A0A075BJ63_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BJ63, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,046 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
1M30.9Very low49.4Very low235 Ų235115.5 Ų115.5100%1.15864%0.644SS**  0136.40-75.6165.3162.400107.2
2E21.7Very low51.7Low178 Ų178115.5 Ų115.583%0.83263%0.633SS**  trans-81.5155.9166.9-67.6179.3142.200109.4I4E2-I4 PolarHBondContact O-N 3.49Å
3P26.6Very low54.2Low133 Ų133116.5 Ų116.586%0.86463%0.627SS**  trans-67.8113.9176.327.6-33.5000110.4G5P3-G5 PolarHBondContact O-N 3.07Å
4I33.3Very low56Low139 Ų139112.4 Ų112.471%0.71361%0.608SS**PPolyproline II helixtrans-69.3118174.2-58173.8000108.1E2 L7E2-I4 PolarHBondContact O-N 3.49Å; I4-L7 HydrophobicContact CG2-CD1 3.86Å
5G34.3Very low57.3Low57 Ų57111.9 Ų111.959%0.58861%0.609SS**PPolyproline II helixtrans-64.3163176.400000113.1P3 L7P3-G5 PolarHBondContact O-N 3.07Å; G5-L7 PolarHBondContact O-N 3.22Å
6D42.5Very low57.8Low106 Ų106109.5 Ų109.557%0.56760%0.604SS**PPolyproline II helixtrans-52.4119.8-177.1-83.8-24.7000112.7Q8 H38 K42D6-Q8 PolarHBondContact O-N 3.39Å; D6-H38 IonicContact OD1-CE1 3.7Å; D6-H38 PolarHBondContact OD1-CE1 3.33Å; D6-H38 IonicContact OD1-NE2 3.84Å; D6-H38 PolarHBondContact OD1-NE2 2.76Å; D6-K42 IonicContact OD1-NZ 2.68Å; D6-K42 PolarHBondContact OD1-NZ 3.48Å; D6-K42 IonicContact OD2-NZ 2.94Å; D6-K42 PolarHBondContact OD2-NZ 3.34Å
7L55.5Low58Low51 Ų51108 Ų10827%0.26762%0.619SS.*  trans-70.694.9175-8781.3000109.9I4 G5 V9 D34 F35I4-L7 HydrophobicContact CG2-CD1 3.86Å; G5-L7 PolarHBondContact O-N 3.22Å; L7-V9 PolarHBondContact O-N 3.04Å; L7-D34 HydrophobicContact CD2-CB 3.99Å; L7-F35 HydrophobicContact CD2-CB 4.45Å
8Q61.2Low58.3Low189 Ų189106 Ų10688%0.88363%0.626SS**  trans-70.1111.7167.9-68.7-168.6-300110.3D6D6-Q8 PolarHBondContact O-N 3.39Å
9V76.6Confident59.1Low25 Ų25103 Ų10315%0.15261%0.609CS.*  trans-110.4135.8174.6171.60000108.8L7 S11 A24 P26 F35L7-V9 PolarHBondContact O-N 3.04Å; V9-S11 PolarHBondContact O-N 2.87Å; V9-A24 HydrophobicContact CG1-CB 4.13Å; V9-P26 HydrophobicContact CG1-CB 4.25Å; V9-P26 HydrophobicContact CG1-CG 3.95Å; V9-P26 HydrophobicContact CG2-CB 4.46Å; V9-F35 HydrophobicContact CB-CD2 4.01Å; V9-F35 HydrophobicContact CB-CE2 4.04Å; V9-F35 HydrophobicContact CB-CG 4.5Å; V9-F35 HydrophobicContact CG2-CB 4.05Å; V9-F35 HydrophobicContact CG2-CD2 3.47Å; V9-F35 VanDerWaalsContact CG2-CD2 3.47Å; V9-F35 HydrophobicContact CG2-CE2 4.03Å; V9-F35 HydrophobicContact CG2-CG 3.8Å
10P79.8Confident59.9Low79 Ų79100.8 Ų100.851%0.51360%0.597SS.*  trans-54.5125.9172.5-25.134.7000110.9A24 S25P10-A24 WeakPolarHBondContact O-CA 3.44Å; P10-S25 PolarHBondContact O-N 3.26Å
11S81.5Confident61Low79 Ų7996.6 Ų96.655%0.55257%0.571SS**EExtended strand (participates in β ladder)trans-147.1149.3-179.356.90000112.8V9 Y23V9-S11 PolarHBondContact O-N 2.87Å; S11-Y23 CarbonylContact C-O 3.55Å; S11-Y23 WeakPolarHBondContact CA-O 3.45Å; S11-Y23 WeakPolarHBondContact CB-O 3.35Å
12F76.8Confident63.7Low115 Ų11586.1 Ų86.150%0.50452%0.52SS..EExtended strand (participates in β ladder)trans-137.4157.1175.663.6-85.2000110V14 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.64Å; F12-Y23 HydrophobicContact CD2-CD2 4.33Å; F12-Y23 HydrophobicContact CE1-CG 4.25Å; F12-Y23 AromaticContact CE2-CD2 3.74Å; F12-Y23 HydrophobicContact CE2-CD2 3.74Å; F12-Y23 AromaticContact CE2-CG 3.87Å; F12-Y23 HydrophobicContact CE2-CG 3.87Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.28Å; F12-Y23 HydrophobicContact CZ-CD2 4.05Å; F12-Y23 AromaticContact CZ-CG 3.68Å; F12-Y23 HydrophobicContact CZ-CG 3.68Å; F12-Y23 PolarHBondContact N-O 2.87Å; F12-Y23 PolarHBondContact O-N 2.83Å
13K83.6Confident66.6Low128 Ų12880 Ų8056%0.55749%0.489SS*.EExtended strand (participates in β ladder)trans-113.9137.4178-60.4-152.2179.8-152.20111.4T20 F21 T22 E144K13-T20 HydrophobicContact CB-CG2 4.28Å; K13-T20 HydrophobicContact CD-CG2 3.89Å; K13-F21 CarbonylContact C-O 3.54Å; K13-F21 VanDerWaalsContact CA-O 3.28Å; K13-F21 WeakPolarHBondContact CA-O 3.44Å; K13-T22 WeakPolarHBondContact CD-OG1 3.44Å; K13-T22 WeakPolarHBondContact CE-OG1 3.37Å; K13-T22 HydrophobicContact CG-CG2 4.19Å; K13-T22 PolarHBondContact NZ-OG1 2.91Å; K13-E144 IonicContact NZ-OE1 2.74Å; K13-E144 PolarHBondContact NZ-OE1 3Å
14V79.9Confident69.4Low60 Ų6073.7 Ų73.736%0.36445%0.449SS..EExtended strand (participates in β ladder)trans-125.4133.6176.1-176.70000108.3F12 F21 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.64Å; V14-F21 PolarHBondContact N-O 3.16Å; V14-F21 PolarHBondContact O-N 3.43Å; V14-Y23 HydrophobicContact CB-CE2 4.15Å; V14-Y23 HydrophobicContact CG2-CD2 4.05Å; V14-Y23 HydrophobicContact CG2-CE2 3.99Å
15V74.6Confident71.8Confident104 Ų10469 Ų6963%0.6343%0.429SS*.EExtended strand (participates in β ladder)trans-102122.6173-1770000108.5T19V15-T19 WeakPolarHBondContact CA-O 3.36Å
16S65.2Low74.1Confident74 Ų7466.4 Ų66.452%0.51740%0.401SS..EExtended strand (participates in β ladder)trans-140.9134.4177.5-173.70000110.2G18 T19S16-G18 PolarHBondContact O-N 2.96Å; S16-G18 VanDerWaalsContact O-N 3.11Å; S16-T19 PolarHBondContact N-O 2.65Å; S16-T19 PolarHBondContact O-N 3.09Å
17G61.6Low75.7Confident84 Ų8469.5 Ų69.587%0.86641%0.41SS*.THydrogen-bonded Turntrans57.125-177.600000114.8T19G17-T19 VanDerWaalsContact C-N 3.26Å; G17-T19 PolarHBondContact O-N 3.24Å
18G64.5Low76.8Confident72 Ų7269.6 Ų69.674%0.74242%0.415SS*.THydrogen-bonded Turntrans79.3-2.9-17300000115.3S16S16-G18 PolarHBondContact O-N 2.96Å; S16-G18 VanDerWaalsContact O-N 3.11Å
19T72.1Confident77.5Confident49 Ų4963.1 Ų63.130%0.30140%0.398SS..EExtended strand (participates in β ladder)trans-97.6139.4176.5-56.50000110.4V15 S16 G17 F21 M145V15-T19 WeakPolarHBondContact CA-O 3.36Å; S16-T19 PolarHBondContact N-O 2.65Å; S16-T19 PolarHBondContact O-N 3.09Å; G17-T19 VanDerWaalsContact C-N 3.26Å; G17-T19 PolarHBondContact O-N 3.24Å; T19-F21 HydrophobicContact CG2-CD2 4.45Å; T19-F21 HydrophobicContact CG2-CE2 3.92Å; T19-F21 HydrophobicContact CG2-CZ 4.11Å; T19-M145 HydrophobicContact CG2-CB 4.44Å; T19-M145 HydrophobicContact CG2-CE 4.19Å; T19-M145 HydrophobicContact CG2-CG 3.45Å; T19-M145 VanDerWaalsContact CG2-CG 3.45Å
20T76.6Confident77.6Confident59 Ų5964.4 Ų64.436%0.36241%0.411SS..EExtended strand (participates in β ladder)trans-95.8119.1176-57.40000110.5K13 M145K13-T20 HydrophobicContact CB-CG2 4.28Å; K13-T20 HydrophobicContact CD-CG2 3.89Å; T20-M145 PolarHBondContact O-N 3.17Å
21F82.9Confident77.6Confident12 Ų1261.8 Ų61.85%0.05340%0.396CS..EExtended strand (participates in β ladder)trans-100.3119.5173.4-65.3-93.9000109.9K13 V14 T19 Y23 F129 L133 M145 V147K13-F21 CarbonylContact C-O 3.54Å; K13-F21 VanDerWaalsContact CA-O 3.28Å; K13-F21 WeakPolarHBondContact CA-O 3.44Å; V14-F21 PolarHBondContact N-O 3.16Å; V14-F21 PolarHBondContact O-N 3.43Å; T19-F21 HydrophobicContact CG2-CD2 4.45Å; T19-F21 HydrophobicContact CG2-CE2 3.92Å; T19-F21 HydrophobicContact CG2-CZ 4.11Å; F21-Y23 HydrophobicContact CB-CD2 4.14Å; F21-Y23 HydrophobicContact CB-CE2 3.56Å; F21-Y23 HydrophobicContact CG-CE2 4.42Å; F21-F129 HydrophobicContact CE1-CZ 4.34Å; F21-L133 HydrophobicContact CE1-CD1 4.49Å; F21-L133 HydrophobicContact CE1-CD2 3.77Å; F21-L133 HydrophobicContact CZ-CD1 4.01Å; F21-L133 HydrophobicContact CZ-CD2 3.68Å; F21-M145 CarbonylContact C-O 3.43Å; F21-M145 WeakPolarHBondContact CA-O 3.38Å; F21-M145 HydrophobicContact CD1-CB 3.36Å; F21-M145 HydrophobicContact CD1-CG 3.94Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.62Å; F21-M145 HydrophobicContact CE1-SD 4.4Å; F21-M145 HydrophobicContact CG-CB 3.99Å; F21-M145 HydrophobicContact CZ-CB 4.39Å; F21-M145 HydrophobicContact CZ-CG 4.05Å; F21-V147 HydrophobicContact CD1-CG2 4.16Å
22T86.7Confident77.7Confident15 Ų1558.7 Ų58.79%0.09238%0.375CS..EExtended strand (participates in β ladder)trans-91115165.6-51.50000107.9K13 E144 M145 L146 V147K13-T22 WeakPolarHBondContact CD-OG1 3.44Å; K13-T22 WeakPolarHBondContact CE-OG1 3.37Å; K13-T22 HydrophobicContact CG-CG2 4.19Å; K13-T22 PolarHBondContact NZ-OG1 2.91Å; T22-E144 PolarHBondContact OG1-OE1 3.14Å; T22-M145 PolarHBondContact N-O 2.84Å; T22-L146 HydrophobicContact CG2-CD1 4.15Å; T22-L146 CarbonylContact O-C 3.54Å; T22-L146 WeakPolarHBondContact O-CA 3.5Å; T22-V147 PolarHBondContact O-N 3.41Å
23Y83.3Confident78.3Confident49 Ų4954.4 Ų54.419%0.19236%0.357CS..EExtended strand (participates in β ladder)trans-91.1131.7170.3-70.7-97.6000108.6S11 F12 V14 F21 V147 T149S11-Y23 CarbonylContact C-O 3.55Å; S11-Y23 WeakPolarHBondContact CA-O 3.45Å; S11-Y23 WeakPolarHBondContact CB-O 3.35Å; F12-Y23 HydrophobicContact CD2-CD2 4.33Å; F12-Y23 HydrophobicContact CE1-CG 4.25Å; F12-Y23 AromaticContact CE2-CD2 3.74Å; F12-Y23 HydrophobicContact CE2-CD2 3.74Å; F12-Y23 AromaticContact CE2-CG 3.87Å; F12-Y23 HydrophobicContact CE2-CG 3.87Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.28Å; F12-Y23 HydrophobicContact CZ-CD2 4.05Å; F12-Y23 AromaticContact CZ-CG 3.68Å; F12-Y23 HydrophobicContact CZ-CG 3.68Å; F12-Y23 PolarHBondContact N-O 2.87Å; F12-Y23 PolarHBondContact O-N 2.83Å; V14-Y23 HydrophobicContact CB-CE2 4.15Å; V14-Y23 HydrophobicContact CG2-CD2 4.05Å; V14-Y23 HydrophobicContact CG2-CE2 3.99Å; F21-Y23 HydrophobicContact CB-CD2 4.14Å; F21-Y23 HydrophobicContact CB-CE2 3.56Å; F21-Y23 HydrophobicContact CG-CE2 4.42Å; Y23-V147 WeakPolarHBondContact CA-O 3.38Å; Y23-V147 HydrophobicContact CD1-CB 3.64Å; Y23-V147 HydrophobicContact CD1-CG1 3.61Å; Y23-V147 HydrophobicContact CD1-CG2 4.23Å; Y23-V147 HydrophobicContact CE1-CB 3.78Å; Y23-V147 HydrophobicContact CE1-CG1 3.63Å; Y23-V147 HydrophobicContact CE1-CG2 3.89Å; Y23-V147 HydrophobicContact CG-CB 4.2Å; Y23-T149 HydrophobicContact CD1-CG2 4.21Å
24A85.1Confident78.3Confident1 Ų151.5 Ų51.51%0.00835%0.347CS..EExtended strand (participates in β ladder)trans-126.3133.7175.900000109.4V9 P10 P26 F35 L146 V147 T149V9-A24 HydrophobicContact CG1-CB 4.13Å; P10-A24 WeakPolarHBondContact O-CA 3.44Å; A24-P26 WeakPolarHBondContact O-CD 3.49Å; A24-F35 HydrophobicContact CB-CE1 3.85Å; A24-F35 HydrophobicContact CB-CZ 4.04Å; A24-L146 HydrophobicContact CB-CD1 4.14Å; A24-V147 PolarHBondContact N-O 2.66Å; A24-T149 PolarHBondContact O-N 3.1Å; A24-T149 PolarHBondContact O-OG1 2.98Å; A24-T149 VanDerWaalsContact O-OG1 3.11Å
25S83.4Confident78.6Confident42 Ų4250 Ų5029%0.29434%0.336SS..  trans-120.382-174.1-53.40000111.4P10 T149P10-S25 PolarHBondContact O-N 3.26Å; S25-T149 WeakPolarHBondContact CA-OG1 3.47Å; S25-T149 PolarHBondContact OG-OG1 3.45Å
26P82.9Confident79.2Confident1 Ų145.2 Ų45.21%0.00631%0.307CS..  trans-71141.6178-13.229.4000111.4V9 A24 S28 A31 S32 F35 I148 T149 C151V9-P26 HydrophobicContact CG1-CB 4.25Å; V9-P26 HydrophobicContact CG1-CG 3.95Å; V9-P26 HydrophobicContact CG2-CB 4.46Å; A24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-S28 PolarHBondContact O-N 3.47Å; P26-A31 HydrophobicContact CB-CB 4.11Å; P26-S32 WeakPolarHBondContact CB-OG 3.49Å; P26-S32 WeakPolarHBondContact CG-OG 3.27Å; P26-F35 HydrophobicContact CG-CD1 4.38Å; P26-I148 HydrophobicContact CG-CG2 4.05Å; P26-T149 WeakPolarHBondContact CD-O 3.44Å; P26-C151 WeakPolarHBondContact O-CB 3.43Å
27K75.6Confident80.3Confident172 Ų17241.7 Ų41.775%0.74828%0.283SS*.SBendtrans-67.4-4.1-170.8-59.8-175.1179.3-1770116.1
28S78.1Confident81.4Confident53 Ų5339.4 Ų39.437%0.37125%0.249SC..SBendtrans-167.6160.7175.770.80000110.2P26 A30 A31 S32P26-S28 PolarHBondContact O-N 3.47Å; S28-A30 PolarHBondContact O-N 2.89Å; S28-A31 CarbonylContact O-C 3.56Å; S28-A31 WeakPolarHBondContact O-CB 2.89Å; S28-A31 PolarHBondContact O-N 2.98Å; S28-A31 PolarHBondContact OG-N 3.49Å; S28-S32 PolarHBondContact O-N 3.16Å; S28-S32 PolarHBondContact O-OG 2.13Å
29G77.4Confident82.3Confident52 Ų5236.7 Ų36.754%0.53622%0.219SC..Hα-helixtrans-58.5-29.1176.100000114.3L33G29-L33 WeakPolarHBondContact O-CG 3.37Å; G29-L33 PolarHBondContact O-N 2.74Å
30A78.5Confident83Confident52 Ų5235.3 Ų35.343%0.4321%0.209SC..Hα-helixtrans-68.7-48.1171.900000111.1S28 S32 L33 D34S28-A30 PolarHBondContact O-N 2.89Å; A30-S32 PolarHBondContact O-N 3.43Å; A30-L33 PolarHBondContact O-N 3.48Å; A30-L33 VanDerWaalsContact O-N 3.08Å; A30-D34 PolarHBondContact O-N 3.19Å
31A80Confident83.2Confident24 Ų2439 Ų3920%0.19822%0.216CC..Hα-helixtrans-61-31.9175.700000112.3P26 S28 F35P26-A31 HydrophobicContact CB-CB 4.11Å; S28-A31 CarbonylContact O-C 3.56Å; S28-A31 WeakPolarHBondContact O-CB 2.89Å; S28-A31 PolarHBondContact O-N 2.98Å; S28-A31 PolarHBondContact OG-N 3.49Å; A31-F35 WeakPolarHBondContact O-CB 3.5Å; A31-F35 PolarHBondContact O-N 3.01Å
32S83.8Confident82.8Confident14 Ų1444.4 Ų44.410%0.09824%0.24CC..Hα-helixtrans-63.1-43.3172.7-58.30000112.6P26 S28 A30 L36P26-S32 WeakPolarHBondContact CB-OG 3.49Å; P26-S32 WeakPolarHBondContact CG-OG 3.27Å; S28-S32 PolarHBondContact O-N 3.16Å; S28-S32 PolarHBondContact O-OG 2.13Å; A30-S32 PolarHBondContact O-N 3.43Å; S32-L36 WeakPolarHBondContact O-CB 3.49Å; S32-L36 PolarHBondContact O-N 3.28Å
33L87.9Confident81.8Confident25 Ų2546.8 Ų46.813%0.13125%0.247CC..Hα-helixtrans-72.7-34.8178.6-68164.5000112G29 A30 A37 L63 E66 R70G29-L33 WeakPolarHBondContact O-CG 3.37Å; G29-L33 PolarHBondContact O-N 2.74Å; A30-L33 PolarHBondContact O-N 3.48Å; A30-L33 VanDerWaalsContact O-N 3.08Å; L33-A37 VanDerWaalsContact O-CB 3.3Å; L33-A37 WeakPolarHBondContact O-CB 3.05Å; L33-A37 PolarHBondContact O-N 2.94Å; L33-L63 HydrophobicContact CD2-CD1 3.7Å; L33-E66 HydrophobicContact CD1-CB 3.99Å; L33-E66 HydrophobicContact CD1-CG 4.01Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.46Å; L33-E66 HydrophobicContact CD2-CB 3.88Å; L33-E66 HydrophobicContact CD2-CG 4.49Å; L33-R70 VanDerWaalsContact CB-CZ 3.48Å
34D84.2Confident80.4Confident67 Ų6751.1 Ų51.136%0.35827%0.269SS..Hα-helixtrans-71.1-41.7176.5-60.1-20.5000111.3L7 A30 A37 H38 R70L7-D34 HydrophobicContact CD2-CB 3.99Å; A30-D34 PolarHBondContact O-N 3.19Å; D34-A37 PolarHBondContact O-N 2.8Å; D34-H38 WeakPolarHBondContact O-CB 3.13Å; D34-H38 PolarHBondContact O-N 2.92Å; D34-R70 IonicContact OD1-CZ 3.69Å; D34-R70 IonicContact OD1-NE 3.52Å; D34-R70 PolarHBondContact OD1-NE 2.8Å; D34-R70 IonicContact OD1-NH2 2.71Å; D34-R70 PolarHBondContact OD1-NH2 3.07Å
35F86.1Confident78.9Confident29 Ų2954.3 Ų54.313%0.12730%0.295CS..Hα-helixtrans-62.5-43.6171.3172.1-106.7000111.9L7 V9 A24 P26 A31 H38 T39 L146 I148L7-F35 HydrophobicContact CD2-CB 4.45Å; V9-F35 HydrophobicContact CB-CD2 4.01Å; V9-F35 HydrophobicContact CB-CE2 4.04Å; V9-F35 HydrophobicContact CB-CG 4.5Å; V9-F35 HydrophobicContact CG2-CB 4.05Å; V9-F35 HydrophobicContact CG2-CD2 3.47Å; V9-F35 VanDerWaalsContact CG2-CD2 3.47Å; V9-F35 HydrophobicContact CG2-CE2 4.03Å; V9-F35 HydrophobicContact CG2-CG 3.8Å; A24-F35 HydrophobicContact CB-CE1 3.85Å; A24-F35 HydrophobicContact CB-CZ 4.04Å; P26-F35 HydrophobicContact CG-CD1 4.38Å; A31-F35 WeakPolarHBondContact O-CB 3.5Å; A31-F35 PolarHBondContact O-N 3.01Å; F35-H38 PolarHBondContact O-N 3.3Å; F35-T39 WeakPolarHBondContact O-CB 3.33Å; F35-T39 PolarHBondContact O-N 3.02Å; F35-T39 PolarHBondContact O-OG1 2.73Å; F35-L146 HydrophobicContact CE1-CD2 4.39Å; F35-I148 HydrophobicContact CD1-CD1 4.19Å; F35-I148 HydrophobicContact CE1-CD1 4.41Å; F35-I148 HydrophobicContact CE1-CG1 4.47Å
36L88.1Confident77.4Confident3 Ų358.4 Ų58.42%0.01631%0.314CS..Hα-helixtrans-63.5-45.3177-176.162.2000111.4S32 T39 L40 L52 L63 L67 I119 T121 I148S32-L36 WeakPolarHBondContact O-CB 3.49Å; S32-L36 PolarHBondContact O-N 3.28Å; L36-T39 PolarHBondContact O-N 2.95Å; L36-L40 HydrophobicContact CD1-CD1 4.22Å; L36-L40 HydrophobicContact CD1-CG 4.45Å; L36-L40 HydrophobicContact CG-CD1 4.05Å; L36-L40 WeakPolarHBondContact O-CB 3.14Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.31Å; L36-L40 PolarHBondContact O-N 2.93Å; L36-L52 HydrophobicContact CD1-CD2 3.77Å; L36-L52 HydrophobicContact CD2-CD2 4.05Å; L36-L52 HydrophobicContact CG-CD2 4.3Å; L36-L63 HydrophobicContact CD2-CD1 3.72Å; L36-L67 HydrophobicContact CD2-CD1 4.18Å; L36-L67 HydrophobicContact CD2-CD2 4.15Å; L36-L67 HydrophobicContact CG-CD2 4.14Å; L36-I119 HydrophobicContact CD1-CD1 3.61Å; L36-I119 HydrophobicContact CD1-CG2 3.91Å; L36-T121 HydrophobicContact CD2-CG2 4.03Å; L36-I148 HydrophobicContact CB-CD1 4.19Å; L36-I148 HydrophobicContact CD1-CD1 3.93Å
37A87.1Confident76.2Confident1 Ų162.6 Ų62.61%0.00834%0.34CS..Hα-helixtrans-63-41.6175.500000111.8L33 D34 L40 R41 L67 R70 V72L33-A37 VanDerWaalsContact O-CB 3.3Å; L33-A37 WeakPolarHBondContact O-CB 3.05Å; L33-A37 PolarHBondContact O-N 2.94Å; D34-A37 PolarHBondContact O-N 2.8Å; A37-L40 PolarHBondContact O-N 3.26Å; A37-R41 VanDerWaalsContact O-CG 3.3Å; A37-R41 WeakPolarHBondContact O-CG 3.29Å; A37-R41 PolarHBondContact O-N 3.41Å; A37-L67 HydrophobicContact CB-CD2 4.11Å; A37-R70 HydrophobicContact CB-CB 3.83Å; A37-R70 HydrophobicContact CB-CG 4.46Å; A37-V72 HydrophobicContact CB-CG2 3.91Å
38H84.8Confident76Confident35 Ų3557.6 Ų57.616%0.16232%0.319CS..Hα-helixtrans-60.6-46.3173177.792.9000111.8D6 D34 F35 L40 R41 K42D6-H38 IonicContact OD1-CE1 3.7Å; D6-H38 PolarHBondContact OD1-CE1 3.33Å; D6-H38 IonicContact OD1-NE2 3.84Å; D6-H38 PolarHBondContact OD1-NE2 2.76Å; D34-H38 WeakPolarHBondContact O-CB 3.13Å; D34-H38 PolarHBondContact O-N 2.92Å; F35-H38 PolarHBondContact O-N 3.3Å; H38-L40 VanDerWaalsContact C-N 3.34Å; H38-L40 PolarHBondContact O-N 3.1Å; H38-R41 PolarHBondContact O-N 2.84Å; H38-K42 WeakPolarHBondContact NE2-CD 3.26Å; H38-K42 VanDerWaalsContact O-CB 3.27Å; H38-K42 WeakPolarHBondContact O-CB 3.34Å; H38-K42 PolarHBondContact O-N 3.39Å
39T84.6Confident76.2Confident16 Ų1657 Ų5710%0.09831%0.31CS..Hα-helixtrans-58.2-44.6177.3-58.10000112F35 L36 R41 K42 R43 L146F35-T39 WeakPolarHBondContact O-CB 3.33Å; F35-T39 PolarHBondContact O-N 3.02Å; F35-T39 PolarHBondContact O-OG1 2.73Å; L36-T39 PolarHBondContact O-N 2.95Å; T39-R41 VanDerWaalsContact C-N 3.34Å; T39-R41 PolarHBondContact O-N 3.32Å; T39-K42 PolarHBondContact O-N 3.4Å; T39-R43 PolarHBondContact O-N 2.78Å; T39-L146 HydrophobicContact CG2-CD2 4.26Å
40L85.2Confident76.7Confident19 Ų1954.9 Ų54.910%0.09929%0.286CS..Hα-helixtrans-74.4-18.7179.6-66.7170.9000114L36 A37 H38 T50 L52 L67 V72 A99 I119L36-L40 HydrophobicContact CD1-CD1 4.22Å; L36-L40 HydrophobicContact CD1-CG 4.45Å; L36-L40 HydrophobicContact CG-CD1 4.05Å; L36-L40 WeakPolarHBondContact O-CB 3.14Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.31Å; L36-L40 PolarHBondContact O-N 2.93Å; A37-L40 PolarHBondContact O-N 3.26Å; H38-L40 VanDerWaalsContact C-N 3.34Å; H38-L40 PolarHBondContact O-N 3.1Å; L40-T50 HydrophobicContact CD2-CG2 3.74Å; L40-L52 HydrophobicContact CD1-CD1 4.04Å; L40-L52 HydrophobicContact CD1-CD2 4.26Å; L40-L67 HydrophobicContact CD1-CD1 3.91Å; L40-L67 HydrophobicContact CD1-CD2 4.14Å; L40-V72 HydrophobicContact CB-CG1 3.79Å; L40-V72 HydrophobicContact CD1-CG1 3.85Å; L40-V72 HydrophobicContact CG-CG1 4.46Å; L40-A99 HydrophobicContact CD2-CB 3.87Å; L40-I119 HydrophobicContact CD2-CD1 4.21Å
41R80.8Confident77.2Confident136 Ų13652.4 Ų52.451%0.51327%0.266SS..Hα-helixtrans-90.4-27.2171.3-68.8-172.5-144.8124.1-13.2113.4A37 H38 T39 R70 V72A37-R41 VanDerWaalsContact O-CG 3.3Å; A37-R41 WeakPolarHBondContact O-CG 3.29Å; A37-R41 PolarHBondContact O-N 3.41Å; H38-R41 PolarHBondContact O-N 2.84Å; T39-R41 VanDerWaalsContact C-N 3.34Å; T39-R41 PolarHBondContact O-N 3.32Å; R41-R70 PolarHBondContact NE-O 3.4Å; R41-R70 PolarHBondContact NH2-O 3.04Å; R41-V72 HydrophobicContact CG-CG2 3.91Å
42K74.3Confident77.8Confident127 Ų12751.2 Ų51.255%0.55226%0.257SS*.Hα-helixtrans-83.3-24.9-175.9-171.4163.7-174.4169.80113.1D6 H38 T39D6-K42 IonicContact OD1-NZ 2.68Å; D6-K42 PolarHBondContact OD1-NZ 3.48Å; D6-K42 IonicContact OD2-NZ 2.94Å; D6-K42 PolarHBondContact OD2-NZ 3.34Å; H38-K42 WeakPolarHBondContact NE2-CD 3.26Å; H38-K42 VanDerWaalsContact O-CB 3.27Å; H38-K42 WeakPolarHBondContact O-CB 3.34Å; H38-K42 PolarHBondContact O-N 3.39Å; T39-K42 PolarHBondContact O-N 3.4Å
43R67.1Low78.2Confident65 Ų6550.6 Ų50.625%0.24525%0.252CS..SBendtrans-83.7138.8166.5-71.3167177.9-102.78.8109.2T39 A45 E48 E144T39-R43 PolarHBondContact O-N 2.78Å; R43-A45 PolarHBondContact O-N 3.37Å; R43-A45 VanDerWaalsContact O-N 3.16Å; R43-E48 WeakPolarHBondContact CB-OE2 3.39Å; R43-E48 WeakPolarHBondContact CD-OE2 3.29Å; R43-E48 WeakPolarHBondContact CG-OE2 3.49Å; R43-E48 IonicContact CZ-OE2 3.68Å; R43-E48 IonicContact NE-OE2 2.88Å; R43-E48 IonicContact NH1-OE1 3.79Å; R43-E48 IonicContact NH1-OE2 2.73Å; R43-E48 PolarHBondContact NH1-OE2 3.23Å; R43-E144 IonicContact CZ-OE2 2.68Å; R43-E144 IonicContact NH2-OE2 2.69Å; R43-E144 PolarHBondContact NH2-OE2 3.06Å
44E53.8Low78.3Confident139 Ų13949.5 Ų49.565%0.6525%0.246SC*.  trans-67.8113.4-176.6-76.3-175.616500111.2N46 T47 E48E44-N46 PolarHBondContact O-N 2.85Å; E44-T47 VanDerWaalsContact CB-OG1 3.27Å; E44-T47 WeakPolarHBondContact CB-OG1 3.45Å; E44-T47 PolarHBondContact O-N 3.11Å; E44-T47 VanDerWaalsContact O-N 3.1Å; E44-T47 PolarHBondContact O-OG1 3.07Å; E44-T47 PolarHBondContact OE2-OG1 2.86Å; E44-E48 PolarHBondContact O-N 3.4Å
45A53.4Low78.5Confident68 Ų6849 Ų4956%0.56224%0.242SC*.THydrogen-bonded Turntrans-70.126.1-176.800000115R43 N97R43-A45 PolarHBondContact O-N 3.37Å; R43-A45 VanDerWaalsContact O-N 3.16Å; A45-N97 WeakPolarHBondContact O-CB 3.29Å
46N52.6Low78.5Confident128 Ų12851.9 Ų51.968%0.68426%0.256SS*.THydrogen-bonded Turntrans-133.9-8.9173.9-80.5-34.1000113.7E44 N97E44-N46 PolarHBondContact O-N 2.85Å; N46-N97 PolarHBondContact OD1-ND2 3.29Å
47T57.1Low78.4Confident90 Ų9053.7 Ų53.755%0.55227%0.266SS*.THydrogen-bonded Turntrans-124.7-28.4-173.848.40000113.8E44E44-T47 VanDerWaalsContact CB-OG1 3.27Å; E44-T47 WeakPolarHBondContact CB-OG1 3.45Å; E44-T47 PolarHBondContact O-N 3.11Å; E44-T47 VanDerWaalsContact O-N 3.1Å; E44-T47 PolarHBondContact O-OG1 3.07Å; E44-T47 PolarHBondContact OE2-OG1 2.86Å
48E70.3Confident78.1Confident66 Ų6659.6 Ų59.631%0.30829%0.291SS..  trans-109.2116.3179.9-67.2-168.1169.300114.1R43 E44 T50 N116R43-E48 WeakPolarHBondContact CB-OE2 3.39Å; R43-E48 WeakPolarHBondContact CD-OE2 3.29Å; R43-E48 WeakPolarHBondContact CG-OE2 3.49Å; R43-E48 IonicContact CZ-OE2 3.68Å; R43-E48 IonicContact NE-OE2 2.88Å; R43-E48 IonicContact NH1-OE1 3.79Å; R43-E48 IonicContact NH1-OE2 2.73Å; R43-E48 PolarHBondContact NH1-OE2 3.23Å; E44-E48 PolarHBondContact O-N 3.4Å; E48-T50 PolarHBondContact O-N 3.08Å; E48-N116 HydrophobicContact CB-CB 4.19Å; E48-N116 HydrophobicContact CG-CB 4.34Å
49K82.8Confident78.3Confident40 Ų4059.4 Ų59.417%0.17429%0.291CS..  trans-77.3107.4174.1-72.1170.9-170.9164.10110.3W91 S92 E114 A115 N116 L117K49-W91 HydrophobicContact CB-CH2 3.74Å; K49-W91 HydrophobicContact CB-CZ2 3.81Å; K49-W91 HydrophobicContact CB-CZ3 4.45Å; K49-W91 HydrophobicContact CG-CH2 4.43Å; K49-W91 HydrophobicContact CG-CZ2 4.36Å; K49-S92 PolarHBondContact NZ-O 2.85Å; K49-E114 WeakPolarHBondContact CD-O 3.48Å; K49-A115 CarbonylContact O-C 3.55Å; K49-A115 WeakPolarHBondContact O-CA 3.35Å; K49-N116 PolarHBondContact N-OD1 3.37Å; K49-N116 PolarHBondContact O-N 3.33Å; K49-L117 PolarHBondContact O-N 2.91Å
50T87.8Confident78.4Confident8 Ų858.7 Ų58.75%0.04929%0.286CS..EExtended strand (participates in β ladder)trans-105.2131-179.7-60.20000112.4L40 E48 A99 L100 L117 I119L40-T50 HydrophobicContact CD2-CG2 3.74Å; E48-T50 PolarHBondContact O-N 3.08Å; T50-A99 HydrophobicContact CG2-CB 4.28Å; T50-A99 WeakPolarHBondContact O-CA 3.37Å; T50-L100 PolarHBondContact O-N 3.42Å; T50-L117 CarbonylContact C-O 3.59Å; T50-L117 WeakPolarHBondContact CA-O 3.34Å; T50-L117 HydrophobicContact CG2-CB 4.21Å; T50-L117 HydrophobicContact CG2-CD2 3.86Å; T50-L117 HydrophobicContact CG2-CG 4.15Å; T50-I119 HydrophobicContact CG2-CD1 3.87Å; T50-I119 HydrophobicContact CG2-CG1 4.06Å
51I90.4Very high78.5Confident0 Ų062.9 Ų62.90%031%0.305CS..EExtended strand (participates in β ladder)trans-105.1139.9171.2-58-179.5000109.7I53 W91 L100 L102 L110 V113 A115 L117 V118 I119I51-I53 HydrophobicContact CG2-CD1 4.33Å; I51-I53 HydrophobicContact CG2-CG1 3.81Å; I51-W91 HydrophobicContact CD1-CH2 4Å; I51-W91 HydrophobicContact CD1-CZ3 4.31Å; I51-W91 HydrophobicContact CG1-CH2 3.52Å; I51-W91 HydrophobicContact CG1-CZ2 4.12Å; I51-W91 HydrophobicContact CG1-CZ3 4.28Å; I51-L100 CarbonylContact C-O 3.54Å; I51-L100 WeakPolarHBondContact CA-O 3.5Å; I51-L102 HydrophobicContact CG2-CD2 3.72Å; I51-L102 HydrophobicContact CG2-CG 4.14Å; I51-L110 HydrophobicContact CD1-CD2 4.16Å; I51-V113 HydrophobicContact CD1-CG2 4.28Å; I51-A115 HydrophobicContact CD1-CB 3.7Å; I51-A115 HydrophobicContact CG1-CB 3.95Å; I51-L117 PolarHBondContact N-O 3.38Å; I51-V118 HydrophobicContact CB-CG2 4.36Å; I51-I119 PolarHBondContact O-N 2.85Å
52L92Very high78.8Confident0 Ų064.1 Ų64.10%031%0.31CS..EExtended strand (participates in β ladder)trans-119.4114.7178.6-71.7150000108.3L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121L36-L52 HydrophobicContact CD1-CD2 3.77Å; L36-L52 HydrophobicContact CD2-CD2 4.05Å; L36-L52 HydrophobicContact CG-CD2 4.3Å; L40-L52 HydrophobicContact CD1-CD1 4.04Å; L40-L52 HydrophobicContact CD1-CD2 4.26Å; L52-L63 HydrophobicContact CB-CD2 4.41Å; L52-L63 HydrophobicContact CD2-CD2 4.5Å; L52-L67 HydrophobicContact CD1-CD1 4.31Å; L52-T74 HydrophobicContact CD1-CG2 4.15Å; L52-A99 HydrophobicContact CD1-CB 3.62Å; L52-L100 PolarHBondContact N-O 3.42Å; L52-I101 HydrophobicContact CB-CB 4.27Å; L52-I101 HydrophobicContact CB-CG1 3.85Å; L52-I101 HydrophobicContact CB-CG2 4.43Å; L52-I101 HydrophobicContact CD1-CD1 4.43Å; L52-I101 HydrophobicContact CD1-CG1 3.62Å; L52-I101 HydrophobicContact CG-CG1 4.36Å; L52-I101 WeakPolarHBondContact O-CA 3.47Å; L52-L102 PolarHBondContact O-N 3.05Å; L52-I119 HydrophobicContact CD2-CB 4.05Å; L52-I119 HydrophobicContact CD2-CD1 3.99Å; L52-I119 HydrophobicContact CD2-CG1 4.45Å; L52-I119 HydrophobicContact CD2-CG2 4.43Å; L52-T121 HydrophobicContact CD2-CG2 4.01Å
53I91.4Very high79.5Confident0 Ų058.7 Ų58.70%029%0.287CS..EExtended strand (participates in β ladder)trans-109.8122-173.8-52.2-179.8000110.2I51 L102 L107 V118 I119 T121 L136I51-I53 HydrophobicContact CG2-CD1 4.33Å; I51-I53 HydrophobicContact CG2-CG1 3.81Å; I53-L102 WeakPolarHBondContact CA-O 3.34Å; I53-L102 HydrophobicContact CG1-CD1 4.11Å; I53-L102 HydrophobicContact CG2-CD1 4.28Å; I53-L107 HydrophobicContact CD1-CD2 4.18Å; I53-V118 HydrophobicContact CD1-CG1 3.45Å; I53-V118 VanDerWaalsContact CD1-CG1 3.45Å; I53-V118 HydrophobicContact CG1-CG1 4.12Å; I53-I119 PolarHBondContact N-O 3.23Å; I53-T121 PolarHBondContact O-N 3.17Å; I53-T121 PolarHBondContact O-OG1 3.07Å; I53-L136 HydrophobicContact CD1-CD1 3.74Å; I53-L136 HydrophobicContact CD1-CD2 3.91Å; I53-L136 HydrophobicContact CD1-CG 4.34Å
54C90.8Very high80.7Confident2 Ų259.5 Ų59.51%0.01429%0.292CS..EExtended strand (participates in β ladder)trans-106.2167.5167.8-52.70000110.5E59 A60 L102 C103 D104 T121 T122C54-E59 HydrophobicContact CB-CB 3.76Å; C54-A60 HydrophobicContact CB-CB 4.2Å; C54-L102 PolarHBondContact N-O 2.91Å; C54-C103 CarbonylContact O-C 3.55Å; C54-C103 VanDerWaalsContact O-CA 3.26Å; C54-C103 WeakPolarHBondContact O-CA 3.4Å; C54-D104 PolarHBondContact O-N 3.36Å; C54-D104 VanDerWaalsContact O-N 3.17Å; C54-T121 PolarHBondContact SG-OG1 2.94Å; C54-T122 WeakPolarHBondContact CA-OG1 3.3Å
55Q88.4Confident82.3Confident58 Ų5858.7 Ų58.727%0.27129%0.287SS..SBendtrans-78.7-47.7173.4-168.8-175.146.700110.4E59 D104 T122 P124Q55-E59 PolarHBondContact N-OE2 2.84Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.46Å; Q55-T122 PolarHBondContact N-OG1 3.47Å; Q55-P124 HydrophobicContact CG-CB 4.31Å
