų127.267%0.66980%0.8SS**  trans-169.2151.7167.800000111.7
157L34Very low36.8Very low179 Ų179124.7 Ų124.794%0.93780%0.802SS**  trans60.6138160.6-91.969.3000120.6
158G27.2Very low36.8Very low79 Ų79123.6 Ų123.681%0.81481%0.805SS**  trans114.371.8133.200000118.7
159A31.8Very low37.1Very low96 Ų96124.2 Ų124.279%0.79381%0.813SS**  trans-78.6157.4143.100000108.5
160P45.1Very low36.9Very low117 Ų117119.2 Ų119.276%0.7680%0.803SS**  -145.9151.477.639.8-22.9000117.1
161T35.2Very low37.2Very low124 Ų124124.2 Ų124.276%0.76181%0.813SS**  trans23.8128.2144.561.50000121.8
162L39.8Very low37.6Very low179 Ų179125 Ų12594%0.93781%0.809SS**  -144.3155.2125.2-85.7-167.1000111.8
163D37.8Very low37.6Very low133 Ų133122.4 Ų122.471%0.71181%0.811SS**  trans-65.9157.3-154.9-159.659.6000119.2
164P50Low37Very low115 Ų115121.5 Ų121.575%0.74781%0.814SS**  trans-104.357-174.240.7-32.1000114.8L166P164-L166 PolarHBondContact O-N 2.91Å
165A39.5Very low37.7Very low83 Ų83120.8 Ų120.869%0.68681%0.811SS**  trans-95.535.1-166.700000117.4
166L42.9Very low38.1Very low172 Ų172123.9 Ų123.990%0.90181%0.813SS**  trans-140.226.8-177.2-130131.5000116.7P164P164-L166 PolarHBondContact O-N 2.91Å
167A39.3Very low38.7Very low106 Ų106126.3 Ų126.388%0.87682%0.815SS**  trans-99.363.7172.700000111.7
168A35.2Very low39.2Very low94 Ų94122.5 Ų122.578%0.77780%0.803SS**  trans-143.241.6-165.200000116.9
169L42.3Very low40.1Very low185 Ų185127.4 Ų127.497%0.96981%0.805SS**  trans-153.1137.6150.9-151.268000109.6
170G32.8Very low40.8Very low65 Ų65127.6 Ų127.667%0.6780%0.8SS**  trans-128.3160.8-162.100000116.2
171L40.3Very low41.1Very low173 Ų173127.5 Ų127.591%0.90679%0.793SS**  trans70.4156.9166.4-53.5177.5000117.3
172P39.9Very low42Very low120 Ų120125.2 Ų125.278%0.77979%0.787SS**  cis-121.7165.8-32.134.4-20.2000112.1
173G35.7Very low42.4Very low87 Ų87120.1 Ų120.190%0.89777%0.77SS**  trans-76.5133.1-179.100000113.9
174A31Very low42.9Very low99 Ų99119.4 Ų119.482%0.81877%0.766SS**  trans-134.4135.5162.500000110.5
175N43.6Very low43.1Very low154 Ų154120.3 Ų120.382%0.82476%0.761SS**  trans-50.7130.3172.2167.217.8000112.6
176L43Very low43.9Very low160 Ų160122.1 Ų122.184%0.83876%0.758SS**  trans-169.1162.2143.9-106.7168.2000113.8
177N46.7Very low44.6Very low133 Ų133120 Ų12071%0.71175%0.747SS**  trans-75.4132.2-175.8178.56.3000112.9
178S43.7Very low45Very low99 Ų99121.9 Ų121.969%0.69274%0.735SS**  trans-119.314-165.856.60000116.8S180S178-S180 VanDerWaalsContact C-N 3.3Å; S178-S180 PolarHBondContact O-N 2.83Å
179Q46.3Very low45.8Very low182 Ų182123.5 Ų123.585%0.8573%0.73SS**SBendtrans-74.4-12.6173.6-80.4-77.1-63.400114.6
180S46.9Very low46Very low100 Ų100122.5 Ų122.570%0.69972%0.723SS**SBendtrans-103.8-6-168.2-161.70000116.4S178S178-S180 VanDerWaalsContact C-N 3.3Å; S178-S180 PolarHBondContact O-N 2.83Å
181L50.4Low46.9Very low115 Ų115123.2 Ų123.260%0.60272%0.717SS**SBendtrans-93.91.1-169.2-81.2168.6000115.8Q185L181-Q185 PolarHBondContact O-NE2 3.28Å; L181-Q185 VanDerWaalsContact O-NE2 3.14Å
182A54.9Low47.4Very low76 Ų76119.5 Ų119.563%0.62870%0.702SS**Hα-helixtrans-82.3-21.3-177.300000114.3
183A48.3Very low47.9Very low71 Ų71120.2 Ų120.259%0.58770%0.704SS**Hα-helixtrans-81.6-54.7-175.400000112.8Q185 L186 L187A183-Q185 PolarHBondContact O-N 3.35Å; A183-L186 PolarHBondContact O-N 3.28Å; A183-L187 PolarHBondContact O-N 3.4Å
184D48.5Very low47.9Very low118 Ų118123.4 Ų123.463%0.63170%0.7SS**Hα-helixtrans-64.9-36.1-174.7-83.2-86.7000114.1L186 L187 K188D184-L186 PolarHBondContact O-N 2.8Å; D184-L187 PolarHBondContact O-N 3.48Å; D184-K188 WeakPolarHBondContact O-CB 3.31Å; D184-K188 PolarHBondContact O-N 3.01Å
185Q54.8Low48.8Very low135 Ų135123.8 Ų123.863%0.63169%0.694SS**Hα-helixtrans-66.5-35.6-179-76.4-177.98300112.7L181 A183 K188 L189L181-Q185 PolarHBondContact O-NE2 3.28Å; L181-Q185 VanDerWaalsContact O-NE2 3.14Å; A183-Q185 PolarHBondContact O-N 3.35Å; Q185-K188 PolarHBondContact O-N 2.89Å; Q185-L189 PolarHBondContact O-N 3.48Å; Q185-L189 VanDerWaalsContact O-N 3.16Å
186L55.7Low48.8Very low121 Ų121125.8 Ų125.863%0.63470%0.696SS**Hα-helixtrans-67.6-41.4174.9-81.4169.6000111.6A183 D184 K188 L189 M190A183-L186 PolarHBondContact O-N 3.28Å; D184-L186 PolarHBondContact O-N 2.8Å; L186-K188 VanDerWaalsContact C-N 3.32Å; L186-K188 PolarHBondContact O-N 2.86Å; L186-L189 PolarHBondContact O-N 2.91Å; L186-M190 PolarHBondContact O-N 2.86Å
187L57.1Low48.6Very low126 Ų126125.1 Ų125.166%0.6669%0.692SS**Hα-helixtrans-68-34.5178.5-165.962.7000111.8A183 D184 M190A183-L187 PolarHBondContact O-N 3.4Å; D184-L187 PolarHBondContact O-N 3.48Å; L187-M190 PolarHBondContact O-N 3.25Å
188K48Very low48.4Very low147 Ų147126.6 Ų126.664%0.63970%0.7SS**Hα-helixtrans-68.7-34.1176.7-160.766.6171-179.50113.3D184 Q185 L186 S191D184-K188 WeakPolarHBondContact O-CB 3.31Å; D184-K188 PolarHBondContact O-N 3.01Å; Q185-K188 PolarHBondContact O-N 2.89Å; L186-K188 VanDerWaalsContact C-N 3.32Å; L186-K188 PolarHBondContact O-N 2.86Å; K188-S191 PolarHBondContact O-N 3.05Å; K188-S191 PolarHBondContact O-OG 3.41Å
189L51.7Low48.2Very low127 Ų127129.8 Ų129.867%0.66570%0.704SS**Hα-helixtrans-72.1-29.3178.4-175.160.7000112.8Q185 L186 S191Q185-L189 PolarHBondContact O-N 3.48Å; Q185-L189 VanDerWaalsContact O-N 3.16Å; L186-L189 PolarHBondContact O-N 2.91Å; L189-S191 VanDerWaalsContact C-N 3.3Å; L189-S191 PolarHBondContact O-N 3.38Å
190M45.9Very low48.1Very low165 Ų165128.2 Ų128.281%0.81371%0.706SS**THydrogen-bonded Turntrans-79.4-9.4177.2-65.5-17371.800113.7L186 L187L186-M190 PolarHBondContact O-N 2.86Å; L187-M190 PolarHBondContact O-N 3.25Å
191S51.6Low47.6Very low79 Ų79128.3 Ų128.355%0.55271%0.713SS**THydrogen-bonded Turntrans-108.214.9-17285.70000114.9K188 L189K188-S191 PolarHBondContact O-N 3.05Å; K188-S191 PolarHBondContact O-OG 3.41Å; L189-S191 VanDerWaalsContact C-N 3.3Å; L189-S191 PolarHBondContact O-N 3.38Å
192T52Low47Very low95 Ų95127.9 Ų127.958%0.58373%0.726SS**  trans-126.419.6-172.258.80000114.8
193V50.3Low46.3Very low136 Ų136127.8 Ų127.882%0.82473%0.732SS**  trans-10572.3172.1-171.20000109.3
194D36.1Very low46Very low153 Ų153132.4 Ų132.482%0.81875%0.746SS**  trans-78.9145.7173.6-112-41.4000111.1
195P49.1Very low45.5Very low107 Ų107133 Ų13370%0.69575%0.753SS**  trans-97.9109.2-161.935.1-32.8000114
196K43.7Very low45Very low197 Ų197131.4 Ų131.486%0.85776%0.757SS**  trans-160.9138.3153.6-106.8137.9-171.7173.30112.8