56Q86.1Confident84Confident89 Ų8957 Ų5742%0.41627%0.267SS..SBendtrans-121.6152.7-173.8-54.8-173.546.600113.3F58 E59 A60Q56-F58 VanDerWaalsContact C-N 3.25Å; Q56-F58 HydrophobicContact CB-CD1 3.72Å; Q56-F58 HydrophobicContact CB-CE1 3.73Å; Q56-F58 HydrophobicContact CG-CE1 4.23Å; Q56-F58 PolarHBondContact O-N 3.3Å; Q56-E59 HydrophobicContact CB-CG 4.47Å; Q56-E59 VanDerWaalsContact CB-OE1 3.3Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.38Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.44Å; Q56-E59 PolarHBondContact N-OE1 3.44Å; Q56-E59 PolarHBondContact N-OE2 3.45Å; Q56-E59 WeakPolarHBondContact O-CB 3.39Å; Q56-E59 PolarHBondContact O-N 3.28Å; Q56-E59 VanDerWaalsContact O-N 3.08Å; Q56-A60 PolarHBondContact O-N 3.02Å
57N84.9Confident85.6Confident41 Ų4150.9 Ų50.922%0.21923%0.234CC..Hα-helixtrans-60-31.2-178.7178.672.6000113.5E59 A60 E61 P79N57-E59 VanDerWaalsContact C-N 3.33Å; N57-E59 PolarHBondContact O-N 2.87Å; N57-A60 WeakPolarHBondContact O-CB 3.39Å; N57-A60 PolarHBondContact O-N 3.09Å; N57-E61 PolarHBondContact ND2-OE1 2.94Å; N57-E61 WeakPolarHBondContact O-CG 3.37Å; N57-E61 PolarHBondContact O-N 3.19Å; N57-P79 HydrophobicContact CB-CG 4.09Å; N57-P79 WeakPolarHBondContact OD1-CD 3.37Å
58F82.4Confident87Confident124 Ų12449.3 Ų49.354%0.54423%0.23SC..Hα-helixtrans-69.5-31.4177.883.3-95.3000112.4Q56 R62Q56-F58 VanDerWaalsContact C-N 3.25Å; Q56-F58 HydrophobicContact CB-CD1 3.72Å; Q56-F58 HydrophobicContact CB-CE1 3.73Å; Q56-F58 HydrophobicContact CG-CE1 4.23Å; Q56-F58 PolarHBondContact O-N 3.3Å; F58-R62 WeakPolarHBondContact O-CB 3.47Å; F58-R62 PolarHBondContact O-N 3.3Å
59E87.4Confident87.7Confident32 Ų3252.4 Ų52.415%0.1525%0.245CC..Hα-helixtrans-66.3-44.4171.6-62.8156.6-139.600109.6C54 Q55 Q56 N57 R62 L63 T122C54-E59 HydrophobicContact CB-CB 3.76Å; Q55-E59 PolarHBondContact N-OE2 2.84Å; Q56-E59 HydrophobicContact CB-CG 4.47Å; Q56-E59 VanDerWaalsContact CB-OE1 3.3Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.38Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.44Å; Q56-E59 PolarHBondContact N-OE1 3.44Å; Q56-E59 PolarHBondContact N-OE2 3.45Å; Q56-E59 WeakPolarHBondContact O-CB 3.39Å; Q56-E59 PolarHBondContact O-N 3.28Å; Q56-E59 VanDerWaalsContact O-N 3.08Å; N57-E59 VanDerWaalsContact C-N 3.33Å; N57-E59 PolarHBondContact O-N 2.87Å; E59-R62 PolarHBondContact O-N 3.37Å; E59-L63 VanDerWaalsContact O-CB 3.23Å; E59-L63 WeakPolarHBondContact O-CB 3.47Å; E59-L63 PolarHBondContact O-N 2.71Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.47Å; E59-T122 PolarHBondContact OE2-OG1 3.25Å
60A87.4Confident87.8Confident0 Ų052.6 Ų52.60%025%0.245CC..Hα-helixtrans-64.1-40.5178.900000112.7C54 Q56 N57 K64 L76 I101C54-A60 HydrophobicContact CB-CB 4.2Å; Q56-A60 PolarHBondContact O-N 3.02Å; N57-A60 WeakPolarHBondContact O-CB 3.39Å; N57-A60 PolarHBondContact O-N 3.09Å; A60-K64 WeakPolarHBondContact O-CB 3.31Å; A60-K64 PolarHBondContact O-N 2.96Å; A60-K64 VanDerWaalsContact O-N 3.1Å; A60-L76 HydrophobicContact CB-CD1 3.53Å; A60-I101 HydrophobicContact CB-CG2 3.75Å
61E87.1Confident87.6Confident108 Ų10858.2 Ų58.251%0.50527%0.274SS..Hα-helixtrans-64.5-43.7171.6-76.4179-16800112.3N57 F65 L76N57-E61 PolarHBondContact ND2-OE1 2.94Å; N57-E61 WeakPolarHBondContact O-CG 3.37Å; N57-E61 PolarHBondContact O-N 3.19Å; E61-F65 PolarHBondContact O-N 3.14Å; E61-L76 HydrophobicContact CB-CD2 4.37Å; E61-L76 HydrophobicContact CG-CD2 3.57Å
62R87.9Confident87.2Confident161 Ų16158.7 Ų58.761%0.60828%0.277SS*.Hα-helixtrans-64.5-46.7175.8-179.5179.8174.3-169.2-3.4111.5F58 E59 K64 F65 E66F58-R62 WeakPolarHBondContact O-CB 3.47Å; F58-R62 PolarHBondContact O-N 3.3Å; E59-R62 PolarHBondContact O-N 3.37Å; R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 3.16Å; R62-F65 WeakPolarHBondContact O-CB 3.37Å; R62-F65 PolarHBondContact O-N 2.83Å; R62-E66 HydrophobicContact CG-CG 3.93Å; R62-E66 IonicContact CZ-OE1 3.32Å; R62-E66 IonicContact NE-OE1 2.77Å; R62-E66 PolarHBondContact NE-OE1 3.19Å; R62-E66 IonicContact NH2-OE1 3.48Å; R62-E66 PolarHBondContact NH2-OE1 3.26Å; R62-E66 VanDerWaalsContact O-CG 3.27Å; R62-E66 WeakPolarHBondContact O-CG 3.4Å; R62-E66 PolarHBondContact O-N 2.79Å
63L88.9Confident86.7Confident13 Ų1364.4 Ų64.47%0.06831%0.308CS..Hα-helixtrans-58.7-41.6-179.8-177.264.7000111.2L33 L36 L52 E59 F65 E66 L67 I101 T121L33-L63 HydrophobicContact CD2-CD1 3.7Å; L36-L63 HydrophobicContact CD2-CD1 3.72Å; L52-L63 HydrophobicContact CB-CD2 4.41Å; L52-L63 HydrophobicContact CD2-CD2 4.5Å; E59-L63 VanDerWaalsContact O-CB 3.23Å; E59-L63 WeakPolarHBondContact O-CB 3.47Å; E59-L63 PolarHBondContact O-N 2.71Å; L63-F65 VanDerWaalsContact C-N 3.3Å; L63-F65 PolarHBondContact O-N 2.86Å; L63-E66 PolarHBondContact O-N 2.88Å; L63-L67 HydrophobicContact CD1-CD1 4.13Å; L63-L67 HydrophobicContact CD1-CG 4.28Å; L63-L67 HydrophobicContact CG-CD1 4Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 3.31Å; L63-I101 HydrophobicContact CD2-CD1 4.34Å; L63-I101 HydrophobicContact CD2-CG1 4.47Å; L63-I101 HydrophobicContact CD2-CG2 4.11Å; L63-I101 HydrophobicContact CG-CD1 4.24Å; L63-T121 HydrophobicContact CD2-CG2 3.88Å
64K91.6Very high86.6Confident83 Ų8364.9 Ų64.936%0.36131%0.311SS..Hα-helixtrans-58.3-42.7174-163.1-164.2-167.9172.90112.2A60 R62 A68 T74 L76 I101A60-K64 WeakPolarHBondContact O-CB 3.31Å; A60-K64 PolarHBondContact O-N 2.96Å; A60-K64 VanDerWaalsContact O-N 3.1Å; R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 3.16Å; K64-A68 VanDerWaalsContact O-CB 3.3Å; K64-A68 WeakPolarHBondContact O-CB 3.13Å; K64-A68 PolarHBondContact O-N 3.06Å; K64-T74 WeakPolarHBondContact CE-O 3.37Å; K64-T74 WeakPolarHBondContact CG-OG1 3.13Å; K64-L76 HydrophobicContact CD-CB 3.76Å; K64-L76 HydrophobicContact CG-CB 4.37Å; K64-I101 HydrophobicContact CB-CD1 3.83Å; K64-I101 HydrophobicContact CG-CD1 4.18Å
65F87.3Confident86.6Confident122 Ų12266.6 Ų66.654%0.53532%0.319SS..Hα-helixtrans-68.5-48.7178.6-176.5-89.8000111.6E61 R62 L63 L67 A68 E69E61-F65 PolarHBondContact O-N 3.14Å; R62-F65 WeakPolarHBondContact O-CB 3.37Å; R62-F65 PolarHBondContact O-N 2.83Å; L63-F65 VanDerWaalsContact C-N 3.3Å; L63-F65 PolarHBondContact O-N 2.86Å; F65-L67 VanDerWaalsContact C-N 3.29Å; F65-L67 PolarHBondContact O-N 2.89Å; F65-A68 PolarHBondContact O-N 3.05Å; F65-A68 VanDerWaalsContact O-N 3.08Å; F65-E69 HydrophobicContact CD1-CG 4.32Å; F65-E69 HydrophobicContact CE1-CG 3.83Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.31Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.18Å; F65-E69 HydrophobicContact CZ-CG 4.06Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.31Å; F65-E69 PolarHBondContact O-N 3.14Å
66E89.5Confident86.6Confident31 Ų3164.9 Ų64.915%0.14531%0.312CS..Hα-helixtrans-62-32.8179.7-66.3-93.5-162.700112.8L33 R62 L63 R70L33-E66 HydrophobicContact CD1-CB 3.99Å; L33-E66 HydrophobicContact CD1-CG 4.01Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.46Å; L33-E66 HydrophobicContact CD2-CB 3.88Å; L33-E66 HydrophobicContact CD2-CG 4.49Å; R62-E66 HydrophobicContact CG-CG 3.93Å; R62-E66 IonicContact CZ-OE1 3.32Å; R62-E66 IonicContact NE-OE1 2.77Å; R62-E66 PolarHBondContact NE-OE1 3.19Å; R62-E66 IonicContact NH2-OE1 3.48Å; R62-E66 PolarHBondContact NH2-OE1 3.26Å; R62-E66 VanDerWaalsContact O-CG 3.27Å; R62-E66 WeakPolarHBondContact O-CG 3.4Å; R62-E66 PolarHBondContact O-N 2.79Å; L63-E66 PolarHBondContact O-N 2.88Å; E66-R70 VanDerWaalsContact O-CD 3.31Å; E66-R70 WeakPolarHBondContact O-CD 3.42Å; E66-R70 WeakPolarHBondContact O-CG 3.45Å; E66-R70 PolarHBondContact O-NH1 3.29Å; E66-R70 IonicContact OE2-CZ 3.61Å; E66-R70 IonicContact OE2-NH1 3.3Å; E66-R70 PolarHBondContact OE2-NH1 3.09Å
67L87Confident86.4Confident0 Ų060.7 Ų60.70%029%0.292CS..Hα-helixtrans-77.5-33.7173-74.3175.2000112.6L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101L36-L67 HydrophobicContact CD2-CD1 4.18Å; L36-L67 HydrophobicContact CD2-CD2 4.15Å; L36-L67 HydrophobicContact CG-CD2 4.14Å; A37-L67 HydrophobicContact CB-CD2 4.11Å; L40-L67 HydrophobicContact CD1-CD1 3.91Å; L40-L67 HydrophobicContact CD1-CD2 4.14Å; L52-L67 HydrophobicContact CD1-CD1 4.31Å; L63-L67 HydrophobicContact CD1-CD1 4.13Å; L63-L67 HydrophobicContact CD1-CG 4.28Å; L63-L67 HydrophobicContact CG-CD1 4Å; L63-L67 WeakPolarHBondContact O-CB 3.4Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 3.31Å; F65-L67 VanDerWaalsContact C-N 3.29Å; F65-L67 PolarHBondContact O-N 2.89Å; L67-R70 CarbonylContact O-C 3.5Å; L67-R70 VanDerWaalsContact O-C 3.26Å; L67-R70 WeakPolarHBondContact O-CA 3.38Å; L67-R70 PolarHBondContact O-N 3.03Å; L67-D71 PolarHBondContact O-N 3.01Å; L67-V72 CarbonylContact C-O 3.6Å; L67-V72 HydrophobicContact CB-CB 4.23Å; L67-V72 HydrophobicContact CD2-CB 4.4Å; L67-V72 PolarHBondContact O-N 3.06Å; L67-T74 HydrophobicContact CD1-CG2 3.91Å; L67-I101 HydrophobicContact CD1-CD1 4.36Å
68A84.6Confident85.8Confident57 Ų5761.7 Ų61.747%0.47130%0.301SS..Hα-helixtrans-69.3-35.2175.100000112.7K64 F65 R70 D71K64-A68 VanDerWaalsContact O-CB 3.3Å; K64-A68 WeakPolarHBondContact O-CB 3.13Å; K64-A68 PolarHBondContact O-N 3.06Å; F65-A68 PolarHBondContact O-N 3.05Å; F65-A68 VanDerWaalsContact O-N 3.08Å; A68-R70 PolarHBondContact O-N 3.47Å; A68-D71 PolarHBondContact O-N 3.03Å
69E85.4Confident85.1Confident132 Ų13257.9 Ų57.962%0.61729%0.289SS*.THydrogen-bonded Turntrans-67.6-8.8168.7-68-162.4140.900113.1F65F65-E69 HydrophobicContact CD1-CG 4.32Å; F65-E69 HydrophobicContact CE1-CG 3.83Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.31Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.18Å; F65-E69 HydrophobicContact CZ-CG 4.06Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.31Å; F65-E69 PolarHBondContact O-N 3.14Å
70R86.1Confident83.9Confident44 Ų4463.6 Ų63.617%0.16632%0.315CS..THydrogen-bonded Turntrans-112.123.9175.2-64.7170.1172.884.4-2.4112.2L33 D34 A37 R41 E66 L67 A68 V72L33-R70 VanDerWaalsContact CB-CZ 3.48Å; D34-R70 IonicContact OD1-CZ 3.69Å; D34-R70 IonicContact OD1-NE 3.52Å; D34-R70 PolarHBondContact OD1-NE 2.8Å; D34-R70 IonicContact OD1-NH2 2.71Å; D34-R70 PolarHBondContact OD1-NH2 3.07Å; A37-R70 HydrophobicContact CB-CB 3.83Å; A37-R70 HydrophobicContact CB-CG 4.46Å; R41-R70 PolarHBondContact NE-O 3.4Å; R41-R70 PolarHBondContact NH2-O 3.04Å; E66-R70 VanDerWaalsContact O-CD 3.31Å; E66-R70 WeakPolarHBondContact O-CD 3.42Å; E66-R70 WeakPolarHBondContact O-CG 3.45Å; E66-R70 PolarHBondContact O-NH1 3.29Å; E66-R70 IonicContact OE2-CZ 3.61Å; E66-R70 IonicContact OE2-NH1 3.3Å; E66-R70 PolarHBondContact OE2-NH1 3.09Å; L67-R70 CarbonylContact O-C 3.5Å; L67-R70 VanDerWaalsContact O-C 3.26Å; L67-R70 WeakPolarHBondContact O-CA 3.38Å; L67-R70 PolarHBondContact O-N 3.03Å; A68-R70 PolarHBondContact O-N 3.47Å; R70-V72 PolarHBondContact O-N 3.08Å; R70-V72 VanDerWaalsContact O-N 3.11Å
71D82.1Confident82.9Confident125 Ų12564.8 Ų64.867%0.66833%0.327SS*.THydrogen-bonded Turntrans58.718.7178-58.7-54.7000115.4L67 A68L67-D71 PolarHBondContact O-N 3.01Å; A68-D71 PolarHBondContact O-N 3.03Å
72V83.1Confident81.8Confident11 Ų1164.8 Ų64.87%0.06735%0.346CS..  trans-101.4105.6177.6-177.70000110.5A37 L40 R41 L67 R70 T74A37-V72 HydrophobicContact CB-CG2 3.91Å; L40-V72 HydrophobicContact CB-CG1 3.79Å; L40-V72 HydrophobicContact CD1-CG1 3.85Å; L40-V72 HydrophobicContact CG-CG1 4.46Å; R41-V72 HydrophobicContact CG-CG2 3.91Å; L67-V72 CarbonylContact C-O 3.6Å; L67-V72 HydrophobicContact CB-CB 4.23Å; L67-V72 HydrophobicContact CD2-CB 4.4Å; L67-V72 PolarHBondContact O-N 3.06Å; R70-V72 PolarHBondContact O-N 3.08Å; R70-V72 VanDerWaalsContact O-N 3.11Å; V72-T74 HydrophobicContact CG1-CG2 4.06Å; V72-T74 PolarHBondContact O-N 2.8Å
73N82.1Confident80.9Confident119 Ų11962.5 Ų62.564%0.63634%0.343SS*.  trans-74.3119.2177.6-73-70.8000111.3Q98N73-Q98 HydrophobicContact CB-CG 4.36Å
74T89.4Confident80.5Confident10 Ų1062.5 Ų62.56%0.06134%0.344CS..EExtended strand (participates in β ladder)trans-129.4148.1-178.353.10000111.9L52 K64 L67 V72 A99 I101L52-T74 HydrophobicContact CD1-CG2 4.15Å; K64-T74 WeakPolarHBondContact CE-O 3.37Å; K64-T74 WeakPolarHBondContact CG-OG1 3.13Å; L67-T74 HydrophobicContact CD1-CG2 3.91Å; V72-T74 HydrophobicContact CG1-CG2 4.06Å; V72-T74 PolarHBondContact O-N 2.8Å; T74-A99 WeakPolarHBondContact CA-O 3.47Å; T74-A99 HydrophobicContact CG2-CB 4.3Å; T74-I101 HydrophobicContact CG2-CD1 4.17Å; T74-I101 HydrophobicContact CG2-CG1 4.45Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.39Å
75I88.9Confident79.8Confident38 Ų3861.1 Ų61.120%0.19535%0.353CS..EExtended strand (participates in β ladder)trans-97.3120.1169-62.6-153.6000108.8V87 I96 Q98 A99 L100 I101I75-V87 HydrophobicContact CG2-CG1 3.91Å; I75-I96 HydrophobicContact CD1-CD1 4.08Å; I75-I96 HydrophobicContact CD1-CG2 3.54Å; I75-I96 HydrophobicContact CG1-CG2 4.2Å; I75-Q98 HydrophobicContact CG1-CB 4.16Å; I75-Q98 VanDerWaalsContact CG1-OE1 3.31Å; I75-A99 PolarHBondContact N-O 2.9Å; I75-L100 HydrophobicContact CB-CD1 4.38Å; I75-L100 HydrophobicContact CG2-CD1 4.14Å; I75-L100 CarbonylContact O-C 3.55Å; I75-L100 WeakPolarHBondContact O-CA 3.46Å; I75-I101 PolarHBondContact O-N 3.16Å
76L88.8Confident79.5Confident23 Ų2360.6 Ų60.612%0.1235%0.353CS..EExtended strand (participates in β ladder)trans-84.1130.1163.9172.864.8000108.8A60 E61 K64 P78 I101A60-L76 HydrophobicContact CB-CD1 3.53Å; E61-L76 HydrophobicContact CB-CD2 4.37Å; E61-L76 HydrophobicContact CG-CD2 3.57Å; K64-L76 HydrophobicContact CD-CB 3.76Å; K64-L76 HydrophobicContact CG-CB 4.37Å; L76-P78 VanDerWaalsContact O-CD 3.3Å; L76-P78 WeakPolarHBondContact O-CD 3.44Å; L76-I101 WeakPolarHBondContact CA-O 3.22Å; L76-I101 HydrophobicContact CD1-CB 4.14Å; L76-I101 HydrophobicContact CD1-CG2 4Å
77L82.7Confident79.2Confident0 Ų060.8 Ų60.80%036%0.356CS..  trans-90.3102.5172-160.677.1000109V84 V87 L88 L100 I101 L102 M106L77-V84 HydrophobicContact CD1-CG1 4.22Å; L77-V84 HydrophobicContact CD1-CG2 4.33Å; L77-V84 HydrophobicContact CD2-CG1 4.16Å; L77-V84 HydrophobicContact CG-CG1 4.22Å; L77-V84 HydrophobicContact CG-CG2 4.23Å; L77-V87 HydrophobicContact CD1-CB 4.2Å; L77-V87 HydrophobicContact CD1-CG1 3.94Å; L77-L88 HydrophobicContact CD1-CD2 4.22Å; L77-L88 HydrophobicContact CD1-CG 4Å; L77-L88 HydrophobicContact CD2-CD1 4.11Å; L77-L88 HydrophobicContact CD2-CD2 3.9Å; L77-L88 HydrophobicContact CD2-CG 4.07Å; L77-L100 HydrophobicContact CB-CD1 4.16Å; L77-L100 HydrophobicContact CD1-CD1 4.29Å; L77-I101 PolarHBondContact N-O 3.15Å; L77-L102 HydrophobicContact CB-CB 4.33Å; L77-M106 HydrophobicContact CD2-CB 4.47Å; L77-M106 HydrophobicContact CD2-CE 3.83Å; L77-M106 HydrophobicContact CG-CE 4.14Å
78P72Confident79.1Confident63 Ų6361.4 Ų61.441%0.40936%0.359SS..  trans-77.9139.8-17231.5-34.8000111.5L76 H80 G81 V84L76-P78 VanDerWaalsContact O-CD 3.3Å; L76-P78 WeakPolarHBondContact O-CD 3.44Å; P78-H80 PolarHBondContact O-N 3.19Å; P78-G81 PolarHBondContact O-N 3.38Å; P78-V84 WeakPolarHBondContact O-CG2 3.27Å
79P66.9Low78.9Confident43 Ų4363.3 Ų63.328%0.27936%0.361SS..THydrogen-bonded Turntrans-58.6130.9175.324.1-33000111.4N57 G81 M106N57-P79 HydrophobicContact CB-CG 4.09Å; N57-P79 WeakPolarHBondContact OD1-CD 3.37Å; P79-G81 PolarHBondContact O-N 2.99Å; P79-M106 VanDerWaalsContact CA-SD 3.58Å; P79-M106 HydrophobicContact CB-SD 4.07Å
80H63.7Low78.7Confident152 Ų15260.8 Ų60.870%0.70435%0.351SS*.THydrogen-bonded Turntrans6021.9-179.9-36.5-61.1000115.5P78 A82P78-H80 PolarHBondContact O-N 3.19Å; H80-A82 PolarHBondContact O-N 2.89Å
81G65.4Low78.8Confident25 Ų2558.8 Ų58.826%0.25834%0.344SS..  trans-67.4126172.600000112.4P78 P79 M83 V84P78-G81 PolarHBondContact O-N 3.38Å; P79-G81 PolarHBondContact O-N 2.99Å; G81-M83 PolarHBondContact O-N 3.21Å; G81-V84 WeakPolarHBondContact O-CB 3.48Å; G81-V84 WeakPolarHBondContact O-CG2 3.31Å; G81-V84 PolarHBondContact O-N 3.3Å
82A63.5Low78.7Confident108 Ų10854.5 Ų54.589%0.89332%0.323SS*.THydrogen-bonded Turntrans-60.2-10.9-179.600000115.3H80H80-A82 PolarHBondContact O-N 2.89Å
83M70.8Confident78.5Confident113 Ų11360.4 Ų60.456%0.55735%0.348SS*.THydrogen-bonded Turntrans-101.9-1.7177.3-55.7-66-71.700113.3G81 G85 Q86 V87G81-M83 PolarHBondContact O-N 3.21Å; M83-G85 PolarHBondContact O-N 2.93Å; M83-Q86 WeakPolarHBondContact O-CA 3.29Å; M83-Q86 WeakPolarHBondContact O-CB 3.45Å; M83-Q86 PolarHBondContact O-N 3.1Å; M83-V87 HydrophobicContact CB-CG2 4.39Å; M83-V87 PolarHBondContact O-N 2.85Å
84V79.8Confident78.1Confident13 Ų1356.2 Ų56.28%0.07933%0.333CS..Hα-helixtrans-52.1-51.4-171.5160.20000112.4L77 P78 G81 Q86 V87 L88 M106L77-V84 HydrophobicContact CD1-CG1 4.22Å; L77-V84 HydrophobicContact CD1-CG2 4.33Å; L77-V84 HydrophobicContact CD2-CG1 4.16Å; L77-V84 HydrophobicContact CG-CG1 4.22Å; L77-V84 HydrophobicContact CG-CG2 4.23Å; P78-V84 WeakPolarHBondContact O-CG2 3.27Å; G81-V84 WeakPolarHBondContact O-CB 3.48Å; G81-V84 WeakPolarHBondContact O-CG2 3.31Å; G81-V84 PolarHBondContact O-N 3.3Å; V84-Q86 VanDerWaalsContact C-N 3.27Å; V84-Q86 PolarHBondContact O-N 2.86Å; V84-V87 PolarHBondContact O-N 3.09Å; V84-L88 HydrophobicContact CG1-CD1 3.9Å; V84-L88 WeakPolarHBondContact O-CB 3.25Å; V84-L88 WeakPolarHBondContact O-CG 3.49Å; V84-L88 PolarHBondContact O-N 2.85Å; V84-M106 HydrophobicContact CG1-CE 3.77Å; V84-M106 HydrophobicContact CG2-CE 3.97Å
85G77.5Confident77.6Confident54 Ų5463.9 Ų63.956%0.55736%0.362SS*.Hα-helixtrans-63.6-29.4178.700000114M83 L89M83-G85 PolarHBondContact O-N 2.93Å; G85-L89 WeakPolarHBondContact O-CB 3.35Å; G85-L89 PolarHBondContact O-N 2.87Å
86Q80.4Confident77.2Confident112 Ų11263.5 Ų63.552%0.52336%0.36SS..Hα-helixtrans-76.3-39.8175.7-63.4-175.40.100111.7M83 V84 L89 L90M83-Q86 WeakPolarHBondContact O-CA 3.29Å; M83-Q86 WeakPolarHBondContact O-CB 3.45Å; M83-Q86 PolarHBondContact O-N 3.1Å; V84-Q86 VanDerWaalsContact C-N 3.27Å; V84-Q86 PolarHBondContact O-N 2.86Å; Q86-L89 PolarHBondContact O-N 2.8Å; Q86-L90 WeakPolarHBondContact O-CB 3.08Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.36Å; Q86-L90 PolarHBondContact O-N 2.86Å
87V82.9Confident76.6Confident35 Ų3565.1 Ų65.121%0.21237%0.368CS..Hα-helixtrans-64-46.1175.1173.90000110.4I75 L77 M83 V84 L89 L90 W91I75-V87 HydrophobicContact CG2-CG1 3.91Å; L77-V87 HydrophobicContact CD1-CB 4.2Å; L77-V87 HydrophobicContact CD1-CG1 3.94Å; M83-V87 HydrophobicContact CB-CG2 4.39Å; M83-V87 PolarHBondContact O-N 2.85Å; V84-V87 PolarHBondContact O-N 3.09Å; V87-L89 PolarHBondContact O-N 3.48Å; V87-L90 PolarHBondContact O-N 2.88Å; V87-W91 VanDerWaalsContact O-CB 3.29Å; V87-W91 WeakPolarHBondContact O-CB 3.18Å; V87-W91 PolarHBondContact O-N 3.22Å
88L84.4Confident76.8Confident13 Ų1368.9 Ų68.97%0.06839%0.386CS..Hα-helixtrans-60.8-42.7174.9-74.2172000112.3L77 V84 W91 S92 L100 H109 L110L77-L88 HydrophobicContact CD1-CD2 4.22Å; L77-L88 HydrophobicContact CD1-CG 4Å; L77-L88 HydrophobicContact CD2-CD1 4.11Å; L77-L88 HydrophobicContact CD2-CD2 3.9Å; L77-L88 HydrophobicContact CD2-CG 4.07Å; V84-L88 HydrophobicContact CG1-CD1 3.9Å; V84-L88 WeakPolarHBondContact O-CB 3.25Å; V84-L88 WeakPolarHBondContact O-CG 3.49Å; V84-L88 PolarHBondContact O-N 2.85Å; L88-W91 PolarHBondContact O-N 3.46Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.19Å; L88-S92 PolarHBondContact O-N 3.47Å; L88-S92 PolarHBondContact O-OG 2.96Å; L88-S92 VanDerWaalsContact O-OG 3.13Å; L88-L100 HydrophobicContact CD2-CD2 3.85Å; L88-H109 WeakPolarHBondContact CD1-O 3.43Å; L88-L110 HydrophobicContact CD2-CD2 4.13Å
89L80.9Confident77.5Confident96 Ų9666.4 Ų66.450%0.50337%0.371SS..Hα-helixtrans-66.3-35.7178-178.463.2000113.2G85 Q86 V87 S92 K93G85-L89 WeakPolarHBondContact O-CB 3.35Å; G85-L89 PolarHBondContact O-N 2.87Å; Q86-L89 PolarHBondContact O-N 2.8Å; V87-L89 PolarHBondContact O-N 3.48Å; L89-S92 PolarHBondContact O-OG 3.39Å; L89-K93 HydrophobicContact CD1-CD 4.31Å; L89-K93 WeakPolarHBondContact O-CB 3.39Å; L89-K93 WeakPolarHBondContact O-CG 3.48Å; L89-K93 PolarHBondContact O-N 3.23Å
90L82Confident78.7Confident80 Ų8064.3 Ų64.342%0.41936%0.358SS..Hα-helixtrans-73.5-37.6176.1-71.5170.4000111.7Q86 V87 G94 Y95 I96Q86-L90 WeakPolarHBondContact O-CB 3.08Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.36Å; Q86-L90 PolarHBondContact O-N 2.86Å; V87-L90 PolarHBondContact O-N 2.88Å; L90-G94 PolarHBondContact O-N 3.17Å; L90-Y95 HydrophobicContact CD2-CD2 3.78Å; L90-Y95 HydrophobicContact CD2-CG 4.22Å; L90-Y95 WeakPolarHBondContact O-CB 3.48Å; L90-Y95 PolarHBondContact O-N 2.97Å; L90-I96 HydrophobicContact CB-CD1 3.64Å; L90-I96 HydrophobicContact CB-CG1 4.01Å; L90-I96 HydrophobicContact CD1-CD1 4.45Å; L90-I96 PolarHBondContact O-N 2.62Å
91W87.1Confident80Confident2 Ų257.1 Ų57.11%0.00832%0.324CS..Hα-helixtrans-69.7-47.3176.5-170.985.6000112.2K49 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115K49-W91 HydrophobicContact CB-CH2 3.74Å; K49-W91 HydrophobicContact CB-CZ2 3.81Å; K49-W91 HydrophobicContact CB-CZ3 4.45Å; K49-W91 HydrophobicContact CG-CH2 4.43Å; K49-W91 HydrophobicContact CG-CZ2 4.36Å; I51-W91 HydrophobicContact CD1-CH2 4Å; I51-W91 HydrophobicContact CD1-CZ3 4.31Å; I51-W91 HydrophobicContact CG1-CH2 3.52Å; I51-W91 HydrophobicContact CG1-CZ2 4.12Å; I51-W91 HydrophobicContact CG1-CZ3 4.28Å; V87-W91 VanDerWaalsContact O-CB 3.29Å; V87-W91 WeakPolarHBondContact O-CB 3.18Å; V87-W91 PolarHBondContact O-N 3.22Å; L88-W91 PolarHBondContact O-N 3.46Å; W91-K93 VanDerWaalsContact C-N 3.25Å; W91-K93 PolarHBondContact O-N 2.96Å; W91-G94 PolarHBondContact O-N 3.31Å; W91-I96 HydrophobicContact CB-CB 4.32Å; W91-Q98 PolarHBondContact NE1-O 3.17Å; W91-L100 HydrophobicContact CD2-CB 4.34Å; W91-L100 HydrophobicContact CD2-CD2 4.12Å; W91-L100 HydrophobicContact CE3-CD2 4.16Å; W91-L100 HydrophobicContact CZ2-CB 3.89Å; W91-L100 HydrophobicContact CZ3-CD2 4.41Å; W91-V113 HydrophobicContact CZ3-CB 4.24Å; W91-V113 HydrophobicContact CZ3-CG2 4.38Å; W91-A115 HydrophobicContact CH2-CB 4.27Å
92S79.8Confident81.2Confident35 Ų3555.9 Ų55.925%0.24531%0.312CS..Hα-helixtrans-62.6-32.8178.569.60000112.6K49 L88 L89K49-S92 PolarHBondContact NZ-O 2.85Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.19Å; L88-S92 PolarHBondContact O-N 3.47Å; L88-S92 PolarHBondContact O-OG 2.96Å; L88-S92 VanDerWaalsContact O-OG 3.13Å; L89-S92 PolarHBondContact O-OG 3.39Å
93K80.3Confident82.5Confident135 Ų13551.2 Ų51.259%0.58727%0.272SS*.THydrogen-bonded Turntrans-81.6-0.7173-71.3-170.3172.6-167.20115.6L89 W91 Y95L89-K93 HydrophobicContact CD1-CD 4.31Å; L89-K93 WeakPolarHBondContact O-CB 3.39Å; L89-K93 WeakPolarHBondContact O-CG 3.48Å; L89-K93 PolarHBondContact O-N 3.23Å; W91-K93 VanDerWaalsContact C-N 3.25Å; W91-K93 PolarHBondContact O-N 2.96Å; K93-Y95 HydrophobicContact CB-CD2 3.68Å; K93-Y95 HydrophobicContact CB-CE2 3.64Å; K93-Y95 HydrophobicContact CD-CE2 3.96Å; K93-Y95 HydrophobicContact CG-CE2 4.46Å
94G73.3Confident83.2Confident30 Ų3047.5 Ų47.531%0.30926%0.255SS..THydrogen-bonded Turntrans73.921178.300000115.1L90 W91 I96 N97L90-G94 PolarHBondContact O-N 3.17Å; W91-G94 PolarHBondContact O-N 3.31Å; G94-I96 VanDerWaalsContact C-N 3.25Å; G94-N97 PolarHBondContact O-OD1 3.1Å
95Y78.6Confident83.3Confident172 Ų17249.3 Ų49.368%0.67528%0.276SS*.SBendtrans-82-7.9166.2-59.7-67.4000112.3L90 K93L90-Y95 HydrophobicContact CD2-CD2 3.78Å; L90-Y95 HydrophobicContact CD2-CG 4.22Å; L90-Y95 WeakPolarHBondContact O-CB 3.48Å; L90-Y95 PolarHBondContact O-N 2.97Å; K93-Y95 HydrophobicContact CB-CD2 3.68Å; K93-Y95 HydrophobicContact CB-CE2 3.64Å; K93-Y95 HydrophobicContact CD-CE2 3.96Å; K93-Y95 HydrophobicContact CG-CE2 4.46Å
96I81Confident83.7Confident30 Ų3046.7 Ų46.715%0.15425%0.249CC..  trans-137112.1176.9-56.6174.7000107.6I75 L90 W91 G94 Q98I75-I96 HydrophobicContact CD1-CD1 4.08Å; I75-I96 HydrophobicContact CD1-CG2 3.54Å; I75-I96 HydrophobicContact CG1-CG2 4.2Å; L90-I96 HydrophobicContact CB-CD1 3.64Å; L90-I96 HydrophobicContact CB-CG1 4.01Å; L90-I96 HydrophobicContact CD1-CD1 4.45Å; L90-I96 PolarHBondContact O-N 2.62Å; W91-I96 HydrophobicContact CB-CB 4.32Å; G94-I96 VanDerWaalsContact C-N 3.25Å; I96-Q98 HydrophobicContact CG2-CB 4.29Å
97N76.6Confident83.8Confident56 Ų5641.6 Ų41.630%0.29923%0.226SC..  trans-101.20.8-177-54.6-19.7000113.1A45 N46 G94A45-N97 WeakPolarHBondContact O-CB 3.29Å; N46-N97 PolarHBondContact OD1-ND2 3.29Å; G94-N97 PolarHBondContact O-OD1 3.1Å
98Q85.7Confident83.6Confident79 Ų7945.8 Ų45.837%0.36924%0.243SC..SBendtrans-68.6144.3174.8-67.8-179.8800110.9N73 I75 W91 I96N73-Q98 HydrophobicContact CB-CG 4.36Å; I75-Q98 HydrophobicContact CG1-CB 4.16Å; I75-Q98 VanDerWaalsContact CG1-OE1 3.31Å; W91-Q98 PolarHBondContact NE1-O 3.17Å; I96-Q98 HydrophobicContact CG2-CB 4.29Å
99A88.1Confident83.2Confident11 Ų1148.9 Ų48.99%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-63.9139.6176.700000111.5L40 T50 L52 T74 I75L40-A99 HydrophobicContact CD2-CB 3.87Å; T50-A99 HydrophobicContact CG2-CB 4.28Å; T50-A99 WeakPolarHBondContact O-CA 3.37Å; L52-A99 HydrophobicContact CD1-CB 3.62Å; T74-A99 WeakPolarHBondContact CA-O 3.47Å; T74-A99 HydrophobicContact CG2-CB 4.3Å; I75-A99 PolarHBondContact N-O 2.9Å
100L90.3Very high83Confident0 Ų044.6 Ų44.60%023%0.234CC..EExtended strand (participates in β ladder)trans-99.7109.5-171.3-175.769.4000111T50 I51 L52 I75 L77 L88 W91 L102 L110T50-L100 PolarHBondContact O-N 3.42Å; I51-L100 CarbonylContact C-O 3.54Å; I51-L100 WeakPolarHBondContact CA-O 3.5Å; L52-L100 PolarHBondContact N-O 3.42Å; I75-L100 HydrophobicContact CB-CD1 4.38Å; I75-L100 HydrophobicContact CG2-CD1 4.14Å; I75-L100 CarbonylContact O-C 3.55Å; I75-L100 WeakPolarHBondContact O-CA 3.46Å; L77-L100 HydrophobicContact CB-CD1 4.16Å; L77-L100 HydrophobicContact CD1-CD1 4.29Å; L88-L100 HydrophobicContact CD2-CD2 3.85Å; W91-L100 HydrophobicContact CD2-CB 4.34Å; W91-L100 HydrophobicContact CD2-CD2 4.12Å; W91-L100 HydrophobicContact CE3-CD2 4.16Å; W91-L100 HydrophobicContact CZ2-CB 3.89Å; W91-L100 HydrophobicContact CZ3-CD2 4.41Å; L100-L102 HydrophobicContact CD2-CD2 4.27Å; L100-L110 HydrophobicContact CD2-CD2 4.41Å
101I91.6Very high82.5Confident0 Ų042.8 Ų42.80%024%0.235CC..EExtended strand (participates in β ladder)trans-86.9131.9173.4-51.3171000110L52 A60 L63 K64 L67 T74 I75 L76 L77L52-I101 HydrophobicContact CB-CB 4.27Å; L52-I101 HydrophobicContact CB-CG1 3.85Å; L52-I101 HydrophobicContact CB-CG2 4.43Å; L52-I101 HydrophobicContact CD1-CD1 4.43Å; L52-I101 HydrophobicContact CD1-CG1 3.62Å; L52-I101 HydrophobicContact CG-CG1 4.36Å; L52-I101 WeakPolarHBondContact O-CA 3.47Å; A60-I101 HydrophobicContact CB-CG2 3.75Å; L63-I101 HydrophobicContact CD2-CD1 4.34Å; L63-I101 HydrophobicContact CD2-CG1 4.47Å; L63-I101 HydrophobicContact CD2-CG2 4.11Å; L63-I101 HydrophobicContact CG-CD1 4.24Å; K64-I101 HydrophobicContact CB-CD1 3.83Å; K64-I101 HydrophobicContact CG-CD1 4.18Å; L67-I101 HydrophobicContact CD1-CD1 4.36Å; T74-I101 HydrophobicContact CG2-CD1 4.17Å; T74-I101 HydrophobicContact CG2-CG1 4.45Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.39Å; I75-I101 PolarHBondContact O-N 3.16Å; L76-I101 WeakPolarHBondContact CA-O 3.22Å; L76-I101 HydrophobicContact CD1-CB 4.14Å; L76-I101 HydrophobicContact CD1-CG2 4Å; L77-I101 PolarHBondContact N-O 3.15Å
102L90.9Very high81.6Confident0 Ų048.3 Ų48.30%027%0.269CS..EExtended strand (participates in β ladder)trans-147.6163.1174.562.689000111.6I51 L52 I53 C54 L77 L100 M106 L107 L110I51-L102 HydrophobicContact CG2-CD2 3.72Å; I51-L102 HydrophobicContact CG2-CG 4.14Å; L52-L102 PolarHBondContact O-N 3.05Å; I53-L102 WeakPolarHBondContact CA-O 3.34Å; I53-L102 HydrophobicContact CG1-CD1 4.11Å; I53-L102 HydrophobicContact CG2-CD1 4.28Å; C54-L102 PolarHBondContact N-O 2.91Å; L77-L102 HydrophobicContact CB-CB 4.33Å; L100-L102 HydrophobicContact CD2-CD2 4.27Å; L102-M106 HydrophobicContact CB-CB 4.15Å; L102-L107 HydrophobicContact CD1-CD2 3.76Å; L102-L107 HydrophobicContact CD1-CG 4.39Å; L102-L110 HydrophobicContact CD2-CD1 3.94Å; L102-L110 HydrophobicContact CD2-CD2 3.72Å; L102-L110 HydrophobicContact CD2-CG 4.02Å
103C90.4Very high81.3Confident9 Ų947.1 Ų47.16%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-107.5166.4172.460.70000111.8C54 G105 M106C54-C103 CarbonylContact O-C 3.55Å; C54-C103 VanDerWaalsContact O-CA 3.26Å; C54-C103 WeakPolarHBondContact O-CA 3.4Å; C103-G105 PolarHBondContact O-N 3.19Å; C103-G105 VanDerWaalsContact O-N 3.12Å; C103-M106 WeakPolarHBondContact O-CB 3.11Å; C103-M106 PolarHBondContact O-N 2.85Å
104D85.8Confident81Confident35 Ų3548 Ų4819%0.18727%0.266CS..G310 helixtrans-50.9-40-177.7-74.3-36.5000113.9C54 Q55 M106 L107 R132C54-D104 PolarHBondContact O-N 3.36Å; C54-D104 VanDerWaalsContact O-N 3.17Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.46Å; D104-M106 PolarHBondContact O-N 2.96Å; D104-L107 HydrophobicContact CB-CD1 4.24Å; D104-L107 WeakPolarHBondContact O-CB 3.19Å; D104-L107 VanDerWaalsContact O-CG 3.28Å; D104-L107 WeakPolarHBondContact O-CG 3.4Å; D104-L107 PolarHBondContact O-N 3.46Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.18Å; D104-R132 IonicContact OD1-CZ 2.93Å; D104-R132 IonicContact OD1-NE 4Å; D104-R132 PolarHBondContact OD1-NE 3.39Å; D104-R132 IonicContact OD1-NH2 2.69Å; D104-R132 PolarHBondContact OD1-NH2 3.3Å; D104-R132 IonicContact OD2-CZ 3.14Å; D104-R132 IonicContact OD2-NE 3.75Å; D104-R132 IonicContact OD2-NH2 3.47Å; D104-R132 PolarHBondContact OD2-NH2 2.82Å
105G82.3Confident81.3Confident51 Ų5146.9 Ų46.953%0.52625%0.254SS..G310 helixtrans-652.8175.100000116.1C103C103-G105 PolarHBondContact O-N 3.19Å; C103-G105 VanDerWaalsContact O-N 3.12Å
106M85Confident81.5Confident0 Ų042.2 Ų42.20%024%0.241CC..G310 helixtrans-112.90.6173.2-63.4-55.6-67.800113.2L77 P79 V84 L102 C103 D104 H109 L110L77-M106 HydrophobicContact CD2-CB 4.47Å; L77-M106 HydrophobicContact CD2-CE 3.83Å; L77-M106 HydrophobicContact CG-CE 4.14Å; P79-M106 VanDerWaalsContact CA-SD 3.58Å; P79-M106 HydrophobicContact CB-SD 4.07Å; V84-M106 HydrophobicContact CG1-CE 3.77Å; V84-M106 HydrophobicContact CG2-CE 3.97Å; L102-M106 HydrophobicContact CB-CB 4.15Å; C103-M106 WeakPolarHBondContact O-CB 3.11Å; C103-M106 PolarHBondContact O-N 2.85Å; D104-M106 PolarHBondContact O-N 2.96Å; M106-H109 HydrophobicContact CE-CB 4Å; M106-H109 WeakPolarHBondContact O-CB 3.23Å; M106-H109 PolarHBondContact O-N 3.03Å; M106-H109 VanDerWaalsContact O-N 3.1Å; M106-L110 PolarHBondContact O-N 3.46Å
107L83.2Confident81.7Confident5 Ų540.8 Ų40.83%0.02623%0.233CC..G310 helixtrans-66.2-39.4-178.5-66.3169.9000112.3I53 L102 D104 H109 L110 R132 W135 L136I53-L107 HydrophobicContact CD1-CD2 4.18Å; L102-L107 HydrophobicContact CD1-CD2 3.76Å; L102-L107 HydrophobicContact CD1-CG 4.39Å; D104-L107 HydrophobicContact CB-CD1 4.24Å; D104-L107 WeakPolarHBondContact O-CB 3.19Å; D104-L107 VanDerWaalsContact O-CG 3.28Å; D104-L107 WeakPolarHBondContact O-CG 3.4Å; D104-L107 PolarHBondContact O-N 3.46Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.18Å; L107-H109 PolarHBondContact O-N 3.33Å; L107-L110 HydrophobicContact CD2-CD1 3.87Å; L107-L110 PolarHBondContact O-N 3.41Å; L107-R132 HydrophobicContact CD1-CB 3.93Å; L107-R132 HydrophobicContact CD1-CG 3.77Å; L107-W135 HydrophobicContact CB-CB 3.97Å; L107-W135 HydrophobicContact CB-CG 4.05Å; L107-L136 HydrophobicContact CD2-CD2 4.49Å
108E78.3Confident82.3Confident123 Ų12338.1 Ų38.158%0.57522%0.219SC*.G310 helixtrans-59.3-26.2172.871-179.1175.600112.8W135E108-W135 HydrophobicContact CB-CH2 3.96Å; E108-W135 HydrophobicContact CB-CZ2 4.05Å; E108-W135 HydrophobicContact CB-CZ3 4.3Å
109H76.3Confident82.5Confident77 Ų7734.4 Ų34.436%0.35620%0.202SC..G310 helixtrans-85.3-14-176.9-71.379.6000113.2L88 M106 L107 G111L88-H109 WeakPolarHBondContact CD1-O 3.43Å; M106-H109 HydrophobicContact CE-CB 4Å; M106-H109 WeakPolarHBondContact O-CB 3.23Å; M106-H109 PolarHBondContact O-N 3.03Å; M106-H109 VanDerWaalsContact O-N 3.1Å; L107-H109 PolarHBondContact O-N 3.33Å; H109-G111 VanDerWaalsContact C-N 3.3Å; H109-G111 PolarHBondContact O-N 3.13Å
110L76.1Confident82.6Confident6 Ų633.9 Ų33.93%0.03120%0.197CC..  trans-64.3-31.9-177.6-83.2164.5000113.2I51 L88 L100 L102 M106 L107 V112 V113I51-L110 HydrophobicContact CD1-CD2 4.16Å; L88-L110 HydrophobicContact CD2-CD2 4.13Å; L100-L110 HydrophobicContact CD2-CD2 4.41Å; L102-L110 HydrophobicContact CD2-CD1 3.94Å; L102-L110 HydrophobicContact CD2-CD2 3.72Å; L102-L110 HydrophobicContact CD2-CG 4.02Å; M106-L110 PolarHBondContact O-N 3.46Å; L107-L110 HydrophobicContact CD2-CD1 3.87Å; L107-L110 PolarHBondContact O-N 3.41Å; L110-V112 PolarHBondContact O-N 3.38Å; L110-V113 HydrophobicContact CD2-CG2 4.01Å; L110-V113 WeakPolarHBondContact O-CG1 3.31Å
111G71.4Confident82.4Confident42 Ų4234.9 Ų34.943%0.43320%0.204SC..  trans65.3-128.9-173.100000111.5H109 S139H109-G111 VanDerWaalsContact C-N 3.3Å; H109-G111 PolarHBondContact O-N 3.13Å; G111-S139 VanDerWaalsContact O-CA 3.26Å; G111-S139 WeakPolarHBondContact O-CA 3.38Å; G111-S139 VanDerWaalsContact O-CB 3.24Å; G111-S139 WeakPolarHBondContact O-CB 3.45Å; G111-S139 PolarHBondContact O-OG 2.9Å
112V68.5Low82.1Confident119 Ų11937 Ų3772%0.72122%0.216SC*.SBendtrans-117.2119.4172-178.80000108.4L110L110-V112 PolarHBondContact O-N 3.38Å
113V74.8Confident81.6Confident9 Ų940.3 Ų40.36%0.05523%0.234CC..  trans-139.6128.8-177.7-70.60000111.5I51 W91 L110 A115 S139I51-V113 HydrophobicContact CD1-CG2 4.28Å; W91-V113 HydrophobicContact CZ3-CB 4.24Å; W91-V113 HydrophobicContact CZ3-CG2 4.38Å; L110-V113 HydrophobicContact CD2-CG2 4.01Å; L110-V113 WeakPolarHBondContact O-CG1 3.31Å; V113-A115 PolarHBondContact O-N 3.37Å; V113-A115 VanDerWaalsContact O-N 3.12Å; V113-S139 CarbonylContact C-O 3.58Å; V113-S139 PolarHBondContact N-O 2.81Å
114E72.1Confident81Confident155 Ų15540.6 Ų40.672%0.72424%0.235SC*.  trans-70.2111.8170.8-66176157.900109.1K49K49-E114 WeakPolarHBondContact CD-O 3.48Å
115A80.6Confident80.6Confident6 Ų645 Ų455%0.0526%0.255CS..  trans-121.1135.317200000108.6K49 I51 W91 V113 A140 A143K49-A115 CarbonylContact O-C 3.55Å; K49-A115 WeakPolarHBondContact O-CA 3.35Å; I51-A115 HydrophobicContact CD1-CB 3.7Å; I51-A115 HydrophobicContact CG1-CB 3.95Å; W91-A115 HydrophobicContact CH2-CB 4.27Å; V113-A115 PolarHBondContact O-N 3.37Å; V113-A115 VanDerWaalsContact O-N 3.12Å; A115-A140 HydrophobicContact CB-CB 4.22Å; A115-A143 VanDerWaalsContact O-CB 3.26Å; A115-A143 WeakPolarHBondContact O-CB 3.4Å
116N82.9Confident80.3Confident74 Ų7448.1 Ų48.140%0.39626%0.259SS..SBendtrans-86.5-32.2-179.1-56.990.2000111.4E48 K49 E144E48-N116 HydrophobicContact CB-CB 4.19Å; E48-N116 HydrophobicContact CG-CB 4.34Å; K49-N116 PolarHBondContact N-OD1 3.37Å; K49-N116 PolarHBondContact O-N 3.33Å; N116-E144 PolarHBondContact O-N 3.46Å
117L85.1Confident79.7Confident0 Ų054.1 Ų54.10%029%0.291CS..EExtended strand (participates in β ladder)trans-138.3132.6-177.8-179.368.8000110.1K49 T50 I51 I119 E144 L146K49-L117 PolarHBondContact O-N 2.91Å; T50-L117 CarbonylContact C-O 3.59Å; T50-L117 WeakPolarHBondContact CA-O 3.34Å; T50-L117 HydrophobicContact CG2-CB 4.21Å; T50-L117 HydrophobicContact CG2-CD2 3.86Å; T50-L117 HydrophobicContact CG2-CG 4.15Å; I51-L117 PolarHBondContact N-O 3.38Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.74Å; L117-I119 HydrophobicContact CD2-CG1 3.79Å; L117-I119 HydrophobicContact CG-CD1 4.34Å; L117-I119 HydrophobicContact CG-CG1 3.81Å; L117-E144 WeakPolarHBondContact CA-O 3.28Å; L117-E144 HydrophobicContact CD1-CB 4.06Å; L117-E144 HydrophobicContact CD1-CG 4.19Å; L117-L146 HydrophobicContact CD1-CB 4.07Å
118V88.6Confident79.4Confident0 Ų058.7 Ų58.70%031%0.311CS..EExtended strand (participates in β ladder)trans-118.2119.9169.5176.10000108.2I51 I53 L136 A140 A143 E144 M145 L146I51-V118 HydrophobicContact CB-CG2 4.36Å; I53-V118 HydrophobicContact CD1-CG1 3.45Å; I53-V118 VanDerWaalsContact CD1-CG1 3.45Å; I53-V118 HydrophobicContact CG1-CG1 4.12Å; V118-L136 HydrophobicContact CG1-CD1 4.1Å; V118-L136 HydrophobicContact CG1-CD2 4.34Å; V118-L136 HydrophobicContact CG2-CD2 4.4Å; V118-A140 HydrophobicContact CG2-CB 4.24Å; V118-A143 HydrophobicContact CG2-CB 3.87Å; V118-E144 PolarHBondContact N-O 3.23Å; V118-M145 HydrophobicContact CB-CE 4.44Å; V118-M145 HydrophobicContact CB-SD 3.68Å; V118-M145 HydrophobicContact CG1-SD 3.99Å; V118-M145 HydrophobicContact CG2-CE 4.39Å; V118-M145 HydrophobicContact CG2-SD 4.26Å; V118-L146 PolarHBondContact O-N 2.83Å
119I90.4Very high79.6Confident0 Ų054 Ų540%029%0.288CS..EExtended strand (participates in β ladder)trans-106.6112.9179.8-47.7-178000109.4L36 L40 T50 I51 L52 I53 L117 T121 L146 I148L36-I119 HydrophobicContact CD1-CD1 3.61Å; L36-I119 HydrophobicContact CD1-CG2 3.91Å; L40-I119 HydrophobicContact CD2-CD1 4.21Å; T50-I119 HydrophobicContact CG2-CD1 3.87Å; T50-I119 HydrophobicContact CG2-CG1 4.06Å; I51-I119 PolarHBondContact O-N 2.85Å; L52-I119 HydrophobicContact CD2-CB 4.05Å; L52-I119 HydrophobicContact CD2-CD1 3.99Å; L52-I119 HydrophobicContact CD2-CG1 4.45Å; L52-I119 HydrophobicContact CD2-CG2 4.43Å; I53-I119 PolarHBondContact N-O 3.23Å; L117-I119 HydrophobicContact CD1-CG1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 3.74Å; L117-I119 HydrophobicContact CD2-CG1 3.79Å; L117-I119 HydrophobicContact CG-CD1 4.34Å; L117-I119 HydrophobicContact CG-CG1 3.81Å; I119-T121 HydrophobicContact CG2-CG2 4Å; I119-T121 PolarHBondContact O-N 2.88Å; I119-L146 CarbonylContact C-O 3.5Å; I119-L146 VanDerWaalsContact CA-O 3.3Å; I119-L146 WeakPolarHBondContact CA-O 3.4Å; I119-L146 HydrophobicContact CD1-CD2 4.18Å; I119-L146 HydrophobicContact CG1-CB 4.28Å; I119-L146 HydrophobicContact CG1-CD2 4.16Å; I119-L146 HydrophobicContact CG2-CB 4.39Å; I119-L146 HydrophobicContact CG2-CD2 4.1Å; I119-L146 HydrophobicContact CG2-CG 4.21Å; I119-I148 HydrophobicContact CG2-CD1 4.08Å; I119-I148 HydrophobicContact CG2-CG1 4.29Å
120H90.7Very high79.8Confident0 Ų055.7 Ų55.70%030%0.296CS..EExtended strand (participates in β ladder)trans-81.2107.9168.6-56.8-68.6000108.9L123 R132 L146 V147 I148H120-L123 HydrophobicContact CB-CD2 4.45Å; H120-R132 WeakPolarHBondContact ND1-CD 3.3Å; H120-R132 PolarHBondContact ND1-NH1 3.03Å; H120-L146 PolarHBondContact N-O 3.2Å; H120-V147 HydrophobicContact CB-CG2 4.33Å; H120-I148 PolarHBondContact O-N 3.22Å
121T86.4Confident80Confident22 Ų2260.6 Ų60.614%0.13532%0.319CS..SBendtrans-92.5-21.2-178.159.40000113.1L36 L52 I53 C54 L63 I119L36-T121 HydrophobicContact CD2-CG2 4.03Å; L52-T121 HydrophobicContact CD2-CG2 4.01Å; I53-T121 PolarHBondContact O-N 3.17Å; I53-T121 PolarHBondContact O-OG1 3.07Å; C54-T121 PolarHBondContact SG-OG1 2.94Å; L63-T121 HydrophobicContact CD2-CG2 3.88Å; I119-T121 HydrophobicContact CG2-CG2 4Å; I119-T121 PolarHBondContact O-N 2.88Å
122T83.5Confident80.8Confident44 Ų4458.6 Ų58.627%0.2730%0.299SS..SBendtrans-137.7140.616550.10000109.7C54 Q55 E59 R132C54-T122 WeakPolarHBondContact CA-OG1 3.3Å; Q55-T122 PolarHBondContact N-OG1 3.47Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.47Å; E59-T122 PolarHBondContact OE2-OG1 3.25Å; T122-R132 PolarHBondContact O-NH1 3.32Å; T122-R132 PolarHBondContact O-NH2 3.02Å
123L80.8Confident81.5Confident69 Ų6955.2 Ų55.236%0.36128%0.276SS..PPolyproline II helixtrans-98.4128.5178.4-74.7175.1000110.4H120 F129 V147 T149H120-L123 HydrophobicContact CB-CD2 4.45Å; L123-F129 HydrophobicContact CD2-CD2 3.98Å; L123-F129 HydrophobicContact CD2-CE2 3.66Å; L123-F129 HydrophobicContact CD2-CZ 4.13Å; L123-V147 HydrophobicContact CD1-CG1 3.75Å; L123-V147 HydrophobicContact CD2-CG1 3.78Å; L123-V147 HydrophobicContact CG-CG1 3.94Å; L123-T149 HydrophobicContact CD1-CG2 4.28Å
124P78.7Confident81.8Confident15 Ų1561.7 Ų61.710%0.09730%0.304CS..PPolyproline II helixtrans-88.5173.1171.438.4-34.9000110.9Q55 K128 F129Q55-P124 HydrophobicContact CG-CB 4.31Å; P124-K128 HydrophobicContact CB-CB 3.91Å; P124-K128 HydrophobicContact CG-CB 4.13Å; P124-F129 HydrophobicContact CG-CB 4.01Å; P124-F129 HydrophobicContact CG-CD2 4.39Å
125E77.8Confident82.2Confident128 Ų12858.4 Ų58.460%0.59829%0.285SS*.PPolyproline II helixtrans-52.3147.9171-60.3152.7151.500111.8N127 K128 F129E125-N127 VanDerWaalsContact C-N 3.34Å; E125-N127 PolarHBondContact O-N 2.94Å; E125-N127 VanDerWaalsContact O-N 3.13Å; E125-K128 WeakPolarHBondContact O-CA 3.27Å; E125-K128 WeakPolarHBondContact O-CB 3.43Å; E125-K128 PolarHBondContact O-N 3.36Å; E125-K128 WeakPolarHBondContact OE2-CE 3.39Å; E125-K128 IonicContact OE2-NZ 2.67Å; E125-K128 PolarHBondContact OE2-NZ 3.17Å; E125-F129 PolarHBondContact O-N 3.35Å
126L74.3Confident82.2Confident116 Ų11658.2 Ų58.261%0.60728%0.283SS*.Hα-helixtrans-46.4-50.7-170.3-17663.9000113.6K128 F129 E130L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 2.95Å; L126-F129 CarbonylContact O-C 3.57Å; L126-F129 WeakPolarHBondContact O-CA 3.42Å; L126-F129 WeakPolarHBondContact O-CB 3.35Å; L126-F129 PolarHBondContact O-N 3.17Å; L126-E130 PolarHBondContact O-N 3.28Å
127N73.9Confident81.8Confident127 Ų12758.1 Ų58.168%0.67929%0.288SS*.Hα-helixtrans-58.9-36.1-178.9-56.11.8000112.9E125 E131E125-N127 VanDerWaalsContact C-N 3.34Å; E125-N127 PolarHBondContact O-N 2.94Å; E125-N127 VanDerWaalsContact O-N 3.13Å; N127-E131 PolarHBondContact O-N 3.06Å; N127-E131 VanDerWaalsContact O-N 3.12Å
128K76.9Confident81.1Confident101 Ų10161.9 Ų61.944%0.43931%0.307SS..Hα-helixtrans-79.8-28.8176.3-70.7169-176.1153.90111.6P124 E125 L126 R132P124-K128 HydrophobicContact CB-CB 3.91Å; P124-K128 HydrophobicContact CG-CB 4.13Å; E125-K128 WeakPolarHBondContact O-CA 3.27Å; E125-K128 WeakPolarHBondContact O-CB 3.43Å; E125-K128 PolarHBondContact O-N 3.36Å; E125-K128 WeakPolarHBondContact OE2-CE 3.39Å; E125-K128 IonicContact OE2-NZ 2.67Å; E125-K128 PolarHBondContact OE2-NZ 3.17Å; L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 2.95Å; K128-R132 WeakPolarHBondContact O-CB 3.42Å; K128-R132 PolarHBondContact O-N 2.84Å
129F82.5Confident80.1Confident23 Ų2362 Ų6210%0.10131%0.308CS..Hα-helixtrans-69.2-40.4171.8-170.5-117.4000111.1F21 L123 P124 E125 L126 R132 L133F21-F129 HydrophobicContact CE1-CZ 4.34Å; L123-F129 HydrophobicContact CD2-CD2 3.98Å; L123-F129 HydrophobicContact CD2-CE2 3.66Å; L123-F129 HydrophobicContact CD2-CZ 4.13Å; P124-F129 HydrophobicContact CG-CB 4.01Å; P124-F129 HydrophobicContact CG-CD2 4.39Å; E125-F129 PolarHBondContact O-N 3.35Å; L126-F129 CarbonylContact O-C 3.57Å; L126-F129 WeakPolarHBondContact O-CA 3.42Å; L126-F129 WeakPolarHBondContact O-CB 3.35Å; L126-F129 PolarHBondContact O-N 3.17Å; F129-R132 WeakPolarHBondContact O-CB 3.48Å; F129-R132 PolarHBondContact O-N 2.85Å; F129-L133 HydrophobicContact CD1-CD1 4.04Å; F129-L133 HydrophobicContact CD1-CG 4.46Å; F129-L133 HydrophobicContact CE1-CD1 3.7Å; F129-L133 HydrophobicContact CE1-CG 4.22Å; F129-L133 HydrophobicContact CZ-CD1 4.15Å; F129-L133 HydrophobicContact CZ-CD2 4.23Å; F129-L133 HydrophobicContact CZ-CG 4.26Å; F129-L133 VanDerWaalsContact O-CG 3.32Å; F129-L133 WeakPolarHBondContact O-CG 3.43Å; F129-L133 PolarHBondContact O-N 2.85Å
130E79.9Confident79Confident113 Ų11362.1 Ų62.153%0.52831%0.309SS..Hα-helixtrans-62-42.4171.3-71.2-179.8-17900112L126 L133 K134L126-E130 PolarHBondContact O-N 3.28Å; E130-L133 PolarHBondContact O-N 3.43Å; E130-K134 WeakPolarHBondContact O-CB 3.49Å; E130-K134 PolarHBondContact O-N 3.24Å
131E79.8Confident77.8Confident109 Ų10971.3 Ų71.351%0.50934%0.344SS..Hα-helixtrans-61.3-45.5172.5-169.8-177.3178.300111.8N127 L133 K134 W135N127-E131 PolarHBondContact O-N 3.06Å; N127-E131 VanDerWaalsContact O-N 3.12Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 3.25Å; E131-K134 WeakPolarHBondContact O-CB 3.35Å; E131-K134 PolarHBondContact O-N 2.68Å; E131-W135 VanDerWaalsContact O-CD1 3.22Å; E131-W135 PolarHBondContact O-N 3.45Å
132R87.8Confident76.8Confident1 Ų178.3 Ų78.30%0.00438%0.38CS..Hα-helixtrans-56.8-45.3174.5175-169.3-69.6-173.9-5.3111.5D104 L107 H120 T122 K128 F129 W135 L136D104-R132 IonicContact OD1-CZ 2.93Å; D104-R132 IonicContact OD1-NE 4Å; D104-R132 PolarHBondContact OD1-NE 3.39Å; D104-R132 IonicContact OD1-NH2 2.69Å; D104-R132 PolarHBondContact OD1-NH2 3.3Å; D104-R132 IonicContact OD2-CZ 3.14Å; D104-R132 IonicContact OD2-NE 3.75Å; D104-R132 IonicContact OD2-NH2 3.47Å; D104-R132 PolarHBondContact OD2-NH2 2.82Å; L107-R132 HydrophobicContact CD1-CB 3.93Å; L107-R132 HydrophobicContact CD1-CG 3.77Å; H120-R132 WeakPolarHBondContact ND1-CD 3.3Å; H120-R132 PolarHBondContact ND1-NH1 3.03Å; T122-R132 PolarHBondContact O-NH1 3.32Å; T122-R132 PolarHBondContact O-NH2 3.02Å; K128-R132 WeakPolarHBondContact O-CB 3.42Å; K128-R132 PolarHBondContact O-N 2.84Å; F129-R132 WeakPolarHBondContact O-CB 3.48Å; F129-R132 PolarHBondContact O-N 2.85Å; R132-W135 PolarHBondContact O-N 3.22Å; R132-L136 HydrophobicContact CG-CD1 3.93Å; R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.21Å; R132-L136 PolarHBondContact O-N 3.34Å
133L83.4Confident76.6Confident47 Ų4776.5 Ų76.525%0.24637%0.37CS..Hα-helixtrans-67.1-37177.7-70.1-177.7000112.4F21 F129 E130 E131 L136 S137F21-L133 HydrophobicContact CE1-CD1 4.49Å; F21-L133 HydrophobicContact CE1-CD2 3.77Å; F21-L133 HydrophobicContact CZ-CD1 4.01Å; F21-L133 HydrophobicContact CZ-CD2 3.68Å; F129-L133 HydrophobicContact CD1-CD1 4.04Å; F129-L133 HydrophobicContact CD1-CG 4.46Å; F129-L133 HydrophobicContact CE1-CD1 3.7Å; F129-L133 HydrophobicContact CE1-CG 4.22Å; F129-L133 HydrophobicContact CZ-CD1 4.15Å; F129-L133 HydrophobicContact CZ-CD2 4.23Å; F129-L133 HydrophobicContact CZ-CG 4.26Å; F129-L133 VanDerWaalsContact O-CG 3.32Å; F129-L133 WeakPolarHBondContact O-CG 3.43Å; F129-L133 PolarHBondContact O-N 2.85Å; E130-L133 PolarHBondContact O-N 3.43Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 3.25Å; L133-L136 PolarHBondContact O-N 3.07Å; L133-S137 WeakPolarHBondContact O-CB 3.31Å; L133-S137 PolarHBondContact O-N 3.21Å
134K80.8Confident76.6Confident146 Ų14675.9 Ų75.964%0.63537%0.365SS*.Hα-helixtrans-59-48.7173.1-175.5-179.6177.9-177.20111.3E130 E131 S137 I138E130-K134 WeakPolarHBondContact O-CB 3.49Å; E130-K134 PolarHBondContact O-N 3.24Å; E131-K134 WeakPolarHBondContact O-CB 3.35Å; E131-K134 PolarHBondContact O-N 2.68Å; K134-S137 PolarHBondContact O-N 3.16Å; K134-S137 PolarHBondContact O-OG 3.32Å; K134-I138 PolarHBondContact O-N 3.35Å
135W80.9Confident77Confident86 Ų8675.6 Ų75.633%0.32636%0.362SS..Hα-helixtrans-60-45.2173.4-74.1112.1000111.9L107 E108 E131 R132 S137 I138 S139L107-W135 HydrophobicContact CB-CB 3.97Å; L107-W135 HydrophobicContact CB-CG 4.05Å; E108-W135 HydrophobicContact CB-CH2 3.96Å; E108-W135 HydrophobicContact CB-CZ2 4.05Å; E108-W135 HydrophobicContact CB-CZ3 4.3Å; E131-W135 VanDerWaalsContact O-CD1 3.22Å; E131-W135 PolarHBondContact O-N 3.45Å; R132-W135 PolarHBondContact O-N 3.22Å; W135-S137 VanDerWaalsContact C-N 3.34Å; W135-S137 PolarHBondContact O-N 3.08Å; W135-I138 WeakPolarHBondContact O-CB 3.3Å; W135-I138 PolarHBondContact O-N 3.02Å; W135-I138 VanDerWaalsContact O-N 3.11Å; W135-S139 WeakPolarHBondContact O-CB 3.21Å; W135-S139 PolarHBondContact O-N 2.96Å; W135-S139 PolarHBondContact O-OG 3.26Å; W135-S139 VanDerWaalsContact O-OG 3.13Å
136L81.1Confident77.4Confident2 Ų270.1 Ų70.11%0.0134%0.337CS..Hα-helixtrans-66.6-30.3179.1-68.4166.6000113.9I53 L107 V118 R132 L133 I138 S139 A140 M145I53-L136 HydrophobicContact CD1-CD1 3.74Å; I53-L136 HydrophobicContact CD1-CD2 3.91Å; I53-L136 HydrophobicContact CD1-CG 4.34Å; L107-L136 HydrophobicContact CD2-CD2 4.49Å; V118-L136 HydrophobicContact CG1-CD1 4.1Å; V118-L136 HydrophobicContact CG1-CD2 4.34Å; V118-L136 HydrophobicContact CG2-CD2 4.4Å; R132-L136 HydrophobicContact CG-CD1 3.93Å; R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.21Å; R132-L136 PolarHBondContact O-N 3.34Å; L133-L136 PolarHBondContact O-N 3.07Å; L136-I138 PolarHBondContact O-N 3.15Å; L136-S139 PolarHBondContact O-N 3.42Å; L136-A140 HydrophobicContact CD2-CB 4.21Å; L136-A140 CarbonylContact O-C 3.58Å; L136-A140 WeakPolarHBondContact O-CA 3.49Å; L136-A140 PolarHBondContact O-N 3.16Å; L136-M145 HydrophobicContact CB-CE 4.46Å
137S74.1Confident78.1Confident72 Ų7264.6 Ų64.650%0.50331%0.308SS..Hα-helixtrans-64.7-26.9173.179.10000113.3L133 K134 W135 R141L133-S137 WeakPolarHBondContact O-CB 3.31Å; L133-S137 PolarHBondContact O-N 3.21Å; K134-S137 PolarHBondContact O-N 3.16Å; K134-S137 PolarHBondContact O-OG 3.32Å; W135-S137 VanDerWaalsContact C-N 3.34Å; W135-S137 PolarHBondContact O-N 3.08Å; S137-R141 WeakPolarHBondContact O-CG 3.48Å
138I70.7Confident78.6Confident79 Ų7958.9 Ų58.941%0.40528%0.278SS..Hα-helixtrans-82.6-48.1172.8-60.6166.7000109K134 W135 L136K134-I138 PolarHBondContact O-N 3.35Å; W135-I138 WeakPolarHBondContact O-CB 3.3Å; W135-I138 PolarHBondContact O-N 3.02Å; W135-I138 VanDerWaalsContact O-N 3.11Å; L136-I138 PolarHBondContact O-N 3.15Å
139S68.3Low78.5Confident3 Ų355.6 Ų55.62%0.02127%0.266CS..Hα-helixtrans-85.5-34.7-165.6-61.10000115.7G111 V113 W135 L136G111-S139 VanDerWaalsContact O-CA 3.26Å; G111-S139 WeakPolarHBondContact O-CA 3.38Å; G111-S139 VanDerWaalsContact O-CB 3.24Å; G111-S139 WeakPolarHBondContact O-CB 3.45Å; G111-S139 PolarHBondContact O-OG 2.9Å; V113-S139 CarbonylContact C-O 3.58Å; V113-S139 PolarHBondContact N-O 2.81Å; W135-S139 WeakPolarHBondContact O-CB 3.21Å; W135-S139 PolarHBondContact O-N 2.96Å; W135-S139 PolarHBondContact O-OG 3.26Å; W135-S139 VanDerWaalsContact O-OG 3.13Å; L136-S139 PolarHBondContact O-N 3.42Å
140A67.6Low77.4Confident2 Ų257.6 Ų57.62%0.01728%0.281CS..SBendtrans-138.560.6-165.900000111.6A115 V118 L136 A143A115-A140 HydrophobicContact CB-CB 4.22Å; V118-A140 HydrophobicContact CG2-CB 4.24Å; L136-A140 HydrophobicContact CD2-CB 4.21Å; L136-A140 CarbonylContact O-C 3.58Å; L136-A140 WeakPolarHBondContact O-CA 3.49Å; L136-A140 PolarHBondContact O-N 3.16Å; A140-A143 HydrophobicContact CB-CB 4.48Å
141R63.9Low75.9Confident193 Ų19355.3 Ų55.373%0.72828%0.277SS*.THydrogen-bonded Turntrans-61.9136.3-177.5-67.6-177.4176.9-175.40.5111.8S137 A143S137-R141 WeakPolarHBondContact O-CG 3.48Å; R141-A143 PolarHBondContact O-N 2.8Å
142N67.1Low74.1Confident168 Ų16854.1 Ų54.190%0.89828%0.275SS*.THydrogen-bonded Turntrans63.814.2177.2-51-17.6000116
143A77.7Confident71.7Confident6 Ų660.7 Ų60.75%0.0531%0.305CS..PPolyproline II helixtrans-64.4144.217200000111.8A115 V118 A140 R141 M145A115-A143 VanDerWaalsContact O-CB 3.26Å; A115-A143 WeakPolarHBondContact O-CB 3.4Å; V118-A143 HydrophobicContact CG2-CB 3.87Å; A140-A143 HydrophobicContact CB-CB 4.48Å; R141-A143 PolarHBondContact O-N 2.8Å; A143-M145 HydrophobicContact CB-CE 4.26Å
144E82.4Confident69.4Low56 Ų5665.7 Ų65.726%0.26233%0.327SS..EExtended strand (participates in β ladder)trans-67.9132.2163.8-176.9171.7-14800108.8K13 T22 R43 N116 L117 V118K13-E144 IonicContact NZ-OE1 2.74Å; K13-E144 PolarHBondContact NZ-OE1 3Å; T22-E144 PolarHBondContact OG1-OE1 3.14Å; R43-E144 IonicContact CZ-OE2 2.68Å; R43-E144 IonicContact NH2-OE2 2.69Å; R43-E144 PolarHBondContact NH2-OE2 3.06Å; N116-E144 PolarHBondContact O-N 3.46Å; L117-E144 WeakPolarHBondContact CA-O 3.28Å; L117-E144 HydrophobicContact CD1-CB 4.06Å; L117-E144 HydrophobicContact CD1-CG 4.19Å; V118-E144 PolarHBondContact N-O 3.23Å
145M86.1Confident66.9Low9 Ų964.7 Ų64.74%0.04433%0.329CS..EExtended strand (participates in β ladder)trans-99.5119.9176.7-59.7-72167.500109T19 T20 F21 T22 V118 L136 A143T19-M145 HydrophobicContact CG2-CB 4.44Å; T19-M145 HydrophobicContact CG2-CE 4.19Å; T19-M145 HydrophobicContact CG2-CG 3.45Å; T19-M145 VanDerWaalsContact CG2-CG 3.45Å; T20-M145 PolarHBondContact O-N 3.17Å; F21-M145 CarbonylContact C-O 3.43Å; F21-M145 WeakPolarHBondContact CA-O 3.38Å; F21-M145 HydrophobicContact CD1-CB 3.36Å; F21-M145 HydrophobicContact CD1-CG 3.94Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.62Å; F21-M145 HydrophobicContact CE1-SD 4.4Å; F21-M145 HydrophobicContact CG-CB 3.99Å; F21-M145 HydrophobicContact CZ-CB 4.39Å; F21-M145 HydrophobicContact CZ-CG 4.05Å; T22-M145 PolarHBondContact N-O 2.84Å; V118-M145 HydrophobicContact CB-CE 4.44Å; V118-M145 HydrophobicContact CB-SD 3.68Å; V118-M145 HydrophobicContact CG1-SD 3.99Å; V118-M145 HydrophobicContact CG2-CE 4.39Å; V118-M145 HydrophobicContact CG2-SD 4.26Å; L136-M145 HydrophobicContact CB-CE 4.46Å; A143-M145 HydrophobicContact CB-CE 4.26Å
146L86.9Confident64.4Low13 Ų1369.7 Ų69.77%0.06836%0.356CS..EExtended strand (participates in β ladder)trans-108.7123.6171.4177.262.3000108.8T22 A24 F35 T39 L117 V118 I119 H120T22-L146 HydrophobicContact CG2-CD1 4.15Å; T22-L146 CarbonylContact O-C 3.54Å; T22-L146 WeakPolarHBondContact O-CA 3.5Å; A24-L146 HydrophobicContact CB-CD1 4.14Å; F35-L146 HydrophobicContact CE1-CD2 4.39Å; T39-L146 HydrophobicContact CG2-CD2 4.26Å; L117-L146 HydrophobicContact CD1-CB 4.07Å; V118-L146 PolarHBondContact O-N 2.83Å; I119-L146 CarbonylContact C-O 3.5Å; I119-L146 VanDerWaalsContact CA-O 3.3Å; I119-L146 WeakPolarHBondContact CA-O 3.4Å; I119-L146 HydrophobicContact CD1-CD2 4.18Å; I119-L146 HydrophobicContact CG1-CB 4.28Å; I119-L146 HydrophobicContact CG1-CD2 4.16Å; I119-L146 HydrophobicContact CG2-CB 4.39Å; I119-L146 HydrophobicContact CG2-CD2 4.1Å; I119-L146 HydrophobicContact CG2-CG 4.21Å; H120-L146 PolarHBondContact N-O 3.2Å
147V87.3Confident62.3Low0 Ų076.3 Ų76.30%039%0.385CS..EExtended strand (participates in β ladder)trans-109.6118175.5178.40000108.2F21 T22 Y23 A24 H120 L123 T149F21-V147 HydrophobicContact CD1-CG2 4.16Å; T22-V147 PolarHBondContact O-N 3.41Å; Y23-V147 WeakPolarHBondContact CA-O 3.38Å; Y23-V147 HydrophobicContact CD1-CB 3.64Å; Y23-V147 HydrophobicContact CD1-CG1 3.61Å; Y23-V147 HydrophobicContact CD1-CG2 4.23Å; Y23-V147 HydrophobicContact CE1-CB 3.78Å; Y23-V147 HydrophobicContact CE1-CG1 3.63Å; Y23-V147 HydrophobicContact CE1-CG2 3.89Å; Y23-V147 HydrophobicContact CG-CB 4.2Å; A24-V147 PolarHBondContact N-O 2.66Å; H120-V147 HydrophobicContact CB-CG2 4.33Å; L123-V147 HydrophobicContact CD1-CG1 3.75Å; L123-V147 HydrophobicContact CD2-CG1 3.78Å; L123-V147 HydrophobicContact CG-CG1 3.94Å; V147-T149 HydrophobicContact CG1-CG2 4.34Å
148I85.8Confident60.3Low7 Ų782.1 Ų82.14%0.03640%0.404CS..EExtended strand (participates in β ladder)trans-91.4106.6169.3-62-179.9000107P26 F35 L36 I119 H120P26-I148 HydrophobicContact CG-CG2 4.05Å; F35-I148 HydrophobicContact CD1-CD1 4.19Å; F35-I148 HydrophobicContact CE1-CD1 4.41Å; F35-I148 HydrophobicContact CE1-CG1 4.47Å; L36-I148 HydrophobicContact CB-CD1 4.19Å; L36-I148 HydrophobicContact CD1-CD1 3.93Å; I119-I148 HydrophobicContact CG2-CD1 4.08Å; I119-I148 HydrophobicContact CG2-CG1 4.29Å; H120-I148 PolarHBondContact O-N 3.22Å
149T75.3Confident58.2Low32 Ų3282 Ų8220%0.19642%0.422CS..  trans-77.1123.4167.246.80000107.7Y23 A24 S25 P26 L123 V147 C151Y23-T149 HydrophobicContact CD1-CG2 4.21Å; A24-T149 PolarHBondContact O-N 3.1Å; A24-T149 PolarHBondContact O-OG1 2.98Å; A24-T149 VanDerWaalsContact O-OG1 3.11Å; S25-T149 WeakPolarHBondContact CA-OG1 3.47Å; S25-T149 PolarHBondContact OG-OG1 3.45Å; P26-T149 WeakPolarHBondContact CD-O 3.44Å; L123-T149 HydrophobicContact CD1-CG2 4.28Å; V147-T149 HydrophobicContact CG1-CG2 4.34Å; T149-C151 PolarHBondContact O-N 3.02Å
150P58.1Low56.3Low65 Ų6592.2 Ų92.242%0.42247%0.466SS..  trans-61.9136165.228.6-32.9000108.3D152P150-D152 PolarHBondContact O-N 2.97Å
151C48.2Very low54.3Low66 Ų6695.8 Ų95.845%0.44650%0.503SS..  trans-7983.9165.7-169.20000107.6P26 T149 E153P26-C151 WeakPolarHBondContact O-CB 3.43Å; T149-C151 PolarHBondContact O-N 3.02Å; C151-E153 PolarHBondContact O-N 3.25Å
152D42.8Very low52.7Low84 Ų8495.5 Ų95.545%0.44951%0.51SS..  trans-72110.5170.9-58.7-39.7000108P150 E154 N155P150-D152 PolarHBondContact O-N 2.97Å; D152-E154 PolarHBondContact O-N 3.15Å; D152-N155 PolarHBondContact O-N 3.19Å; D152-N155 VanDerWaalsContact O-N 3.14Å