197L38.2Very low44.2Very low146 Ų146131.6 Ų131.676%0.76477%0.766SS**  trans5894.8166.6-53.9179.2000116.7
198N43.3Very low43.5Very low164 Ų164130.1 Ų130.188%0.87777%0.766SS**  -156.3116.4107.4-97.8-24.1000111.2
199H39.2Very low43.5Very low166 Ų166130.6 Ų130.677%0.76978%0.775SS**  trans-80.7167.3160.2-67.7-102.6000108.8
200V45Very low43.4Very low149 Ų149133.1 Ų133.190%0.90378%0.78SS**  trans70.561.6175.1-1590000114.9
201A36.3Very low43.9Very low102 Ų102128.3 Ų128.384%0.84376%0.763SS**  trans-128.4117.4142.400000107.1
202A36.5Very low44Very low106 Ų106129.6 Ų129.688%0.87676%0.764SS**  trans-89.6130-161.300000114
203G41.7Very low44.4Very low73 Ų73129.3 Ų129.375%0.75376%0.762SS**  trans61.594.2140.200000119.1
204L42Very low44.9Very low169 Ų169125.1 Ų125.189%0.88574%0.739SS**  trans-144.881.9144.7-113.5167.2000111.5
205V37.5Very low46.5Very low129 Ų129121 Ų12178%0.78272%0.722SS**  trans52.3108.8155-176.10000117.8
206S43.5Very low48Very low102 Ų102122.3 Ų122.371%0.71372%0.717SS**  trans-73.2160.9161.558.20000111.8
207P38.8Very low49.6Very low125 Ų125119.2 Ų119.281%0.81271%0.705SS**  -132.9126.2114.234.9-27000113.2
208S42.7Very low51.6Low95 Ų95117.3 Ų117.366%0.66470%0.695SS**  trans-75.4-170.6161.5-171.20000110.7
209L48.4Very low53.5Low158 Ų158115.8 Ų115.883%0.82768%0.682SS**SBendtrans81.725.5168.4-44.9179.6000118.2
210K49.6Very low55.6Low179 Ų179112.5 Ų112.578%0.77867%0.667SS**  trans-139.419.2170.9-68.3-169.8179.8175.80116.2D212K210-D212 PolarHBondContact O-N 3.06Å
211S55.1Low57.5Low64 Ų64107.7 Ų107.745%0.44864%0.643SS.*Hα-helixtrans-67.4-30.5179.241.30000114.4T213 S214 S215S211-T213 PolarHBondContact O-N 3.1Å; S211-S214 PolarHBondContact O-OG 3.48Å; S211-S215 WeakPolarHBondContact O-CB 3.33Å; S211-S215 PolarHBondContact O-N 3.43Å; S211-S215 PolarHBondContact O-OG 2.87Å
212D55.3Low59.8Low106 Ų106108.1 Ų108.157%0.56763%0.629SS**Hα-helixtrans-89.6-6.8-157.6-48.6-20.7000113.9K210 K216K210-D212 PolarHBondContact O-N 3.06Å; D212-K216 WeakPolarHBondContact O-CD 3.47Å; D212-K216 WeakPolarHBondContact O-CE 3.41Å; D212-K216 WeakPolarHBondContact O-CG 3.42Å; D212-K216 PolarHBondContact O-NZ 3.32Å
213T59.7Low62.4Low89 Ų89109.8 Ų109.855%0.54662%0.617SS.*Hα-helixtrans-92.8-49.5169.949.70000110.7S211 S215 K216 E217S211-T213 PolarHBondContact O-N 3.1Å; T213-S215 VanDerWaalsContact C-N 3.32Å; T213-S215 PolarHBondContact O-N 2.93Å; T213-K216 PolarHBondContact O-N 2.85Å; T213-K216 VanDerWaalsContact O-N 3.1Å; T213-E217 PolarHBondContact O-N 2.93Å
214S61.7Low64.4Low48 Ų48112.6 Ų112.634%0.33661%0.605SS.*Hα-helixtrans-63.3-36.5178.453.40000112.2S211 K216 E217 I218S211-S214 PolarHBondContact O-OG 3.48Å; S214-K216 VanDerWaalsContact C-N 3.27Å; S214-K216 PolarHBondContact O-N 3.17Å; S214-E217 PolarHBondContact O-N 3.4Å; S214-I218 WeakPolarHBondContact O-CB 3.34Å; S214-I218 WeakPolarHBondContact O-CD1 3.4Å; S214-I218 WeakPolarHBondContact O-CG1 3.35Å; S214-I218 PolarHBondContact O-N 2.8Å
215S69.6Low66.7Low66 Ų66108.1 Ų108.146%0.46258%0.584SS.*Hα-helixtrans-60.7-35.7174.9-58.10000112.5S211 T213 E219S211-S215 WeakPolarHBondContact O-CB 3.33Å; S211-S215 PolarHBondContact O-N 3.43Å; S211-S215 PolarHBondContact O-OG 2.87Å; T213-S215 VanDerWaalsContact C-N 3.32Å; T213-S215 PolarHBondContact O-N 2.93Å; S215-E219 WeakPolarHBondContact O-CB 3.33Å; S215-E219 PolarHBondContact O-N 2.9Å
216K79.9Confident69.2Low136 Ų136109.5 Ų109.559%0.59158%0.575SS**Hα-helixtrans-76.4-35.8177.4-66.3177.9-175.3117.20112.1D212 T213 S214 E219 E220D212-K216 WeakPolarHBondContact O-CD 3.47Å; D212-K216 WeakPolarHBondContact O-CE 3.41Å; D212-K216 WeakPolarHBondContact O-CG 3.42Å; D212-K216 PolarHBondContact O-NZ 3.32Å; T213-K216 PolarHBondContact O-N 2.85Å; T213-K216 VanDerWaalsContact O-N 3.1Å; S214-K216 VanDerWaalsContact C-N 3.27Å; S214-K216 PolarHBondContact O-N 3.17Å; K216-E219 PolarHBondContact O-N 3.35Å; K216-E220 WeakPolarHBondContact O-CB 3.41Å; K216-E220 PolarHBondContact O-N 2.87Å
217E77.6Confident71.3Confident131 Ų131110 Ų11061%0.61257%0.566SS**Hα-helixtrans-65.8-39.3172.6-69.1167.3-172.300111.3T213 S214 E220 A221T213-E217 PolarHBondContact O-N 2.93Å; S214-E217 PolarHBondContact O-N 3.4Å; E217-E220 PolarHBondContact O-N 3.04Å; E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 2.94Å
218I81Confident73.6Confident106 Ų106106.2 Ų106.254%0.54455%0.546SS..Hα-helixtrans-67-42.6173.1-68.1164.2000111S214 A221 M222S214-I218 WeakPolarHBondContact O-CB 3.34Å; S214-I218 WeakPolarHBondContact O-CD1 3.4Å; S214-I218 WeakPolarHBondContact O-CG1 3.35Å; S214-I218 PolarHBondContact O-N 2.8Å; I218-A221 PolarHBondContact O-N 2.92Å; I218-M222 HydrophobicContact CG2-CG 4.46Å; I218-M222 WeakPolarHBondContact O-CB 3.46Å; I218-M222 WeakPolarHBondContact O-CG 3.22Å; I218-M222 PolarHBondContact O-N 3.35Å
219E82.4Confident75.6Confident133 Ų133107 Ų10762%0.62154%0.539SS*.Hα-helixtrans-62.9-43.3174.7-173.6178.9-167.300111.5S215 K216 A221 M222 K223S215-E219 WeakPolarHBondContact O-CB 3.33Å; S215-E219 PolarHBondContact O-N 2.9Å; K216-E219 PolarHBondContact O-N 3.35Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 3.18Å; E219-M222 CarbonylContact O-C 3.6Å; E219-M222 PolarHBondContact O-N 3.4Å; E219-K223 WeakPolarHBondContact O-CB 3.49Å; E219-K223 PolarHBondContact O-N 2.86Å
220E83.8Confident77.4Confident97 Ų97103.1 Ų103.145%0.45353%0.525SS..Hα-helixtrans-66.6-35.6177.1-154.3-166.2-16100111.7K216 E217 K223 R224K216-E220 WeakPolarHBondContact O-CB 3.41Å; K216-E220 PolarHBondContact O-N 2.87Å; E217-E220 PolarHBondContact O-N 3.04Å; E220-K223 PolarHBondContact O-N 2.87Å; E220-R224 WeakPolarHBondContact O-CG 3.34Å; E220-R224 PolarHBondContact O-N 2.8Å; E220-R224 IonicContact OE1-CZ 3.54Å; E220-R224 IonicContact OE1-NH1 2.69Å; E220-R224 IonicContact OE1-NH2 3.66Å; E220-R224 PolarHBondContact OE1-NH2 3.28Å; E220-R224 IonicContact OE2-CZ 3.88Å; E220-R224 IonicContact OE2-NH1 3.68Å; E220-R224 PolarHBondContact OE2-NH1 3.44Å; E220-R224 IonicContact OE2-NH2 3.16Å; E220-R224 PolarHBondContact OE2-NH2 2.96Å
221A84.3Confident79Confident48 Ų48100.1 Ų100.140%0.39752%0.517SS..Hα-helixtrans-64.7-47.7170.300000111.8E217 I218 E219 K223 R224 V225E217-A221 WeakPolarHBondContact O-CB 3.41Å; E217-A221 PolarHBondContact O-N 2.94Å; I218-A221 PolarHBondContact O-N 2.92Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 3.18Å; A221-K223 PolarHBondContact O-N 2.84Å; A221-R224 PolarHBondContact O-N 3.07Å; A221-R224 VanDerWaalsContact O-N 3.13Å; A221-V225 WeakPolarHBondContact O-CG2 3.38Å; A221-V225 PolarHBondContact O-N 3.2Å