153E37.8Very low50.7Low138 Ų13893.6 Ų93.665%0.64550%0.504SS*.THydrogen-bonded Turntrans-62.3-3.3179.6-66.1-170.1174.800113.8C151C151-E153 PolarHBondContact O-N 3.25Å
154E34.4Very low48.3Very low152 Ų152102.2 Ų102.271%0.7154%0.544SS*.THydrogen-bonded Turntrans-84.7-22.2177-59.5-173.4150.300113.3D152D152-E154 PolarHBondContact O-N 3.15Å
155N28.4Very low45.6Very low125 Ų125105.5 Ų105.567%0.66857%0.57SS**SBendtrans-95.8-1.7-165.8-82-42.4000116.8D152 K157D152-N155 PolarHBondContact O-N 3.19Å; D152-N155 VanDerWaalsContact O-N 3.14Å; N155-K157 VanDerWaalsContact C-N 3.28Å; N155-K157 PolarHBondContact O-N 3.13Å
156E29.3Very low42.6Very low191 Ų191114 Ų11489%0.89361%0.61SS**THydrogen-bonded Turntrans-85.117.1175.3-75.7-159146.100114.4
157K35.9Very low39.7Very low141 Ų141121 Ų12161%0.61365%0.645SS**THydrogen-bonded Turntrans-110.77.7-172.5-74.8-172.2179.9174.80117.3N155 N911N155-K157 VanDerWaalsContact C-N 3.28Å; N155-K157 PolarHBondContact O-N 3.13Å; K157-N911 WeakPolarHBondContact CE-OD1 3.46Å; K157-N911 PolarHBondContact NZ-OD1 3.18Å
158E31.8Very low36.7Very low194 Ų194127.1 Ų127.191%0.90768%0.682SS**SBendtrans-119.6116.2163.8-66.4-165156.200110.5
159G27.8Very low33.8Very low76 Ų76134.8 Ų134.878%0.78472%0.718SS**  trans122.840.3166.400000119.3
160K27Very low31.3Very low219 Ų219142.3 Ų142.395%0.95275%0.751SS**  trans-135.282.6155.8-78.2-159.3175-175.30113.5
161G26.5Very low29.6Very low77 Ų77149.9 Ų149.979%0.79477%0.771SS**  trans-96.6145.814500000109.3
162E29.9Very low28.3Very low187 Ų187154.5 Ų154.587%0.87479%0.788SS**  trans-41154.9-179.8-65.1153.8-17600115.3
163T25.4Very low27.8Very low127 Ų127155.3 Ų155.378%0.77980%0.798SS**  cis-157.816231.1-22.20000111.6
164E27.7Very low27.1Very low187 Ų187156.9 Ų156.987%0.87481%0.81SS**  trans-77.7146.8159.9-68.3-174.1139.300111.4
165P25.7Very low26.4Very low125 Ų125158.5 Ų158.581%0.81282%0.815SS**  trans-132161.913937.3-28.1000113.7
166E22.3Very low26.1Very low189 Ų189158.3 Ų158.388%0.88382%0.818SS**  trans-78.7168.7-165.5-60.5175.8110.200116V168E166-V168 PolarHBondContact O-N 2.85Å
167I26.7Very low25.8Very low159 Ų159157.2 Ų157.282%0.81582%0.818SS**  trans-73.4121.5179.9-59.8165.4000111.3
168V23Very low25.3Very low128 Ų128154.7 Ų154.778%0.77682%0.823SS**  trans-128.3120.3160.4-179.30000110.3E166E166-V168 PolarHBondContact O-N 2.85Å
169Q25.3Very low25Very low169 Ų169153.9 Ų153.979%0.7982%0.824SS**  trans-83.7127.8171.6-65.5-179.1-4.100110.8
170Q23.5Very low24.8Very low190 Ų190157.3 Ų157.389%0.88883%0.825SS**  trans-134.6156.7152.8-73.6-159.6-6.600111.1
171R21.5Very low24.7Very low223 Ų223151.9 Ų151.984%0.84281%0.814SS**  trans-116.7135.6-162.6-76.5175.4166.4173.1-5.5112.6
172M22.5Very low24.6Very low164 Ų164155.8 Ų155.881%0.80881%0.814SS**  trans63.4172.6140.1-67.2177.269.500118
173P31.8Very low24.3Very low100 Ų100154.6 Ų154.665%0.64981%0.808SS**  cis-116.5-179.5-23.826.9-4.7000110.7
174L21.6Very low24.1Very low171 Ų171154.9 Ų154.990%0.89580%0.804SS**  -164.8159.582-92.6166.5000113.3
175K21.1Very low23.9Very low187 Ų187154.8 Ų154.881%0.81380%0.797SS**  trans-89.5134.6-177.3-91.8-174.3175.7-173.60110.5
176V22.7Very low23.7Very low121 Ų121155.6 Ų155.673%0.73379%0.79SS**  61.5116.396.1-179.90000113.7
177D22.7Very low24Very low167 Ų167152.8 Ų152.889%0.89378%0.78SS**  -156.4169.2123.7-101.2-31.5000110.1
178A25.4Very low23.9Very low88 Ų88154.4 Ų154.473%0.72778%0.781SS**  trans-131.5153.4-164.800000113.9
179L24.1Very low24.1Very low177 Ų177154.8 Ų154.893%0.92777%0.774SS**  trans-162175.6147.7-134.872.2000112.8
180N23.9Very low23.9Very low148 Ų148154.9 Ų154.979%0.79178%0.78SS**  trans-105.9168.8-171.1-75.3-43.5000114.3
181S25.6Very low24Very low106 Ų106150.9 Ų150.974%0.74177%0.769SS**  trans66.8110.5138.359.50000122.6
182M24.6Very low24.9Very low159 Ų159145.7 Ų145.778%0.78376%0.764SS**  65.8137.9125.5-95.5-178.867.500124
183Q24Very low26.1Very low161 Ų161143.1 Ų143.175%0.75276%0.76SS**  trans69.9152.9165.6-55.5174.1-20.500115.1
184L21.1Very low25.9Very low133 Ų133144.5 Ų144.570%0.69677%0.766SS**  cis-147.6151.517.9-91.493.9000111.9
185Y22.2Very low26.2Very low185 Ų185141 Ų14173%0.72576%0.757SS**  trans59.3142.4140.6-71.6-117.6000120.1
186E23.3Very low26.5Very low143 Ų143136.7 Ų136.767%0.66875%0.75SS**  cis85.8138.337.9-63.7159.4-105.300113.7
187I27.5Very low26.7Very low129 Ų129139.5 Ų139.566%0.66276%0.755SS**  cis-158.9158.95.5-132.3167.7000112.3
188K24.2Very low27Very low193 Ų193137.5 Ų137.584%0.83974%0.744SS**  trans173.3123.5148.4-98.4161.4-171.5-1780111.3
189E27Very low27.1Very low136 Ų136143 Ų14364%0.63675%0.747SS**  cis84.3129.243.1-77.7-150.6111.700117.1T191E189-T191 PolarHBondContact OE1-OG1 2.9Å
190N22.8Very low27.3Very low172 Ų172144 Ų14492%0.9274%0.744SS**  trans-158.989.3146.4-106.5-14.8000109.7
191T25.6Very low27.5Very low106 Ų106141.7 Ų141.765%0.6575%0.746SS**  trans-85.9-168163.430.70000109E189E189-T191 PolarHBondContact OE1-OG1 2.9Å
192P38.9Very low27.5Very low114 Ų114145.6 Ų145.674%0.7475%0.753SS**  cis-135.4-152.86.647.2-28.4000112
193P48.2Very low27.6Very low110 Ų110142.8 Ų142.871%0.71475%0.754SS**  cis-116.3-160.7-22.741.1-25000110.1
194T28Very low27.8Very low128 Ų128142 Ų14279%0.78576%0.755SS**  cis-155.7-171.7-7.5-70000104.7
195S27.6Very low28Very low99 Ų99140.8 Ų140.869%0.69275%0.753SS**  cis-174.9154.7-10.439.20000105.3
196S27.1Very low28.2Very low96 Ų96138.5 Ų138.567%0.67175%0.753SS**  cis-169.7-178.1-9.244.90000108.6
197E27.6Very low28.4Very low179 Ų179138.9 Ų138.984%0.83676%0.759SS**  trans6591.7156.1-74.3168.2-152.800121.7
198D28.9Very low28.3Very low125 Ų125137.4 Ų137.467%0.66876%0.76SS**  82.2154.2103.9-124-21.6000125.5
199Y27.3Very low28.4Very low203 Ų203132.7 Ų132.780%0.79676%0.757SS**  trans84149.1161.4-66.3-59.6000124.7
200K27.5Very low28.4Very low199 Ų199130.4 Ų130.487%0.86576%0.761SS**  trans-106169.5-172.3-43.7164.5179.1175.80111.3
201A27.9Very low28.6Very low100 Ų100128.9 Ų128.983%0.82676%0.758SS**  trans-170.4170.5130.100000112.2
202E27.1Very low28.6Very low188 Ų188127.9 Ų127.988%0.87976%0.761SS**  trans-123.5158.5-170.7-62.6162.2103.600113.1
203A26Very low27.9Very low99 Ų99127 Ų12782%0.81876%0.763SS**  trans62.3172.3155.500000117.6
204D27.3Very low26.8Very low144 Ų144128 Ų12877%0.7777%0.768SS**  cis-163.2-172.113.7-161.90.7000111.8
205V25.8Very low26.7Very low108 Ų108129 Ų12966%0.65577%0.766SS**  trans80.888.8155.4-177.50000120.4
206L26.6Very low27Very low138 Ų138129.8 Ų129.872%0.72377%0.769SS**  52.6144.6104.6-63.3169.9000125.5
207L26.6Very low26.9Very low150 Ų150131.3 Ų131.379%0.78577%0.77SS**  trans68163.8147.3-91.872.5000120.5
208S26.8Very low26.9Very low99 Ų99130.2 Ų130.269%0.69277%0.77SS**  cis177.5146.4-45.859.10000112.9
209A25.6Very low26.8Very low93 Ų93129.6 Ų129.677%0.76977%0.766SS**  trans-175.6136.3146.300000109.3
210A27.4Very low26.8Very low88 Ų88128.3 Ų128.373%0.72777%0.765SS**  cis78.2138.224.200000113.8
211T27Very low26.7Very low140 Ų140128.2 Ų128.286%0.85977%0.768SS**  cis-169171.50.37.50000108.3
212A24.8Very low26.6Very low85 Ų85131.9 Ų131.970%0.70277%0.768SS**  cis-164.4168.7-3.500000110.5
213A25Very low26.5Very low95 Ų95131.5 Ų131.579%0.78577%0.766SS**  trans67.7145.7157.200000118.6
214T25.1Very low26.4Very low133 Ų133134.1 Ų134.182%0.81676%0.764SS**  cis-154.8157.342.3-56.60000112.4
215I26.6Very low26.2Very low147 Ų147133.7 Ų133.775%0.75476%0.762SS**  trans-115.4152.2172.6-21.4178.2000109.1
216P32.8Very low26.2Very low116 Ų116136.3 Ų136.375%0.75377%0.772SS**  -144.5151.193.937.9-22.9000116.1
217N25.9Very low26.1Very low128 Ų128134.7 Ų134.768%0.68477%0.772SS**  trans24.5130.5146.6-61.23.5000120.7
218D26.5Very low26.2Very low157 Ų157133.8 Ų133.884%0.8477%0.772SS**  -145.3177.288.6-133.2-28.3000113.5
219N28.1Very low26.2Very low111 Ų111137.7 Ų137.759%0.59478%0.78SS**  trans-113157.9-144.1-79.6-88.2000118.1
220K26.2Very low26.2Very low177 Ų177141.5 Ų141.577%0.7779%0.787SS**  trans68.4141.2159.7-70.9170.9-179.6-176.20115.9
221E25.8Very low26.2Very low197 Ų197141.8 Ų141.892%0.92179%0.79SS**  cis-129.7-178.846.7-78.4179.5149.500115.5
222Q26.7Very low26.2Very low177 Ų177142 Ų14283%0.82779%0.791SS**  trans-112.1162.2-171.9-67.6178-104.800112.4
223E23.5Very low26.4Very low180 Ų180147 Ų14784%0.84180%0.8SS**  trans-60.2153.4164.9-54.6169.5117.400111.8
224I24.7Very low26.6Very low153 Ų153152.5 Ų152.579%0.78581%0.806SS**  -175.2131.7124-95.4155.3000111.6
225N23.6Very low26.7Very low136 Ų136153.9 Ų153.973%0.72781%0.807SS**  trans24.3124.5155.3-56.7-25000122.6
226L25.7Very low26.6Very low162 Ų162155.4 Ų155.485%0.84882%0.816SS**  23117.5119.6-71.5159.7000118.9
227S24Very low26.2Very low105 Ų105154.5 Ų154.573%0.73482%0.818SS**  trans-147.5157.4131.6-167.30000110.4
228V28.1Very low26.2Very low130 Ų130154.1 Ų154.179%0.78883%0.826SS**  trans-132.290.1178.3177.20000108.3
229E26.8Very low25.9Very low182 Ų182156.5 Ų156.585%0.8583%0.829SS**  trans-168.280.5177.8-113159.9-145.100110.6
230D26.7Very low25.7Very low173 Ų173159 Ų15993%0.92584%0.837SS**SBendtrans-178.598148-125.2-23.4000111.8
231A27.1Very low25.6Very low94 Ų94158.4 Ų158.478%0.77784%0.842SS**SBendtrans-171.3-28168.300000114.5
232T27.4Very low25.5Very low145 Ų145152.8 Ų152.889%0.8984%0.837SS**SBendtrans-1007.2-158.537.70000116.2
233E28.4Very low25.3Very low190 Ų190149.8 Ų149.889%0.88884%0.835SS**SBendtrans-123.136.4-169.3-147.4172.5-125.900115.3
234K28.9Very low25.3Very low209 Ų209146.4 Ų146.491%0.90983%0.827SS**SBendtrans-132.235.7174.5-77.1-171.8175.7168.50115.2
235L27.3Very low25.5Very low163 Ų163146.1 Ų146.185%0.85383%0.827SS**SBendtrans-130.3-2.5179.7-99.4169.5000117.1
236L25.4Very low25.6Very low179 Ų179145 Ų14594%0.93783%0.83SS**SBendtrans-141.362.6-179.8-75.6176.5000113.5
237A23.5Very low25.6Very low96 Ų96141.7 Ų141.779%0.79383%0.826SS**  trans-156.973.8171.500000113.9
238S24.9Very low25.7Very low121 Ų121140.6 Ų140.685%0.84682%0.823SS**  trans172.5118.814234.40000111.7
239F21.3Very low25.7Very low206 Ų206140.5 Ų140.590%0.90482%0.822SS**  trans-131.5157.5161-118.9-83.8000107.4
240E23.6Very low25.7Very low163 Ų163138.2 Ų138.276%0.76282%0.816SS**  trans93.5122.4164.3-50.1-141.9130.400121.2
241L24.6Very low25.7Very low166 Ų166137.9 Ų137.987%0.86981%0.809SS**  trans70.8121.6137.5-72.3163.7000122.2
242G23.1Very low25.7Very low79 Ų79139.2 Ų139.281%0.81481%0.812SS**  trans176.9108.2164.700000111.7
243S22.9Very low25.5Very low114 Ų114137.8 Ų137.880%0.79781%0.809SS**  trans-84.5170172.748.80000110.7
244T24.2Very low26.2Very low108 Ų108134.4 Ų134.466%0.66380%0.803SS**  cis-158.1168.241.641.50000113.6
245D26.9Very low26Very low147 Ų147129.3 Ų129.379%0.78680%0.8SS**  trans46.3139.7147.4-52.7-19.6000121.4
246S26.6Very low25.9Very low113 Ų113126.7 Ų126.779%0.7980%0.802SS**  cis-169.5-177.8-11.258.20000106.4
247A26.2Very low25.8Very low93 Ų93122.6 Ų122.677%0.76979%0.794SS**  cis-157.9-165.63.700000106.3
248A26.1Very low25.9Very low82 Ų82127.3 Ų127.368%0.67880%0.796SS**  cis-169.7165.1-9.900000108
249V28.7Very low25.9Very low127 Ų127130.5 Ų130.577%0.7780%0.795SS**  trans56.8124.6144.9167.60000118.6
250D26.3Very low26Very low135 Ų135128 Ų12872%0.72279%0.792SS**  cis-154170.911.6-129-5000117.5
251E27.1Very low26Very low166 Ų166124.4 Ų124.478%0.77679%0.79SS**  trans-31.7146.7177.3-60.6-180159.300119.2
252S25.3Very low26.4Very low121 Ų121122.1 Ų122.185%0.84678%0.784SS**  -179167.270.643.50000114.4
253S24.1Very low26.5Very low116 Ų116125.1 Ų125.181%0.81179%0.787SS**  trans-163.4-170.8-178-1400000108.7
254P43.5Very low26.6Very low118 Ų118129.8 Ų129.877%0.76679%0.788SS**  cis-133.2-167.7-15.142.6-25.9000112.9
255A24.6Very low26.5Very low102 Ų102129.5 Ų129.584%0.84379%0.791SS**  trans-178.3152.4136.300000112.6
256A24.3Very low27Very low108 Ų108127.2 Ų127.289%0.89378%0.784SS**  trans-155.5143.9177.900000114.9
257A24.5Very low26.9Very low93 Ų93131.4 Ų131.477%0.76979%0.788SS**  trans-162.2124.8159.100000107.9
258K25.2Very low26.8Very low196 Ų196133.5 Ų133.585%0.85279%0.791SS**  79.8105.760.6-80.7-168.5171.4-178.80115.5
259F24.3Very low26.8Very low187 Ų187135.8 Ų135.882%0.8280%0.797SS**  trans43.1122.4138.4-81.8-94.8000121
260N23.4Very low26.6Very low155 Ų155139 Ų13983%0.82980%0.804SS**  -176.1155103.1-92.4-26000113.7
261A24.5Very low26.7Very low87 Ų87139.5 Ų139.572%0.71981%0.806SS**  trans-110.9170.315400000107.6
262P33.6Very low26.8Very low117 Ų117137.7 Ų137.776%0.7681%0.809SS**  -164.5-173.281.446-25.1000118.3
263V24.1Very low27.2Very low142 Ų142137.9 Ų137.986%0.86181%0.805SS**  trans77.5162.2150.61680000119.8
264Y24.8Very low27.6Very low212 Ų212142.3 Ų142.383%0.83181%0.81SS**  trans-121.5141.8-152.7-110.5-112.9000114.2
265S22.7Very low27.3Very low102 Ų102141.3 Ų141.371%0.71381%0.805SS**  trans68.2170.6139.4810000120.5
266P37.8Very low27.7Very low100 Ų100143 Ų14365%0.64980%0.8SS**  cis-134.1179.6-20.221.72.4000115.8
267F23.5Very low28.3Very low201 Ų201144.3 Ų144.388%0.88279%0.792SS**  trans88153.9149-86.1-64.6000124
268V24Very low28.7Very low137 Ų137143.4 Ų143.483%0.8378%0.784SS**  trans83.9135.9169.6-161.70000118.1
269T25.8Very low29.2Very low129 Ų129141 Ų14179%0.79178%0.776SS**  trans-111.9149.5-17350.10000112.2
270E25.3Very low29.7Very low195 Ų195138.9 Ų138.991%0.91177%0.767SS**  trans-155153.7147.2-124.8169.1-144.200112.5
271N28.2Very low30.3Very low146 Ų146137.9 Ų137.978%0.78176%0.757SS**  trans-113141.2-174.3-82.6-47000111.7
272P29.6Very low30.7Very low128 Ų128140.9 Ų140.983%0.83176%0.756SS**  trans-120.987.2158.435.4-23.3000112.5
273T33.2Very low30.7Very low124 Ų124140.8 Ų140.876%0.76175%0.748SS**  trans-10396.5168.639.60000111.7
274K32.4Very low31.3Very low210 Ų210138.4 Ų138.491%0.91373%0.734SS**  trans-170.784.2164.6-106.8156.3-174.71760111
275S36.6Very low31.5Very low96 Ų96135.9 Ų135.967%0.67173%0.728SS**SBendtrans-161.3-44169.6-1660000112.6D277 A278S275-D277 PolarHBondContact O-N 2.82Å; S275-A278 PolarHBondContact O-N 2.89Å
276L34.8Very low31.8Very low139 Ų139135.2 Ų135.273%0.72872%0.723SS**Hα-helixtrans-70.5-24.7-169.3-76.9157000116A278L276-A278 VanDerWaalsContact C-N 3.26Å; L276-A278 PolarHBondContact O-N 2.83Å
277D35.4Very low31.3Very low135 Ų135139 Ų13972%0.72273%0.729SS**Hα-helixtrans-73.2-15.7-178.6-68.2-50.8000113.8S275S275-D277 PolarHBondContact O-N 2.82Å
278A33Very low31.6Very low74 Ų74138.2 Ų138.261%0.61273%0.725SS**Hα-helixtrans-76.5-55.1-179.400000111.9S275 L276 F280 Q281S275-A278 PolarHBondContact O-N 2.89Å; L276-A278 VanDerWaalsContact C-N 3.26Å; L276-A278 PolarHBondContact O-N 2.83Å; A278-F280 VanDerWaalsContact C-N 3.26Å; A278-F280 PolarHBondContact O-N 2.89Å; A278-Q281 PolarHBondContact O-N 2.97Å
279E36Very low31.7Very low144 Ų144137.7 Ų137.767%0.67372%0.722SS**Hα-helixtrans-60.1-37.3179.9-64.1-176119.900111.8Q281 E282 L283E279-Q281 VanDerWaalsContact C-N 3.32Å; E279-Q281 PolarHBondContact O-N 3.07Å; E279-E282 PolarHBondContact O-N 2.89Å; E279-L283 PolarHBondContact O-N 3.07Å; E279-L283 VanDerWaalsContact O-N 3.17Å
280F35.8Very low31.7Very low144 Ų144139.7 Ų139.763%0.63272%0.722SS**Hα-helixtrans-66-31.4-177.7-160.5-100.4000113.2A278 V284A278-F280 VanDerWaalsContact C-N 3.26Å; A278-F280 PolarHBondContact O-N 2.89Å; F280-V284 HydrophobicContact CE1-CG2 4.39Å; F280-V284 WeakPolarHBondContact O-CG2 3.42Å; F280-V284 PolarHBondContact O-N 3.33Å
281Q36Very low31.5Very low134 Ų134138 Ų13863%0.62672%0.72SS**Hα-helixtrans-80.3-19.1177-71.3-155.623.200114.2A278 E279A278-Q281 PolarHBondContact O-N 2.97Å; E279-Q281 VanDerWaalsContact C-N 3.32Å; E279-Q281 PolarHBondContact O-N 3.07Å
282E32.9Very low31.3Very low149 Ų149136.5 Ų136.570%0.69672%0.716SS**Hα-helixtrans-80.1-41.7173.1-161.9161.3-130.700110.8E279 V284 K285E279-E282 PolarHBondContact O-N 2.89Å; E282-V284 PolarHBondContact O-N 2.84Å; E282-K285 WeakPolarHBondContact O-CB 3.3Å; E282-K285 PolarHBondContact O-N 3.41Å
283L32.9Very low31Very low115 Ų115138.9 Ų138.960%0.60271%0.713SS**Hα-helixtrans-64.4-21.5178.1-155.7122.2000114.1E279 S286E279-L283 PolarHBondContact O-N 3.07Å; E279-L283 VanDerWaalsContact O-N 3.17Å; L283-S286 PolarHBondContact O-OG 3.48Å; L283-S286 VanDerWaalsContact O-OG 3.11Å
284V35.8Very low30.6Very low92 Ų92141.7 Ų141.756%0.55872%0.715SS**THydrogen-bonded Turntrans-80.7-18.5174.4169.60000112.8F280 E282F280-V284 HydrophobicContact CE1-CG2 4.39Å; F280-V284 WeakPolarHBondContact O-CG2 3.42Å; F280-V284 PolarHBondContact O-N 3.33Å; E282-V284 PolarHBondContact O-N 2.84Å
285K30.6Very low30.3Very low160 Ų160139.1 Ų139.170%0.69671%0.711SS**THydrogen-bonded Turntrans-83.2-25.7179.8-69170.7-174.51680113.3E282E282-K285 WeakPolarHBondContact O-CB 3.3Å; E282-K285 PolarHBondContact O-N 3.41Å
286S28.3Very low29.7Very low87 Ų87143 Ų14361%0.60872%0.721SS**THydrogen-bonded Turntrans-75.7-19.4-177.756.30000114.6L283 K288L283-S286 PolarHBondContact O-OG 3.48Å; L283-S286 VanDerWaalsContact O-OG 3.11Å; S286-K288 PolarHBondContact O-N 2.92Å
287F27.4Very low29.3Very low180 Ų180144 Ų14479%0.78973%0.727SS**THydrogen-bonded Turntrans-91.318.5-175.4-91-80.7000115.6
288K29.7Very low28.9Very low184 Ų184144.9 Ų144.980%0.873%0.731SS**  trans-129.787175.5-77-172176.7-179.50113.1S286S286-K288 PolarHBondContact O-N 2.92Å
289V25.4Very low28.6Very low126 Ų126146.6 Ų146.676%0.76474%0.736SS**  trans-175.4150.5148.2135.20000109.2
290Q25.4Very low28.2Very low171 Ų171145.3 Ų145.380%0.79974%0.74SS**  trans63.6123.8-176.7-66.9158.522.500113.7
291N23Very low27.9Very low159 Ų159143.8 Ų143.885%0.8575%0.745SS**  cis-122.9158.438.8-78.7-48.6000115.7
292V22.6Very low27.4Very low116 Ų116143.1 Ų143.170%0.70375%0.752SS**  trans-135158.2174.3174.40000107.8
293F23.7Very low27Very low177 Ų177141.8 Ų141.878%0.77676%0.759SS**  trans79.3148.6-175.9-54-66.2000114.8
294K25.1Very low26.6Very low184 Ų184142.4 Ų142.480%0.877%0.767SS**  cis-147.7152.83.8-135.7156.2-166.4174.10111.5
295N26.1Very low25.9Very low155 Ų155143.1 Ų143.183%0.82978%0.776SS**  trans-64.7137.9167.8-70.9-13.6000110.6
296M23.5Very low25.7Very low177 Ų177143.1 Ų143.187%0.87278%0.782SS**  trans-136117.9154.5-83.8-168.4163.600108.9
297N26.8Very low25.5Very low160 Ų160147.4 Ų147.486%0.85679%0.793SS**  trans-77.7134166.1-67.7-19.8000108.3
298L25.8Very low25.3Very low155 Ų155147.1 Ų147.181%0.81279%0.794SS**  trans-129.8155.8165.8-77.1172.6000109.5
299P26.9Very low25.1Very low109 Ų109144.5 Ų144.571%0.70880%0.795SS**PPolyproline II helixtrans-77.4161.8-160.4-15.231.7000113.8
300P28.7Very low25Very low118 Ų118144.3 Ų144.377%0.76680%0.795SS**PPolyproline II helixtrans-64144.4168.129-35000111.2
301P28.3Very low25Very low112 Ų112141.6 Ų141.673%0.72779%0.794SS**PPolyproline II helixtrans-67.2156.5170.330-34.6000111.2
302P26.3Very low25Very low119 Ų119139.6 Ų139.677%0.77379%0.793SS**PPolyproline II helixtrans-68.5140.5-172.927.9-35.5000112.8V304P302-V304 PolarHBondContact O-N 2.9Å
303S23.8Very low25.1Very low122 Ų122139 Ų13985%0.85380%0.8SS**  trans-70.4114.6172530000111.1
304V24.9Very low25.1Very low127 Ų127135.8 Ų135.877%0.7780%0.8SS**  trans-101.3112.5164179.30000107.7P302P302-V304 PolarHBondContact O-N 2.9Å
305S22.3Very low25.1Very low108 Ų108132.2 Ų132.276%0.75580%0.804SS**PPolyproline II helixtrans-70.5125.8173.447.30000110.4
306I25.7Very low25Very low159 Ų159129.3 Ų129.382%0.81580%0.796SS**PPolyproline II helixtrans-102.4124.6166.8-61.6176.9000106.7
307E23.3Very low25.2Very low178 Ų178127.9 Ų127.983%0.83279%0.792SS**PPolyproline II helixtrans-79135.9177.4-62.9178.3133.600110.4P309E307-P309 WeakPolarHBondContact O-CD 3.07Å
308E23.3Very low25Very low174 Ų174130 Ų13081%0.81379%0.789SS**PPolyproline II helixtrans-84.2124172.4-66.5-173.8139.900111V310E308-V310 PolarHBondContact O-N 3.44Å
309P25.3Very low25Very low128 Ų128133.8 Ų133.883%0.83179%0.793SS**  trans-79.997159.931.3-30.2000109.4E307 S311E307-P309 WeakPolarHBondContact O-CD 3.07Å; P309-S311 PolarHBondContact O-N 3.39Å
310V23.8Very low24.9Very low123 Ų123136 Ų13675%0.74579%0.794SS**  trans-66.8127.4176.11780000110.9E308E308-V310 PolarHBondContact O-N 3.44Å
311S25.9Very low24.8Very low114 Ų114139.4 Ų139.480%0.79780%0.799SS**  trans-142102.5158.569.80000111.6P309P309-S311 PolarHBondContact O-N 3.39Å
312S23.6Very low24.6Very low116 Ų116141.3 Ų141.381%0.81180%0.802SS**  trans-78.9132.4173.454.80000111.9
313A24.3Very low24.4Very low103 Ų103142.8 Ų142.885%0.85180%0.803SS**  trans-139.4135.4159.800000109.5
314S23.9Very low24.6Very low111 Ų111143.4 Ų143.478%0.77680%0.802SS**  trans-79.5149.5-173.949.20000113
315A25.3Very low24.7Very low109 Ų109144 Ų14490%0.90181%0.806SS**  trans-68.2141161.900000110.9
316S23.3Very low24.8Very low94 Ų94142.8 Ų142.866%0.65780%0.798SS**  trans-152.1135.4168.857.80000109.5
317D27.3Very low24.8Very low146 Ų146142.4 Ų142.478%0.78180%0.797SS**  trans-59.6132.7-175.8-65.6-91.5000114.1
318Y23.7Very low24.9Very low204 Ų204141.1 Ų141.180%0.880%0.795SS**  trans-135.3101.5149-90.7-79.5000110.1H320Y318-H320 PolarHBondContact O-N 2.96Å
319R24.4Very low25Very low236 Ų236137.6 Ų137.689%0.89179%0.79SS**  trans-73.5113.5162.1-68.7-179.2-179.6-178.5-0.8108.1
320H25.5Very low25Very low155 Ų155137.7 Ų137.772%0.71878%0.782SS**  trans-111.7131.8159.3-99.9-83.8000109.5Y318Y318-H320 PolarHBondContact O-N 2.96Å
321Q25.6Very low25Very low190 Ų190143.4 Ų143.489%0.88879%0.79SS**  trans-66.4138.2163.2-67.1165.1-87.900108
322I24.1Very low25Very low152 Ų152142.3 Ų142.378%0.77978%0.779SS**  trans-118.6116.1171.6-62.3177.8000106
323D22.1Very low25.2Very low149 Ų149144 Ų14480%0.79778%0.784SS**  trans-68.7138.1176.7-77.7-53.9000111.3T325D323-T325 PolarHBondContact O-N 3.37Å; D323-T325 VanDerWaalsContact O-N 3.14Å
324T28.4Very low25.5Very low136 Ų136147.1 Ų147.183%0.83478%0.778SS**SBendtrans-89.764.9-168.553.60000113.4
325T27.6Very low26.1Very low138 Ų138146.3 Ų146.385%0.84777%0.765SS**  trans-157.361.2173.1330000115.9D323D323-T325 PolarHBondContact O-N 3.37Å; D323-T325 VanDerWaalsContact O-N 3.14Å
326S24.7Very low26.7Very low84 Ų84145.4 Ų145.459%0.58775%0.752SS**  trans-175.2143.5145.7177.60000110.4D328S326-D328 PolarHBondContact OG-N 3.42Å; S326-D328 PolarHBondContact OG-OD2 2.88Å
327L26.5Very low27.7Very low151 Ų151144.6 Ų144.679%0.79175%0.745SS**  trans-114.4-1174.8-91.8163000113.5S329L327-S329 VanDerWaalsContact C-N 3.29Å; L327-S329 PolarHBondContact O-N 3.33Å; L327-S329 VanDerWaalsContact O-N 3.15Å
328D25.1Very low28.5Very low150 Ų150137.8 Ų137.880%0.80271%0.709SS**THydrogen-bonded Turntrans-85.313-162-52.2-67.1000115.1S326S326-D328 PolarHBondContact OG-N 3.42Å; S326-D328 PolarHBondContact OG-OD2 2.88Å
329S24.6Very low29.3Very low100 Ų100132.1 Ų132.170%0.69970%0.699SS**THydrogen-bonded Turntrans-131.217.4-167.755.30000116.4L327 R331L327-S329 VanDerWaalsContact C-N 3.29Å; L327-S329 PolarHBondContact O-N 3.33Å; L327-S329 VanDerWaalsContact O-N 3.15Å; S329-R331 PolarHBondContact O-N 2.89Å; S329-R331 VanDerWaalsContact O-N 3.17Å
330I24.6Very low30.5Very low130 Ų130121.9 Ų121.967%0.66766%0.662SS**  trans-86.481.1170.6-51-176.8000110.7T332I330-T332 HydrophobicContact CG2-CG2 4.12Å; I330-T332 PolarHBondContact O-N 2.99Å; I330-T332 VanDerWaalsContact O-N 3.07Å
331R24.8Very low30.9Very low243 Ų243117.9 Ų117.992%0.91766%0.656SS**  trans-74.387.9169-78.5-173.5171.5-173.6-2.9111.2S329S329-R331 PolarHBondContact O-N 2.89Å; S329-R331 VanDerWaalsContact O-N 3.17Å
332T25.8Very low31.6Very low92 Ų92112.2 Ų112.256%0.56463%0.634SS**  trans-75.4122.1172.633.50000112.4I330 K334I330-T332 HydrophobicContact CG2-CG2 4.12Å; I330-T332 PolarHBondContact O-N 2.99Å; I330-T332 VanDerWaalsContact O-N 3.07Å; T332-K334 PolarHBondContact O-N 3.38Å
333V27.2Very low32.2Very low150 Ų150111.3 Ų111.391%0.90964%0.635SS**THydrogen-bonded Turntrans-79.257.2176.1-167.20000110.7
334K31.7Very low33.3Very low169 Ų169106.7 Ų106.774%0.73561%0.613SS**THydrogen-bonded Turntrans-129.8-14.5-173.4-89.8-174.4173.4177.80117T332 S336T332-K334 PolarHBondContact O-N 3.38Å; K334-S336 VanDerWaalsContact C-N 3.3Å; K334-S336 PolarHBondContact O-N 3.49Å; K334-S336 VanDerWaalsContact O-N 3.07Å
335D36.7Very low34.3Very low95 Ų95103.1 Ų103.151%0.50859%0.586SS.*  trans-87.167.5174.9-68.4-31.5000111.3H770D335-H770 WeakPolarHBondContact OD2-CB 3.48Å
336S37.2Very low34.9Very low90 Ų90102.9 Ų102.963%0.62959%0.59SS**  trans-75.7146.4168.7-67.90000111K334 A338K334-S336 VanDerWaalsContact C-N 3.3Å; K334-S336 PolarHBondContact O-N 3.49Å; K334-S336 VanDerWaalsContact O-N 3.07Å; S336-A338 PolarHBondContact O-N 3.02Å
337P44.3Very low36.1Very low76 Ų76100.2 Ų100.249%0.49457%0.573SS.*  trans-58.7128.4-177.423.1-33.8000111.7S339P337-S339 PolarHBondContact O-N 3.12Å; P337-S339 VanDerWaalsContact O-N 3.08Å
338A44.9Very low37.7Very low4 Ų499.8 Ų99.83%0.03358%0.577CS.*BIsolated β-bridgetrans-69.2108.4-17200000111.2S336 L340 Y760 L765 P766S336-A338 PolarHBondContact O-N 3.02Å; A338-L340 PolarHBondContact O-N 3.1Å; A338-L340 VanDerWaalsContact O-N 3.09Å; A338-Y760 HydrophobicContact CB-CE1 4.28Å; A338-L765 HydrophobicContact CB-CD2 4.5Å; A338-P766 HydrophobicContact CB-CG 4.36Å
339S38.9Very low40Very low84 Ų8494 Ų9459%0.58755%0.552SS**  trans-74.799.2176.1-170.70000110.7P337 A341P337-S339 PolarHBondContact O-N 3.12Å; P337-S339 VanDerWaalsContact O-N 3.08Å; S339-A341 PolarHBondContact O-N 3.47Å
340L49.2Very low42.8Very low21 Ų2192.9 Ų92.911%0.1154%0.537CS..  trans-75.420.3176.8-100.6162.6000113.9A338 V342 V605 G608 V609 L765A338-L340 PolarHBondContact O-N 3.1Å; A338-L340 VanDerWaalsContact O-N 3.09Å; L340-V342 PolarHBondContact O-N 3.44Å; L340-V605 HydrophobicContact CD1-CG2 4.42Å; L340-V605 HydrophobicContact CD2-CB 4.29Å; L340-V605 HydrophobicContact CD2-CG1 3.69Å; L340-V605 HydrophobicContact CD2-CG2 4.45Å; L340-G608 WeakPolarHBondContact O-CA 3.5Å; L340-V609 WeakPolarHBondContact CB-O 3.36Å; L340-V609 WeakPolarHBondContact CD1-O 3.36Å; L340-L765 HydrophobicContact CD1-CD1 4.4Å; L340-L765 HydrophobicContact CD1-CD2 4.2Å; L340-L765 HydrophobicContact CD2-CD2 3.71Å; L340-L765 HydrophobicContact CG-CD2 3.69Å
341A34.7Very low45.8Very low72 Ų7287.7 Ų87.760%0.59551%0.512SS*.  trans-83.581.4-166.700000114.2S339S339-A341 PolarHBondContact O-N 3.47Å
342V40.8Very low48.7Very low70 Ų7077.7 Ų77.742%0.42448%0.475SS..  trans-97.8130152.9178.50000108L340 P344 T579L340-V342 PolarHBondContact O-N 3.44Å; V342-P344 WeakPolarHBondContact O-CD 3.42Å; V342-T579 HydrophobicContact CB-CG2 3.73Å; V342-T579 HydrophobicContact CG1-CG2 3.88Å; V342-T579 HydrophobicContact CG2-CG2 3.71Å
343V36.9Very low51.5Low134 Ų13475.8 Ų75.881%0.81246%0.461SS*.  trans-65114.8-174.9179.60000110.9
344P43.9Very low54.2Low51 Ų5172.4 Ų72.433%0.33144%0.438SS..  trans-73.9149.5172.1-1331.2000110.5V342 S346V342-P344 WeakPolarHBondContact O-CD 3.42Å; P344-S346 PolarHBondContact O-N 3.38Å
345F49.6Very low56.7Low62 Ų6270 Ų7027%0.27243%0.425SS..  trans-25.6123.4-178.5-62.6-89.2000116.9A347 W360 L587F345-A347 PolarHBondContact O-N 3.1Å; F345-A347 VanDerWaalsContact O-N 3.07Å; F345-W360 HydrophobicContact CB-CZ2 4.49Å; F345-W360 HydrophobicContact CG-CH2 4.48Å; F345-L587 HydrophobicContact CE2-CD1 3.72Å; F345-L587 HydrophobicContact CZ-CB 3.94Å; F345-L587 HydrophobicContact CZ-CD1 3.6Å; F345-L587 HydrophobicContact CZ-CG 4.31Å
346S41.7Very low59.1Low132 Ų13267.4 Ų67.492%0.92342%0.421SS*.SBendtrans-69.16.2166.454.90000114.3P344P344-S346 PolarHBondContact O-N 3.38Å
347A48.1Very low61.6Low28 Ų2863.1 Ų63.123%0.23139%0.391CS..SBendtrans-97133.5-176.400000111.6F345 G349 R362F345-A347 PolarHBondContact O-N 3.1Å; F345-A347 VanDerWaalsContact O-N 3.07Å; A347-G349 PolarHBondContact O-N 3.07Å; A347-R362 VanDerWaalsContact CB-NH1 3.31Å
348V61.3Low63.9Low143 Ų14359.6 Ų59.687%0.86737%0.368SS*.  trans-58.8130.8173.3-176.40000109.8
349G73.1Confident66.2Low28 Ų2859.4 Ų59.429%0.28937%0.366SS..  trans-158.8164179.900000110.8A347A347-G349 PolarHBondContact O-N 3.07Å
350I84.4Confident68.7Low76 Ų7656.2 Ų56.239%0.3934%0.341SS..EExtended strand (participates in β ladder)trans-101123.3-172.8-51.5172.2000109.5Y352 W360 S361 A364I350-Y352 HydrophobicContact CB-CE2 4.07Å; I350-Y352 HydrophobicContact CG2-CE1 3.97Å; I350-Y352 HydrophobicContact CG2-CE2 3.88Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.33Å; I350-W360 WeakPolarHBondContact O-CA 3.38Å; I350-S361 PolarHBondContact N-O 3.06Å; I350-S361 PolarHBondContact O-N 3.07Å; I350-S361 VanDerWaalsContact O-N 3.14Å; I350-A364 HydrophobicContact CD1-CB 4.22Å
351T85.6Confident70.7Confident22 Ų2255.2 Ų55.214%0.13534%0.336CS..EExtended strand (participates in β ladder)trans-100.3119.7175.7-55.20000111.9L358 G359 L730 K731T351-L358 HydrophobicContact CG2-CD1 3.61Å; T351-L358 HydrophobicContact CG2-CG 4.38Å; T351-G359 CarbonylContact C-O 3.47Å; T351-G359 VanDerWaalsContact CA-O 3.31Å; T351-G359 WeakPolarHBondContact CA-O 3.45Å; T351-L730 WeakPolarHBondContact CG2-O 3.26Å; T351-L730 PolarHBondContact OG1-O 3Å; T351-L730 VanDerWaalsContact OG1-O 3.07Å; T351-K731 HydrophobicContact CG2-CG 3.98Å
352Y86.7Confident73Confident33 Ų3356.9 Ų56.913%0.12933%0.327CS..EExtended strand (participates in β ladder)trans-96.4146174.3-55-82.9000110.5I350 L358 G359 A364 V365 F401I350-Y352 HydrophobicContact CB-CE2 4.07Å; I350-Y352 HydrophobicContact CG2-CE1 3.97Å; I350-Y352 HydrophobicContact CG2-CE2 3.88Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.33Å; Y352-L358 WeakPolarHBondContact O-CA 3.41Å; Y352-G359 PolarHBondContact N-O 3.39Å; Y352-G359 PolarHBondContact O-N 2.92Å; Y352-A364 WeakPolarHBondContact OH-CA 3.33Å; Y352-V365 HydrophobicContact CE2-CB 4.41Å; Y352-V365 PolarHBondContact OH-N 2.76Å; Y352-F401 HydrophobicContact CD1-CE1 4.27Å; Y352-F401 HydrophobicContact CG-CE1 4.15Å
353N84Confident75.1Confident51 Ų5156 Ų5627%0.27332%0.318SS..  trans-144.540.6175.470.1-30.9000112.7V357 L358 Y727 K731N353-V357 CarbonylContact C-O 3.52Å; N353-V357 VanDerWaalsContact CA-O 3.31Å; N353-V357 WeakPolarHBondContact CA-O 3.11Å; N353-L358 HydrophobicContact CB-CD1 4.36Å; N353-Y727 HydrophobicContact CB-CD2 3.96Å; N353-Y727 HydrophobicContact CB-CG 4.26Å; N353-K731 VanDerWaalsContact CG-CE 3.42Å; N353-K731 WeakPolarHBondContact OD1-CE 3.49Å; N353-K731 PolarHBondContact OD1-NZ 3.39Å
354N84.1Confident77.5Confident79 Ų7953.6 Ų53.642%0.42231%0.312SS..  trans-102.7152.8-174.4-57.524.1000110.7G356 V357 F401N354-G356 PolarHBondContact O-N 3.37Å; N354-V357 PolarHBondContact N-O 2.74Å; N354-V357 PolarHBondContact O-N 2.76Å; N354-F401 HydrophobicContact CB-CZ 4.2Å
355Y85.5Confident79.7Confident119 Ų11951.8 Ų51.847%0.46730%0.3SS..THydrogen-bonded Turntrans59.422.9178.4-42.5-67000115.4V357 P367 A397 R400 F401Y355-V357 VanDerWaalsContact C-N 3.33Å; Y355-P367 HydrophobicContact CE2-CB 4.14Å; Y355-P367 HydrophobicContact CE2-CG 4.04Å; Y355-A397 WeakPolarHBondContact O-CB 3.46Å; Y355-R400 VanDerWaalsContact CD1-NH1 3.34Å; Y355-R400 VanDerWaalsContact CE1-NH1 3.29Å; Y355-F401 HydrophobicContact CD2-CE2 4.14Å; Y355-F401 HydrophobicContact CD2-CZ 4.14Å
356G85.6Confident81.6Confident41 Ų4154.5 Ų54.542%0.42332%0.321SS..THydrogen-bonded Turntrans88.1-9.1-179.100000115N354 Y727N354-G356 PolarHBondContact O-N 3.37Å; G356-Y727 VanDerWaalsContact O-CE2 3.3Å; G356-Y727 WeakPolarHBondContact O-CE2 3.48Å; G356-Y727 PolarHBondContact O-OH 3.34Å
357V90.8Very high84Confident0 Ų050 Ų500%029%0.289CS..  trans-97.7132.3-179.1164.50000110.8N353 N354 Y355 A397 V398 F401 L596 F597 D598N353-V357 CarbonylContact C-O 3.52Å; N353-V357 VanDerWaalsContact CA-O 3.31Å; N353-V357 WeakPolarHBondContact CA-O 3.11Å; N354-V357 PolarHBondContact N-O 2.74Å; N354-V357 PolarHBondContact O-N 2.76Å; Y355-V357 VanDerWaalsContact C-N 3.33Å; V357-A397 HydrophobicContact CG2-CB 3.5Å; V357-V398 HydrophobicContact CG1-CG1 4.27Å; V357-V398 HydrophobicContact CG2-CG1 3.64Å; V357-F401 HydrophobicContact CB-CE2 4.24Å; V357-F401 HydrophobicContact CG1-CD2 4.21Å; V357-F401 HydrophobicContact CG1-CE2 4.18Å; V357-L596 HydrophobicContact CG1-CB 4.37Å; V357-L596 HydrophobicContact CG1-CD2 4Å; V357-F597 VanDerWaalsContact CA-O 3.31Å; V357-F597 WeakPolarHBondContact CA-O 3.42Å; V357-D598 HydrophobicContact CG2-CB 4.43Å
358L92.6Very high86.1Confident1 Ų148.9 Ų48.91%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-83.7128.1160.9-173.581.3000108.6T351 Y352 N353 L596 F597 A603 Y606 Y727 L730T351-L358 HydrophobicContact CG2-CD1 3.61Å; T351-L358 HydrophobicContact CG2-CG 4.38Å; Y352-L358 WeakPolarHBondContact O-CA 3.41Å; N353-L358 HydrophobicContact CB-CD1 4.36Å; L358-L596 WeakPolarHBondContact O-CA 3.41Å; L358-F597 HydrophobicContact CB-CB 4.31Å; L358-F597 HydrophobicContact CB-CD2 4.49Å; L358-F597 HydrophobicContact CD2-CD2 4.09Å; L358-F597 PolarHBondContact N-O 2.75Å; L358-F597 PolarHBondContact O-N 3.2Å; L358-A603 HydrophobicContact CB-CB 4.4Å; L358-A603 HydrophobicContact CD2-CB 3.9Å; L358-Y606 HydrophobicContact CD2-CD1 4.42Å; L358-Y727 HydrophobicContact CB-CD1 4.02Å; L358-Y727 HydrophobicContact CB-CE1 3.75Å; L358-Y727 HydrophobicContact CB-CE2 4.36Å; L358-Y727 HydrophobicContact CB-CG 4.42Å; L358-Y727 HydrophobicContact CD1-CD1 4.01Å; L358-Y727 HydrophobicContact CD1-CG 4.05Å; L358-Y727 HydrophobicContact CG-CD1 4.44Å; L358-L730 HydrophobicContact CD1-CB 4.17Å; L358-L730 HydrophobicContact CD1-CD1 4.25Å; L358-L730 HydrophobicContact CD2-CB 4.31Å; L358-L730 HydrophobicContact CD2-CD1 3.53Å; L358-L730 HydrophobicContact CD2-CG 4.49Å
359G92.6Very high87.4Confident0 Ų047.5 Ų47.50%026%0.26CS..EExtended strand (participates in β ladder)trans-122.9145.5172.400000111.5T351 Y352 V595T351-G359 CarbonylContact C-O 3.47Å; T351-G359 VanDerWaalsContact CA-O 3.31Å; T351-G359 WeakPolarHBondContact CA-O 3.45Å; Y352-G359 PolarHBondContact N-O 3.39Å; Y352-G359 PolarHBondContact O-N 2.92Å; G359-V595 CarbonylContact C-O 3.59Å; G359-V595 VanDerWaalsContact CA-O 3.28Å; G359-V595 WeakPolarHBondContact CA-O 3.3Å
360W91.6Very high88Confident18 Ų1846.5 Ų46.57%0.06825%0.25CC..EExtended strand (participates in β ladder)trans-134133.6170.5-179.890.1000110.3F345 I350 R362 V593 L594 V595F345-W360 HydrophobicContact CB-CZ2 4.49Å; F345-W360 HydrophobicContact CG-CH2 4.48Å; I350-W360 WeakPolarHBondContact O-CA 3.38Å; W360-R362 HydrophobicContact CH2-CG 4.11Å; W360-V593 HydrophobicContact CZ3-CG1 3.96Å; W360-L594 WeakPolarHBondContact O-CA 3.4Å; W360-V595 HydrophobicContact CE3-CG2 4.18Å; W360-V595 PolarHBondContact N-O 3.26Å; W360-V595 PolarHBondContact O-N 3.17Å
361S90.4Very high88Confident0 Ų043.5 Ų43.50%023%0.234CC..EExtended strand (participates in β ladder)trans-153.3148.4179.9166.40000110.8I350 H363I350-S361 PolarHBondContact N-O 3.06Å; I350-S361 PolarHBondContact O-N 3.07Å; I350-S361 VanDerWaalsContact O-N 3.14Å; S361-H363 VanDerWaalsContact C-N 3.26Å; S361-H363 WeakPolarHBondContact CB-O 3.48Å; S361-H363 PolarHBondContact OG-N 3.12Å; S361-H363 PolarHBondContact OG-O 2.85Å
362R83.5Confident87.9Confident106 Ų10647.9 Ų47.940%0.426%0.261SS..SBendtrans-69-27.6167.8-59.9-176.5-169.6-87.80.4112.6A347 W360 P591A347-R362 VanDerWaalsContact CB-NH1 3.31Å; W360-R362 HydrophobicContact CH2-CG 4.11Å; R362-P591 VanDerWaalsContact CD-O 3.27Å; R362-P591 WeakPolarHBondContact CD-O 3.33Å; R362-P591 PolarHBondContact NE-O 2.94Å
363H84.5Confident87.9Confident53 Ų5351.3 Ų51.325%0.24528%0.278CS..SBendtrans-103.2149-175.5-64.5-93.2000111.5S361 V365 K410 D592S361-H363 VanDerWaalsContact C-N 3.26Å; S361-H363 WeakPolarHBondContact CB-O 3.48Å; S361-H363 PolarHBondContact OG-N 3.12Å; S361-H363 PolarHBondContact OG-O 2.85Å; H363-V365 PolarHBondContact O-N 2.92Å; H363-K410 PolarHBondContact CE1-NZ 2.85Å; H363-K410 PolarHBondContact ND1-NZ 2.9Å; H363-D592 IonicContact CD2-OD1 3.81Å; H363-D592 IonicContact CE1-OD1 3.23Å; H363-D592 IonicContact NE2-OD1 2.68Å; H363-D592 PolarHBondContact NE2-OD1 3.27Å
364A88Confident87.9Confident83 Ų8348.9 Ų48.969%0.68627%0.266SS*.  trans-64.5121.6170.300000111.2I350 Y352I350-A364 HydrophobicContact CD1-CB 4.22Å; Y352-A364 WeakPolarHBondContact OH-CA 3.33Å
365V90Very high87.7Confident12 Ų1247.4 Ų47.47%0.07326%0.26CS..  trans-111.6121.1173.3-178.30000109.4Y352 H363 F401 P404 H405 L594Y352-V365 HydrophobicContact CE2-CB 4.41Å; Y352-V365 PolarHBondContact OH-N 2.76Å; H363-V365 PolarHBondContact O-N 2.92Å; V365-F401 HydrophobicContact CG1-CB 4.25Å; V365-F401 HydrophobicContact CG1-CD1 4.29Å; V365-F401 WeakPolarHBondContact CG1-O 3.21Å; V365-P404 HydrophobicContact CG1-CG 4.36Å; V365-H405 HydrophobicContact CG2-CB 4.34Å; V365-L594 HydrophobicContact CG1-CD2 4.49Å; V365-L594 HydrophobicContact CG2-CD1 4.25Å; V365-L594 HydrophobicContact CG2-CD2 4.37Å
366V90.4Very high87.7Confident119 Ų11946.6 Ų46.672%0.72126%0.264SS*.PPolyproline II helixtrans-93.4120171.7-178.80000108.1P404V366-P404 VanDerWaalsContact O-CG 3.31Å; V366-P404 WeakPolarHBondContact O-CG 3.4Å
367P92.3Very high87.8Confident37 Ų3744.8 Ų44.824%0.2425%0.245CC..PPolyproline II helixtrans-78133.9-177.129-32.9000112.6Y355 R400 F401Y355-P367 HydrophobicContact CE2-CB 4.14Å; Y355-P367 HydrophobicContact CE2-CG 4.04Å; P367-R400 CarbonylContact C-O 3.26Å; P367-R400 WeakPolarHBondContact CA-O 3.36Å; P367-R400 HydrophobicContact CB-CB 4.13Å; P367-F401 HydrophobicContact CB-CD1 3.86Å; P367-F401 HydrophobicContact CB-CE1 3.79Å; P367-F401 HydrophobicContact CB-CG 4.35Å; P367-F401 HydrophobicContact CB-CZ 4.24Å; P367-F401 HydrophobicContact CG-CD1 4.43Å; P367-F401 HydrophobicContact CG-CE1 3.98Å; P367-F401 HydrophobicContact CG-CZ 4.49Å
368C91.7Very high87.8Confident6 Ų646.4 Ų46.44%0.04126%0.256CS..PPolyproline II helixtrans-85.3141.8171.363.30000111.5E373 R400C368-E373 HydrophobicContact CB-CB 3.7Å; C368-R400 PolarHBondContact N-O 2.81Å; C368-R400 WeakPolarHBondContact O-CA 3.36Å; C368-R400 VanDerWaalsContact O-CB 3.23Å; C368-R400 WeakPolarHBondContact O-CB 3.4Å; C368-R400 VanDerWaalsContact O-CG 3.22Å; C368-R400 WeakPolarHBondContact O-CG 3.45Å; C368-R400 PolarHBondContact SG-O 2.96Å
369Y88.4Confident87.7Confident113 Ų11351.5 Ų51.544%0.44329%0.287SS..SBendtrans-81.8-32.3177.5-168.7-92000113.1E373 R394 A395 R400Y369-E373 VanDerWaalsContact CB-OE2 3.29Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.43Å; Y369-E373 PolarHBondContact N-OE2 2.73Å; Y369-R394 HydrophobicContact CD1-CB 4.44Å; Y369-R394 HydrophobicContact CE1-CB 4.03Å; Y369-A395 WeakPolarHBondContact O-CB 3.46Å; Y369-A395 PolarHBondContact O-N 2.82Å; Y369-R400 VanDerWaalsContact CD2-NH2 3.26Å; Y369-R400 VanDerWaalsContact CE2-NH2 3.29Å; Y369-R400 PolarHBondContact O-NH2 2.91Å; Y369-R400 VanDerWaalsContact O-NH2 3.17Å
370G86.2Confident87.7Confident8 Ų854.4 Ų54.48%0.08230%0.302CS..SBendtrans-150.8-179.9-178.900000114.4T372 E373 A374G370-T372 PolarHBondContact O-N 2.96Å; G370-E373 PolarHBondContact O-N 2.99Å; G370-A374 PolarHBondContact O-N 2.86Å
371L84.2Confident87.7Confident12 Ų1253.5 Ų53.56%0.06330%0.299CS..THydrogen-bonded Turntrans-63.9-18.8-177.9-81.4171.2000114.4R382 M385 Q386 A391 W403L371-R382 WeakPolarHBondContact O-CD 3.43Å; L371-R382 VanDerWaalsContact O-CZ 3.28Å; L371-R382 PolarHBondContact O-NE 3.27Å; L371-R382 PolarHBondContact O-NH1 3.28Å; L371-M385 HydrophobicContact CD1-CB 4.09Å; L371-M385 HydrophobicContact CD1-CE 4.48Å; L371-M385 HydrophobicContact CD2-CE 3.66Å; L371-M385 HydrophobicContact CD2-SD 3.73Å; L371-Q386 HydrophobicContact CD1-CG 4.39Å; L371-A391 HydrophobicContact CD1-CB 4.02Å; L371-A391 HydrophobicContact CG-CB 4.07Å; L371-W403 HydrophobicContact CD2-CE3 4.17Å; L371-W403 HydrophobicContact CD2-CH2 3.51Å; L371-W403 HydrophobicContact CD2-CZ2 4.17Å; L371-W403 HydrophobicContact CD2-CZ3 3.5Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.5Å; L371-W403 HydrophobicContact CG-CH2 3.86Å; L371-W403 HydrophobicContact CG-CZ3 3.83Å
372T83.5Confident87.7Confident115 Ų11556 Ų5671%0.70631%0.308SS*.THydrogen-bonded Turntrans-67.7-40.8173.838.30000112.2G370 R382G370-T372 PolarHBondContact O-N 2.96Å; T372-R382 VanDerWaalsContact C-NH1 3.32Å; T372-R382 PolarHBondContact O-NH1 3.02Å
373E85.6Confident88Confident104 Ų10458.2 Ų58.249%0.48632%0.316SS..THydrogen-bonded Turntrans-89.4-8.7-174.4-67.6153.1-120.100113.7C368 Y369 G370 P375C368-E373 HydrophobicContact CB-CB 3.7Å; Y369-E373 VanDerWaalsContact CB-OE2 3.29Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.43Å; Y369-E373 PolarHBondContact N-OE2 2.73Å; G370-E373 PolarHBondContact O-N 2.99Å; E373-P375 WeakPolarHBondContact O-CD 3.34Å
374A84.6Confident88.3Confident1 Ų155.7 Ų55.71%0.00831%0.305CS..  trans-69.7120.1176.400000110.4G370 I377 R382 W403G370-A374 PolarHBondContact O-N 2.86Å; A374-I377 HydrophobicContact CB-CD1 3.84Å; A374-I377 HydrophobicContact CB-CG1 4.29Å; A374-R382 PolarHBondContact O-NH2 2.88Å; A374-W403 HydrophobicContact CB-CB 4.25Å; A374-W403 HydrophobicContact CB-CE3 4.05Å
375P80.1Confident88.5Confident47 Ų4751.7 Ų51.731%0.30527%0.272SS..SBendtrans-72.6149.2178.629.9-33.6000111.3E373 I377 P404 S407E373-P375 WeakPolarHBondContact O-CD 3.34Å; P375-I377 PolarHBondContact O-N 3.22Å; P375-P404 HydrophobicContact CG-CB 3.8Å; P375-S407 WeakPolarHBondContact O-CB 3.29Å; P375-S407 PolarHBondContact O-OG 3.21Å
376D84.8Confident88.5Confident102 Ų10256.2 Ų56.255%0.54529%0.292SS..SBendtrans58.60.3172.2-42.9-39.2000117.8Q432D376-Q432 PolarHBondContact O-NE2 3.41Å
377I88.9Confident88.4Confident4 Ų456.2 Ų56.22%0.02128%0.284CS..  trans-75122.7163.5-54.5-174.2000108.7A374 P375 I381 R382 W403A374-I377 HydrophobicContact CB-CD1 3.84Å; A374-I377 HydrophobicContact CB-CG1 4.29Å; P375-I377 PolarHBondContact O-N 3.22Å; I377-I381 HydrophobicContact CG2-CB 4.06Å; I377-I381 HydrophobicContact CG2-CG2 3.56Å; I377-R382 HydrophobicContact CG2-CG 4.03Å; I377-R382 PolarHBondContact O-NE 3.07Å; I377-R382 PolarHBondContact O-NH2 3.42Å; I377-W403 HydrophobicContact CD1-CB 4.19Å; I377-W403 HydrophobicContact CD1-CD2 4.31Å; I377-W403 HydrophobicContact CD1-CG 4.06Å
378S90.5Very high88.2Confident33 Ų3357 Ų5723%0.23129%0.286CS..  trans-68.4156.3-176.671.50000113.3I380 I381 R382 Q432S378-I380 PolarHBondContact O-N 3.06Å; S378-I381 PolarHBondContact O-N 3.48Å; S378-I381 WeakPolarHBondContact OG-CB 3.36Å; S378-I381 WeakPolarHBondContact OG-CG1 3.47Å; S378-I381 PolarHBondContact OG-N 3.31Å; S378-R382 VanDerWaalsContact O-CG 3.29Å; S378-R382 WeakPolarHBondContact O-CG 3.29Å; S378-R382 PolarHBondContact O-N 3.19Å; S378-Q432 PolarHBondContact OG-OE1 2.91Å
379T90.2Very high87.9Confident109 Ų10958.1 Ų58.167%0.66930%0.297SS*.Hα-helixtrans-61-32.217650.20000112.7R383T379-R383 PolarHBondContact O-N 3.33Å
380I91.6Very high87.8Confident60 Ų6053.6 Ų53.631%0.30828%0.282SS..Hα-helixtrans-64.7-50.3175.2-60.3176.1000110.4S378 R382 R383 A384 L473 L474S378-I380 PolarHBondContact O-N 3.06Å; I380-R382 PolarHBondContact O-N 3.01Å; I380-R383 WeakPolarHBondContact O-CB 3.41Å; I380-R383 PolarHBondContact O-N 3.32Å; I380-R383 VanDerWaalsContact O-N 3.15Å; I380-A384 PolarHBondContact O-N 3.01Å; I380-L473 VanDerWaalsContact CG2-C 3.49Å; I380-L473 HydrophobicContact CG2-CB 3.6Å; I380-L473 WeakPolarHBondContact CG2-O 3.2Å; I380-L474 HydrophobicContact CB-CD2 4.15Å; I380-L474 HydrophobicContact CD1-CD2 4.33Å; I380-L474 HydrophobicContact CG2-CD2 3.88Å; I380-L474 HydrophobicContact CG2-CG 4.4Å
381I92.8Very high87.5Confident0 Ų054.1 Ų54.10%029%0.285CS..Hα-helixtrans-64.9-40.1178.1-71-74.9000111.2I377 S378 R383 A384 M385 P428 Q432 L470 L474I377-I381 HydrophobicContact CG2-CB 4.06Å; I377-I381 HydrophobicContact CG2-CG2 3.56Å; S378-I381 PolarHBondContact O-N 3.48Å; S378-I381 WeakPolarHBondContact OG-CB 3.36Å; S378-I381 WeakPolarHBondContact OG-CG1 3.47Å; S378-I381 PolarHBondContact OG-N 3.31Å; I381-R383 VanDerWaalsContact C-N 3.28Å; I381-R383 PolarHBondContact O-N 3.48Å; I381-A384 PolarHBondContact O-N 2.86Å; I381-M385 HydrophobicContact CG2-CG 4.37Å; I381-M385 HydrophobicContact CG2-SD 4Å; I381-M385 WeakPolarHBondContact O-CB 3.19Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.27Å; I381-M385 PolarHBondContact O-N 2.81Å; I381-P428 HydrophobicContact CG2-CB 3.68Å; I381-Q432 HydrophobicContact CD1-CB 4.47Å; I381-Q432 HydrophobicContact CG1-CB 4.09Å; I381-Q432 HydrophobicContact CG1-CG 4.23Å; I381-L470 HydrophobicContact CD1-CB 3.99Å; I381-L470 HydrophobicContact CD1-CD2 4.01Å; I381-L470 WeakPolarHBondContact CD1-O 3.28Å; I381-L470 HydrophobicContact CG2-CD2 4.23Å; I381-L474 HydrophobicContact CD1-CD1 4.21Å; I381-L474 HydrophobicContact CD1-CG 4.46Å; I381-L474 HydrophobicContact CG1-CD2 4.31Å
382R91Very high87Confident53 Ų5362.9 Ų62.920%0.232%0.317CS..Hα-helixtrans-56.5-41.5172.5-67.6171.5-154.1-1414.7111.6L371 T372 A374 I377 S378 I380 M385 Q386L371-R382 WeakPolarHBondContact O-CD 3.43Å; L371-R382 VanDerWaalsContact O-CZ 3.28Å; L371-R382 PolarHBondContact O-NE 3.27Å; L371-R382 PolarHBondContact O-NH1 3.28Å; T372-R382 VanDerWaalsContact C-NH1 3.32Å; T372-R382 PolarHBondContact O-NH1 3.02Å; A374-R382 PolarHBondContact O-NH2 2.88Å; I377-R382 HydrophobicContact CG2-CG 4.03Å; I377-R382 PolarHBondContact O-NE 3.07Å; I377-R382 PolarHBondContact O-NH2 3.42Å; S378-R382 VanDerWaalsContact O-CG 3.29Å; S378-R382 WeakPolarHBondContact O-CG 3.29Å; S378-R382 PolarHBondContact O-N 3.19Å; I380-R382 PolarHBondContact O-N 3.01Å; R382-M385 PolarHBondContact O-N 2.98Å; R382-Q386 VanDerWaalsContact O-CG 3.27Å; R382-Q386 WeakPolarHBondContact O-CG 3.43Å; R382-Q386 PolarHBondContact O-N 3.33Å
383R89.2Confident86.6Confident151 Ų15162.5 Ų62.557%0.5732%0.32SS*.Hα-helixtrans-65.9-45.9176.6-173.7-176.8-68.3154.2-2.9112.3T379 I380 I381 M385 Q386 Q387T379-R383 PolarHBondContact O-N 3.33Å; I380-R383 WeakPolarHBondContact O-CB 3.41Å; I380-R383 PolarHBondContact O-N 3.32Å; I380-R383 VanDerWaalsContact O-N 3.15Å; I381-R383 VanDerWaalsContact C-N 3.28Å; I381-R383 PolarHBondContact O-N 3.48Å; R383-M385 VanDerWaalsContact C-N 3.33Å; R383-M385 PolarHBondContact O-N 3.17Å; R383-Q386 PolarHBondContact O-N 3.43Å; R383-Q387 WeakPolarHBondContact O-CG 3.43Å; R383-Q387 PolarHBondContact O-N 3.31Å
384A91.4Very high86.6Confident0 Ų064.9 Ų64.90%032%0.324CS..Hα-helixtrans-58.5-44.617500000111.6I380 I381 Q386 Q387 M388 L470 L473I380-A384 PolarHBondContact O-N 3.01Å; I381-A384 PolarHBondContact O-N 2.86Å; A384-Q386 PolarHBondContact O-N 2.92Å; A384-Q387 PolarHBondContact O-N 2.87Å; A384-M388 HydrophobicContact CB-CE 4.17Å; A384-M388 WeakPolarHBondContact O-CE 3.33Å; A384-M388 PolarHBondContact O-N 3.18Å; A384-M388 VanDerWaalsContact O-N 3.09Å; A384-L470 HydrophobicContact CB-CD2 4.03Å; A384-L473 HydrophobicContact CB-CD1 3.87Å; A384-L473 HydrophobicContact CB-CG 4.37Å
385M92.1Very high86.9Confident0 Ų065 Ų650%033%0.325CS..Hα-helixtrans-60-44175.8-71.7178.678.600112.4L371 I381 R382 R383 M388 G389 V390 W403 W424 P428 L470L371-M385 HydrophobicContact CD1-CB 4.09Å; L371-M385 HydrophobicContact CD1-CE 4.48Å; L371-M385 HydrophobicContact CD2-CE 3.66Å; L371-M385 HydrophobicContact CD2-SD 3.73Å; I381-M385 HydrophobicContact CG2-CG 4.37Å; I381-M385 HydrophobicContact CG2-SD 4Å; I381-M385 WeakPolarHBondContact O-CB 3.19Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.27Å; I381-M385 PolarHBondContact O-N 2.81Å; R382-M385 PolarHBondContact O-N 2.98Å; R383-M385 VanDerWaalsContact C-N 3.33Å; R383-M385 PolarHBondContact O-N 3.17Å; M385-M388 CarbonylContact O-C 3.58Å; M385-M388 PolarHBondContact O-N 3.39Å; M385-G389 PolarHBondContact O-N 2.74Å; M385-V390 HydrophobicContact CB-CB 4.12Å; M385-V390 HydrophobicContact CE-CB 4.32Å; M385-V390 HydrophobicContact CE-CG1 3.61Å; M385-V390 WeakPolarHBondContact O-CB 3.47Å; M385-V390 PolarHBondContact O-N 3.03Å; M385-W403 HydrophobicContact CE-CH2 4.06Å; M385-W403 HydrophobicContact CE-CZ2 3.57Å; M385-W424 HydrophobicContact CE-CE3 4.19Å; M385-W424 HydrophobicContact CE-CZ3 4.49Å; M385-W424 HydrophobicContact CG-CZ3 4.12Å; M385-P428 HydrophobicContact CE-CB 4.2Å; M385-P428 HydrophobicContact CE-CG 3.43Å; M385-P428 VanDerWaalsContact CE-CG 3.43Å; M385-P428 HydrophobicContact CG-CG 4.35Å; M385-P428 HydrophobicContact SD-CB 3.56Å; M385-P428 VanDerWaalsContact SD-CB 3.56Å; M385-P428 HydrophobicContact SD-CG 3.46Å; M385-P428 WeakPolarHBondContact SD-CG 3.31Å; M385-L470 HydrophobicContact CG-CD2 4Å
386Q88.8Confident87.4Confident107 Ų10768.9 Ų68.950%0.533%0.334SS..Hα-helixtrans-62.8-41.9177.1-75.1168.1-2500112.6L371 R382 R383 A384 G389L371-Q386 HydrophobicContact CD1-CG 4.39Å; R382-Q386 VanDerWaalsContact O-CG 3.27Å; R382-Q386 WeakPolarHBondContact O-CG 3.43Å; R382-Q386 PolarHBondContact O-N 3.33Å; R383-Q386 PolarHBondContact O-N 3.43Å; A384-Q386 PolarHBondContact O-N 2.92Å; Q386-G389 WeakPolarHBondContact O-CA 3.43Å; Q386-G389 PolarHBondContact O-N 2.83Å
387Q88Confident87.7Confident118 Ų11865.2 Ų65.255%0.55132%0.317SS*.Hα-helixtrans-59.5-46175-73.1172.9-20.800111.4R383 A384 G389R383-Q387 WeakPolarHBondContact O-CG 3.43Å; R383-Q387 PolarHBondContact O-N 3.31Å; A384-Q387 PolarHBondContact O-N 2.87Å; Q387-G389 PolarHBondContact O-N 3.49Å; Q387-G389 VanDerWaalsContact O-N 3.09Å
388M88.6Confident87.9Confident55 Ų5565 Ų6527%0.27132%0.316SS..THydrogen-bonded Turntrans-71.24.8173-70.5179.1-78.800114.4A384 M385 V390 W424 T469 L470A384-M388 HydrophobicContact CB-CE 4.17Å; A384-M388 WeakPolarHBondContact O-CE 3.33Å; A384-M388 PolarHBondContact O-N 3.18Å; A384-M388 VanDerWaalsContact O-N 3.09Å; M385-M388 CarbonylContact O-C 3.58Å; M385-M388 PolarHBondContact O-N 3.39Å; M388-V390 HydrophobicContact CB-CG2 4.18Å; M388-V390 PolarHBondContact O-N 2.94Å; M388-W424 HydrophobicContact CE-CH2 3.69Å; M388-W424 HydrophobicContact CE-CZ3 4.42Å; M388-W424 HydrophobicContact SD-CH2 3.79Å; M388-W424 HydrophobicContact SD-CZ2 4.16Å; M388-T469 HydrophobicContact CE-CG2 3.78Å; M388-T469 HydrophobicContact CG-CG2 3.91Å; M388-T469 HydrophobicContact SD-CG2 3.72Å; M388-L470 HydrophobicContact CE-CD2 3.76Å; M388-L470 HydrophobicContact CE-CG 3.92Å
389G85.9Confident88.1Confident28 Ų2863.5 Ų63.529%0.28931%0.306SS..THydrogen-bonded Turntrans73.59.3178.400000115.4M385 Q386 Q387 A391M385-G389 PolarHBondContact O-N 2.74Å; Q386-G389 WeakPolarHBondContact O-CA 3.43Å; Q386-G389 PolarHBondContact O-N 2.83Å; Q387-G389 PolarHBondContact O-N 3.49Å; Q387-G389 VanDerWaalsContact O-N 3.09Å; G389-A391 PolarHBondContact O-N 2.81Å
390V85.6Confident88.3Confident19 Ų1958.9 Ų58.912%0.11528%0.276CS..THydrogen-bonded Turntrans-72.8123.1179.4-174.20000109.5M385 M388 R392 W424M385-V390 HydrophobicContact CB-CB 4.12Å; M385-V390 HydrophobicContact CE-CB 4.32Å; M385-V390 HydrophobicContact CE-CG1 3.61Å; M385-V390 WeakPolarHBondContact O-CB 3.47Å; M385-V390 PolarHBondContact O-N 3.03Å; M388-V390 HydrophobicContact CB-CG2 4.18Å; M388-V390 PolarHBondContact O-N 2.94Å; V390-R392 VanDerWaalsContact C-N 3.3Å; V390-R392 PolarHBondContact O-N 3.25Å; V390-W424 HydrophobicContact CG1-CD2 4.2Å; V390-W424 HydrophobicContact CG1-CE3 4.08Å; V390-W424 HydrophobicContact CG1-CG 4.46Å; V390-W424 HydrophobicContact CG2-CD2 3.86Å; V390-W424 HydrophobicContact CG2-CE3 3.96Å; V390-W424 HydrophobicContact CG2-CH2 3.97Å; V390-W424 HydrophobicContact CG2-CZ2 3.84Å; V390-W424 HydrophobicContact CG2-CZ3 4.02Å
391A79.6Confident88.4Confident19 Ų1956.1 Ų56.116%0.15726%0.261CS..THydrogen-bonded Turntrans53.535.9175.700000115.9L371 G389 S393 R394 W403L371-A391 HydrophobicContact CD1-CB 4.02Å; L371-A391 HydrophobicContact CG-CB 4.07Å; G389-A391 PolarHBondContact O-N 2.81Å; A391-S393 PolarHBondContact O-N 3.05Å; A391-R394 WeakPolarHBondContact CA-O 3.47Å; A391-R394 WeakPolarHBondContact CB-O 3.15Å; A391-W403 HydrophobicContact CB-CH2 3.75Å; A391-W403 HydrophobicContact CB-CZ3 4.49Å
392R74.1Confident88.5Confident195 Ų19556.1 Ų56.174%0.73626%0.261SS*.SBendtrans-45.6-33.3177.4-76.8-177.3176166.44.8115.1V390V390-R392 VanDerWaalsContact C-N 3.3Å; V390-R392 PolarHBondContact O-N 3.25Å
393S75.3Confident88.7Confident108 Ų10853.6 Ų53.676%0.75525%0.252SS*.SBendtrans-125.1-26.5179.558.30000115A391A391-S393 PolarHBondContact O-N 3.05Å
394R85.8Confident88.9Confident154 Ų15447.1 Ų47.158%0.58123%0.229SC*.  trans-163.6153.6177.461.8-175-178.5-1730.1112.1Y369 A391Y369-R394 HydrophobicContact CD1-CB 4.44Å; Y369-R394 HydrophobicContact CE1-CB 4.03Å; A391-R394 WeakPolarHBondContact CA-O 3.47Å; A391-R394 WeakPolarHBondContact CB-O 3.15Å
395A90.3Very high89Confident2 Ų247.3 Ų47.32%0.01723%0.23CC..  trans-69.1141.2168.500000110.9Y369 Q399 R400 W403Y369-A395 WeakPolarHBondContact O-CB 3.46Å; Y369-A395 PolarHBondContact O-N 2.82Å; A395-Q399 HydrophobicContact CB-CB 4.4Å; A395-R400 HydrophobicContact CB-CG 3.95Å; A395-R400 PolarHBondContact O-NE 3.1Å; A395-R400 PolarHBondContact O-NH2 2.84Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 4.02Å; A395-W403 HydrophobicContact CB-CZ3 3.51Å
396R91.6Very high89Confident130 Ų13047.3 Ų47.349%0.49123%0.231SC..  trans-73.7155.8176.3-58.4179.3172.2-167.5-8110.9V398 Q399 R400 Q419 I420R396-V398 PolarHBondContact O-N 3.04Å; R396-Q399 HydrophobicContact CB-CG 4.25Å; R396-Q399 VanDerWaalsContact N-OE1 3.09Å; R396-Q399 WeakPolarHBondContact O-CA 3.37Å; R396-Q399 VanDerWaalsContact O-CB 3.3Å; R396-Q399 WeakPolarHBondContact O-CB 3.45Å; R396-Q399 PolarHBondContact O-N 2.79Å; R396-R400 WeakPolarHBondContact O-CG 3.42Å; R396-R400 PolarHBondContact O-N 3.19Å; R396-Q419 PolarHBondContact NH1-O 3.03Å; R396-I420 WeakPolarHBondContact CD-O 3.36Å; R396-I420 VanDerWaalsContact NH1-C 3.33Å; R396-I420 PolarHBondContact NH1-O 2.79Å
397A90.8Very high89.1Confident24 Ų2442.5 Ų42.520%0.19821%0.209CC..Hα-helixtrans-48.7-52.1-164.800000114.6Y355 V357 Q399 R400Y355-A397 WeakPolarHBondContact O-CB 3.46Å; V357-A397 HydrophobicContact CG2-CB 3.5Å; A397-Q399 PolarHBondContact O-N 3.43Å; A397-R400 WeakPolarHBondContact O-CB 3.37Å; A397-R400 PolarHBondContact O-N 2.97Å
398V93.6Very high89.2Confident0 Ų041.1 Ų41.10%020%0.204CC..Hα-helixtrans-66.4-34.9176.5-67.40000113.8V357 R396 R400 F401 A402 V414 I420 L596 D598V357-V398 HydrophobicContact CG1-CG1 4.27Å; V357-V398 HydrophobicContact CG2-CG1 3.64Å; R396-V398 PolarHBondContact O-N 3.04Å; V398-R400 PolarHBondContact O-N 3.28Å; V398-F401 PolarHBondContact O-N 3.38Å; V398-A402 WeakPolarHBondContact O-CB 3.12Å; V398-A402 PolarHBondContact O-N 3.29Å; V398-V414 HydrophobicContact CB-CG1 4.03Å; V398-V414 HydrophobicContact CG1-CG1 4.02Å; V398-V414 HydrophobicContact CG2-CG1 4.16Å; V398-I420 HydrophobicContact CG1-CD1 4.48Å; V398-I420 HydrophobicContact CG2-CD1 4.41Å; V398-L596 HydrophobicContact CB-CD1 4.13Å; V398-L596 HydrophobicContact CG1-CB 4.3Å; V398-L596 WeakPolarHBondContact O-CD1 3.15Å; V398-D598 HydrophobicContact CG1-CB 3.8Å
399Q94.2Very high89.2Confident2 Ų238.7 Ų38.71%0.00919%0.194CC..Hα-helixtrans-64-32-179.4-63.5171.7-2200111.8A395 R396 A397 F401 A402 W403 G421 W424 S425A395-Q399 HydrophobicContact CB-CB 4.4Å; R396-Q399 HydrophobicContact CB-CG 4.25Å; R396-Q399 VanDerWaalsContact N-OE1 3.09Å; R396-Q399 WeakPolarHBondContact O-CA 3.37Å; R396-Q399 VanDerWaalsContact O-CB 3.3Å; R396-Q399 WeakPolarHBondContact O-CB 3.45Å; R396-Q399 PolarHBondContact O-N 2.79Å; A397-Q399 PolarHBondContact O-N 3.43Å; Q399-F401 PolarHBondContact O-N 3.2Å; Q399-A402 PolarHBondContact O-N 3.01Å; Q399-W403 HydrophobicContact CB-CD2 4.1Å; Q399-W403 HydrophobicContact CB-CH2 4.38Å; Q399-W403 HydrophobicContact CB-CZ2 3.92Å; Q399-W403 HydrophobicContact CG-CZ2 4.14Å; Q399-W403 WeakPolarHBondContact O-CB 3.43Å; Q399-W403 PolarHBondContact O-N 2.73Å; Q399-G421 PolarHBondContact NE2-O 3.27Å; Q399-W424 VanDerWaalsContact NE2-CB 3.33Å; Q399-S425 WeakPolarHBondContact CG-OG 3.39Å