222M85.3Confident80.1Confident111 Ų111101.7 Ų101.755%0.54752%0.519SS..Hα-helixtrans-63.8-24.5175.3-77.1-69.2-14200113.2I218 E219 R226I218-M222 HydrophobicContact CG2-CG 4.46Å; I218-M222 WeakPolarHBondContact O-CB 3.46Å; I218-M222 WeakPolarHBondContact O-CG 3.22Å; I218-M222 PolarHBondContact O-N 3.35Å; E219-M222 CarbonylContact O-C 3.6Å; E219-M222 PolarHBondContact O-N 3.4Å; M222-R226 PolarHBondContact O-N 3.43Å; M222-R226 PolarHBondContact O-NE 3.17Å
223K91.3Very high81.2Confident141 Ų141100 Ų10061%0.61352%0.516SS*.Hα-helixtrans-75.9-46.2170.4-174.6-179.1176.6-175.90111E219 E220 A221 V225 R226 E227E219-K223 WeakPolarHBondContact O-CB 3.49Å; E219-K223 PolarHBondContact O-N 2.86Å; E220-K223 PolarHBondContact O-N 2.87Å; A221-K223 PolarHBondContact O-N 2.84Å; K223-V225 VanDerWaalsContact C-N 3.31Å; K223-V225 PolarHBondContact O-N 2.81Å; K223-R226 PolarHBondContact O-N 2.71Å; K223-E227 WeakPolarHBondContact O-CB 3.31Å; K223-E227 PolarHBondContact O-N 3.18Å
224R83.3Confident81.7Confident132 Ų13299.4 Ų99.450%0.49852%0.52SS..Hα-helixtrans-61-36.2174.4-74.1178.5-175.7107.44.7112.9E220 A221 E227 A228E220-R224 WeakPolarHBondContact O-CG 3.34Å; E220-R224 PolarHBondContact O-N 2.8Å; E220-R224 IonicContact OE1-CZ 3.54Å; E220-R224 IonicContact OE1-NH1 2.69Å; E220-R224 IonicContact OE1-NH2 3.66Å; E220-R224 PolarHBondContact OE1-NH2 3.28Å; E220-R224 IonicContact OE2-CZ 3.88Å; E220-R224 IonicContact OE2-NH1 3.68Å; E220-R224 PolarHBondContact OE2-NH1 3.44Å; E220-R224 IonicContact OE2-NH2 3.16Å; E220-R224 PolarHBondContact OE2-NH2 2.96Å; A221-R224 PolarHBondContact O-N 3.07Å; A221-R224 VanDerWaalsContact O-N 3.13Å; R224-E227 PolarHBondContact O-N 2.99Å; R224-A228 VanDerWaalsContact O-CB 3.3Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 3.42Å
225V89.2Confident81.9Confident75 Ų75101.2 Ų101.246%0.45554%0.537SS..Hα-helixtrans-63.4-46.3173.1170.20000110.8A221 K223 A228 Q229A221-V225 WeakPolarHBondContact O-CG2 3.38Å; A221-V225 PolarHBondContact O-N 3.2Å; K223-V225 VanDerWaalsContact C-N 3.31Å; K223-V225 PolarHBondContact O-N 2.81Å; V225-A228 PolarHBondContact O-N 3.19Å; V225-Q229 WeakPolarHBondContact O-CB 3.47Å; V225-Q229 VanDerWaalsContact O-CG 3.31Å; V225-Q229 WeakPolarHBondContact O-CG 3.31Å; V225-Q229 PolarHBondContact O-N 2.66Å
226R90.7Very high81.9Confident157 Ų157104 Ų10459%0.59255%0.546SS*.Hα-helixtrans-67.6-34.1176-81.3176.8-79.4-177.9-5.8113.2M222 K223 S230M222-R226 PolarHBondContact O-N 3.43Å; M222-R226 PolarHBondContact O-NE 3.17Å; K223-R226 PolarHBondContact O-N 2.71Å; R226-S230 VanDerWaalsContact O-CB 3.25Å; R226-S230 WeakPolarHBondContact O-CB 3.43Å; R226-S230 PolarHBondContact O-N 2.9Å
227E87.8Confident80.5Confident113 Ų113104.9 Ų104.953%0.52855%0.552SS.*Hα-helixtrans-66-45.4172.9-175.4175.4-174.100111.3K223 R224 S230 L231K223-E227 WeakPolarHBondContact O-CB 3.31Å; K223-E227 PolarHBondContact O-N 3.18Å; R224-E227 PolarHBondContact O-N 2.99Å; E227-S230 PolarHBondContact O-N 3.09Å; E227-L231 HydrophobicContact CG-CD1 4.35Å; E227-L231 WeakPolarHBondContact O-CB 3.27Å; E227-L231 WeakPolarHBondContact O-CG 3.48Å; E227-L231 PolarHBondContact O-N 2.73Å
228A87.4Confident79.1Confident46 Ų46103.7 Ų103.738%0.3856%0.556SS.*Hα-helixtrans-63.3-43.9174.400000112R224 V225 S230 L231 I232R224-A228 VanDerWaalsContact O-CB 3.3Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 3.42Å; V225-A228 PolarHBondContact O-N 3.19Å; A228-S230 VanDerWaalsContact C-N 3.34Å; A228-S230 PolarHBondContact O-N 3Å; A228-L231 PolarHBondContact O-N 2.69Å; A228-I232 WeakPolarHBondContact O-CB 3.18Å; A228-I232 WeakPolarHBondContact O-CD1 3.19Å; A228-I232 WeakPolarHBondContact O-CG1 3.5Å; A228-I232 PolarHBondContact O-N 2.74Å
229Q83.9Confident77.5Confident111 Ų111105 Ų10552%0.51956%0.564SS.*Hα-helixtrans-61.5-40.6173.8-75.3172.8-27.400111.9V225 I232 S233V225-Q229 WeakPolarHBondContact O-CB 3.47Å; V225-Q229 VanDerWaalsContact O-CG 3.31Å; V225-Q229 WeakPolarHBondContact O-CG 3.31Å; V225-Q229 PolarHBondContact O-N 2.66Å; Q229-I232 PolarHBondContact O-N 3.43Å; Q229-S233 PolarHBondContact O-N 3.38Å; Q229-S233 PolarHBondContact O-OG 2.7Å
230S87.3Confident76.2Confident77 Ų77107.7 Ų107.754%0.53857%0.573SS.*Hα-helixtrans-64-43.9175.4-174.30000112.3R226 E227 A228 I232 S233 A234R226-S230 VanDerWaalsContact O-CB 3.25Å; R226-S230 WeakPolarHBondContact O-CB 3.43Å; R226-S230 PolarHBondContact O-N 2.9Å; E227-S230 PolarHBondContact O-N 3.09Å; A228-S230 VanDerWaalsContact C-N 3.34Å; A228-S230 PolarHBondContact O-N 3Å; S230-I232 VanDerWaalsContact C-N 3.32Å; S230-I232 PolarHBondContact O-N 2.64Å; S230-S233 PolarHBondContact O-N 2.68Å; S230-A234 WeakPolarHBondContact O-CB 3.35Å; S230-A234 PolarHBondContact O-N 2.9Å
231L81.8Confident74.8Confident115 Ų115112.5 Ų112.560%0.60259%0.593SS**Hα-helixtrans-64.8-34.4174.4-72.9168000112.6E227 A228 A235E227-L231 HydrophobicContact CG-CD1 4.35Å; E227-L231 WeakPolarHBondContact O-CB 3.27Å; E227-L231 WeakPolarHBondContact O-CG 3.48Å; E227-L231 PolarHBondContact O-N 2.73Å; A228-L231 PolarHBondContact O-N 2.69Å; L231-A235 WeakPolarHBondContact O-CB 3.32Å; L231-A235 PolarHBondContact O-N 3.05Å
232I79.4Confident72.7Confident98 Ų98114.7 Ų114.750%0.50360%0.595SS.*Hα-helixtrans-67.8-48.2173.7-72.9164.1000110.2A228 Q229 S230 A234 A235 I236A228-I232 WeakPolarHBondContact O-CB 3.18Å; A228-I232 WeakPolarHBondContact O-CD1 3.19Å; A228-I232 WeakPolarHBondContact O-CG1 3.5Å; A228-I232 PolarHBondContact O-N 2.74Å; Q229-I232 PolarHBondContact O-N 3.43Å; S230-I232 VanDerWaalsContact C-N 3.32Å; S230-I232 PolarHBondContact O-N 2.64Å; I232-A234 PolarHBondContact O-N 2.9Å; I232-A235 CarbonylContact O-C 3.56Å; I232-A235 PolarHBondContact O-N 2.93Å; I232-I236 HydrophobicContact CG2-CD1 3.57Å; I232-I236 HydrophobicContact CG2-CG1 4.39Å; I232-I236 WeakPolarHBondContact O-CB 3.34Å; I232-I236 WeakPolarHBondContact O-CG1 3.06Å; I232-I236 PolarHBondContact O-N 3.34Å
233S77.8Confident71Confident70 Ų70118.3 Ų118.349%0.4961%0.61SS.*Hα-helixtrans-59.4-44.7175.4-64.70000112.1Q229 S230 A235 I236 E237Q229-S233 PolarHBondContact O-N 3.38Å; Q229-S233 PolarHBondContact O-OG 2.7Å; S230-S233 PolarHBondContact O-N 2.68Å; S233-A235 PolarHBondContact O-N 2.81Å; S233-A235 VanDerWaalsContact O-N 3.13Å; S233-I236 PolarHBondContact O-N 2.8Å; S233-E237 PolarHBondContact O-N 3.16Å
234A69.9Low69Low77 Ų77120.8 Ų120.864%0.63662%0.621SS**Hα-helixtrans-66.1-11.217600000114.3S230 I232S230-A234 WeakPolarHBondContact O-CB 3.35Å; S230-A234 PolarHBondContact O-N 2.9Å; I232-A234 PolarHBondContact O-N 2.9Å
235A65.6Low67.4Low85 Ų85123.9 Ų123.970%0.70263%0.633SS**Hα-helixtrans-106.4-4.8172.400000113.5L231 I232 S233L231-A235 WeakPolarHBondContact O-CB 3.32Å; L231-A235 PolarHBondContact O-N 3.05Å; I232-A235 CarbonylContact O-C 3.56Å; I232-A235 PolarHBondContact O-N 2.93Å; S233-A235 PolarHBondContact O-N 2.81Å; S233-A235 VanDerWaalsContact O-N 3.13Å
236I70.8Confident65.3Low124 Ų124131.9 Ų131.964%0.63666%0.655SS**Hα-helixtrans-113-19.8-179.7-71.3179.9000111.9I232 S233 P238I232-I236 HydrophobicContact CG2-CD1 3.57Å; I232-I236 HydrophobicContact CG2-CG1 4.39Å; I232-I236 WeakPolarHBondContact O-CB 3.34Å; I232-I236 WeakPolarHBondContact O-CG1 3.06Å; I232-I236 PolarHBondContact O-N 3.34Å; S233-I236 PolarHBondContact O-N 2.8Å; I236-P238 WeakPolarHBondContact O-CD 3.48Å
237E50.3Low63Low155 Ų155131.7 Ų131.772%0.72466%0.66SS**SBendtrans-54.8120.8166.7-80.3-167.8174.500110.2S233 D239S233-E237 PolarHBondContact O-N 3.16Å; E237-D239 PolarHBondContact O-N 3.44Å
238P48.6Very low60.8Low106 Ų106131.4 Ų131.469%0.68867%0.671SS**  trans-74.3118.2-168.427.1-34000111.4I236 K240I236-P238 WeakPolarHBondContact O-CD 3.48Å; P238-K240 PolarHBondContact O-N 3.14Å
239D47.2Very low58.6Low133 Ų133139.1 Ų139.171%0.71169%0.69SS**  trans-62.279.2-167.7-163.1-8.8000114.6E237 K241E237-D239 PolarHBondContact O-N 3.44Å; D239-K241 PolarHBondContact O-N 3.41Å
240K55.4Low56.4Low190 Ų190139 Ų13983%0.82670%0.702SS**  trans-91.765.9174.2-72.9-176.1178.3176.40111.7P238P238-K240 PolarHBondContact O-N 3.14Å
241K53.8Low54.1Low199 Ų199145.6 Ų145.687%0.86572%0.715SS**SBendtrans128.379.8157.3-68.8161.9179.7173.10115D239D239-K241 PolarHBondContact O-N 3.41Å
242E40.5Very low52Low93 Ų93145.4 Ų145.444%0.43572%0.723SS.*  trans-135.132.7161.6-103-75.1141.500114.2K244 R245E242-K244 PolarHBondContact O-N 3.41Å; E242-R245 IonicContact OE1-CZ 3.01Å; E242-R245 IonicContact OE1-NE 2.66Å; E242-R245 IonicContact OE1-NH1 3.59Å; E242-R245 PolarHBondContact OE1-NH1 3.41Å; E242-R245 VanDerWaalsContact OE2-CB 3.31Å; E242-R245 WeakPolarHBondContact OE2-CB 3.28Å; E242-R245 VanDerWaalsContact OE2-CD 3.27Å; E242-R245 WeakPolarHBondContact OE2-CD 3.45Å; E242-R245 VanDerWaalsContact OE2-CG 3.28Å; E242-R245 WeakPolarHBondContact OE2-CG 3.48Å
243E48.1Very low50Low187 Ų187149.8 Ų149.887%0.87473%0.733SS**THydrogen-bonded Turntrans-65.711-177.5-150.7-143153.400115.7
244K49.7Very low48.1Very low193 Ų193152 Ų15284%0.83975%0.748SS**THydrogen-bonded Turntrans-131.312.6-167.3-67.3-172.4178.5174.40116.8E242E242-K244 PolarHBondContact O-N 3.41Å
245R49.2Very low46.7Very low198 Ų198158.6 Ų158.675%0.74776%0.757SS**  trans-116.629.7178.8-68.1-167.7163.6128.8-9.8117.1E242 H247E242-R245 IonicContact OE1-CZ 3.01Å; E242-R245 IonicContact OE1-NE 2.66Å; E242-R245 IonicContact OE1-NH1 3.59Å; E242-R245 PolarHBondContact OE1-NH1 3.41Å; E242-R245 VanDerWaalsContact OE2-CB 3.31Å; E242-R245 WeakPolarHBondContact OE2-CB 3.28Å; E242-R245 VanDerWaalsContact OE2-CD 3.27Å; E242-R245 WeakPolarHBondContact OE2-CD 3.45Å; E242-R245 VanDerWaalsContact OE2-CG 3.28Å; E242-R245 WeakPolarHBondContact OE2-CG 3.48Å; R245-H247 PolarHBondContact O-N 2.93Å
246R45.8Very low45.4Very low243 Ų243165.6 Ų165.692%0.91777%0.765SS**  trans-88.4105.7166.1-69.5-164.9176.3-152.9-1.5112.5S248R246-S248 PolarHBondContact O-N 3.3Å
247H42.8Very low44Very low153 Ų153171.4 Ų171.471%0.70878%0.779SS**  trans-59.785.2176.9175.287.8000112.7R245 R249R245-H247 PolarHBondContact O-N 2.93Å; H247-R249 PolarHBondContact O-N 3.44Å
248S41.2Very low43.4Very low106 Ų106175.2 Ų175.274%0.74179%0.787SS**  trans-80.396178.353.20000111.2R246 S250R246-S248 PolarHBondContact O-N 3.3Å; S248-S250 VanDerWaalsContact C-N 3.28Å; S248-S250 PolarHBondContact O-N 3.16Å
249R41Very low43.1Very low209 Ų209176.3 Ų176.379%0.78979%0.792SS**  trans-7277.9-177.6-155.9175.9-165.8127-6.3111.6H247 R251H247-R249 PolarHBondContact O-N 3.44Å; R249-R251 PolarHBondContact O-N 3.48Å
250S38.4Very low42.8Very low109 Ų109176 Ų17676%0.76280%0.797SS**  trans-56.898.9-169.249.60000113.9S248S248-S250 VanDerWaalsContact C-N 3.28Å; S248-S250 PolarHBondContact O-N 3.16Å
251R38.5Very low41.8Very low215 Ų215173 Ų17381%0.81180%0.8SS**  trans-109.458.6-178.8-148.1169.7-158.61646.3112.5R249 R253R249-R251 PolarHBondContact O-N 3.48Å; R251-R253 PolarHBondContact O-N 3.5Å
252S37.4Very low41.1Very low110 Ų110169.2 Ų169.277%0.76980%0.799SS**  trans-46.2105-177-55.50000113.2
253R38.9Very low41.1Very low190 Ų190169.4 Ų169.472%0.71781%0.81SS**  trans-133.368.3173.9-78.6-173.5167.2172.4-3.2110.7R251 R255R251-R253 PolarHBondContact O-N 3.5Å; R253-R255 PolarHBondContact O-N 3.42Å
254S37.3Very low40.7Very low117 Ų117171.4 Ų171.482%0.81881%0.81SS**  trans-6665.2171.844.80000112.3R256S254-R256 PolarHBondContact O-N 3.4Å
255R41.3Very low40.1Very low216 Ų216170.9 Ų170.982%0.81581%0.81SS**  trans-71.977.1171.6-75.8-174.2170178.5-4.1110R253 R257R253-R255 PolarHBondContact O-N 3.42Å; R255-R257 PolarHBondContact O-N 3.48Å
256R38.2Very low39.5Very low232 Ų232173 Ų17388%0.87582%0.818SS**  trans-43.3125.7162.2-83.2-173.2170-143.70.8108.6S254 R258S254-R256 PolarHBondContact O-N 3.4Å; R256-R258 VanDerWaalsContact C-N 3.31Å; R256-R258 PolarHBondContact O-N 3.44Å
257R40.3Very low39Very low246 Ų246173 Ų17393%0.92882%0.818SS**  trans-66.293.1166.5-71.6-174.2177.5-169.70.5108R255 T259R255-R257 PolarHBondContact O-N 3.48Å; R257-T259 PolarHBondContact O-N 3.5Å
258R38.9Very low38.9Very low234 Ų234170.7 Ų170.788%0.88382%0.819SS**  trans-64.8112.7166.6-80.3-178.8169.3164.8-4107.6R256R256-R258 VanDerWaalsContact C-N 3.31Å; R256-R258 PolarHBondContact O-N 3.44Å
259T42Very low38.7Very low129 Ų129176.4 Ų176.479%0.79182%0.824SS**  trans-64.8129.1166.236.60000109.2R257 S261R257-T259 PolarHBondContact O-N 3.5Å; T259-S261 PolarHBondContact O-N 3.4Å
260P40.2Very low38.4Very low126 Ų126172.3 Ų172.382%0.81883%0.827SS**  trans-68.3119.1173.2-2033.4000110.2S262P260-S262 PolarHBondContact O-N 3.39Å; P260-S262 VanDerWaalsContact O-N 3.13Å
261S35.2Very low38.4Very low128 Ų128178.1 Ų178.190%0.89583%0.832SS**  trans-74.598.8174.1540000110.4T259T259-S261 PolarHBondContact O-N 3.4Å