400R93.6Very high89.5Confident12 Ų1238.7 Ų38.75%0.04519%0.186CC..Hα-helixtrans-55-39177.6-60.3-177.7169.1-129.7-29.1112.8Y355 P367 C368 Y369 A395 R396 A397 V398 P404Y355-R400 VanDerWaalsContact CD1-NH1 3.34Å; Y355-R400 VanDerWaalsContact CE1-NH1 3.29Å; P367-R400 CarbonylContact C-O 3.26Å; P367-R400 WeakPolarHBondContact CA-O 3.36Å; P367-R400 HydrophobicContact CB-CB 4.13Å; C368-R400 PolarHBondContact N-O 2.81Å; C368-R400 WeakPolarHBondContact O-CA 3.36Å; C368-R400 VanDerWaalsContact O-CB 3.23Å; C368-R400 WeakPolarHBondContact O-CB 3.4Å; C368-R400 VanDerWaalsContact O-CG 3.22Å; C368-R400 WeakPolarHBondContact O-CG 3.45Å; C368-R400 PolarHBondContact SG-O 2.96Å; Y369-R400 VanDerWaalsContact CD2-NH2 3.26Å; Y369-R400 VanDerWaalsContact CE2-NH2 3.29Å; Y369-R400 PolarHBondContact O-NH2 2.91Å; Y369-R400 VanDerWaalsContact O-NH2 3.17Å; A395-R400 HydrophobicContact CB-CG 3.95Å; A395-R400 PolarHBondContact O-NE 3.1Å; A395-R400 PolarHBondContact O-NH2 2.84Å; R396-R400 WeakPolarHBondContact O-CG 3.42Å; R396-R400 PolarHBondContact O-N 3.19Å; A397-R400 WeakPolarHBondContact O-CB 3.37Å; A397-R400 PolarHBondContact O-N 2.97Å; V398-R400 PolarHBondContact O-N 3.28Å; R400-P404 WeakPolarHBondContact O-CD 3.31Å; R400-P404 WeakPolarHBondContact O-CG 3.49Å
401F94.8Very high89.9Confident1 Ų138 Ų380%0.00418%0.182CC..Hα-helixtrans-93.4-36.3178.5-58.7-86.3000112.1Y352 N354 Y355 V357 V365 P367 V398 Q399 L594 L596Y352-F401 HydrophobicContact CD1-CE1 4.27Å; Y352-F401 HydrophobicContact CG-CE1 4.15Å; N354-F401 HydrophobicContact CB-CZ 4.2Å; Y355-F401 HydrophobicContact CD2-CE2 4.14Å; Y355-F401 HydrophobicContact CD2-CZ 4.14Å; V357-F401 HydrophobicContact CB-CE2 4.24Å; V357-F401 HydrophobicContact CG1-CD2 4.21Å; V357-F401 HydrophobicContact CG1-CE2 4.18Å; V365-F401 HydrophobicContact CG1-CB 4.25Å; V365-F401 HydrophobicContact CG1-CD1 4.29Å; V365-F401 WeakPolarHBondContact CG1-O 3.21Å; P367-F401 HydrophobicContact CB-CD1 3.86Å; P367-F401 HydrophobicContact CB-CE1 3.79Å; P367-F401 HydrophobicContact CB-CG 4.35Å; P367-F401 HydrophobicContact CB-CZ 4.24Å; P367-F401 HydrophobicContact CG-CD1 4.43Å; P367-F401 HydrophobicContact CG-CE1 3.98Å; P367-F401 HydrophobicContact CG-CZ 4.49Å; V398-F401 PolarHBondContact O-N 3.38Å; Q399-F401 PolarHBondContact O-N 3.2Å; F401-L594 HydrophobicContact CB-CD2 4.07Å; F401-L594 WeakPolarHBondContact O-CD2 3.36Å; F401-L596 HydrophobicContact CB-CD1 4.07Å; F401-L596 HydrophobicContact CB-CD2 3.8Å; F401-L596 HydrophobicContact CD2-CD2 4.35Å; F401-L596 HydrophobicContact CG-CD2 4.2Å
402A95.3Very high90.7Very high0 Ų037.1 Ų37.10%018%0.175CC..Hα-helixtrans-68.9-47.1-175.300000113.1V398 Q399 H405 V406 V412 S425 L596V398-A402 WeakPolarHBondContact O-CB 3.12Å; V398-A402 PolarHBondContact O-N 3.29Å; Q399-A402 PolarHBondContact O-N 3.01Å; A402-H405 PolarHBondContact O-N 3.08Å; A402-H405 VanDerWaalsContact O-N 3.17Å; A402-V406 VanDerWaalsContact O-CB 3.29Å; A402-V406 WeakPolarHBondContact O-CB 3.41Å; A402-V406 VanDerWaalsContact O-CG2 3.25Å; A402-V406 WeakPolarHBondContact O-CG2 3.25Å; A402-V406 PolarHBondContact O-N 3.36Å; A402-V412 HydrophobicContact CB-CG2 4.39Å; A402-S425 WeakPolarHBondContact CB-O 3.16Å; A402-L596 HydrophobicContact CB-CD1 3.93Å
403W94.8Very high91.7Very high0 Ų027.9 Ų27.90%014%0.14CC..Hα-helixtrans-55.1-53.4-178.7-67.7-19000113.6L371 A374 I377 M385 A391 A395 Q399 H405 V406 S407 W424L371-W403 HydrophobicContact CD2-CE3 4.17Å; L371-W403 HydrophobicContact CD2-CH2 3.51Å; L371-W403 HydrophobicContact CD2-CZ2 4.17Å; L371-W403 HydrophobicContact CD2-CZ3 3.5Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.5Å; L371-W403 HydrophobicContact CG-CH2 3.86Å; L371-W403 HydrophobicContact CG-CZ3 3.83Å; A374-W403 HydrophobicContact CB-CB 4.25Å; A374-W403 HydrophobicContact CB-CE3 4.05Å; I377-W403 HydrophobicContact CD1-CB 4.19Å; I377-W403 HydrophobicContact CD1-CD2 4.31Å; I377-W403 HydrophobicContact CD1-CG 4.06Å; M385-W403 HydrophobicContact CE-CH2 4.06Å; M385-W403 HydrophobicContact CE-CZ2 3.57Å; A391-W403 HydrophobicContact CB-CH2 3.75Å; A391-W403 HydrophobicContact CB-CZ3 4.49Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 4.02Å; A395-W403 HydrophobicContact CB-CZ3 3.51Å; Q399-W403 HydrophobicContact CB-CD2 4.1Å; Q399-W403 HydrophobicContact CB-CH2 4.38Å; Q399-W403 HydrophobicContact CB-CZ2 3.92Å; Q399-W403 HydrophobicContact CG-CZ2 4.14Å; Q399-W403 WeakPolarHBondContact O-CB 3.43Å; Q399-W403 PolarHBondContact O-N 2.73Å; W403-H405 PolarHBondContact O-N 3.05Å; W403-V406 PolarHBondContact O-N 3.36Å; W403-S407 WeakPolarHBondContact O-CB 3.35Å; W403-S407 PolarHBondContact O-N 3.4Å; W403-S407 PolarHBondContact O-OG 2.63Å; W403-S407 VanDerWaalsContact O-OG 3.12Å; W403-W424 PolarHBondContact NE1-O 3.38Å
404P93.1Very high92.8Very high15 Ų1522.7 Ų22.710%0.09710%0.104CC..Hα-helixtrans-68.4-14.4179.526.3-35000115V365 V366 P375 R400 L408V365-P404 HydrophobicContact CG1-CG 4.36Å; V366-P404 VanDerWaalsContact O-CG 3.31Å; V366-P404 WeakPolarHBondContact O-CG 3.4Å; P375-P404 HydrophobicContact CG-CB 3.8Å; R400-P404 WeakPolarHBondContact O-CD 3.31Å; R400-P404 WeakPolarHBondContact O-CG 3.49Å; P404-L408 WeakPolarHBondContact O-CD1 3.38Å; P404-L408 WeakPolarHBondContact O-CG 3.49Å
405H93.1Very high93.2Very high4 Ų415.4 Ų15.42%0.0198%0.076CC..Hα-helixtrans-93.8-40.8175.8-175.790.5000112.1V365 A402 W403 K410 S411 D592 L594V365-H405 HydrophobicContact CG2-CB 4.34Å; A402-H405 PolarHBondContact O-N 3.08Å; A402-H405 VanDerWaalsContact O-N 3.17Å; W403-H405 PolarHBondContact O-N 3.05Å; H405-K410 WeakPolarHBondContact NE2-CB 3.35Å; H405-K410 PolarHBondContact O-N 3.31Å; H405-S411 PolarHBondContact CD2-O 3.31Å; H405-S411 PolarHBondContact NE2-O 3.5Å; H405-D592 PolarHBondContact CE1-O 3.14Å; H405-D592 PolarHBondContact NE2-O 3.14Å; H405-D592 VanDerWaalsContact NE2-O 3.16Å; H405-L594 HydrophobicContact CB-CD2 3.7Å; H405-L594 VanDerWaalsContact CD2-CB 3.43Å; H405-L594 WeakPolarHBondContact CD2-CB 3.28Å; H405-L594 WeakPolarHBondContact NE2-CB 3.42Å; H405-L594 PolarHBondContact NE2-N 3.3Å
406V93.4Very high93.3Very high1 Ų115.3 Ų15.31%0.0068%0.075CC..Hα-helixtrans-74-35-178.1172.60000111.9A402 W403 L408 G409 V412 T429 Q569 L571A402-V406 VanDerWaalsContact O-CB 3.29Å; A402-V406 WeakPolarHBondContact O-CB 3.41Å; A402-V406 VanDerWaalsContact O-CG2 3.25Å; A402-V406 WeakPolarHBondContact O-CG2 3.25Å; A402-V406 PolarHBondContact O-N 3.36Å; W403-V406 PolarHBondContact O-N 3.36Å; V406-L408 VanDerWaalsContact C-N 3.32Å; V406-L408 PolarHBondContact O-N 2.93Å; V406-G409 WeakPolarHBondContact O-CA 3.38Å; V406-G409 PolarHBondContact O-N 3.22Å; V406-V412 HydrophobicContact CG2-CB 3.71Å; V406-V412 HydrophobicContact CG2-CG1 3.54Å; V406-V412 HydrophobicContact CG2-CG2 4.24Å; V406-T429 HydrophobicContact CG1-CG2 4.03Å; V406-Q569 PolarHBondContact O-NE2 3.05Å; V406-L571 HydrophobicContact CG1-CD2 3.99Å; V406-L571 HydrophobicContact CG2-CD2 4.16Å
407S90.3Very high93.1Very high6 Ų612.2 Ų12.24%0.0427%0.069CC..THydrogen-bonded Turntrans-63.6-37177.866.30000112.8P375 W403 G409P375-S407 WeakPolarHBondContact O-CB 3.29Å; P375-S407 PolarHBondContact O-OG 3.21Å; W403-S407 WeakPolarHBondContact O-CB 3.35Å; W403-S407 PolarHBondContact O-N 3.4Å; W403-S407 PolarHBondContact O-OG 2.63Å; W403-S407 VanDerWaalsContact O-OG 3.12Å; S407-G409 PolarHBondContact O-N 3.32Å
408L88.9Confident92.7Very high88 Ų8815.6 Ų15.646%0.4618%0.083SC..THydrogen-bonded Turntrans-67.54.9169.1-59.9177.9000114.5P404 V406 K410P404-L408 WeakPolarHBondContact O-CD1 3.38Å; P404-L408 WeakPolarHBondContact O-CG 3.49Å; V406-L408 VanDerWaalsContact C-N 3.32Å; V406-L408 PolarHBondContact O-N 2.93Å; L408-K410 PolarHBondContact O-N 3.31Å
409G88.9Confident92.1Very high5 Ų524.2 Ų24.25%0.05212%0.123CC..THydrogen-bonded Turntrans76.515.3176.600000115.6V406 S407 R433 Q569V406-G409 WeakPolarHBondContact O-CA 3.38Å; V406-G409 PolarHBondContact O-N 3.22Å; S407-G409 PolarHBondContact O-N 3.32Å; G409-R433 VanDerWaalsContact CA-NH1 3.29Å; G409-Q569 VanDerWaalsContact C-CD 3.43Å; G409-Q569 WeakPolarHBondContact O-CG 3.49Å
410K91.9Very high91.6Very high28 Ų2825.2 Ų25.212%0.12213%0.128CC..  trans-90.2147.7178.7-60-176.9-178.7-179.40112.1H363 H405 L408 Q565 Q569H363-K410 PolarHBondContact CE1-NZ 2.85Å; H363-K410 PolarHBondContact ND1-NZ 2.9Å; H405-K410 WeakPolarHBondContact NE2-CB 3.35Å; H405-K410 PolarHBondContact O-N 3.31Å; L408-K410 PolarHBondContact O-N 3.31Å; K410-Q565 HydrophobicContact CG-CG 4.35Å; K410-Q569 PolarHBondContact O-NE2 3.05Å
411S94.5Very high91.3Very high5 Ų525 Ų254%0.03513%0.129CC..  trans-69.1148.5-176.4-61.90000112.3H405 L570 V593 L594H405-S411 PolarHBondContact CD2-O 3.31Å; H405-S411 PolarHBondContact NE2-O 3.5Å; S411-L570 WeakPolarHBondContact CA-O 3.43Å; S411-L570 WeakPolarHBondContact CB-O 3.39Å; S411-L570 PolarHBondContact OG-N 3.29Å; S411-L570 VanDerWaalsContact OG-N 3.13Å; S411-L570 PolarHBondContact OG-O 3.46Å; S411-V593 WeakPolarHBondContact O-CA 3.38Å; S411-L594 PolarHBondContact O-N 2.83Å; S411-L594 VanDerWaalsContact O-N 3.07Å
412V95.9Very high91.3Very high0 Ų025.4 Ų25.40%013%0.131CC..EExtended strand (participates in β ladder)trans-137.9140.8-178.5790000111.8A402 V406 V414 Y426 L570 L571 V572 M590 L594A402-V412 HydrophobicContact CB-CG2 4.39Å; V406-V412 HydrophobicContact CG2-CB 3.71Å; V406-V412 HydrophobicContact CG2-CG1 3.54Å; V406-V412 HydrophobicContact CG2-CG2 4.24Å; V412-V414 HydrophobicContact CG1-CG2 4.37Å; V412-V414 HydrophobicContact CG2-CG2 3.96Å; V412-Y426 HydrophobicContact CG1-CD1 4.41Å; V412-L570 PolarHBondContact N-O 2.91Å; V412-L571 HydrophobicContact CG1-CD2 3.75Å; V412-V572 PolarHBondContact O-N 2.83Å; V412-M590 VanDerWaalsContact O-CE 3.27Å; V412-M590 WeakPolarHBondContact O-CE 3.46Å; V412-L594 WeakPolarHBondContact CA-O 3.38Å; V412-L594 HydrophobicContact CG2-CB 4.2Å; V412-L594 HydrophobicContact CG2-CD2 4.23Å; V412-L594 HydrophobicContact CG2-CG 4.29Å; V412-L594 WeakPolarHBondContact CG2-O 3.48Å
413L96.6Very high91.3Very high0 Ų026.2 Ų26.20%014%0.136CC..EExtended strand (participates in β ladder)trans-123.5111.3173.5171.758000108.9V415 V572 W577 M582 L587 M590 V593 L594 V595 L596L413-V415 HydrophobicContact CD1-CG2 4.15Å; L413-V415 HydrophobicContact CG-CG2 4.34Å; L413-V572 CarbonylContact C-O 3.57Å; L413-V572 WeakPolarHBondContact CA-O 3.42Å; L413-V572 HydrophobicContact CD1-CB 3.72Å; L413-V572 HydrophobicContact CD1-CG1 3.59Å; L413-W577 HydrophobicContact CD2-CH2 4.08Å; L413-W577 HydrophobicContact CD2-CZ3 3.6Å; L413-W577 HydrophobicContact CG-CZ3 4.46Å; L413-M582 HydrophobicContact CD1-CE 4.35Å; L413-M582 HydrophobicContact CD1-SD 4Å; L413-M582 HydrophobicContact CD2-SD 4.01Å; L413-L587 HydrophobicContact CD2-CD2 3.86Å; L413-L587 HydrophobicContact CD2-CG 4.49Å; L413-M590 HydrophobicContact CB-CE 4.22Å; L413-V593 HydrophobicContact CB-CG2 4.03Å; L413-L594 PolarHBondContact N-O 3.03Å; L413-V595 HydrophobicContact CB-CG2 4.46Å; L413-V595 HydrophobicContact CD2-CG1 4.24Å; L413-V595 HydrophobicContact CD2-CG2 4.43Å; L413-V595 HydrophobicContact CG-CG1 4.32Å; L413-V595 CarbonylContact O-C 3.57Å; L413-V595 WeakPolarHBondContact O-CA 3.46Å; L413-L596 PolarHBondContact O-N 3.06Å
414V96.8Very high91.3Very high0 Ų027.3 Ų27.30%014%0.141CC..EExtended strand (participates in β ladder)trans-111.6118.1-177.3-169.10000110.6V398 V412 K422 V572 S573 G574 L596V398-V414 HydrophobicContact CB-CG1 4.03Å; V398-V414 HydrophobicContact CG1-CG1 4.02Å; V398-V414 HydrophobicContact CG2-CG1 4.16Å; V412-V414 HydrophobicContact CG1-CG2 4.37Å; V412-V414 HydrophobicContact CG2-CG2 3.96Å; V414-K422 HydrophobicContact CB-CD 4.43Å; V414-K422 HydrophobicContact CB-CG 4.4Å; V414-K422 HydrophobicContact CG1-CB 4.42Å; V414-K422 HydrophobicContact CG1-CD 4.18Å; V414-K422 HydrophobicContact CG1-CG 3.87Å; V414-K422 WeakPolarHBondContact O-CD 3.22Å; V414-V572 PolarHBondContact N-O 3.45Å; V414-S573 CarbonylContact O-C 3.56Å; V414-S573 WeakPolarHBondContact O-CA 3.23Å; V414-G574 PolarHBondContact O-N 3.06Å; V414-L596 HydrophobicContact CG1-CB 4.37Å; V414-L596 HydrophobicContact CG2-CD1 4.33Å
415V95.6Very high91.4Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-117.5136.1-179.7179.60000110.6L413 G574 W577 L596 F597 D598 E602L413-V415 HydrophobicContact CD1-CG2 4.15Å; L413-V415 HydrophobicContact CG-CG2 4.34Å; V415-G574 WeakPolarHBondContact CA-O 3.29Å; V415-W577 HydrophobicContact CG2-CE3 4.13Å; V415-L596 PolarHBondContact N-O 3Å; V415-F597 HydrophobicContact CB-CD1 4.05Å; V415-F597 HydrophobicContact CB-CE1 4.28Å; V415-F597 HydrophobicContact CG1-CD1 4.21Å; V415-F597 HydrophobicContact CG1-CE1 4.42Å; V415-F597 WeakPolarHBondContact O-CA 3.47Å; V415-D598 PolarHBondContact O-N 3.44Å; V415-E602 HydrophobicContact CG1-CB 4.27Å
416G92.2Very high91.5Very high0 Ų026.4 Ų26.40%014%0.135CC..  trans154.1-174175.500000112.6K422 G574 R575G416-K422 PolarHBondContact O-NZ 2.84Å; G416-G574 PolarHBondContact N-O 2.92Å; G416-G574 VanDerWaalsContact N-O 3.17Å; G416-R575 WeakPolarHBondContact O-CA 3.45Å
417N87.2Confident91.6Very high66 Ų6626.4 Ų26.435%0.35314%0.135SC..  trans-60173.7-166.8-65-77.3000115I420 K422 D599 K720N417-I420 HydrophobicContact CB-CG2 4.04Å; N417-K422 PolarHBondContact O-NZ 3.21Å; N417-D599 PolarHBondContact ND2-OD2 2.66Å; N417-D599 PolarHBondContact OD1-OD2 2.82Å; N417-K720 PolarHBondContact OD1-NZ 3.27Å
418L81.9Confident91.8Very high95 Ų9526.1 Ų26.150%0.49713%0.133SC..THydrogen-bonded Turntrans-60.9157.4166.5-85.6178.9000110.7I420L418-I420 PolarHBondContact O-N 3.18Å
419Q80.9Confident92Very high180 Ų18022.1 Ų22.184%0.84111%0.112SC*.THydrogen-bonded Turntrans58.24.3172.6-58.4-179.22.400117.2R396 G421R396-Q419 PolarHBondContact NH1-O 3.03Å; Q419-G421 PolarHBondContact O-N 2.75Å
420I83.8Confident92.3Very high23 Ų2322.1 Ų22.112%0.11811%0.111CC..SBendtrans-65.7-19.5175.667.7170.2000113.4R396 V398 N417 L418 K422 D598R396-I420 WeakPolarHBondContact CD-O 3.36Å; R396-I420 VanDerWaalsContact NH1-C 3.33Å; R396-I420 PolarHBondContact NH1-O 2.79Å; V398-I420 HydrophobicContact CG1-CD1 4.48Å; V398-I420 HydrophobicContact CG2-CD1 4.41Å; N417-I420 HydrophobicContact CB-CG2 4.04Å; L418-I420 PolarHBondContact O-N 3.18Å; I420-K422 HydrophobicContact CD1-CD 4.15Å; I420-K422 HydrophobicContact CD1-CG 3.63Å; I420-K422 HydrophobicContact CG1-CD 4.42Å; I420-K422 HydrophobicContact CG1-CG 3.56Å; I420-D598 HydrophobicContact CD1-CB 3.47Å; I420-D598 VanDerWaalsContact CD1-CB 3.47Å; I420-D598 VanDerWaalsContact CG2-OD2 3.25Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.28Å
421G88.4Confident92.4Very high7 Ų720.8 Ų20.87%0.07211%0.106CC..  trans102.928.3178.900000114.8Q399 Q419 W424 S425Q399-G421 PolarHBondContact NE2-O 3.27Å; Q419-G421 PolarHBondContact O-N 2.75Å; G421-W424 CarbonylContact O-C 3.29Å; G421-W424 PolarHBondContact O-N 2.75Å; G421-S425 PolarHBondContact O-N 3.08Å; G421-S425 PolarHBondContact O-OG 2.86Å
422K93.9Very high92.4Very high10 Ų1021.2 Ų21.24%0.04311%0.107CC..SBendtrans-53.4-56.8179.9-62.6-163.8-70.7-94.10113.3V414 G416 N417 I420 W424 S425 Y426 N538 S573 G574V414-K422 HydrophobicContact CB-CD 4.43Å; V414-K422 HydrophobicContact CB-CG 4.4Å; V414-K422 HydrophobicContact CG1-CB 4.42Å; V414-K422 HydrophobicContact CG1-CD 4.18Å; V414-K422 HydrophobicContact CG1-CG 3.87Å; V414-K422 WeakPolarHBondContact O-CD 3.22Å; G416-K422 PolarHBondContact O-NZ 2.84Å; N417-K422 PolarHBondContact O-NZ 3.21Å; I420-K422 HydrophobicContact CD1-CD 4.15Å; I420-K422 HydrophobicContact CD1-CG 3.63Å; I420-K422 HydrophobicContact CG1-CD 4.42Å; I420-K422 HydrophobicContact CG1-CG 3.56Å; K422-W424 VanDerWaalsContact C-N 3.28Å; K422-W424 PolarHBondContact O-N 2.76Å; K422-S425 WeakPolarHBondContact O-CA 3.35Å; K422-S425 WeakPolarHBondContact O-CB 3.42Å; K422-S425 PolarHBondContact O-N 3.19Å; K422-S425 PolarHBondContact O-OG 3.4Å; K422-Y426 WeakPolarHBondContact O-CD1 3.42Å; K422-Y426 VanDerWaalsContact O-CE1 3.31Å; K422-Y426 WeakPolarHBondContact O-CE1 3.23Å; K422-N538 WeakPolarHBondContact CE-OD1 3.32Å; K422-S573 WeakPolarHBondContact CB-OG 3.4Å; K422-S573 WeakPolarHBondContact CD-OG 3.44Å; K422-S573 WeakPolarHBondContact CE-OG 3.31Å; K422-G574 WeakPolarHBondContact CD-O 3.39Å; K422-G574 WeakPolarHBondContact CE-O 3.45Å; K422-G574 PolarHBondContact NZ-O 3.35Å
423T95Very high92.2Very high17 Ų1725.4 Ų25.410%0.10412%0.123CC..G310 helixtrans-54.1-46.8177.5-34.70000111.1S425 Y426 L427 F452 I463 W466 D537T423-S425 PolarHBondContact O-N 3.18Å; T423-S425 VanDerWaalsContact O-N 3.09Å; T423-Y426 PolarHBondContact O-N 2.77Å; T423-Y426 VanDerWaalsContact O-N 3.17Å; T423-L427 HydrophobicContact CG2-CB 4.39Å; T423-L427 HydrophobicContact CG2-CD2 4.32Å; T423-L427 WeakPolarHBondContact O-CB 3.5Å; T423-L427 PolarHBondContact O-N 3.48Å; T423-F452 HydrophobicContact CG2-CZ 4.03Å; T423-I463 HydrophobicContact CG2-CD1 4.19Å; T423-I463 HydrophobicContact CG2-CG1 4.24Å; T423-W466 HydrophobicContact CG2-CZ3 4.34Å; T423-D537 WeakPolarHBondContact CB-OD2 3.2Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.02Å; T423-D537 PolarHBondContact OG1-OD2 2.88Å
424W94.6Very high92.1Very high24 Ų2425.6 Ų25.69%0.09112%0.124CC..G310 helixtrans-65-8.5175-75.5106.9000115.5M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470M385-W424 HydrophobicContact CE-CE3 4.19Å; M385-W424 HydrophobicContact CE-CZ3 4.49Å; M385-W424 HydrophobicContact CG-CZ3 4.12Å; M388-W424 HydrophobicContact CE-CH2 3.69Å; M388-W424 HydrophobicContact CE-CZ3 4.42Å; M388-W424 HydrophobicContact SD-CH2 3.79Å; M388-W424 HydrophobicContact SD-CZ2 4.16Å; V390-W424 HydrophobicContact CG1-CD2 4.2Å; V390-W424 HydrophobicContact CG1-CE3 4.08Å; V390-W424 HydrophobicContact CG1-CG 4.46Å; V390-W424 HydrophobicContact CG2-CD2 3.86Å; V390-W424 HydrophobicContact CG2-CE3 3.96Å; V390-W424 HydrophobicContact CG2-CH2 3.97Å; V390-W424 HydrophobicContact CG2-CZ2 3.84Å; V390-W424 HydrophobicContact CG2-CZ3 4.02Å; Q399-W424 VanDerWaalsContact NE2-CB 3.33Å; W403-W424 PolarHBondContact NE1-O 3.38Å; G421-W424 CarbonylContact O-C 3.29Å; G421-W424 PolarHBondContact O-N 2.75Å; K422-W424 VanDerWaalsContact C-N 3.28Å; K422-W424 PolarHBondContact O-N 2.76Å; W424-Y426 VanDerWaalsContact C-N 3.26Å; W424-L427 HydrophobicContact CH2-CD2 4.4Å; W424-L427 HydrophobicContact CZ2-CD2 4.5Å; W424-L427 HydrophobicContact CZ3-CD2 4.47Å; W424-P428 HydrophobicContact CE3-CG 3.93Å; W424-P428 HydrophobicContact CZ3-CG 4.16Å; W424-W466 HydrophobicContact CH2-CB 4.14Å; W424-W466 HydrophobicContact CH2-CG 4.28Å; W424-W466 HydrophobicContact CZ2-CB 3.89Å; W424-W466 AromaticContact CZ2-CD1 3.78Å; W424-W466 AromaticContact CZ2-CD2 3.79Å; W424-W466 HydrophobicContact CZ2-CD2 3.79Å; W424-W466 HydrophobicContact CZ2-CE3 4.38Å; W424-W466 AromaticContact CZ2-CG 3.55Å; W424-W466 HydrophobicContact CZ2-CG 3.55Å; W424-W466 AromaticContact NE1-CD2 3.93Å; W424-W466 AromaticContact NE1-CE2 3.9Å; W424-W466 AromaticContact NE1-CE3 3.98Å; W424-W466 AromaticContact NE1-CZ2 3.96Å; W424-L470 HydrophobicContact CH2-CD1 4.19Å; W424-L470 HydrophobicContact CH2-CG 4.47Å; W424-L470 HydrophobicContact CZ3-CD1 4.01Å; W424-L470 HydrophobicContact CZ3-CD2 4.22Å; W424-L470 HydrophobicContact CZ3-CG 4.49Å
425S94.9Very high91.9Very high0 Ų026.4 Ų26.40%013%0.128CC..G310 helixtrans-78.5-11.3174.8-53.50000112.6Q399 A402 G421 K422 T423Q399-S425 WeakPolarHBondContact CG-OG 3.39Å; A402-S425 WeakPolarHBondContact CB-O 3.16Å; G421-S425 PolarHBondContact O-N 3.08Å; G421-S425 PolarHBondContact O-OG 2.86Å; K422-S425 WeakPolarHBondContact O-CA 3.35Å; K422-S425 WeakPolarHBondContact O-CB 3.42Å; K422-S425 PolarHBondContact O-N 3.19Å; K422-S425 PolarHBondContact O-OG 3.4Å; T423-S425 PolarHBondContact O-N 3.18Å; T423-S425 VanDerWaalsContact O-N 3.09Å
426Y95.5Very high91.7Very high0 Ų029.5 Ų29.50%014%0.142CC..THydrogen-bonded Turntrans-144.3-25.5178.156.3-97.5000114.9V412 K422 T423 W424 T429 V430 F452 A535 D537 L571V412-Y426 HydrophobicContact CG1-CD1 4.41Å; K422-Y426 WeakPolarHBondContact O-CD1 3.42Å; K422-Y426 VanDerWaalsContact O-CE1 3.31Å; K422-Y426 WeakPolarHBondContact O-CE1 3.23Å; T423-Y426 PolarHBondContact O-N 2.77Å; T423-Y426 VanDerWaalsContact O-N 3.17Å; W424-Y426 VanDerWaalsContact C-N 3.26Å; Y426-T429 WeakPolarHBondContact O-CB 3.4Å; Y426-T429 PolarHBondContact O-N 3.14Å; Y426-T429 VanDerWaalsContact O-N 3.08Å; Y426-V430 HydrophobicContact CD2-CG2 4.04Å; Y426-V430 PolarHBondContact O-N 3.46Å; Y426-F452 AromaticContact CE2-CE2 3.82Å; Y426-F452 HydrophobicContact CE2-CE2 3.82Å; Y426-F452 AromaticContact CE2-CZ 3.92Å; Y426-F452 HydrophobicContact CE2-CZ 3.92Å; Y426-A535 HydrophobicContact CE2-CB 4.13Å; Y426-D537 VanDerWaalsContact OH-CB 3.27Å; Y426-D537 WeakPolarHBondContact OH-CB 3.39Å; Y426-D537 PolarHBondContact OH-OD1 3.37Å; Y426-L571 HydrophobicContact CD2-CB 4.22Å; Y426-L571 HydrophobicContact CD2-CD1 3.71Å; Y426-L571 HydrophobicContact CE2-CB 4.47Å; Y426-L571 HydrophobicContact CG-CB 4.27Å; Y426-L571 HydrophobicContact CG-CD1 4Å
427L95.9Very high91.7Very high0 Ų031.2 Ų31.20%015%0.151CC..Hα-helixtrans-49.7-41.9-178.8-176.966.8000115.1T423 W424 T429 V430 C431 F452 I463 W466 M467 L470T423-L427 HydrophobicContact CG2-CB 4.39Å; T423-L427 HydrophobicContact CG2-CD2 4.32Å; T423-L427 WeakPolarHBondContact O-CB 3.5Å; T423-L427 PolarHBondContact O-N 3.48Å; W424-L427 HydrophobicContact CH2-CD2 4.4Å; W424-L427 HydrophobicContact CZ2-CD2 4.5Å; W424-L427 HydrophobicContact CZ3-CD2 4.47Å; L427-T429 VanDerWaalsContact C-N 3.34Å; L427-T429 PolarHBondContact O-N 2.74Å; L427-V430 PolarHBondContact O-N 2.88Å; L427-C431 PolarHBondContact O-N 3.19Å; L427-C431 PolarHBondContact O-SG 3.34Å; L427-F452 HydrophobicContact CD1-CE2 4.01Å; L427-I463 HydrophobicContact CD1-CG2 4.4Å; L427-W466 HydrophobicContact CD2-CB 3.79Å; L427-W466 HydrophobicContact CD2-CE3 4.03Å; L427-M467 HydrophobicContact CD1-CE 3.68Å; L427-M467 HydrophobicContact CD1-CG 3.85Å; L427-L470 HydrophobicContact CD2-CD1 4.15Å; L427-L470 HydrophobicContact CG-CD1 3.86Å
428P94.5Very high92Very high0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-59.4-44.8177.7-22.533.7000112.6I381 M385 W424 Q432I381-P428 HydrophobicContact CG2-CB 3.68Å; M385-P428 HydrophobicContact CE-CB 4.2Å; M385-P428 HydrophobicContact CE-CG 3.43Å; M385-P428 VanDerWaalsContact CE-CG 3.43Å; M385-P428 HydrophobicContact CG-CG 4.35Å; M385-P428 HydrophobicContact SD-CB 3.56Å; M385-P428 VanDerWaalsContact SD-CB 3.56Å; M385-P428 HydrophobicContact SD-CG 3.46Å; M385-P428 WeakPolarHBondContact SD-CG 3.31Å; W424-P428 HydrophobicContact CE3-CG 3.93Å; W424-P428 HydrophobicContact CZ3-CG 4.16Å; P428-Q432 WeakPolarHBondContact O-CB 3.32Å; P428-Q432 PolarHBondContact O-N 2.94Å
429T92.9Very high92.4Very high5 Ų526.4 Ų26.43%0.03112%0.124CC..Hα-helixtrans-66.5-39.8176.6-51.70000111.6V406 Y426 L427 Q432 R433V406-T429 HydrophobicContact CG1-CG2 4.03Å; Y426-T429 WeakPolarHBondContact O-CB 3.4Å; Y426-T429 PolarHBondContact O-N 3.14Å; Y426-T429 VanDerWaalsContact O-N 3.08Å; L427-T429 VanDerWaalsContact C-N 3.34Å; L427-T429 PolarHBondContact O-N 2.74Å; T429-Q432 PolarHBondContact O-N 2.82Å; T429-R433 VanDerWaalsContact CG2-CD 3.47Å; T429-R433 HydrophobicContact CG2-CG 4.05Å; T429-R433 WeakPolarHBondContact O-CB 3.39Å; T429-R433 WeakPolarHBondContact O-CG 3.32Å; T429-R433 PolarHBondContact O-N 3.3Å
430V94.9Very high92.8Very high5 Ų525.1 Ų25.13%0.0311%0.112CC..Hα-helixtrans-60.3-50.7176.5171.20000110.5Y426 L427 S434 C450 F452 I505 L571Y426-V430 HydrophobicContact CD2-CG2 4.04Å; Y426-V430 PolarHBondContact O-N 3.46Å; L427-V430 PolarHBondContact O-N 2.88Å; V430-S434 WeakPolarHBondContact O-CB 3.25Å; V430-S434 PolarHBondContact O-N 3.35Å; V430-S434 PolarHBondContact O-OG 3.04Å; V430-C450 HydrophobicContact CG1-CB 4.37Å; V430-F452 HydrophobicContact CG1-CD2 4.49Å; V430-I505 HydrophobicContact CG1-CD1 4.2Å; V430-L571 HydrophobicContact CG2-CD1 3.3Å
431C95.3Very high93Very high0 Ų025.5 Ų25.50%011%0.112CC..Hα-helixtrans-59.6-49.7178-67.20000111.6L427 H435 L470 L471L427-C431 PolarHBondContact O-N 3.19Å; L427-C431 PolarHBondContact O-SG 3.34Å; C431-H435 VanDerWaalsContact O-CB 3.3Å; C431-H435 WeakPolarHBondContact O-CB 3.45Å; C431-H435 PolarHBondContact O-N 2.86Å; C431-L470 HydrophobicContact CB-CB 3.87Å; C431-L470 HydrophobicContact CB-CD1 4.1Å; C431-L470 VanDerWaalsContact SG-CD1 3.53Å; C431-L471 HydrophobicContact CB-CD2 3.9Å; C431-L471 HydrophobicContact CB-CG 4.08Å; C431-L471 WeakPolarHBondContact O-CD2 3.4Å
432Q93.6Very high92.8Very high14 Ų1429.3 Ų29.37%0.06514%0.135CC..Hα-helixtrans-60.4-53.6-178.4-166.1-173.6-57.500112.4D376 S378 I381 P428 T429 H435 E436D376-Q432 PolarHBondContact O-NE2 3.41Å; S378-Q432 PolarHBondContact OG-OE1 2.91Å; I381-Q432 HydrophobicContact CD1-CB 4.47Å; I381-Q432 HydrophobicContact CG1-CB 4.09Å; I381-Q432 HydrophobicContact CG1-CG 4.23Å; P428-Q432 WeakPolarHBondContact O-CB 3.32Å; P428-Q432 PolarHBondContact O-N 2.94Å; T429-Q432 PolarHBondContact O-N 2.82Å; Q432-H435 PolarHBondContact O-N 2.97Å; Q432-E436 HydrophobicContact CG-CG 4.45Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.22Å; Q432-E436 PolarHBondContact NE2-OE1 3.44Å; Q432-E436 WeakPolarHBondContact O-CB 3.22Å; Q432-E436 WeakPolarHBondContact O-CG 3.47Å; Q432-E436 PolarHBondContact O-N 2.91Å
433R92.1Very high92.1Very high87 Ų8735 Ų3533%0.32817%0.166SC..Hα-helixtrans-70.1-36.5-175.2-62.2179.790.8-144.510.1111.8G409 T429 H435 D437 Q569G409-R433 VanDerWaalsContact CA-NH1 3.29Å; T429-R433 VanDerWaalsContact CG2-CD 3.47Å; T429-R433 HydrophobicContact CG2-CG 4.05Å; T429-R433 WeakPolarHBondContact O-CB 3.39Å; T429-R433 WeakPolarHBondContact O-CG 3.32Å; T429-R433 PolarHBondContact O-N 3.3Å; R433-H435 VanDerWaalsContact C-N 3.34Å; R433-H435 PolarHBondContact O-N 3.46Å; R433-D437 VanDerWaalsContact O-CB 3.32Å; R433-D437 WeakPolarHBondContact O-CB 3.46Å; R433-D437 PolarHBondContact O-N 2.96Å; R433-Q569 VanDerWaalsContact NH1-OE1 3.14Å
434S93.8Very high91.5Very high5 Ų540.6 Ų40.64%0.03520%0.2CC..Hα-helixtrans-64.7-39175.5-52.40000112V430 L438 C450V430-S434 WeakPolarHBondContact O-CB 3.25Å; V430-S434 PolarHBondContact O-N 3.35Å; V430-S434 PolarHBondContact O-OG 3.04Å; S434-L438 WeakPolarHBondContact O-CB 3.46Å; S434-L438 PolarHBondContact O-N 3.43Å; S434-C450 WeakPolarHBondContact OG-CB 3.28Å
435H93.4Very high91Very high16 Ų1639.9 Ų39.97%0.07420%0.2CC..Hα-helixtrans-70.3-50.2175.217784.7000111.8C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482C431-H435 VanDerWaalsContact O-CB 3.3Å; C431-H435 WeakPolarHBondContact O-CB 3.45Å; C431-H435 PolarHBondContact O-N 2.86Å; Q432-H435 PolarHBondContact O-N 2.97Å; R433-H435 VanDerWaalsContact C-N 3.34Å; R433-H435 PolarHBondContact O-N 3.46Å; H435-D437 VanDerWaalsContact C-N 3.31Å; H435-D437 PolarHBondContact O-N 3.4Å; H435-L438 WeakPolarHBondContact O-CB 3.21Å; H435-L438 PolarHBondContact O-N 3.19Å; H435-L438 VanDerWaalsContact O-N 3.12Å; H435-Q439 PolarHBondContact CE1-NE2 3.05Å; H435-Q439 PolarHBondContact ND1-NE2 3.09Å; H435-Q439 WeakPolarHBondContact O-CG 3.4Å; H435-Q439 PolarHBondContact O-N 3.17Å; H435-L471 HydrophobicContact CB-CD2 3.8Å; H435-L474 HydrophobicContact CB-CD1 3.85Å; H435-G475 PolarHBondContact CE1-O 2.93Å; H435-D482 IonicContact CE1-OD1 3.65Å; H435-D482 IonicContact CG-OD1 3.73Å; H435-D482 IonicContact ND1-OD1 3.99Å; H435-D482 PolarHBondContact ND1-OD1 2.61Å
436E91.9Very high90.8Very high66 Ų6644.5 Ų44.531%0.30822%0.218SC..Hα-helixtrans-54.5-46.1177.1-82.6-174.2-133.900112.1Q432 R440Q432-E436 HydrophobicContact CG-CG 4.45Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.22Å; Q432-E436 PolarHBondContact NE2-OE1 3.44Å; Q432-E436 WeakPolarHBondContact O-CB 3.22Å; Q432-E436 WeakPolarHBondContact O-CG 3.47Å; Q432-E436 PolarHBondContact O-N 2.91Å; E436-R440 WeakPolarHBondContact O-CD 3.41Å; E436-R440 WeakPolarHBondContact O-CG 3.42Å; E436-R440 PolarHBondContact O-N 3.22Å; E436-R440 IonicContact OE2-CZ 2.8Å; E436-R440 IonicContact OE2-NH1 2.68Å; E436-R440 PolarHBondContact OE2-NH1 3.38Å; E436-R440 IonicContact OE2-NH2 2.97Å; E436-R440 PolarHBondContact OE2-NH2 3.43Å