262S37.5Very low38.6Very low120 Ų120173.8 Ų173.884%0.83984%0.835SS**  trans-96.3134.7163.6-167.90000110P260P260-S262 PolarHBondContact O-N 3.39Å; P260-S262 VanDerWaalsContact O-N 3.13Å
263S40.8Very low38.6Very low96 Ų96179.4 Ų179.467%0.67184%0.84SS**  trans-88.6143.5-172.865.20000112.7
264R40.6Very low38.4Very low230 Ų230181 Ų18187%0.86885%0.846SS**  trans169.395.2133.5-91.8155.1-172-161.63112.1
265H36.4Very low38.3Very low181 Ų181185.5 Ų185.584%0.83885%0.845SS**  -179.8132.6115.5-105.919.8000111.5
266R36.4Very low38Very low242 Ų242180.3 Ų180.391%0.91384%0.842SS**  trans-95.8115.6169-68.3176.8176172.9-2.4108.1
267R35.9Very low38Very low245 Ų245178.1 Ų178.193%0.92584%0.841SS**  trans-100.282.9159.7-86.2-175.5170.2159.5-2.3108.8
268S40.4Very low37.8Very low104 Ų104170.3 Ų170.373%0.72782%0.824SS**  trans-71.1132.417441.50000110.8
269R36.3Very low37.9Very low226 Ų226169 Ų16985%0.85383%0.825SS**  trans-64.3139.5172.2-66.8169167.7139.8-5.9110.4
270S34.7Very low37.5Very low122 Ų122167.8 Ų167.885%0.85382%0.822SS**  trans-128.4120.4152.6-72.60000108.8
271R40.3Very low37.4Very low231 Ų231173.2 Ų173.287%0.87283%0.826SS**  trans-101.4117.1171.5-76.5172.8166.6158.7-8108
272S40.8Very low37.5Very low125 Ų125171.3 Ų171.387%0.87481%0.813SS**  trans-101.3136.5158.446.20000109.5
273R38Very low37.5Very low227 Ų227176.6 Ų176.686%0.85781%0.814SS**  trans-126.7161.2172-83.6177.3160.8175.9-7.8106.8
274R34.9Very low37.2Very low224 Ų224183.7 Ų183.785%0.84583%0.826SS**  trans79.8146.6173-52.3177.4-179-136.82114.5
275R35Very low37Very low211 Ų211184 Ų18480%0.79683%0.828SS**  cis-168.1145.9-30.8-122.3170.1-176.2166.4-1.6108.7
276S34.9Very low37Very low108 Ų108180.1 Ų180.176%0.75582%0.82SS**  trans46.3119.5151.157.70000122
277H37.9Very low36.8Very low185 Ų185178.7 Ų178.786%0.85682%0.821SS**  trans-144.6175.2136.4-148.661.6000113
278S36.7Very low36.8Very low83 Ų83172.5 Ų172.558%0.5882%0.815SS**  trans-75.9122.6-15055.50000120.1
279K40.1Very low37.3Very low206 Ų206173.3 Ų173.390%0.89682%0.818SS**  -0.1108.3123.4-176.2-177.7-175178.70117.9
280S35.1Very low37.4Very low103 Ų103174.5 Ų174.572%0.7282%0.822SS**  trans170.8163.4142.766.20000109.7
281R36.8Very low37.9Very low240 Ų240180.2 Ų180.291%0.90683%0.825SS**  cis-147.9170.3-10.1-130.1165.4-174.8153.8-2.8108.7
282S37.4Very low37.6Very low89 Ų89179.5 Ų179.562%0.62282%0.822SS**  trans-82.5162.4-167.1660000116.9
283R37.9Very low37.4Very low231 Ų231182.7 Ų182.787%0.87282%0.816SS**  trans75.2104.6153.2-63.2160.8-178.5173.5-0.2119.4
284R34.9Very low37.2Very low244 Ų244176.8 Ų176.892%0.92181%0.809SS**  -157.7108.4116.2-96.9160.8-164.2-113.53.1106.3
285R36.3Very low37.4Very low238 Ų238175.3 Ų175.390%0.89881%0.811SS**  39.4124.690.8-88-170173.5172.5-2.2113.3
286S35.7Very low37.4Very low98 Ų98169 Ų16969%0.68580%0.799SS**  cis170.7122.4-19.235.10000107.2
287K32.1Very low37.6Very low213 Ų213174.5 Ų174.593%0.92680%0.803SS**  trans-161.295.6165.8-118164.6-174.7175.50112.3
288S37.5Very low37.5Very low115 Ų115172 Ų17280%0.80479%0.792SS**  trans-98.3-173.6164.5-46.20000109
289P50.3Low37.4Very low121 Ų121178.1 Ų178.179%0.78680%0.803SS**  -114170.8-108.333.6-17000113.4
290R38.4Very low37.1Very low250 Ų250172.2 Ų172.294%0.94380%0.8SS**  trans-136.5115.1168.4-73.1-167.5169.5-169.7-4.6112.9
291R44.1Very low37.2Very low242 Ų242179 Ų17991%0.91381%0.81SS**  trans-54.9139.9159-78.8173.7155.2-170.3-6.8110.4
292R35.3Very low36.8Very low216 Ų216179.5 Ų179.582%0.81581%0.812SS**  trans163.2151.4150.6-95.1164.5-170.8-119.25.2108.7
293R35.6Very low36.8Very low193 Ų193180.5 Ų180.573%0.72882%0.819SS**  cis-168160.9-24.2-136.4-177.1179.5103.6-6.9107.5
294S33.8Very low36.5Very low103 Ų103181.5 Ų181.572%0.7282%0.823SS**  trans43.2105.9153.356.80000119.9
295H38.7Very low36.4Very low192 Ų192175.1 Ų175.189%0.88982%0.815SS**  trans-87.9124.8152.3163.5-79.7000109.4
296S37Very low36.3Very low78 Ų78170.7 Ų170.755%0.54582%0.815SS.*  trans-160.3140.2168.475.50000114.3
297R37.2Very low36.3Very low224 Ų224171.7 Ų171.785%0.84582%0.822SS**  trans81.9138.3159.1-60.6169.7-176167.40.7115.7
298E35.8Very low36.4Very low132 Ų132171.5 Ų171.562%0.61782%0.821SS**  cis-157.2168.36.1-132.3-168.3135.100115.1
299R35.8Very low36.2Very low212 Ų212172.3 Ų172.380%0.882%0.822SS**  trans62.7108.4154.3-67.5170.3-162.9168.719.9120.9
300G33.6Very low35.5Very low82 Ų82177.9 Ų177.985%0.84583%0.827SS**  trans-158.6120.515000000110.3
301R36.2Very low35.5Very low246 Ų246171.1 Ų171.193%0.92881%0.81SS**  trans-114.2163.2-177.1-76.1-173174.8-167.9-0.1111.6
302R29.8Very low35.1Very low250 Ų250168 Ų16894%0.94380%0.803SS**  trans76.6141.5-177.8-64.2174.4163.4148.8-6.5113.4
303S36.8Very low35Very low110 Ų110167.4 Ų167.477%0.76981%0.806SS**  cis-152.7146.2-0.940.60000112.4
304R31.8Very low35.1Very low252 Ų252166.4 Ų166.495%0.95181%0.807SS**  trans-135.8138.1163.7-87.4-177.3170156.1-3.2108.9
305S33.1Very low35.3Very low110 Ų110170.8 Ų170.877%0.76982%0.816SS**  trans-165.792.4-176550000113.5
306T34.4Very low35.6Very low145 Ų145167.5 Ų167.589%0.8981%0.805SS**  trans-156.678159.647.60000111
307S34.3Very low35.9Very low119 Ų119173.8 Ų173.883%0.83282%0.822SS**  trans-157.6123.6163.951.20000111.7
308K34.6Very low36.1Very low210 Ų210170.1 Ų170.191%0.91382%0.815SS**  trans-153.9142.4161.2-80.8-155.9174.7-172.60109.3
309T32.9Very low36.4Very low132 Ų132171.7 Ų171.781%0.8182%0.82SS**  trans-142.8130.6-175.9320000110.6
310R36.3Very low36.5Very low237 Ų237170.9 Ų170.989%0.89482%0.822SS**  trans63.1164.1164.2-63.5-175.7175.4163.6-1.3115.2
311D37.7Very low36.6Very low109 Ų109178.2 Ų178.258%0.58382%0.824SS**  cis-150.41686.9-145.1-9.9000113.9
312K36.7Very low36.7Very low177 Ų177171.6 Ų171.677%0.7782%0.815SS**  trans49.2119.6155.4-69.1149.7-172.6159.20121.2
313K33.7Very low37.2Very low202 Ų202169.7 Ų169.788%0.87881%0.814SS**  -171.9112.292.3-169.6172.8-179.9-176.90113.8
314K37.1Very low37.7Very low172 Ų172170.7 Ų170.775%0.74882%0.816SS**  trans-10.7131154.7179.6-177.2-178.7-177.10119D316K314-D316 WeakPolarHBondContact CE-OD2 3.49Å
315E38.4Very low38.5Very low195 Ų195164.4 Ų164.491%0.91181%0.807SS**  -151.3157127.6-153.5165.5-120.700111.3
316D44.7Very low39.2Very low123 Ų123165.2 Ų165.266%0.65881%0.81SS**  trans-99.2135.9-165.8-69-86000113.8K314K314-D316 WeakPolarHBondContact CE-OD2 3.49Å
317K42.6Very low39.4Very low210 Ų210167.7 Ų167.791%0.91381%0.809SS**  trans-159.9130.3142-120.7158-170.1161.70115.2
318E41.2Very low39.6Very low147 Ų147167.2 Ų167.269%0.68781%0.805SS**  trans-65146.5168-31.3160.9106.500111
319K42.5Very low39.7Very low165 Ų165167.4 Ų167.472%0.71780%0.802SS**  167.5122.3108.4-97.1132.7177.4140.30114.1
320K38.9Very low40.1Very low196 Ų196165 Ų16585%0.85279%0.79SS**  trans31.9115.3136.6-63.1-178.2179.7177.80119.9
321R34.4Very low40.3Very low235 Ų235159.5 Ų159.589%0.88778%0.783SS**  76.8146.4121.2-156.3176.4-166.4177.25118.8
322S39.7Very low40.3Very low107 Ų107159 Ų15975%0.74879%0.794SS**  trans61.4117.316854.60000118.9
323K40.6Very low40.2Very low210 Ų210161.8 Ų161.891%0.91380%0.8SS**  trans-148.2110.8144.9-111.3154.3-174.4167.20109.3
324T46.3Very low40.1Very low131 Ų131164 Ų16480%0.80480%0.803SS**PPolyproline II helixtrans-75141.417336.30000110.3
325P47.9Very low40.1Very low120 Ų120161 Ų16178%0.77980%0.804SS**PPolyproline II helixtrans-63.5146.1158.4-19.933.7000110.4
326P49.5Very low40Very low127 Ų127163.7 Ų163.783%0.82581%0.805SS**PPolyproline II helixtrans-82.2162.8-164.631.5-36.6000115.5
327K38.2Very low39.6Very low198 Ų198163.5 Ų163.586%0.86181%0.814SS**PPolyproline II helixtrans-65.6144.4176.1-174173.6179.3177.50112
328S37.3Very low39.2Very low108 Ų108158.7 Ų158.776%0.75581%0.813SS**  trans-26130.1175570000117.8
329Y37.1Very low38.7Very low214 Ų214156.6 Ų156.684%0.83982%0.815SS**  trans-123.1154.8148.3-167.4-102000109.8
330S40.7Very low38.6Very low81 Ų81160.2 Ų160.257%0.56682%0.824SS**  trans-100.1166.9-172.5640000112.5
331T41.2Very low38.4Very low122 Ų122157.5 Ų157.575%0.74881%0.814SS**  -176126.4129.320.60000110.8
332A36.9Very low38.3Very low99 Ų99155.5 Ų155.582%0.81881%0.807SS**  trans-83.4120.3166.200000109.4
333R34.5Very low38.1Very low235 Ų235158.9 Ų158.989%0.88780%0.803SS**  trans-167.369.9167.3-111.3160.4-154.8-105.65.4115.5
334R31.6Very low38.1Very low250 Ų250159.8 Ų159.894%0.94380%0.801SS**  trans-165.5104.6134.4-116.3175.6177.7117.8-2.2113.1
335S38Very low37.6Very low109 Ų109165.4 Ų165.476%0.76281%0.807SS**  trans-89.2143.3155.649.80000109.5
336R36.9Very low36.9Very low250 Ų250171.7 Ų171.794%0.94382%0.815SS**  trans-167.2145.9143.4-106.7160.7-165.3179.24.2109.8
337S35Very low36.2Very low120 Ų120171.1 Ų171.184%0.83981%0.814SS**  trans-108.5150.7-165.143.30000112.4
338A33.9Very low36.1Very low109 Ų109173.3 Ų173.390%0.90182%0.817SS**  trans-123.8132.9155.400000107.5
339S32.6Very low36.1Very low103 Ų103174.2 Ų174.272%0.7282%0.823SS**  trans-108.9142.1-169.7179.60000112.4
340R38.8Very low36.1Very low240 Ų240167.7 Ų167.791%0.90682%0.821SS**  trans159.483.6150.3-86.9152.4-170.6-1693107.9
341E34.6Very low35.8Very low140 Ų140170.4 Ų170.465%0.65483%0.834SS**  41.3106.985.9164.7144.6-155.500113.6
342R34.2Very low35.6Very low192 Ų192176.2 Ų176.273%0.72584%0.843SS**  -172.2123.8103.6-93.5177-171.7169.74.5113.5
343R35Very low35.6Very low178 Ų178176.6 Ų176.667%0.67284%0.84SS**  trans58.1126.1132.7-62.7167.6-169.2-165.9-2117.6
344R40.3Very low36.1Very low230 Ų230171.7 Ų171.787%0.86884%0.838SS**  cis-152.4145.516.4-100.6152.5177.2172.5-2.3111.1
345R35.7Very low36.5Very low249 Ų249169.8 Ų169.894%0.9484%0.836SS**  trans-73.9144.6163.8-59.5174.8176.3177.2-3.1110.3
346R33.1Very low36.7Very low252 Ų252174.2 Ų174.295%0.95184%0.842SS**  trans-160.869.3140.7-155.9169.5-171.9149.72.6114.3
347S35.3Very low37.2Very low114 Ų114168.3 Ų168.380%0.79784%0.836SS**  trans-96.7129149.450.40000108.8
348R35.2Very low37.3Very low244 Ų244174.6 Ų174.692%0.92184%0.842SS**  trans-171.4117.8159.9-113.6171.7-176.4176.4-0.9109.2
349S37Very low37.5Very low127 Ų127174.7 Ų174.789%0.88884%0.835SS**  trans-63.2151.7163.436.90000110.2
350G37.3Very low38.3Very low77 Ų77175 Ų17579%0.79484%0.835SS**  trans-163.5122.3177.600000109.9
351T34.9Very low38.3Very low138 Ų138173.4 Ų173.485%0.84784%0.835SS**  trans-84.3135.8-174.444.50000111.9
352R36Very low38.7Very low245 Ų245178.2 Ų178.293%0.92585%0.847SS**  trans-179.2157.4139.3-101.5158.7176176.3-1.9112.5
353S38.5Very low39Very low107 Ų107178.8 Ų178.875%0.74886%0.855SS**PPolyproline II helixtrans-74.9155-163.5-37.70000115
354P45.1Very low39.1Very low131 Ų131179 Ų17985%0.85187%0.868SS**PPolyproline II helixtrans-69.1150.517230.4-35.6000112.1
355K40Very low39.1Very low210 Ų210173 Ų17391%0.91386%0.861SS**PPolyproline II helixtrans-103.4151.8173.2-76.3-169.6174.3-175.30112
356K41Very low39.1Very low202 Ų202172.3 Ų172.388%0.87886%0.859SS**PPolyproline II helixtrans-62.9155.1-171.3-69.5-176.5177.4-1770114
357P48.8Very low39.3Very low127 Ų127166 Ų16683%0.82585%0.853SS**PPolyproline II helixtrans-75.2159.8-179.832.3-37.5000113.5
358R35.3Very low39.6Very low252 Ų252166.1 Ų166.195%0.95185%0.851SS**  trans-145.8108.6165.1-116.9-178.9178.6177.6-0.5111.1
359S39.1Very low39.6Very low110 Ų110160 Ų16077%0.76985%0.845SS**  trans-106.2-171.1157.167.40000107.6
360P49.8Very low40.1Very low109 Ų109159.6 Ų159.671%0.70884%0.84SS**  cis-131.5147-16.236-20.7000113.6
361K38.7Very low39.9Very low208 Ų208167.8 Ų167.890%0.90485%0.847SS**  trans-142106.3157.9-78.1-160.3176.7-179.20114.9
362R41.7Very low39.9Very low240 Ų240172.3 Ų172.391%0.90685%0.848SS**  trans33108.5140.8-66.3169.567.7152.6-1.9119.9
363K41.4Very low40.2Very low205 Ų205169.5 Ų169.589%0.89185%0.845SS**  trans14.3130.9130.2-56.3-96.6-170.4172.60118
364L37.3Very low40Very low182 Ų182171.9 Ų171.995%0.95384%0.842SS**  trans-144.8152.7135.9-144.474.3000110
365S39.3Very low39.7Very low104 Ų104175.7 Ų175.773%0.72785%0.846SS**  trans-140113.6-17155.20000112.8
366R36.8Very low39.5Very low235 Ų235172.7 Ų172.789%0.88784%0.835SS**  trans-161.3130.8159.8-139.474.4178.6-163.5-0.3111.5
367S36.2Very low39.6Very low118 Ų118172.9 Ų172.983%0.82584%0.835SS**  trans-105.9136.5153.6-57.30000107.4
368P43.1Very low39.1Very low117 Ų117175.1 Ų175.176%0.7683%0.832SS**  trans-141.1130139.632.6-16.8000113.6
369S33.9Very low39.2Very low115 Ų115172.7 Ų172.780%0.80483%0.829SS**  trans-84.7-177.7158.9-59.60000109.7
370P47.3Very low39.3Very low119 Ų119172.8 Ų172.877%0.77382%0.821SS**  cis-128.9160-48.533.9-19.8000112.3
371R34.3Very low39.1Very low250 Ų250177.2 Ų177.294%0.94383%0.829SS**  trans-156.7100.4165.6-119.4171-173.1-162.50.7118
372R35.2Very low39Very low232 Ų232174.1 Ų174.188%0.87582%0.822SS**  25.3117.2128.3-164.1-171-153.6-160.49.1120.6
373H41.2Very low38.9Very low186 Ų186172.7 Ų172.786%0.86182%0.822SS**  trans-148.2113.6142-96.5-94.1000106.9