437D91.8Very high90.6Very high35 Ų3544.5 Ų44.519%0.18722%0.218CC..Hα-helixtrans-72.5-32.7178.1-75.8-25.1000111.9R433 H435 R440 R441 T449R433-D437 VanDerWaalsContact O-CB 3.32Å; R433-D437 WeakPolarHBondContact O-CB 3.46Å; R433-D437 PolarHBondContact O-N 2.96Å; H435-D437 VanDerWaalsContact C-N 3.31Å; H435-D437 PolarHBondContact O-N 3.4Å; D437-R440 WeakPolarHBondContact O-CB 3.39Å; D437-R440 PolarHBondContact O-N 3.17Å; D437-R440 VanDerWaalsContact O-N 3.07Å; D437-R440 IonicContact OD1-CZ 3.26Å; D437-R440 IonicContact OD1-NH1 2.62Å; D437-R440 PolarHBondContact OD1-NH1 3.1Å; D437-R441 VanDerWaalsContact O-CG 3.25Å; D437-R441 WeakPolarHBondContact O-CG 3.45Å; D437-R441 PolarHBondContact O-N 2.83Å; D437-T449 HydrophobicContact CB-CG2 3.68Å
438L92.6Very high90.6Very high0 Ų044.5 Ų44.50%022%0.218CC..Hα-helixtrans-59.8-44.6171.5-179.163.9000112S434 H435 R440 R441 F480 P502S434-L438 WeakPolarHBondContact O-CB 3.46Å; S434-L438 PolarHBondContact O-N 3.43Å; H435-L438 WeakPolarHBondContact O-CB 3.21Å; H435-L438 PolarHBondContact O-N 3.19Å; H435-L438 VanDerWaalsContact O-N 3.12Å; L438-R440 PolarHBondContact O-N 3.39Å; L438-R440 VanDerWaalsContact O-N 3.13Å; L438-R441 PolarHBondContact O-N 3.06Å; L438-F480 HydrophobicContact CD1-CB 3.89Å; L438-F480 HydrophobicContact CD1-CD2 3.88Å; L438-F480 HydrophobicContact CD1-CG 4.21Å; L438-F480 HydrophobicContact CD2-CB 4.05Å; L438-F480 HydrophobicContact CG-CB 4.21Å; L438-F480 HydrophobicContact CG-CD2 4.31Å; L438-P502 HydrophobicContact CD1-CB 3.88Å
439Q90.1Very high90.6Very high60 Ų6044.6 Ų44.628%0.2822%0.218SC..THydrogen-bonded Turntrans-64.3-15.2176-54.8-42.9-6100113H435 S478H435-Q439 PolarHBondContact CE1-NE2 3.05Å; H435-Q439 PolarHBondContact ND1-NE2 3.09Å; H435-Q439 WeakPolarHBondContact O-CG 3.4Å; H435-Q439 PolarHBondContact O-N 3.17Å; Q439-S478 VanDerWaalsContact CD-OG 3.27Å; Q439-S478 PolarHBondContact NE2-OG 2.73Å; Q439-S478 VanDerWaalsContact NE2-OG 3.13Å; Q439-S478 VanDerWaalsContact OE1-CB 3.25Å; Q439-S478 PolarHBondContact OE1-OG 3.48Å
440R89.9Confident90.8Very high153 Ų15344.3 Ų44.358%0.57722%0.217SC*.THydrogen-bonded Turntrans-96-2.1176.1-61.8165.1-171136.87.6113.4E436 D437 L438E436-R440 WeakPolarHBondContact O-CD 3.41Å; E436-R440 WeakPolarHBondContact O-CG 3.42Å; E436-R440 PolarHBondContact O-N 3.22Å; E436-R440 IonicContact OE2-CZ 2.8Å; E436-R440 IonicContact OE2-NH1 2.68Å; E436-R440 PolarHBondContact OE2-NH1 3.38Å; E436-R440 IonicContact OE2-NH2 2.97Å; E436-R440 PolarHBondContact OE2-NH2 3.43Å; D437-R440 WeakPolarHBondContact O-CB 3.39Å; D437-R440 PolarHBondContact O-N 3.17Å; D437-R440 VanDerWaalsContact O-N 3.07Å; D437-R440 IonicContact OD1-CZ 3.26Å; D437-R440 IonicContact OD1-NH1 2.62Å; D437-R440 PolarHBondContact OD1-NH1 3.1Å; L438-R440 PolarHBondContact O-N 3.39Å; L438-R440 VanDerWaalsContact O-N 3.13Å
441R88.4Confident91Very high32 Ų3244.1 Ų44.112%0.12122%0.216CC..SBendtrans-85.3141.2-177.6-60.9-164.768.2-168.1-1.9111.8D437 L438 R446 G447 P502 D527 A530D437-R441 VanDerWaalsContact O-CG 3.25Å; D437-R441 WeakPolarHBondContact O-CG 3.45Å; D437-R441 PolarHBondContact O-N 2.83Å; L438-R441 PolarHBondContact O-N 3.06Å; R441-R446 PolarHBondContact NH1-O 3.44Å; R441-R446 PolarHBondContact NH2-O 3.49Å; R441-G447 PolarHBondContact NH1-O 3.34Å; R441-P502 HydrophobicContact CB-CB 4.25Å; R441-D527 IonicContact NH2-OD2 2.89Å; R441-A530 VanDerWaalsContact CZ-CB 3.45Å
442P83.8Confident91.1Very high87 Ų8744.1 Ų44.157%0.56522%0.216SC*.  trans-73.6151.4169.332.4-35.2000111.1V444 G445 P502P442-V444 PolarHBondContact O-N 3.13Å; P442-V444 VanDerWaalsContact O-N 3.1Å; P442-G445 WeakPolarHBondContact O-CA 3.48Å; P442-G445 PolarHBondContact O-N 3.07Å; P442-P502 WeakPolarHBondContact O-CG 2.96Å
443D79.9Confident91.3Very high128 Ų12843.5 Ų43.568%0.68421%0.212SC*.THydrogen-bonded Turntrans-57.3-26.8-179.7-54.42.6000114.3G445 F480D443-G445 PolarHBondContact O-N 3.49Å; D443-F480 HydrophobicContact CB-CZ 4.33Å
444V81.9Confident91.5Very high135 Ų13539.3 Ų39.382%0.81820%0.197SC*.THydrogen-bonded Turntrans-80.6-1.2177-152.40000112.2P442P442-V444 PolarHBondContact O-N 3.13Å; P442-V444 VanDerWaalsContact O-N 3.1Å
445G84Confident91.4Very high10 Ų1039.8 Ų39.810%0.10320%0.199CC..  trans-69.4165.9171.100000112.6P442 D443 K501 P502P442-G445 WeakPolarHBondContact O-CA 3.48Å; P442-G445 PolarHBondContact O-N 3.07Å; D443-G445 PolarHBondContact O-N 3.49Å; G445-K501 CarbonylContact O-C 3.54Å; G445-P502 WeakPolarHBondContact O-CD 3.24Å
446R89.9Confident91.2Very high96 Ų9642.3 Ų42.336%0.36221%0.214SC..  trans-149.7160.2-177.565.7-164-173.9-87.7-4.5112.8R441 K500 K501 G523 D527R441-R446 PolarHBondContact NH1-O 3.44Å; R441-R446 PolarHBondContact NH2-O 3.49Å; R446-K500 WeakPolarHBondContact CB-O 3.37Å; R446-K501 CarbonylContact C-O 3.53Å; R446-K501 WeakPolarHBondContact CA-O 3.44Å; R446-G523 PolarHBondContact NE-O 2.96Å; R446-G523 PolarHBondContact NH2-O 3.03Å; R446-D527 HydrophobicContact CG-CB 4.41Å
447G92.7Very high91.2Very high0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans70177179.600000114.3R441 L499 K501 V503 I525R441-G447 PolarHBondContact NH1-O 3.34Å; G447-L499 WeakPolarHBondContact CA-O 3.39Å; G447-L499 PolarHBondContact N-O 3.41Å; G447-K501 PolarHBondContact N-O 3.38Å; G447-K501 VanDerWaalsContact N-O 3.09Å; G447-V503 PolarHBondContact O-N 2.55Å; G447-V503 VanDerWaalsContact O-N 3.14Å; G447-I525 WeakPolarHBondContact CA-O 3.07Å
448P95.4Very high91.2Very high0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-79161.1-176.834.5-33.4000112.3C450 I451 V503 L506 F526 V531P448-C450 WeakPolarHBondContact CB-O 3.35Å; P448-I451 HydrophobicContact CG-CD1 4.37Å; P448-I451 HydrophobicContact CG-CG1 3.73Å; P448-V503 CarbonylContact C-O 3.58Å; P448-V503 WeakPolarHBondContact CA-O 3.4Å; P448-V503 HydrophobicContact CB-CG1 4.4Å; P448-L506 HydrophobicContact CB-CB 3.7Å; P448-L506 HydrophobicContact CG-CB 3.86Å; P448-L506 HydrophobicContact CG-CD2 4.32Å; P448-F526 HydrophobicContact CG-CD1 4.13Å; P448-F526 HydrophobicContact CG-CE1 4Å; P448-V531 HydrophobicContact CG-CG2 4.42Å; P448-V531 WeakPolarHBondContact O-CG2 3.46Å
449T95.2Very high91.1Very high2 Ų245.7 Ų45.71%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-93.6-29.5173.7-49.30000110.6D437 V503 G504 V531 K532D437-T449 HydrophobicContact CB-CG2 3.68Å; T449-V503 PolarHBondContact N-O 2.84Å; T449-V503 PolarHBondContact OG1-O 2.77Å; T449-G504 CarbonylContact C-O 3.55Å; T449-G504 WeakPolarHBondContact CA-O 3.46Å; T449-G504 WeakPolarHBondContact CB-O 3.32Å; T449-G504 PolarHBondContact N-O 2.77Å; T449-V531 WeakPolarHBondContact O-CA 3.3Å; T449-K532 HydrophobicContact CG2-CG 4.26Å; T449-K532 PolarHBondContact O-N 3.37Å
450C96.8Very high91.3Very high0 Ų042.9 Ų42.90%023%0.229CC..EExtended strand (participates in β ladder)trans-130.9141.51661780000112V430 S434 P448 G504 I505 L506 C533V430-C450 HydrophobicContact CG1-CB 4.37Å; S434-C450 WeakPolarHBondContact OG-CB 3.28Å; P448-C450 WeakPolarHBondContact CB-O 3.35Å; C450-G504 PolarHBondContact N-O 3.33Å; C450-I505 HydrophobicContact CB-CG1 4.36Å; C450-I505 HydrophobicContact CB-CG2 4.49Å; C450-I505 CarbonylContact O-C 3.6Å; C450-I505 WeakPolarHBondContact O-CA 3.28Å; C450-L506 PolarHBondContact O-N 2.78Å; C450-C533 CarbonylContact C-O 3.29Å; C450-C533 VanDerWaalsContact CA-O 3.24Å; C450-C533 WeakPolarHBondContact CA-O 3.32Å; C450-C533 HydrophobicContact CB-CB 4.07Å; C450-C533 PolarHBondContact SG-O 2.85Å; C450-C533 VanDerWaalsContact SG-SG 3.66Å
451I97.8Very high91.5Very high1 Ų139.9 Ų39.91%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-106.5123.5169-55.2173.5000108.6P448 V453 L513 F526 V531 C533 I534 A535 F561P448-I451 HydrophobicContact CG-CD1 4.37Å; P448-I451 HydrophobicContact CG-CG1 3.73Å; I451-V453 HydrophobicContact CG2-CG2 4.21Å; I451-L513 HydrophobicContact CG2-CD1 4.05Å; I451-L513 HydrophobicContact CG2-CD2 3.78Å; I451-F526 HydrophobicContact CD1-CD1 3.96Å; I451-F526 HydrophobicContact CD1-CE1 3.75Å; I451-F526 HydrophobicContact CG1-CE1 4.41Å; I451-V531 HydrophobicContact CD1-CG1 4.27Å; I451-V531 HydrophobicContact CD1-CG2 4.2Å; I451-V531 HydrophobicContact CG1-CG1 4.26Å; I451-V531 HydrophobicContact CG1-CG2 4.39Å; I451-C533 PolarHBondContact N-O 3.31Å; I451-I534 HydrophobicContact CB-CG1 4.31Å; I451-I534 CarbonylContact O-C 3.54Å; I451-I534 VanDerWaalsContact O-CA 3.31Å; I451-I534 WeakPolarHBondContact O-CA 3.48Å; I451-A535 PolarHBondContact O-N 3.02Å; I451-F561 HydrophobicContact CD1-CE1 4.39Å; I451-F561 HydrophobicContact CD1-CE2 4.19Å; I451-F561 HydrophobicContact CD1-CZ 3.72Å
452F98.4Very high91.8Very high0 Ų043.3 Ų43.30%024%0.238CC..EExtended strand (participates in β ladder)trans-116.1120.6178.8-156.9-64000109.7T423 Y426 L427 V430 I463 M467 I505 L506 L507 T508 A535 D537T423-F452 HydrophobicContact CG2-CZ 4.03Å; Y426-F452 AromaticContact CE2-CE2 3.82Å; Y426-F452 HydrophobicContact CE2-CE2 3.82Å; Y426-F452 AromaticContact CE2-CZ 3.92Å; Y426-F452 HydrophobicContact CE2-CZ 3.92Å; L427-F452 HydrophobicContact CD1-CE2 4.01Å; V430-F452 HydrophobicContact CG1-CD2 4.49Å; F452-I463 HydrophobicContact CD1-CG2 4.49Å; F452-I463 HydrophobicContact CE1-CD1 3.8Å; F452-I463 HydrophobicContact CE1-CG2 4.07Å; F452-I463 HydrophobicContact CE2-CG2 4.44Å; F452-I463 HydrophobicContact CZ-CD1 4.21Å; F452-I463 HydrophobicContact CZ-CG2 4.04Å; F452-M467 HydrophobicContact CB-CE 4.07Å; F452-M467 HydrophobicContact CD1-CE 4.43Å; F452-M467 HydrophobicContact CD2-CE 3.26Å; F452-M467 HydrophobicContact CE2-CE 3.73Å; F452-M467 HydrophobicContact CG-CE 3.67Å; F452-M467 HydrophobicContact CZ-CE 4.5Å; F452-I505 HydrophobicContact CB-CG2 4Å; F452-L506 PolarHBondContact N-O 2.81Å; F452-L507 HydrophobicContact CB-CB 4.45Å; F452-L507 HydrophobicContact CB-CD1 3.89Å; F452-L507 HydrophobicContact CD1-CD1 3.51Å; F452-L507 HydrophobicContact CE1-CD1 4.37Å; F452-L507 HydrophobicContact CG-CD1 3.94Å; F452-L507 WeakPolarHBondContact O-CA 3.36Å; F452-T508 PolarHBondContact O-N 2.95Å; F452-A535 HydrophobicContact CD1-CB 4.42Å; F452-A535 HydrophobicContact CD2-CB 3.56Å; F452-A535 HydrophobicContact CE2-CB 3.75Å; F452-A535 HydrophobicContact CG-CB 3.93Å; F452-A535 HydrophobicContact CZ-CB 4.24Å; F452-D537 HydrophobicContact CE1-CB 3.7Å; F452-D537 HydrophobicContact CZ-CB 4Å
453V98.1Very high92.3Very high0 Ų039.4 Ų39.40%021%0.212CC..EExtended strand (participates in β ladder)trans-113.5131.7180-1680000109.3I451 T508 V510 L513 A535 L536 D537 M542I451-V453 HydrophobicContact CG2-CG2 4.21Å; V453-T508 WeakPolarHBondContact CA-O 3.37Å; V453-V510 HydrophobicContact CG1-CG2 3.79Å; V453-L513 HydrophobicContact CG2-CD2 3.55Å; V453-A535 PolarHBondContact N-O 3.4Å; V453-L536 HydrophobicContact CB-CD2 3.87Å; V453-L536 HydrophobicContact CG2-CD2 3.86Å; V453-D537 PolarHBondContact O-N 3.27Å; V453-M542 HydrophobicContact CB-CE 4.05Å; V453-M542 HydrophobicContact CG1-CE 3.93Å; V453-M542 HydrophobicContact CG1-SD 3.99Å; V453-M542 WeakPolarHBondContact O-CE 3.43Å
454C95.6Very high93.1Very high0 Ų035.6 Ų35.60%019%0.19CC..  trans-132.3166.4171.469.20000111.3N456 G460 I463 W487 T508C454-N456 PolarHBondContact O-N 3Å; C454-N456 PolarHBondContact SG-O 3.12Å; C454-G460 WeakPolarHBondContact SG-CA 3.38Å; C454-G460 PolarHBondContact SG-N 2.9Å; C454-I463 HydrophobicContact CB-CD1 4.23Å; C454-W487 VanDerWaalsContact SG-CH2 3.51Å; C454-T508 PolarHBondContact N-O 2.75Å
455P91.3Very high93.7Very high14 Ų1438.1 Ų38.19%0.09119%0.185CC..SBendtrans-73.2-23.2-168.1-1731.6000115.1Q459 D537 N538 D541 M542P455-Q459 VanDerWaalsContact CD-OE1 3.22Å; P455-D537 WeakPolarHBondContact CD-O 3.44Å; P455-N538 HydrophobicContact CG-CB 3.87Å; P455-D541 HydrophobicContact CB-CB 3.71Å; P455-D541 HydrophobicContact CG-CB 3.49Å; P455-D541 VanDerWaalsContact CG-CB 3.49Å; P455-M542 HydrophobicContact CB-CG 4.23Å; P455-M542 HydrophobicContact CG-CG 4.07Å
456N89.9Confident94.2Very high70 Ų7040.5 Ų40.537%0.37419%0.191SC..SBendtrans-162163.5-178.557.872.4000112C454 G458 Q459 G460C454-N456 PolarHBondContact O-N 3Å; C454-N456 PolarHBondContact SG-O 3.12Å; N456-G458 PolarHBondContact O-N 3.36Å; N456-G458 WeakPolarHBondContact OD1-CA 3.3Å; N456-G458 PolarHBondContact OD1-N 3.38Å; N456-Q459 PolarHBondContact O-N 2.9Å; N456-Q459 PolarHBondContact OD1-N 2.85Å; N456-G460 PolarHBondContact O-N 2.85Å
457Q92.1Very high94.5Very high84 Ų8436 Ų3639%0.39317%0.173SC..Hα-helixtrans-58.1-30.3177.7-176.3-171.180.500113.4G460 K461 W487Q457-G460 PolarHBondContact O-N 2.91Å; Q457-K461 VanDerWaalsContact CD-CE 3.45Å; Q457-K461 VanDerWaalsContact CD-NZ 3.28Å; Q457-K461 HydrophobicContact CG-CD 3.9Å; Q457-K461 HydrophobicContact CG-CG 4.12Å; Q457-K461 WeakPolarHBondContact O-CB 3.19Å; Q457-K461 WeakPolarHBondContact O-CG 3.39Å; Q457-K461 PolarHBondContact O-N 3.48Å; Q457-W487 HydrophobicContact CB-CB 4.41Å; Q457-W487 HydrophobicContact CB-CD2 4.03Å; Q457-W487 HydrophobicContact CB-CE3 4.02Å; Q457-W487 HydrophobicContact CB-CG 4.21Å; Q457-W487 HydrophobicContact CG-CB 3.98Å; Q457-W487 HydrophobicContact CG-CD2 3.84Å; Q457-W487 HydrophobicContact CG-CE3 4.35Å; Q457-W487 HydrophobicContact CG-CG 3.64Å
458G91.7Very high94.4Very high51 Ų5139 Ų3953%0.52620%0.195SC..Hα-helixtrans-64.6-50.5-179.700000112.4N456 G460 Q462N456-G458 PolarHBondContact O-N 3.36Å; N456-G458 WeakPolarHBondContact OD1-CA 3.3Å; N456-G458 PolarHBondContact OD1-N 3.38Å; G458-G460 VanDerWaalsContact C-N 3.31Å; G458-Q462 PolarHBondContact O-N 2.91Å
459Q90.3Very high94.2Very high37 Ų3741.7 Ų41.717%0.17321%0.211CC..Hα-helixtrans-64-39.1170.8-65.7-174.317.200111P455 N456 Q462 I463 N538P455-Q459 VanDerWaalsContact CD-OE1 3.22Å; N456-Q459 PolarHBondContact O-N 2.9Å; N456-Q459 PolarHBondContact OD1-N 2.85Å; Q459-Q462 WeakPolarHBondContact O-CB 3.44Å; Q459-Q462 PolarHBondContact O-N 3.23Å; Q459-Q462 VanDerWaalsContact O-N 3.17Å; Q459-I463 WeakPolarHBondContact O-CG1 3.38Å; Q459-I463 PolarHBondContact O-N 3.34Å; Q459-N538 PolarHBondContact OE1-ND2 3.48Å
460G94.4Very high94.2Very high0 Ų041.6 Ų41.60%021%0.211CC..Hα-helixtrans-54.1-54.1176.200000113.7C454 N456 Q457 G458 Q462 I463 E464 W487C454-G460 WeakPolarHBondContact SG-CA 3.38Å; C454-G460 PolarHBondContact SG-N 2.9Å; N456-G460 PolarHBondContact O-N 2.85Å; Q457-G460 PolarHBondContact O-N 2.91Å; G458-G460 VanDerWaalsContact C-N 3.31Å; G460-Q462 PolarHBondContact O-N 2.88Å; G460-I463 PolarHBondContact O-N 2.97Å; G460-I463 VanDerWaalsContact O-N 3.09Å; G460-E464 VanDerWaalsContact O-CB 3.32Å; G460-E464 WeakPolarHBondContact O-CB 3.49Å; G460-E464 PolarHBondContact O-N 3.21Å; G460-W487 VanDerWaalsContact CA-CH2 3.5Å; G460-W487 VanDerWaalsContact CA-CZ2 3.43Å
461K94.5Very high93.9Very high91 Ų9142.1 Ų42.140%0.39621%0.213SC..Hα-helixtrans-61-28.8177.2-76.7172.1171.11690113.2Q457 R465Q457-K461 VanDerWaalsContact CD-CE 3.45Å; Q457-K461 VanDerWaalsContact CD-NZ 3.28Å; Q457-K461 HydrophobicContact CG-CD 3.9Å; Q457-K461 HydrophobicContact CG-CG 4.12Å; Q457-K461 WeakPolarHBondContact O-CB 3.19Å; Q457-K461 WeakPolarHBondContact O-CG 3.39Å; Q457-K461 PolarHBondContact O-N 3.48Å; K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.5Å; K461-R465 PolarHBondContact O-N 3.49Å
462Q93.8Very high93.4Very high104 Ų10446.7 Ų46.749%0.48624%0.244SC..Hα-helixtrans-72.6-42.6173.4-173.2175.338.600111.6G458 Q459 G460 R465 W466G458-Q462 PolarHBondContact O-N 2.91Å; Q459-Q462 WeakPolarHBondContact O-CB 3.44Å; Q459-Q462 PolarHBondContact O-N 3.23Å; Q459-Q462 VanDerWaalsContact O-N 3.17Å; G460-Q462 PolarHBondContact O-N 2.88Å; Q462-R465 PolarHBondContact O-N 2.99Å; Q462-W466 HydrophobicContact CG-CD2 4.44Å; Q462-W466 HydrophobicContact CG-CH2 3.8Å; Q462-W466 HydrophobicContact CG-CZ2 3.59Å; Q462-W466 HydrophobicContact CG-CZ3 4.31Å; Q462-W466 PolarHBondContact O-N 3.21Å
463I95.6Very high92.6Very high4 Ų449.9 Ų49.92%0.02126%0.261CS..Hα-helixtrans-68.9-40.1178.1-65.9170.1000110.9T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507T423-I463 HydrophobicContact CG2-CD1 4.19Å; T423-I463 HydrophobicContact CG2-CG1 4.24Å; L427-I463 HydrophobicContact CD1-CG2 4.4Å; F452-I463 HydrophobicContact CD1-CG2 4.49Å; F452-I463 HydrophobicContact CE1-CD1 3.8Å; F452-I463 HydrophobicContact CE1-CG2 4.07Å; F452-I463 HydrophobicContact CE2-CG2 4.44Å; F452-I463 HydrophobicContact CZ-CD1 4.21Å; F452-I463 HydrophobicContact CZ-CG2 4.04Å; C454-I463 HydrophobicContact CB-CD1 4.23Å; Q459-I463 WeakPolarHBondContact O-CG1 3.38Å; Q459-I463 PolarHBondContact O-N 3.34Å; G460-I463 PolarHBondContact O-N 2.97Å; G460-I463 VanDerWaalsContact O-N 3.09Å; I463-R465 PolarHBondContact O-N 2.82Å; I463-W466 HydrophobicContact CG1-CE3 4.07Å; I463-W466 HydrophobicContact CG1-CZ3 4.03Å; I463-W466 PolarHBondContact O-N 3.43Å; I463-W466 VanDerWaalsContact O-N 3.13Å; I463-M467 HydrophobicContact CG2-CE 3.69Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.13Å; I463-M467 WeakPolarHBondContact O-CG 3.26Å; I463-M467 PolarHBondContact O-N 3.32Å; I463-L507 HydrophobicContact CB-CD2 4.46Å; I463-L507 HydrophobicContact CG2-CD1 4.39Å; I463-L507 HydrophobicContact CG2-CD2 4.23Å
464E95.6Very high92Very high49 Ų4951.8 Ų51.823%0.22927%0.271CS..Hα-helixtrans-53.7-48.5172.6-177.9172.9-145.300111.4G460 W466 M467 S468 T485 L507G460-E464 VanDerWaalsContact O-CB 3.32Å; G460-E464 WeakPolarHBondContact O-CB 3.49Å; G460-E464 PolarHBondContact O-N 3.21Å; E464-W466 PolarHBondContact O-N 3.37Å; E464-M467 PolarHBondContact O-N 3.11Å; E464-S468 PolarHBondContact O-N 2.89Å; E464-S468 PolarHBondContact O-OG 2.63Å; E464-S468 VanDerWaalsContact O-OG 3.13Å; E464-T485 HydrophobicContact CB-CG2 4.41Å; E464-T485 VanDerWaalsContact CD-CG2 3.48Å; E464-T485 HydrophobicContact CG-CG2 4.03Å; E464-T485 WeakPolarHBondContact OE1-CB 3.45Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.4Å; E464-T485 PolarHBondContact OE1-OG1 2.93Å; E464-L507 HydrophobicContact CB-CD2 3.9Å
465R94.1Very high90.9Very high187 Ų18753.6 Ų53.671%0.70629%0.29SS*.Hα-helixtrans-58.5-43.6174.8-71.6168.7-177.5-171.3-0112.4K461 Q462 I463 T469K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.5Å; K461-R465 PolarHBondContact O-N 3.49Å; Q462-R465 PolarHBondContact O-N 2.99Å; I463-R465 PolarHBondContact O-N 2.82Å; R465-T469 PolarHBondContact O-N 3.47Å; R465-T469 PolarHBondContact O-OG1 3.23Å
466W94.8Very high89.8Confident61 Ų6156 Ų5623%0.23131%0.307CS..Hα-helixtrans-67-40.4176.7-62.5-29.8000112.6T423 W424 L427 Q462 I463 E464 T469 L470T423-W466 HydrophobicContact CG2-CZ3 4.34Å; W424-W466 HydrophobicContact CH2-CB 4.14Å; W424-W466 HydrophobicContact CH2-CG 4.28Å; W424-W466 HydrophobicContact CZ2-CB 3.89Å; W424-W466 AromaticContact CZ2-CD1 3.78Å; W424-W466 AromaticContact CZ2-CD2 3.79Å; W424-W466 HydrophobicContact CZ2-CD2 3.79Å; W424-W466 HydrophobicContact CZ2-CE3 4.38Å; W424-W466 AromaticContact CZ2-CG 3.55Å; W424-W466 HydrophobicContact CZ2-CG 3.55Å; W424-W466 AromaticContact NE1-CD2 3.93Å; W424-W466 AromaticContact NE1-CE2 3.9Å; W424-W466 AromaticContact NE1-CE3 3.98Å; W424-W466 AromaticContact NE1-CZ2 3.96Å; L427-W466 HydrophobicContact CD2-CB 3.79Å; L427-W466 HydrophobicContact CD2-CE3 4.03Å; Q462-W466 HydrophobicContact CG-CD2 4.44Å; Q462-W466 HydrophobicContact CG-CH2 3.8Å; Q462-W466 HydrophobicContact CG-CZ2 3.59Å; Q462-W466 HydrophobicContact CG-CZ3 4.31Å; Q462-W466 PolarHBondContact O-N 3.21Å; I463-W466 HydrophobicContact CG1-CE3 4.07Å; I463-W466 HydrophobicContact CG1-CZ3 4.03Å; I463-W466 PolarHBondContact O-N 3.43Å; I463-W466 VanDerWaalsContact O-N 3.13Å; E464-W466 PolarHBondContact O-N 3.37Å; W466-T469 PolarHBondContact O-N 3.06Å; W466-L470 VanDerWaalsContact O-CG 3.28Å; W466-L470 WeakPolarHBondContact O-CG 3.26Å; W466-L470 PolarHBondContact O-N 2.97Å; W466-L470 VanDerWaalsContact O-N 3.07Å
467M95.4Very high88.5Confident0 Ų057.4 Ų57.40%033%0.328CS..Hα-helixtrans-59.6-51.2174.8-73.6177.2170.700110.7L427 F452 I463 E464 T469 L470 L471 V483 I505 L507L427-M467 HydrophobicContact CD1-CE 3.68Å; L427-M467 HydrophobicContact CD1-CG 3.85Å; F452-M467 HydrophobicContact CB-CE 4.07Å; F452-M467 HydrophobicContact CD1-CE 4.43Å; F452-M467 HydrophobicContact CD2-CE 3.26Å; F452-M467 HydrophobicContact CE2-CE 3.73Å; F452-M467 HydrophobicContact CG-CE 3.67Å; F452-M467 HydrophobicContact CZ-CE 4.5Å; I463-M467 HydrophobicContact CG2-CE 3.69Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.13Å; I463-M467 WeakPolarHBondContact O-CG 3.26Å; I463-M467 PolarHBondContact O-N 3.32Å; E464-M467 PolarHBondContact O-N 3.11Å; M467-T469 VanDerWaalsContact C-N 3.32Å; M467-T469 PolarHBondContact O-N 2.82Å; M467-L470 PolarHBondContact O-N 2.97Å; M467-L470 VanDerWaalsContact O-N 3.08Å; M467-L471 HydrophobicContact CB-CD1 4.12Å; M467-L471 WeakPolarHBondContact O-CB 3.34Å; M467-L471 WeakPolarHBondContact O-CD1 3.49Å; M467-L471 VanDerWaalsContact O-CG 3.25Å; M467-L471 WeakPolarHBondContact O-CG 3.45Å; M467-L471 PolarHBondContact O-N 3.28Å; M467-V483 HydrophobicContact CB-CG2 4.14Å; M467-V483 HydrophobicContact SD-CG2 4.46Å; M467-I505 HydrophobicContact CE-CD1 4.04Å; M467-I505 HydrophobicContact CE-CG2 3.91Å; M467-I505 HydrophobicContact CG-CD1 4.39Å; M467-I505 HydrophobicContact SD-CD1 3.97Å; M467-I505 HydrophobicContact SD-CG2 4.12Å; M467-L507 HydrophobicContact SD-CD2 3.98Å
468S92.3Very high87.2Confident64 Ų6455 Ų5545%0.44832%0.321SS..Hα-helixtrans-57.4-41.3179.5-62.30000112.6E464 C472E464-S468 PolarHBondContact O-N 2.89Å; E464-S468 PolarHBondContact O-OG 2.63Å; E464-S468 VanDerWaalsContact O-OG 3.13Å; S468-C472 WeakPolarHBondContact O-CB 3.4Å; S468-C472 PolarHBondContact O-N 3.42Å
469T91.4Very high86.4Confident57 Ų5756.1 Ų56.135%0.3533%0.332SS..Hα-helixtrans-68.7-35.8175.8-530000113.1M388 R465 W466 M467M388-T469 HydrophobicContact CE-CG2 3.78Å; M388-T469 HydrophobicContact CG-CG2 3.91Å; M388-T469 HydrophobicContact SD-CG2 3.72Å; R465-T469 PolarHBondContact O-N 3.47Å; R465-T469 PolarHBondContact O-OG1 3.23Å; W466-T469 PolarHBondContact O-N 3.06Å; M467-T469 VanDerWaalsContact C-N 3.32Å; M467-T469 PolarHBondContact O-N 2.82Å
470L93.4Very high86.2Confident0 Ų055.7 Ų55.70%033%0.33CS..Hα-helixtrans-68.6-40175.6-71167.8000112.3I381 A384 M385 M388 W424 L427 C431 W466 M467I381-L470 HydrophobicContact CD1-CB 3.99Å; I381-L470 HydrophobicContact CD1-CD2 4.01Å; I381-L470 WeakPolarHBondContact CD1-O 3.28Å; I381-L470 HydrophobicContact CG2-CD2 4.23Å; A384-L470 HydrophobicContact CB-CD2 4.03Å; M385-L470 HydrophobicContact CG-CD2 4Å; M388-L470 HydrophobicContact CE-CD2 3.76Å; M388-L470 HydrophobicContact CE-CG 3.92Å; W424-L470 HydrophobicContact CH2-CD1 4.19Å; W424-L470 HydrophobicContact CH2-CG 4.47Å; W424-L470 HydrophobicContact CZ3-CD1 4.01Å; W424-L470 HydrophobicContact CZ3-CD2 4.22Å; W424-L470 HydrophobicContact CZ3-CG 4.49Å; L427-L470 HydrophobicContact CD2-CD1 4.15Å; L427-L470 HydrophobicContact CG-CD1 3.86Å; C431-L470 HydrophobicContact CB-CB 3.87Å; C431-L470 HydrophobicContact CB-CD1 4.1Å; C431-L470 VanDerWaalsContact SG-CD1 3.53Å; W466-L470 VanDerWaalsContact O-CG 3.28Å; W466-L470 WeakPolarHBondContact O-CG 3.26Å; W466-L470 PolarHBondContact O-N 2.97Å; W466-L470 VanDerWaalsContact O-N 3.07Å; M467-L470 PolarHBondContact O-N 2.97Å; M467-L470 VanDerWaalsContact O-N 3.08Å
471L91.9Very high86Confident10 Ų1059.3 Ų59.35%0.05235%0.347CS..Hα-helixtrans-82.1-38.1-174-66.2161.5000112C431 H435 M467 L473 L474 D482 V483 I505C431-L471 HydrophobicContact CB-CD2 3.9Å; C431-L471 HydrophobicContact CB-CG 4.08Å; C431-L471 WeakPolarHBondContact O-CD2 3.4Å; H435-L471 HydrophobicContact CB-CD2 3.8Å; M467-L471 HydrophobicContact CB-CD1 4.12Å; M467-L471 WeakPolarHBondContact O-CB 3.34Å; M467-L471 WeakPolarHBondContact O-CD1 3.49Å; M467-L471 VanDerWaalsContact O-CG 3.25Å; M467-L471 WeakPolarHBondContact O-CG 3.45Å; M467-L471 PolarHBondContact O-N 3.28Å; L471-L473 VanDerWaalsContact C-N 3.25Å; L471-L473 PolarHBondContact O-N 3.08Å; L471-L473 VanDerWaalsContact O-N 3.17Å; L471-L474 HydrophobicContact CD2-CD1 4.33Å; L471-L474 WeakPolarHBondContact O-CB 3.46Å; L471-L474 PolarHBondContact O-N 2.94Å; L471-D482 HydrophobicContact CD1-CB 4.25Å; L471-V483 HydrophobicContact CD1-CG2 3.42Å; L471-V483 VanDerWaalsContact CD1-CG2 3.42Å; L471-I505 HydrophobicContact CD1-CD1 4.32Å
472C87.2Confident85.9Confident97 Ų9756.4 Ų56.466%0.65534%0.336SS*.Hα-helixtrans-53.6-38.9179.6179.80000113.2S468 L474 G475S468-C472 WeakPolarHBondContact O-CB 3.4Å; S468-C472 PolarHBondContact O-N 3.42Å; C472-L474 VanDerWaalsContact C-N 3.32Å; C472-L474 PolarHBondContact O-N 3.25Å; C472-G475 PolarHBondContact O-N 2.79Å
473L82.2Confident85.9Confident67 Ų6752.9 Ų52.935%0.35132%0.321SS..THydrogen-bonded Turntrans-75.4-14.9178.7-60.4-161.9000114.6I380 A384 L471 G475I380-L473 VanDerWaalsContact CG2-C 3.49Å; I380-L473 HydrophobicContact CG2-CB 3.6Å; I380-L473 WeakPolarHBondContact CG2-O 3.2Å; A384-L473 HydrophobicContact CB-CD1 3.87Å; A384-L473 HydrophobicContact CB-CG 4.37Å; L471-L473 VanDerWaalsContact C-N 3.25Å; L471-L473 PolarHBondContact O-N 3.08Å; L471-L473 VanDerWaalsContact O-N 3.17Å; L473-G475 VanDerWaalsContact C-N 3.31Å
474L84.2Confident85.9Confident40 Ų4052.7 Ų52.721%0.20932%0.32CS..THydrogen-bonded Turntrans-78.6-18.7172.6-64171.5000112I380 I381 H435 L471 C472I380-L474 HydrophobicContact CB-CD2 4.15Å; I380-L474 HydrophobicContact CD1-CD2 4.33Å; I380-L474 HydrophobicContact CG2-CD2 3.88Å; I380-L474 HydrophobicContact CG2-CG 4.4Å; I381-L474 HydrophobicContact CD1-CD1 4.21Å; I381-L474 HydrophobicContact CD1-CG 4.46Å; I381-L474 HydrophobicContact CG1-CD2 4.31Å; H435-L474 HydrophobicContact CB-CD1 3.85Å; L471-L474 HydrophobicContact CD2-CD1 4.33Å; L471-L474 WeakPolarHBondContact O-CB 3.46Å; L471-L474 PolarHBondContact O-N 2.94Å; C472-L474 VanDerWaalsContact C-N 3.32Å; C472-L474 PolarHBondContact O-N 3.25Å
475G73.6Confident86Confident38 Ų3851.5 Ų51.539%0.39232%0.316SS..  trans75.9-171.5-168.600000112H435 C472 L473H435-G475 PolarHBondContact CE1-O 2.93Å; C472-G475 PolarHBondContact O-N 2.79Å; L473-G475 VanDerWaalsContact C-N 3.31Å
476S67.1Low86Confident65 Ų6542.6 Ų42.646%0.45528%0.283SS..  trans-150.7119.1170.4-161.60000109.3D482S476-D482 PolarHBondContact OG-OD2 2.86Å
477A62.3Low86Confident99 Ų9941.5 Ų41.582%0.81828%0.279SS*.SBendtrans-105.8-26-175.500000112.9
478S65.6Low85.6Confident34 Ų3444.5 Ų44.524%0.23830%0.295CS..SBendtrans-85.4-9.2-177.252.80000115Q439 F480Q439-S478 VanDerWaalsContact CD-OG 3.27Å; Q439-S478 PolarHBondContact NE2-OG 2.73Å; Q439-S478 VanDerWaalsContact NE2-OG 3.13Å; Q439-S478 VanDerWaalsContact OE1-CB 3.25Å; Q439-S478 PolarHBondContact OE1-OG 3.48Å; S478-F480 PolarHBondContact O-N 2.94Å; S478-F480 VanDerWaalsContact O-N 3.14Å
479G74.1Confident85.3Confident75 Ų7546.6 Ų46.677%0.77330%0.296SS*.  trans66.910.3179.100000115.2
480F86.3Confident85Confident28 Ų2849.1 Ų49.112%0.12331%0.311CS..SBendtrans-86.1163.9174.1-60.9-49.8000112.2L438 D443 S478 D482 P502L438-F480 HydrophobicContact CD1-CB 3.89Å; L438-F480 HydrophobicContact CD1-CD2 3.88Å; L438-F480 HydrophobicContact CD1-CG 4.21Å; L438-F480 HydrophobicContact CD2-CB 4.05Å; L438-F480 HydrophobicContact CG-CB 4.21Å; L438-F480 HydrophobicContact CG-CD2 4.31Å; D443-F480 HydrophobicContact CB-CZ 4.33Å; S478-F480 PolarHBondContact O-N 2.94Å; S478-F480 VanDerWaalsContact O-N 3.14Å; F480-D482 PolarHBondContact O-N 2.8Å; F480-P502 HydrophobicContact CD1-CB 4.26Å; F480-P502 HydrophobicContact CD1-CG 4.23Å; F480-P502 HydrophobicContact CD2-CB 3.93Å; F480-P502 HydrophobicContact CD2-CG 4.27Å; F480-P502 HydrophobicContact CE1-CB 4.43Å; F480-P502 HydrophobicContact CE1-CG 3.93Å; F480-P502 HydrophobicContact CE2-CB 4.11Å; F480-P502 HydrophobicContact CE2-CG 3.96Å; F480-P502 HydrophobicContact CG-CB 4.06Å; F480-P502 HydrophobicContact CG-CG 4.44Å; F480-P502 HydrophobicContact CZ-CB 4.38Å; F480-P502 HydrophobicContact CZ-CG 3.82Å