374K34Very low38.5Very low158 Ų158171 Ų17169%0.68782%0.818SS**  66.394.670.9-163.1-179.8-174.6178.50114.4E376K374-E376 WeakPolarHBondContact CE-OE1 3.39Å; K374-E376 IonicContact NZ-OE1 2.9Å; K374-E376 PolarHBondContact NZ-OE1 3.34Å
375K40.3Very low38.2Very low211 Ų211174.1 Ų174.192%0.91782%0.817SS**  trans-147.1129.9145.1-164.7163.7-171.8169.90109.9
376E35Very low38Very low146 Ų146173.6 Ų173.668%0.68281%0.813SS**  trans-96149.2-179-67151.8-15100110.3K374K374-E376 WeakPolarHBondContact CE-OE1 3.39Å; K374-E376 IonicContact NZ-OE1 2.9Å; K374-E376 PolarHBondContact NZ-OE1 3.34Å
377K42.4Very low38Very low206 Ų206173.6 Ų173.690%0.89681%0.813SS**  trans-154.6106.7153.6-166.4168.4-174.3175.90110.2
378K38.3Very low38.1Very low175 Ų175173.8 Ų173.876%0.76181%0.805SS**  trans-63.3146168-74.1-169.6172.6-164.40110.5
379K38.8Very low37.6Very low200 Ų200177 Ų17787%0.8781%0.81SS**  trans-154.1111.8134-170.6168.4-175.1174.50109
380D40.4Very low37.5Very low113 Ų113181.3 Ų181.360%0.60481%0.809SS**  trans-75145.3-177.6-43.1-88.7000110.6
381K44.9Very low36.9Very low202 Ų202184.5 Ų184.588%0.87881%0.813SS**  trans-160.1119.8149.9-168156.8-171168.60111
382D36.2Very low36.7Very low143 Ų143182.6 Ų182.677%0.76581%0.806SS**  trans-76.5148.4-172.3-44.7-87.4000112.9
383K39.6Very low36.9Very low209 Ų209176.1 Ų176.191%0.90980%0.796SS**  trans-155107137.5-159.9156-169.8167.20111
384E33.6Very low36.7Very low170 Ų170173.4 Ų173.479%0.79479%0.792SS**  trans-64154.1174.6-58.8-177.512400112.5
385R31.6Very low36.7Very low248 Ų248170.4 Ų170.494%0.93679%0.792SS**  trans-15987.6139.7-113.4174-174.7-175.90.4109.7
386S35.6Very low36.5Very low93 Ų93170.2 Ų170.265%0.6579%0.791SS**  trans-64.3148.9162.344.90000110.5
387R36.1Very low36.5Very low235 Ų235173.4 Ų173.489%0.88780%0.803SS**  trans-159.479.7145.4-149.5171.9-164.8171.55.1111.5
388D37.7Very low36.6Very low121 Ų121173.3 Ų173.365%0.64780%0.802SS**  trans39.8113.4136.4-40.4-49.2000119.4
389E33.2Very low36.3Very low186 Ų186175.1 Ų175.187%0.86981%0.81SS**  32.5125.3125.7-55.6-162.4147.800120.3
390R32.3Very low36.4Very low205 Ų205170.4 Ų170.477%0.77480%0.802SS**  -153.1101.1119.8-142.2176.8-163.3-178.99.1113.3
391E34Very low36.3Very low185 Ų185174.8 Ų174.886%0.86482%0.816SS**  trans-74.7145.9153.8-68.7-153155.100110.1
392R30.5Very low36Very low211 Ų211171.7 Ų171.780%0.79681%0.809SS**  trans-157.696.8160.3-119.7178.3-174.8-168.9-0.9110.7
393S39Very low36.2Very low95 Ų95173.3 Ų173.366%0.66481%0.809SS**  trans-82.3156.5165.5540000110.6
394T36.2Very low36.1Very low129 Ų129170.5 Ų170.579%0.79180%0.799SS**  161.9128.4128.840.90000114.8
395S35.1Very low36.3Very low96 Ų96170.4 Ų170.467%0.67180%0.796SS**  trans53.4119141.565.90000124.9
396K36.6Very low36.5Very low206 Ų206164.2 Ų164.290%0.89678%0.782SS**  58.6113.6122.4-58173.5-177.7175.50120.8
397K34.7Very low36.7Very low214 Ų214172 Ų17293%0.9380%0.797SS**  -155.9145.8120.8-148.3162.5-174.4171.40112
398K43.9Very low36.7Very low204 Ų204167.1 Ų167.189%0.88778%0.784SS**  trans-95.5152.8172.5-64-177.2178.6-176.70110.5
399K33.1Very low36.7Very low213 Ų213170.9 Ų170.993%0.92679%0.789SS**  trans-149.3145.5140.8-160.5166.2-176.4178.20110.1
400S40.5Very low36.8Very low101 Ų101169.6 Ų169.671%0.70678%0.781SS**  trans-109.7164.5-172.948.20000112.3
401K37.9Very low37Very low205 Ų205165.2 Ų165.289%0.89178%0.782SS**  trans-156126.4137.8-165.3167.2-176.2179.40111.4
402D38Very low37Very low136 Ų136163 Ų16373%0.72777%0.771SS**  trans-82.5150.2171.3-70.3-87.6000112.6
403K40.6Very low37.1Very low178 Ų178158 Ų15877%0.77477%0.768SS**  -164.9122.8123.8-96.9-162.8169.9-165.50107.2
404E37.2Very low37.1Very low150 Ų150160.3 Ų160.370%0.70177%0.773SS**  60.7138.680.5-71.8-162.5113.300114.4
405K38.8Very low37.2Very low167 Ų167163.7 Ų163.773%0.72678%0.777SS**  cis-163.5163.8-19.1-175.9163.5177.6-179.30108.1
406D35.7Very low37.2Very low119 Ų119166.3 Ų166.364%0.63678%0.784SS**  trans-31.6143.1168-38-66.8000115.7
407R40.7Very low37.1Very low256 Ų256162.9 Ų162.997%0.96678%0.78SS**  -146.1128.5126.4-109.4162.3-164.5165.15.4110.2
408E35.8Very low37.2Very low133 Ų133161.7 Ų161.762%0.62177%0.774SS**  trans-96169.8-172.8-49.6-176.181.500113
409R37.4Very low36.9Very low199 Ų199160.4 Ų160.475%0.75177%0.772SS**  trans65.8107.6143.9-71.2158.5-155.1-158.515.8120.5
410K34.8Very low37.1Very low159 Ų159156.9 Ų156.969%0.69177%0.767SS**  63.1106.3106.1-165.9-164.4-172-109.10119.8E412K410-E412 IonicContact NZ-OE1 2.73Å; K410-E412 PolarHBondContact NZ-OE1 3.23Å; K410-E412 IonicContact NZ-OE2 3.73Å; K410-E412 PolarHBondContact NZ-OE2 3.41Å
411S35.6Very low37.1Very low114 Ų114158.4 Ų158.480%0.79777%0.773SS**  trans-152.1145.1130.548.90000107.8
412E35.7Very low37.2Very low139 Ų139157.6 Ų157.665%0.6576%0.764SS**  cis107.6130.812.3-163.6157-13300113.9K410K410-E412 IonicContact NZ-OE1 2.73Å; K410-E412 PolarHBondContact NZ-OE1 3.23Å; K410-E412 IonicContact NZ-OE2 3.73Å; K410-E412 PolarHBondContact NZ-OE2 3.41Å
413S31.7Very low37.1Very low104 Ų104156.1 Ų156.173%0.72776%0.756SS**  trans65.6119.417557.70000121.6
414D39.7Very low36.8Very low145 Ų145158.9 Ų158.978%0.77576%0.763SS**  trans22.2122.3136.2-51.9-88.8000122.4
415K37.3Very low37.1Very low200 Ų200157 Ų15787%0.8776%0.758SS**  -177.7162.9103.7-97.8157.4-171.7170.70114.4
416D35.2Very low37.5Very low151 Ų151156.6 Ų156.681%0.80776%0.759SS**  trans-62154179.3-49.9-107.3000114.6
417V35.8Very low37.7Very low134 Ų134159.1 Ų159.181%0.81277%0.767SS**  -166133.4127.9135.50000112
418K35.4Very low37.7Very low188 Ų188154.7 Ų154.782%0.81776%0.757SS**  trans21.9130.9158.9-60-178177.1-179.30122.3
419Q37.2Very low37.9Very low178 Ų178157 Ų15783%0.83277%0.768SS**  trans-4.5131.4136.8-60.3171.7-1300118.1
420V38.4Very low37.7Very low138 Ų138151 Ų15184%0.83677%0.768SS**  -137.7122124.3179.70000108.4R422V420-R422 HydrophobicContact CG1-CB 4.49Å
421T39.8Very low37.6Very low133 Ų133154.8 Ų154.882%0.81678%0.779SS**  trans-116.7110.6165.743.90000108.3
422R40.5Very low37.5Very low189 Ų189156 Ų15671%0.71378%0.777SS**  trans-176.3153.2175.9-109.6-174.5131.6104.99.5107.7V420V420-R422 HydrophobicContact CG1-CB 4.49Å
423D35.4Very low37.8Very low105 Ų105153.9 Ų153.956%0.56178%0.777SS**  cis-135.5154.34.6-65.3-81.1000110.9
424Y35.4Very low38.2Very low236 Ų236158.2 Ų158.293%0.92579%0.786SS**  trans-157.2121.8137.7-124.9-84.7000107.2
425D43.6Very low38.1Very low109 Ų109160.8 Ų160.858%0.58379%0.79SS**  trans-66.5145.5-169.5-67.5-32.4000112.4
426E45.9Very low38.1Very low159 Ų159159.8 Ų159.874%0.74379%0.789SS**  63.5125.376.8-122.2167.3-128.700109.8
427E40.8Very low38.1Very low173 Ų173161.9 Ų161.981%0.80879%0.791SS**  cis-144.5173.726.9-79.1173.8159.800109.5
428E40.4Very low38Very low162 Ų162163 Ų16376%0.75779%0.785SS**  cis-166.5174.9-27.2-167.9-172.2-146.100105.8
429Q40Very low37.8Very low183 Ų183160.6 Ų160.686%0.85578%0.776SS**  trans69.1114.7174.8-57.5177.679.500115.3
430G34.2Very low37.5Very low72 Ų72158.9 Ų158.974%0.74277%0.768SS**  cis112.194.32.200000112.4
431Y31.6Very low37.3Very low239 Ų239160.1 Ų160.194%0.93776%0.762SS**  trans-146.8134.8153.8-128.8-83.8000109
432D34.7Very low37.2Very low139 Ų139163.2 Ų163.274%0.74377%0.765SS**  trans-123.5173.5-166.3175.747.9000111.4
433S40.5Very low37.5Very low94 Ų94159.8 Ų159.866%0.65777%0.766SS**  trans77.8100.3161.4-73.50000117.3
434E41.4Very low37.2Very low195 Ų195162.4 Ų162.491%0.91178%0.779SS**  trans-50.3145.4143.7-54.2171.5101.900110.7
435K36.2Very low37Very low200 Ų200158.8 Ų158.887%0.8777%0.77SS**  trans-157.3122.3153.2-148.6158.3-172.1166.50115.1
436E38.1Very low36.3Very low178 Ų178159.7 Ų159.783%0.83278%0.78SS**  trans-68.4129.8156.1-63.5-176.7103.200110.6
437K35Very low35.5Very low195 Ų195155.5 Ų155.585%0.84878%0.779SS**  179.3123.2119.6-99.3167.1-177.6178.90113.6
438K32.7Very low34.9Very low158 Ų158152.6 Ų152.669%0.68778%0.779SS**  39.5134.2112.8-147.1176.6-178.7-105.30119.6
439E31.4Very low35.1Very low137 Ų137149.8 Ų149.864%0.6477%0.774SS**  trans78.5108.4151.4-87.8153.1179.100121.7
440E32Very low34.7Very low142 Ų142149.9 Ų149.966%0.66477%0.772SS**  72147.3126.7-76.8-159.7118.100124.3
441K33.5Very low34.3Very low164 Ų164152 Ų15271%0.71377%0.771SS**  trans70.9105.6149.8-73.3154.4-175.7150.70120
442K39Very low34.4Very low199 Ų199150.2 Ų150.287%0.86577%0.768SS**  trans-69157.5145.8-62.6-174177-1740110.5
443P45Very low34.1Very low116 Ų116152.6 Ų152.675%0.75377%0.774SS**  -123.4-160.795.330.1-16.4000110.5
444I31Very low33.4Very low160 Ų160154.5 Ų154.582%0.82179%0.786SS**  cis-142.8137.58.5-55.7166.5000107
445E29.5Very low32.8Very low160 Ų160150.3 Ų150.375%0.74878%0.778SS**  cis-127.4-92.6-26.1-179-152.410000108.6G447E445-G447 PolarHBondContact OE1-N 2.92Å
446T30Very low32.5Very low128 Ų128146.8 Ų146.879%0.78577%0.773SS**  cis-142.9143.6-12.537.10000110.6
447G28.3Very low32Very low71 Ų71145.4 Ų145.473%0.73277%0.767SS**  trans82.583.5156.600000117.5E445E445-G447 PolarHBondContact OE1-N 2.92Å
448S29.6Very low31.8Very low113 Ų113145.1 Ų145.179%0.7977%0.765SS**  trans-103.3166.5160.9-125.40000109.5
449P44.2Very low31.6Very low102 Ų102141 Ų14166%0.66277%0.767SS**  cis-152.1177.746.545-25.3000118.4
450K30.5Very low31.6Very low185 Ų185141.3 Ų141.380%0.80478%0.779SS**  trans69.1141.2154.8-74.4166.6-177175.70118.4
451T27Very low31.5Very low117 Ų117138.1 Ų138.172%0.71878%0.784SS**  cis176.2154.8-3127.70000107.8
452K32.2Very low31.4Very low202 Ų202137.4 Ų137.488%0.87879%0.789SS**  trans77.2126.4166.8-63.8176.8-180-176.10117.4
453E29.7Very low31.1Very low189 Ų189131.8 Ų131.888%0.88377%0.774SS**  trans-72146.6156.7-51.3166.4117.700109.9
454C24.6Very low30.5Very low133 Ų133133.5 Ų133.590%0.89978%0.776SS**  trans-166.3164.8130.9-112.60000112.5
455S29.4Very low30.8Very low107 Ų107136.9 Ų136.975%0.74878%0.778SS**  trans-90.1-173.4-174.6480000113.7
456V29.3Very low31.1Very low126 Ų126138.4 Ų138.476%0.76479%0.786SS**  trans108.3100.4157.5-174.40000118
457E28.9Very low31.7Very low149 Ų149137.8 Ų137.870%0.69679%0.786SS**  trans63.4147.7141.3-76.5-159.5174.100125.8
458K30.9Very low32.2Very low189 Ų189143.9 Ų143.982%0.82279%0.793SS**  trans71.5138.3157.7-73.4158-178.2135.50118.9
459G28.1Very low32.6Very low71 Ų71143.8 Ų143.873%0.73279%0.788SS**  cis151.4105.6-13.100000116.2
460T31.7Very low32.2Very low144 Ų144146.3 Ų146.388%0.88380%0.795SS**  trans-156.6135.3164.328.40000106.5
461G30.5Very low32.4Very low75 Ų75140.7 Ų140.777%0.77379%0.79SS**  80120.685.200000111
462D29.7Very low33.4Very low150 Ų150142.3 Ų142.380%0.80279%0.794SS**  cis-159.3162.418.2-170.8-121.2000114.6
463S33Very low34.2Very low80 Ų80139.5 Ų139.556%0.55979%0.789SS**  trans36.8135.6157.963.60000126.9
464L33.8Very low35Very low152 Ų152138.6 Ų138.680%0.79678%0.784SS**  trans56.2138.6142.3-85.659.7000119.9
465R36.9Very low36.2Very low231 Ų231140.1 Ų140.187%0.87278%0.778SS**  cis-166159.336.2-138.7174.8-165.6-173.94.4112.3
466E35Very low37Very low192 Ų192143 Ų14390%0.89778%0.779SS**  trans-102138.6170-65.6-178.894.300113.5
467S43.1Very low37.7Very low115 Ų115146.2 Ų146.280%0.80479%0.786SS**  trans-176.9123.3151.352.50000108.8
468K38.7Very low38.8Very low199 Ų199146.1 Ų146.187%0.86579%0.79SS**  cis95.8113.432.4-164-178.4-172.2176.50113.9
469V36.8Very low39.9Very low112 Ų112145.1 Ų145.168%0.67979%0.791SS**  trans86.4120.7150.5145.60000121.8
470N36.1Very low40.7Very low154 Ų154148.1 Ų148.182%0.82479%0.79SS**  trans54.1157.1140.8-54.44.1000124.9
471G35.8Very low41.9Very low68 Ų68150.1 Ų150.170%0.70179%0.792SS**  trans120.8105.6-178.100000108.5
472D47.7Very low43Very low150 Ų150151.9 Ų151.980%0.80279%0.792SS**  cis54.485.720.5-160.635.8000113.5
473D48.8Very low43.7Very low143 Ų143156.4 Ų156.477%0.76582%0.816SS**  trans-145.6102.5163.5-151.2-13.1000108.7
474H47Very low44.2Very low170 Ų170160.2 Ų160.279%0.78783%0.829SS**  trans-84.1117.6169-108.5-89.2000107.3
475H48.6Very low44.8Very low166 Ų166160.6 Ų160.677%0.76983%0.831SS**  trans-128.9132.7165.2-130-76.5000113
476E45.8Very low45.2Very low166 Ų166156.7 Ų156.778%0.77683%0.829SS**  trans-95.9132.1-178-57.8171165.300108.5
477E45.7Very low45.8Very low194 Ų194154.6 Ų154.691%0.90783%0.825SS**  trans-130.5122.2158.9-70.9-159.6154.300109.5
478D50.7Low46Very low147 Ų147157.1 Ų157.179%0.78683%0.826SS**  trans-86.7178.3-177.4-107.2-38.4000111.9
479M53.5Low46.5Very low168 Ų168154.3 Ų154.383%0.82882%0.823SS**  trans82.2142.3164.9-40.9-171.7-166.500115.6
480D45.4Very low47.2Very low135 Ų135157.4 Ų157.472%0.72283%0.834SS**  cis-144.41525.2-139.3-21.4000112
481M58.1Low48Very low185 Ų185157.6 Ų157.691%0.91183%0.834SS**  trans-128.2141.5165.7-87-157.8178.100109.2
482S53.8Low49Very low112 Ų112165.1 Ų165.178%0.78385%0.845SS**  trans-146.3145.6178.3-75.10000111.5
483D43.3Very low49.2Very low245 Ų245166.5 Ų166.5100%1.3185%0.849SS**  trans-31.80-179.4-90.1-74.3000116.8

Retrieved 483 of 483 residues in 1131.3 ms (Link to these results)