481E91.1Very high84.7Confident75 Ų7553.6 Ų53.635%0.3533%0.332SS..EExtended strand (participates in β ladder)trans-77.5110.3177-58.9-169.6-109.100110.3V483 V484 R498 G504E481-V483 VanDerWaalsContact C-N 3.28Å; E481-V483 PolarHBondContact O-N 3.21Å; E481-V484 HydrophobicContact CB-CG2 3.89Å; E481-R498 WeakPolarHBondContact OE1-CG 3.5Å; E481-R498 IonicContact OE1-CZ 2.72Å; E481-R498 IonicContact OE1-NE 3.85Å; E481-R498 PolarHBondContact OE1-NE 2.85Å; E481-R498 IonicContact OE2-CZ 3.19Å; E481-R498 VanDerWaalsContact OE2-CZ 3.23Å; E481-R498 IonicContact OE2-NE 3.54Å; E481-R498 PolarHBondContact OE2-NE 2.71Å; E481-R498 IonicContact OE2-NH2 3.27Å; E481-R498 PolarHBondContact OE2-NH2 3.44Å; E481-G504 PolarHBondContact O-N 3.05Å
482D91.5Very high84.5Confident31 Ų3154.2 Ų54.217%0.16634%0.335CS..EExtended strand (participates in β ladder)trans-63.1-31.7176.4-74.6-81.9000112.7H435 L471 S476 F480 G504 I505H435-D482 IonicContact CE1-OD1 3.65Å; H435-D482 IonicContact CG-OD1 3.73Å; H435-D482 IonicContact ND1-OD1 3.99Å; H435-D482 PolarHBondContact ND1-OD1 2.61Å; L471-D482 HydrophobicContact CD1-CB 4.25Å; S476-D482 PolarHBondContact OG-OD2 2.86Å; F480-D482 PolarHBondContact O-N 2.8Å; D482-G504 CarbonylContact O-C 3.57Å; D482-G504 WeakPolarHBondContact O-CA 3.36Å; D482-I505 PolarHBondContact O-N 3.27Å
483V94.9Very high84.6Confident29 Ų2955.1 Ų55.118%0.17634%0.338CS..EExtended strand (participates in β ladder)trans-138.6129.9174.8-176.80000111M467 L471 E481 T485 I505M467-V483 HydrophobicContact CB-CG2 4.14Å; M467-V483 HydrophobicContact SD-CG2 4.46Å; L471-V483 HydrophobicContact CD1-CG2 3.42Å; L471-V483 VanDerWaalsContact CD1-CG2 3.42Å; E481-V483 VanDerWaalsContact C-N 3.28Å; E481-V483 PolarHBondContact O-N 3.21Å; V483-T485 HydrophobicContact CG1-CG2 4.33Å; V483-I505 CarbonylContact C-O 3.59Å; V483-I505 WeakPolarHBondContact CA-O 3.44Å; V483-I505 HydrophobicContact CG2-CB 4.44Å
484V95.6Very high85.1Confident0 Ų054.9 Ų54.90%034%0.337CS..EExtended strand (participates in β ladder)trans-117.1117.8167.7172.40000108.6E481 I495 V503 I505 L506 L507E481-V484 HydrophobicContact CB-CG2 3.89Å; V484-I495 HydrophobicContact CG1-CD1 3.93Å; V484-I495 HydrophobicContact CG1-CG2 4.41Å; V484-V503 HydrophobicContact CB-CG1 4.04Å; V484-V503 HydrophobicContact CG2-CB 4.45Å; V484-V503 HydrophobicContact CG2-CG1 3.62Å; V484-V503 HydrophobicContact CG2-CG2 3.9Å; V484-I505 PolarHBondContact N-O 2.79Å; V484-L506 HydrophobicContact CG1-CD1 4.33Å; V484-L506 WeakPolarHBondContact O-CA 3.46Å; V484-L507 PolarHBondContact O-N 3.06Å
485T96.3Very high85.5Confident25 Ų2553 Ų5315%0.15333%0.327CS..EExtended strand (participates in β ladder)trans-96.4141.2173.637.50000112.6E464 V483 W487 I495 L507E464-T485 HydrophobicContact CB-CG2 4.41Å; E464-T485 VanDerWaalsContact CD-CG2 3.48Å; E464-T485 HydrophobicContact CG-CG2 4.03Å; E464-T485 WeakPolarHBondContact OE1-CB 3.45Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.4Å; E464-T485 PolarHBondContact OE1-OG1 2.93Å; V483-T485 HydrophobicContact CG1-CG2 4.33Å; T485-W487 HydrophobicContact CG2-CZ2 4.08Å; T485-I495 WeakPolarHBondContact O-CD1 3.36Å; T485-L507 WeakPolarHBondContact CA-O 3.39Å; T485-L507 HydrophobicContact CG2-CB 3.88Å; T485-L507 HydrophobicContact CG2-CD2 3.81Å; T485-L507 HydrophobicContact CG2-CG 3.96Å
486H95.3Very high86.4Confident0 Ų052.7 Ų52.70%032%0.317CS..EExtended strand (participates in β ladder)trans-133.8112.1176.5178.539.2000110.2D488 I495 L506 L507 T508 L512H486-D488 PolarHBondContact CE1-O 2.96Å; H486-D488 PolarHBondContact ND1-O 3.49Å; H486-I495 HydrophobicContact CB-CD1 4.26Å; H486-I495 HydrophobicContact CB-CG1 3.97Å; H486-I495 HydrophobicContact CB-CG2 4.07Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; H486-L507 PolarHBondContact N-O 3.27Å; H486-T508 WeakPolarHBondContact O-CB 3.49Å; H486-T508 PolarHBondContact O-OG1 3.02Å; H486-L512 VanDerWaalsContact O-CD1 3.24Å; H486-L512 WeakPolarHBondContact O-CD1 3.44Å
487W93.4Very high87.6Confident37 Ų3756.7 Ų56.714%0.1432%0.322CS..  trans-129.8-6.4-174.9-57.3123000115.3C454 Q457 G460 T485 L507 T508 L512C454-W487 VanDerWaalsContact SG-CH2 3.51Å; Q457-W487 HydrophobicContact CB-CB 4.41Å; Q457-W487 HydrophobicContact CB-CD2 4.03Å; Q457-W487 HydrophobicContact CB-CE3 4.02Å; Q457-W487 HydrophobicContact CB-CG 4.21Å; Q457-W487 HydrophobicContact CG-CB 3.98Å; Q457-W487 HydrophobicContact CG-CD2 3.84Å; Q457-W487 HydrophobicContact CG-CE3 4.35Å; Q457-W487 HydrophobicContact CG-CG 3.64Å; G460-W487 VanDerWaalsContact CA-CH2 3.5Å; G460-W487 VanDerWaalsContact CA-CZ2 3.43Å; T485-W487 HydrophobicContact CG2-CZ2 4.08Å; W487-L507 HydrophobicContact CH2-CD1 4.2Å; W487-L507 HydrophobicContact CH2-CG 4Å; W487-L507 HydrophobicContact CZ2-CD1 4.43Å; W487-L507 HydrophobicContact CZ2-CD2 4.2Å; W487-L507 HydrophobicContact CZ2-CG 3.78Å; W487-T508 VanDerWaalsContact CZ3-C 3.42Å; W487-L512 VanDerWaalsContact C-CD1 3.42Å
488D88.7Confident89Confident64 Ų6454.2 Ų54.234%0.34229%0.292SS..  trans-134.2135.4-179.2-179.59.1000110.8H486 T490 Q491H486-D488 PolarHBondContact CE1-O 2.96Å; H486-D488 PolarHBondContact ND1-O 3.49Å; D488-T490 VanDerWaalsContact C-N 3.28Å; D488-T490 VanDerWaalsContact CG-OG1 3.27Å; D488-T490 PolarHBondContact O-N 3.03Å; D488-T490 PolarHBondContact OD1-N 3.17Å; D488-T490 PolarHBondContact OD2-OG1 3.31Å; D488-Q491 HydrophobicContact CB-CG 4.12Å; D488-Q491 PolarHBondContact O-N 3.21Å
489K84.3Confident90.3Very high107 Ų10752.6 Ų52.647%0.46528%0.281SS..G310 helixtrans-68-25.5179.2-63.1-175.1174163.60112.5Q491 D511 L512K489-Q491 PolarHBondContact O-N 2.87Å; K489-D511 WeakPolarHBondContact CE-OD2 3.25Å; K489-D511 IonicContact NZ-OD2 3.4Å; K489-D511 PolarHBondContact NZ-OD2 3.01Å; K489-L512 HydrophobicContact CB-CD2 4.47Å; K489-L512 HydrophobicContact CD-CD2 4.23Å; K489-L512 HydrophobicContact CG-CD2 3.38Å
490T86.1Confident91.2Very high111 Ų11155.3 Ų55.368%0.68127%0.271SS*.G310 helixtrans-64.8-32173.9750000111.8D488 L492D488-T490 VanDerWaalsContact C-N 3.28Å; D488-T490 VanDerWaalsContact CG-OG1 3.27Å; D488-T490 PolarHBondContact O-N 3.03Å; D488-T490 PolarHBondContact OD1-N 3.17Å; D488-T490 PolarHBondContact OD2-OG1 3.31Å; T490-L492 VanDerWaalsContact C-N 3.26Å; T490-L492 PolarHBondContact O-N 3.09Å
491Q87.7Confident91.4Very high94 Ų9460.5 Ų60.544%0.43929%0.294SS..G310 helixtrans-81.62.3-174.1-60.9178.4-12.100113.8D488 K489 V493 D494 I495D488-Q491 HydrophobicContact CB-CG 4.12Å; D488-Q491 PolarHBondContact O-N 3.21Å; K489-Q491 PolarHBondContact O-N 2.87Å; Q491-V493 PolarHBondContact O-N 2.84Å; Q491-V493 VanDerWaalsContact O-N 3.12Å; Q491-D494 PolarHBondContact O-N 3.31Å; Q491-I495 HydrophobicContact CB-CG1 4.49Å; Q491-I495 PolarHBondContact O-N 2.89Å; Q491-I495 VanDerWaalsContact O-N 3.08Å
492L88Confident91.5Very high22 Ų2257 Ų5712%0.11528%0.277CS..Hα-helixtrans-48-45.9-175.7179.372.1000112.7T490 D494 I495 V496 Q515 L516T490-L492 VanDerWaalsContact C-N 3.26Å; T490-L492 PolarHBondContact O-N 3.09Å; L492-D494 VanDerWaalsContact C-N 3.32Å; L492-D494 PolarHBondContact O-N 2.85Å; L492-I495 PolarHBondContact O-N 3.06Å; L492-V496 HydrophobicContact CD1-CG2 4.14Å; L492-V496 HydrophobicContact CG-CG2 4.24Å; L492-V496 VanDerWaalsContact O-CB 3.32Å; L492-V496 WeakPolarHBondContact O-CB 3.38Å; L492-V496 WeakPolarHBondContact O-CG2 3.44Å; L492-V496 PolarHBondContact O-N 2.73Å; L492-Q515 HydrophobicContact CD1-CG 4.09Å; L492-Q515 HydrophobicContact CD2-CG 4.39Å; L492-L516 HydrophobicContact CD1-CD2 3.69Å; L492-L516 HydrophobicContact CD1-CG 4.3Å
493V88.9Confident91.6Very high117 Ų11755.6 Ų55.671%0.70927%0.27SS*.Hα-helixtrans-63.9-37.2-176.8-1780000111.8Q491 R497Q491-V493 PolarHBondContact O-N 2.84Å; Q491-V493 VanDerWaalsContact O-N 3.12Å; V493-R497 WeakPolarHBondContact O-CB 3.33Å; V493-R497 PolarHBondContact O-N 2.67Å
494D92Very high91.6Very high61 Ų6154.2 Ų54.233%0.32626%0.262SS..Hα-helixtrans-73.1-41.9177.7-174.265.2000112.3Q491 L492 V496 R497 R498Q491-D494 PolarHBondContact O-N 3.31Å; L492-D494 VanDerWaalsContact C-N 3.32Å; L492-D494 PolarHBondContact O-N 2.85Å; D494-V496 PolarHBondContact O-N 3.23Å; D494-R497 WeakPolarHBondContact O-CA 3.5Å; D494-R497 VanDerWaalsContact O-CB 3.32Å; D494-R497 WeakPolarHBondContact O-CB 3.42Å; D494-R497 PolarHBondContact O-N 3.38Å; D494-R497 VanDerWaalsContact O-N 3.1Å; D494-R497 IonicContact OD1-CZ 2.72Å; D494-R497 IonicContact OD1-NE 3.23Å; D494-R497 PolarHBondContact OD1-NE 3.4Å; D494-R497 IonicContact OD1-NH2 2.81Å; D494-R497 PolarHBondContact OD1-NH2 2.89Å; D494-R497 IonicContact OD2-NH2 2.95Å; D494-R498 WeakPolarHBondContact O-CG 3.32Å; D494-R498 PolarHBondContact O-N 3.45Å; D494-R498 WeakPolarHBondContact OD2-CD 3.37Å; D494-R498 IonicContact OD2-NH1 2.68Å
495I93.8Very high91.7Very high0 Ų054.3 Ų54.30%026%0.262CS..Hα-helixtrans-65.2-41.9176.5-59.2-57.1000110.6V484 T485 H486 Q491 L492 R497 R498 L499 L516V484-I495 HydrophobicContact CG1-CD1 3.93Å; V484-I495 HydrophobicContact CG1-CG2 4.41Å; T485-I495 WeakPolarHBondContact O-CD1 3.36Å; H486-I495 HydrophobicContact CB-CD1 4.26Å; H486-I495 HydrophobicContact CB-CG1 3.97Å; H486-I495 HydrophobicContact CB-CG2 4.07Å; Q491-I495 HydrophobicContact CB-CG1 4.49Å; Q491-I495 PolarHBondContact O-N 2.89Å; Q491-I495 VanDerWaalsContact O-N 3.08Å; L492-I495 PolarHBondContact O-N 3.06Å; I495-R497 VanDerWaalsContact C-N 3.28Å; I495-R497 PolarHBondContact O-N 2.99Å; I495-R498 PolarHBondContact O-N 3.34Å; I495-L499 HydrophobicContact CG2-CD1 3.87Å; I495-L499 HydrophobicContact CG2-CG 4.24Å; I495-L499 WeakPolarHBondContact O-CB 3.06Å; I495-L499 VanDerWaalsContact O-CG 3.28Å; I495-L499 WeakPolarHBondContact O-CG 3.35Å; I495-L499 PolarHBondContact O-N 3.17Å; I495-L516 HydrophobicContact CG2-CD1 4.07Å; I495-L516 HydrophobicContact CG2-CD2 4.04Å
496V91.9Very high91.8Very high32 Ų3253.1 Ų53.119%0.19426%0.255CS..Hα-helixtrans-60.1-37.1171.3167.40000111.6L492 D494 K500 L516 I525L492-V496 HydrophobicContact CD1-CG2 4.14Å; L492-V496 HydrophobicContact CG-CG2 4.24Å; L492-V496 VanDerWaalsContact O-CB 3.32Å; L492-V496 WeakPolarHBondContact O-CB 3.38Å; L492-V496 WeakPolarHBondContact O-CG2 3.44Å; L492-V496 PolarHBondContact O-N 2.73Å; D494-V496 PolarHBondContact O-N 3.23Å; V496-K500 WeakPolarHBondContact O-CG 3.17Å; V496-K500 PolarHBondContact O-N 3.16Å; V496-L516 HydrophobicContact CG2-CD2 3.86Å; V496-I525 HydrophobicContact CG1-CG2 4.11Å; V496-I525 HydrophobicContact CG2-CD1 4.28Å
497R91Very high91.9Very high149 Ų14953.1 Ų53.156%0.56226%0.255SS*.Hα-helixtrans-66.1-42.7174.9179.2-16669.178.91.5112V493 D494 I495V493-R497 WeakPolarHBondContact O-CB 3.33Å; V493-R497 PolarHBondContact O-N 2.67Å; D494-R497 WeakPolarHBondContact O-CA 3.5Å; D494-R497 VanDerWaalsContact O-CB 3.32Å; D494-R497 WeakPolarHBondContact O-CB 3.42Å; D494-R497 PolarHBondContact O-N 3.38Å; D494-R497 VanDerWaalsContact O-N 3.1Å; D494-R497 IonicContact OD1-CZ 2.72Å; D494-R497 IonicContact OD1-NE 3.23Å; D494-R497 PolarHBondContact OD1-NE 3.4Å; D494-R497 IonicContact OD1-NH2 2.81Å; D494-R497 PolarHBondContact OD1-NH2 2.89Å; D494-R497 IonicContact OD2-NH2 2.95Å; I495-R497 VanDerWaalsContact C-N 3.28Å; I495-R497 PolarHBondContact O-N 2.99Å
498R92.9Very high92.1Very high48 Ų4851.3 Ų51.318%0.18125%0.248CC..Hα-helixtrans-68.5-45.5178.8-69.9163.471.3-169.31.5111.6E481 D494 I495 K500 K501E481-R498 WeakPolarHBondContact OE1-CG 3.5Å; E481-R498 IonicContact OE1-CZ 2.72Å; E481-R498 IonicContact OE1-NE 3.85Å; E481-R498 PolarHBondContact OE1-NE 2.85Å; E481-R498 IonicContact OE2-CZ 3.19Å; E481-R498 VanDerWaalsContact OE2-CZ 3.23Å; E481-R498 IonicContact OE2-NE 3.54Å; E481-R498 PolarHBondContact OE2-NE 2.71Å; E481-R498 IonicContact OE2-NH2 3.27Å; E481-R498 PolarHBondContact OE2-NH2 3.44Å; D494-R498 WeakPolarHBondContact O-CG 3.32Å; D494-R498 PolarHBondContact O-N 3.45Å; D494-R498 WeakPolarHBondContact OD2-CD 3.37Å; D494-R498 IonicContact OD2-NH1 2.68Å; I495-R498 PolarHBondContact O-N 3.34Å; R498-K500 PolarHBondContact O-N 2.94Å; R498-K501 PolarHBondContact O-N 2.8Å; R498-K501 VanDerWaalsContact O-N 3.09Å
499L93.4Very high92.4Very high0 Ų048.8 Ų48.80%024%0.236CC..THydrogen-bonded Turntrans-68-2.9178.1-64.1178000115G447 I495 K501 V503 L506 L516 I525 F526G447-L499 WeakPolarHBondContact CA-O 3.39Å; G447-L499 PolarHBondContact N-O 3.41Å; I495-L499 HydrophobicContact CG2-CD1 3.87Å; I495-L499 HydrophobicContact CG2-CG 4.24Å; I495-L499 WeakPolarHBondContact O-CB 3.06Å; I495-L499 VanDerWaalsContact O-CG 3.28Å; I495-L499 WeakPolarHBondContact O-CG 3.35Å; I495-L499 PolarHBondContact O-N 3.17Å; L499-K501 VanDerWaalsContact C-N 3.26Å; L499-V503 HydrophobicContact CD2-CB 4.41Å; L499-V503 HydrophobicContact CD2-CG1 4.5Å; L499-V503 HydrophobicContact CD2-CG2 4.22Å; L499-L506 HydrophobicContact CD1-CD1 4.37Å; L499-L506 HydrophobicContact CD1-CD2 4.03Å; L499-L506 HydrophobicContact CD2-CD1 4.47Å; L499-L516 HydrophobicContact CD1-CD1 4.11Å; L499-L516 HydrophobicContact CD1-CD2 4.32Å; L499-I525 HydrophobicContact CB-CB 3.97Å; L499-I525 HydrophobicContact CB-CG2 4.09Å; L499-F526 HydrophobicContact CD1-CZ 4.49Å
500K91.2Very high92.9Very high132 Ų13243.9 Ų43.957%0.57421%0.214SC*.THydrogen-bonded Turntrans-73-15.9167.3-76.6175-177.3-175.30113.4R446 V496 R498 I525R446-K500 WeakPolarHBondContact CB-O 3.37Å; V496-K500 WeakPolarHBondContact O-CG 3.17Å; V496-K500 PolarHBondContact O-N 3.16Å; R498-K500 PolarHBondContact O-N 2.94Å; K500-I525 HydrophobicContact CG-CG2 4.35Å
501K91.3Very high93.2Very high137 Ų13740.2 Ų40.260%0.59619%0.191SC*.SBendtrans-101.7169.7173.4-72.8-168.3173.3-166.50111.2G445 R446 G447 R498 L499G445-K501 CarbonylContact O-C 3.54Å; R446-K501 CarbonylContact C-O 3.53Å; R446-K501 WeakPolarHBondContact CA-O 3.44Å; G447-K501 PolarHBondContact N-O 3.38Å; G447-K501 VanDerWaalsContact N-O 3.09Å; R498-K501 PolarHBondContact O-N 2.8Å; R498-K501 VanDerWaalsContact O-N 3.09Å; L499-K501 VanDerWaalsContact C-N 3.26Å
502P93.6Very high93.5Very high1 Ų136 Ų361%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-60.9137.6166.5-18.232.6000110.4L438 R441 P442 G445 F480L438-P502 HydrophobicContact CD1-CB 3.88Å; R441-P502 HydrophobicContact CB-CB 4.25Å; P442-P502 WeakPolarHBondContact O-CG 2.96Å; G445-P502 WeakPolarHBondContact O-CD 3.24Å; F480-P502 HydrophobicContact CD1-CB 4.26Å; F480-P502 HydrophobicContact CD1-CG 4.23Å; F480-P502 HydrophobicContact CD2-CB 3.93Å; F480-P502 HydrophobicContact CD2-CG 4.27Å; F480-P502 HydrophobicContact CE1-CB 4.43Å; F480-P502 HydrophobicContact CE1-CG 3.93Å; F480-P502 HydrophobicContact CE2-CB 4.11Å; F480-P502 HydrophobicContact CE2-CG 3.96Å; F480-P502 HydrophobicContact CG-CB 4.06Å; F480-P502 HydrophobicContact CG-CG 4.44Å; F480-P502 HydrophobicContact CZ-CB 4.38Å; F480-P502 HydrophobicContact CZ-CG 3.82Å
503V94.3Very high93.8Very high1 Ų135 Ų351%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-135.3147.8176.4167.60000108.9G447 P448 T449 V484 L499G447-V503 PolarHBondContact O-N 2.55Å; G447-V503 VanDerWaalsContact O-N 3.14Å; P448-V503 CarbonylContact C-O 3.58Å; P448-V503 WeakPolarHBondContact CA-O 3.4Å; P448-V503 HydrophobicContact CB-CG1 4.4Å; T449-V503 PolarHBondContact N-O 2.84Å; T449-V503 PolarHBondContact OG1-O 2.77Å; V484-V503 HydrophobicContact CB-CG1 4.04Å; V484-V503 HydrophobicContact CG2-CB 4.45Å; V484-V503 HydrophobicContact CG2-CG1 3.62Å; V484-V503 HydrophobicContact CG2-CG2 3.9Å; L499-V503 HydrophobicContact CD2-CB 4.41Å; L499-V503 HydrophobicContact CD2-CG1 4.5Å; L499-V503 HydrophobicContact CD2-CG2 4.22Å
504G94.6Very high94Very high1 Ų130 Ų301%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-69.1-79.8173.600000111T449 C450 E481 D482T449-G504 CarbonylContact C-O 3.55Å; T449-G504 WeakPolarHBondContact CA-O 3.46Å; T449-G504 WeakPolarHBondContact CB-O 3.32Å; T449-G504 PolarHBondContact N-O 2.77Å; C450-G504 PolarHBondContact N-O 3.33Å; E481-G504 PolarHBondContact O-N 3.05Å; D482-G504 CarbonylContact O-C 3.57Å; D482-G504 WeakPolarHBondContact O-CA 3.36Å
505I97.4Very high93.9Very high1 Ų129.2 Ų29.21%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-118.1127.5-175.6-49.6178.1000110.7V430 C450 F452 M467 L471 D482 V483 V484V430-I505 HydrophobicContact CG1-CD1 4.2Å; C450-I505 HydrophobicContact CB-CG1 4.36Å; C450-I505 HydrophobicContact CB-CG2 4.49Å; C450-I505 CarbonylContact O-C 3.6Å; C450-I505 WeakPolarHBondContact O-CA 3.28Å; F452-I505 HydrophobicContact CB-CG2 4Å; M467-I505 HydrophobicContact CE-CD1 4.04Å; M467-I505 HydrophobicContact CE-CG2 3.91Å; M467-I505 HydrophobicContact CG-CD1 4.39Å; M467-I505 HydrophobicContact SD-CD1 3.97Å; M467-I505 HydrophobicContact SD-CG2 4.12Å; L471-I505 HydrophobicContact CD1-CD1 4.32Å; D482-I505 PolarHBondContact O-N 3.27Å; V483-I505 CarbonylContact C-O 3.59Å; V483-I505 WeakPolarHBondContact CA-O 3.44Å; V483-I505 HydrophobicContact CG2-CB 4.44Å; V484-I505 PolarHBondContact N-O 2.79Å
506L97.7Very high93.9Very high0 Ų029.2 Ų29.20%013%0.13CC..EExtended strand (participates in β ladder)trans-92.2116.4162.8170.863.1000108.9P448 C450 F452 V484 H486 L499 T508 L513 L516 F526P448-L506 HydrophobicContact CB-CB 3.7Å; P448-L506 HydrophobicContact CG-CB 3.86Å; P448-L506 HydrophobicContact CG-CD2 4.32Å; C450-L506 PolarHBondContact O-N 2.78Å; F452-L506 PolarHBondContact N-O 2.81Å; V484-L506 HydrophobicContact CG1-CD1 4.33Å; V484-L506 WeakPolarHBondContact O-CA 3.46Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; L499-L506 HydrophobicContact CD1-CD1 4.37Å; L499-L506 HydrophobicContact CD1-CD2 4.03Å; L499-L506 HydrophobicContact CD2-CD1 4.47Å; L506-T508 HydrophobicContact CG-CG2 4.39Å; L506-L513 HydrophobicContact CD2-CD1 4.37Å; L506-L516 HydrophobicContact CD1-CD1 4.44Å; L506-L516 HydrophobicContact CD2-CD1 3.99Å; L506-F526 HydrophobicContact CD2-CE1 3.85Å; L506-F526 HydrophobicContact CD2-CZ 3.97Å
507L98.2Very high93.7Very high0 Ų028 Ų280%012%0.122CC..EExtended strand (participates in β ladder)trans-113120180171.563.7000110.9F452 I463 E464 M467 V484 T485 H486 W487F452-L507 HydrophobicContact CB-CB 4.45Å; F452-L507 HydrophobicContact CB-CD1 3.89Å; F452-L507 HydrophobicContact CD1-CD1 3.51Å; F452-L507 HydrophobicContact CE1-CD1 4.37Å; F452-L507 HydrophobicContact CG-CD1 3.94Å; F452-L507 WeakPolarHBondContact O-CA 3.36Å; I463-L507 HydrophobicContact CB-CD2 4.46Å; I463-L507 HydrophobicContact CG2-CD1 4.39Å; I463-L507 HydrophobicContact CG2-CD2 4.23Å; E464-L507 HydrophobicContact CB-CD2 3.9Å; M467-L507 HydrophobicContact SD-CD2 3.98Å; V484-L507 PolarHBondContact O-N 3.06Å; T485-L507 WeakPolarHBondContact CA-O 3.39Å; T485-L507 HydrophobicContact CG2-CB 3.88Å; T485-L507 HydrophobicContact CG2-CD2 3.81Å; T485-L507 HydrophobicContact CG2-CG 3.96Å; H486-L507 PolarHBondContact N-O 3.27Å; W487-L507 HydrophobicContact CH2-CD1 4.2Å; W487-L507 HydrophobicContact CH2-CG 4Å; W487-L507 HydrophobicContact CZ2-CD1 4.43Å; W487-L507 HydrophobicContact CZ2-CD2 4.2Å; W487-L507 HydrophobicContact CZ2-CG 3.78Å
508T97.5Very high93.4Very high0 Ų025.6 Ų25.60%012%0.12CC..EExtended strand (participates in β ladder)trans-159.6-175.7-169.9-1660000113.7F452 V453 C454 H486 W487 L506 L512 L513F452-T508 PolarHBondContact O-N 2.95Å; V453-T508 WeakPolarHBondContact CA-O 3.37Å; C454-T508 PolarHBondContact N-O 2.75Å; H486-T508 WeakPolarHBondContact O-CB 3.49Å; H486-T508 PolarHBondContact O-OG1 3.02Å; W487-T508 VanDerWaalsContact CZ3-C 3.42Å; L506-T508 HydrophobicContact CG-CG2 4.39Å; T508-L512 VanDerWaalsContact OG1-CB 3.26Å; T508-L512 WeakPolarHBondContact OG1-CB 3.37Å; T508-L513 HydrophobicContact CG2-CB 3.82Å
509S95.7Very high92.7Very high11 Ų1128.3 Ų28.38%0.07714%0.135CC..  trans-100.9167.417363.10000112.4D511 L512 L513S509-D511 WeakPolarHBondContact CB-OD1 3.24Å; S509-D511 PolarHBondContact O-N 2.96Å; S509-D511 PolarHBondContact OG-OD1 3.17Å; S509-L512 PolarHBondContact O-N 2.75Å; S509-L512 WeakPolarHBondContact OG-CD1 3.29Å; S509-L512 VanDerWaalsContact OG-CG 3.27Å; S509-L512 WeakPolarHBondContact OG-CG 3.16Å; S509-L513 WeakPolarHBondContact O-CB 3.41Å; S509-L513 PolarHBondContact O-N 2.9Å
510V94.7Very high91.7Very high3 Ų329.3 Ų29.32%0.01814%0.14CC..Hα-helixtrans-55.2-52.6-178.1170.50000112.6V453 L512 L513 L514 M542 L546 D549 L553V453-V510 HydrophobicContact CG1-CG2 3.79Å; V510-L512 PolarHBondContact O-N 2.97Å; V510-L513 PolarHBondContact O-N 3.14Å; V510-L514 VanDerWaalsContact O-CB 3.29Å; V510-L514 WeakPolarHBondContact O-CB 3.42Å; V510-L514 PolarHBondContact O-N 2.94Å; V510-M542 HydrophobicContact CG2-CB 3.96Å; V510-M542 HydrophobicContact CG2-CG 4.01Å; V510-M542 HydrophobicContact CG2-SD 3.53Å; V510-M542 VanDerWaalsContact CG2-SD 3.53Å; V510-L546 HydrophobicContact CB-CD1 4.32Å; V510-D549 HydrophobicContact CG1-CB 4.19Å; V510-L553 HydrophobicContact CB-CD2 4.36Å; V510-L553 HydrophobicContact CG1-CB 4.26Å; V510-L553 HydrophobicContact CG1-CD2 4.04Å; V510-L553 HydrophobicContact CG2-CD2 4.14Å
511D91.8Very high90.2Very high35 Ų3528.4 Ų28.419%0.18715%0.148CC..Hα-helixtrans-67.5-35.4-17661.3-39.8000113.1K489 S509 L514 Q515 L546K489-D511 WeakPolarHBondContact CE-OD2 3.25Å; K489-D511 IonicContact NZ-OD2 3.4Å; K489-D511 PolarHBondContact NZ-OD2 3.01Å; S509-D511 WeakPolarHBondContact CB-OD1 3.24Å; S509-D511 PolarHBondContact O-N 2.96Å; S509-D511 PolarHBondContact OG-OD1 3.17Å; D511-L514 PolarHBondContact O-N 3.2Å; D511-Q515 WeakPolarHBondContact O-CB 3.31Å; D511-Q515 PolarHBondContact O-N 2.96Å; D511-L546 HydrophobicContact CB-CD1 3.88Å
512L94.3Very high88.5Confident4 Ų428.2 Ų28.22%0.02116%0.158CC..Hα-helixtrans-72.4-41.7176.8-67.7-178.8000112.1H486 W487 K489 T508 S509 V510 L514 Q515 L516H486-L512 VanDerWaalsContact O-CD1 3.24Å; H486-L512 WeakPolarHBondContact O-CD1 3.44Å; W487-L512 VanDerWaalsContact C-CD1 3.42Å; K489-L512 HydrophobicContact CB-CD2 4.47Å; K489-L512 HydrophobicContact CD-CD2 4.23Å; K489-L512 HydrophobicContact CG-CD2 3.38Å; T508-L512 VanDerWaalsContact OG1-CB 3.26Å; T508-L512 WeakPolarHBondContact OG1-CB 3.37Å; S509-L512 PolarHBondContact O-N 2.75Å; S509-L512 WeakPolarHBondContact OG-CD1 3.29Å; S509-L512 VanDerWaalsContact OG-CG 3.27Å; S509-L512 WeakPolarHBondContact OG-CG 3.16Å; V510-L512 PolarHBondContact O-N 2.97Å; L512-L514 VanDerWaalsContact C-N 3.33Å; L512-Q515 WeakPolarHBondContact O-CB 3.35Å; L512-Q515 PolarHBondContact O-N 3Å; L512-L516 PolarHBondContact O-N 2.98Å
513L94.9Very high87.1Confident1 Ų129.2 Ų29.21%0.00517%0.168CC..Hα-helixtrans-60.2-45.7169.2-179.756.9000110.6I451 V453 L506 T508 S509 V510 Q515 L516 L517 F526 L553I451-L513 HydrophobicContact CG2-CD1 4.05Å; I451-L513 HydrophobicContact CG2-CD2 3.78Å; V453-L513 HydrophobicContact CG2-CD2 3.55Å; L506-L513 HydrophobicContact CD2-CD1 4.37Å; T508-L513 HydrophobicContact CG2-CB 3.82Å; S509-L513 WeakPolarHBondContact O-CB 3.41Å; S509-L513 PolarHBondContact O-N 2.9Å; V510-L513 PolarHBondContact O-N 3.14Å; L513-Q515 VanDerWaalsContact C-N 3.26Å; L513-Q515 PolarHBondContact O-N 3.16Å; L513-L516 WeakPolarHBondContact O-CB 3.31Å; L513-L516 PolarHBondContact O-N 3.48Å; L513-L516 VanDerWaalsContact O-N 3.08Å; L513-L517 HydrophobicContact CD1-CD1 4.47Å; L513-L517 HydrophobicContact CD1-CD2 4.14Å; L513-L517 HydrophobicContact CD1-CG 4.03Å; L513-L517 HydrophobicContact CG-CD1 4.14Å; L513-L517 HydrophobicContact CG-CG 4.14Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.44Å; L513-L517 PolarHBondContact O-N 2.87Å; L513-F526 HydrophobicContact CD1-CE1 4.43Å; L513-F526 HydrophobicContact CD1-CZ 4.01Å; L513-L553 HydrophobicContact CD2-CD1 3.72Å; L513-L553 HydrophobicContact CD2-CD2 4.09Å; L513-L553 HydrophobicContact CG-CD1 4.08Å
514L92.1Very high86.2Confident12 Ų1231.5 Ų31.56%0.06318%0.184CC..Hα-helixtrans-61.9-34.9179.5-149.6178.3000111.9V510 D511 L512 N518 D549 K552 L553V510-L514 VanDerWaalsContact O-CB 3.29Å; V510-L514 WeakPolarHBondContact O-CB 3.42Å; V510-L514 PolarHBondContact O-N 2.94Å; D511-L514 PolarHBondContact O-N 3.2Å; L512-L514 VanDerWaalsContact C-N 3.33Å; L514-N518 WeakPolarHBondContact O-CB 3.19Å; L514-N518 VanDerWaalsContact O-CG 3.23Å; L514-N518 PolarHBondContact O-N 3.2Å; L514-N518 VanDerWaalsContact O-N 3.11Å; L514-N518 PolarHBondContact O-ND2 3.43Å; L514-D549 HydrophobicContact CD1-CB 3.79Å; L514-K552 HydrophobicContact CD1-CB 3.95Å; L514-K552 HydrophobicContact CD1-CD 4.29Å; L514-K552 HydrophobicContact CD2-CB 4.39Å; L514-L553 HydrophobicContact CD2-CB 4.07Å; L514-L553 HydrophobicContact CD2-CD1 4.28Å
515Q90.8Very high85.9Confident46 Ų4631.5 Ų31.522%0.21518%0.184CC..Hα-helixtrans-63.9-48.6171-170.5171.9-1000111.2L492 D511 L512 L513 N518 H519L492-Q515 HydrophobicContact CD1-CG 4.09Å; L492-Q515 HydrophobicContact CD2-CG 4.39Å; D511-Q515 WeakPolarHBondContact O-CB 3.31Å; D511-Q515 PolarHBondContact O-N 2.96Å; L512-Q515 WeakPolarHBondContact O-CB 3.35Å; L512-Q515 PolarHBondContact O-N 3Å; L513-Q515 VanDerWaalsContact C-N 3.26Å; L513-Q515 PolarHBondContact O-N 3.16Å; Q515-N518 PolarHBondContact O-N 2.9Å; Q515-H519 PolarHBondContact O-CD2 2.84Å; Q515-H519 VanDerWaalsContact O-CD2 3.24Å; Q515-H519 PolarHBondContact O-N 2.76Å
516L91.9Very high85.4Confident0 Ų031.8 Ų31.80%019%0.185CC..Hα-helixtrans-60-45.4175.1-71.6170.3000112.8L492 I495 V496 L499 L506 L512 L513 N518 H519 I525 F526L492-L516 HydrophobicContact CD1-CD2 3.69Å; L492-L516 HydrophobicContact CD1-CG 4.3Å; I495-L516 HydrophobicContact CG2-CD1 4.07Å; I495-L516 HydrophobicContact CG2-CD2 4.04Å; V496-L516 HydrophobicContact CG2-CD2 3.86Å; L499-L516 HydrophobicContact CD1-CD1 4.11Å; L499-L516 HydrophobicContact CD1-CD2 4.32Å; L506-L516 HydrophobicContact CD1-CD1 4.44Å; L506-L516 HydrophobicContact CD2-CD1 3.99Å; L512-L516 PolarHBondContact O-N 2.98Å; L513-L516 WeakPolarHBondContact O-CB 3.31Å; L513-L516 PolarHBondContact O-N 3.48Å; L513-L516 VanDerWaalsContact O-N 3.08Å; L516-N518 VanDerWaalsContact C-N 3.29Å; L516-N518 PolarHBondContact O-N 3.17Å; L516-H519 CarbonylContact O-C 3.26Å; L516-H519 PolarHBondContact O-N 2.63Å; L516-H519 VanDerWaalsContact O-N 3.14Å; L516-I525 HydrophobicContact CB-CD1 4.41Å; L516-I525 HydrophobicContact CD2-CD1 4.22Å; L516-F526 HydrophobicContact CB-CE2 3.97Å; L516-F526 HydrophobicContact CB-CZ 4.05Å
517L88.5Confident85Confident6 Ų633.9 Ų33.93%0.03120%0.196CC..Hα-helixtrans-62.1-35.4179.1-66.1-177000112.1L513 N520 F526 L553 M560L513-L517 HydrophobicContact CD1-CD1 4.47Å; L513-L517 HydrophobicContact CD1-CD2 4.14Å; L513-L517 HydrophobicContact CD1-CG 4.03Å; L513-L517 HydrophobicContact CG-CD1 4.14Å; L513-L517 HydrophobicContact CG-CG 4.14Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.44Å; L513-L517 PolarHBondContact O-N 2.87Å; L517-N520 WeakPolarHBondContact O-CB 3.11Å; L517-F526 HydrophobicContact CD2-CD2 3.88Å; L517-F526 HydrophobicContact CD2-CE2 3.67Å; L517-F526 HydrophobicContact CD2-CG 4.42Å; L517-F526 HydrophobicContact CD2-CZ 4.01Å; L517-L553 HydrophobicContact CD1-CD1 3.74Å; L517-M560 HydrophobicContact CB-SD 4.28Å; L517-M560 HydrophobicContact CD1-SD 4.34Å; L517-M560 HydrophobicContact CD2-CE 3.73Å; L517-M560 HydrophobicContact CD2-SD 3.73Å; L517-M560 HydrophobicContact CG-SD 4.32Å
518N85.1Confident84.4Confident99 Ų9936 Ų3653%0.52921%0.214SC..Hα-helixtrans-78.9-23.6176-68.6-34.7000113.1L514 Q515 L516 N520 R556L514-N518 WeakPolarHBondContact O-CB 3.19Å; L514-N518 VanDerWaalsContact O-CG 3.23Å; L514-N518 PolarHBondContact O-N 3.2Å; L514-N518 VanDerWaalsContact O-N 3.11Å; L514-N518 PolarHBondContact O-ND2 3.43Å; Q515-N518 PolarHBondContact O-N 2.9Å; L516-N518 VanDerWaalsContact C-N 3.29Å; L516-N518 PolarHBondContact O-N 3.17Å; N518-N520 VanDerWaalsContact C-N 3.29Å; N518-N520 PolarHBondContact O-N 3.2Å; N518-R556 PolarHBondContact OD1-NH2 3.09Å
519H78.9Confident83.9Confident104 Ų10440 Ų4048%0.48123%0.232SC..THydrogen-bonded Turntrans-90.430172.7-78.7-76.9000113.4Q515 L516 P521Q515-H519 PolarHBondContact O-CD2 2.84Å; Q515-H519 VanDerWaalsContact O-CD2 3.24Å; Q515-H519 PolarHBondContact O-N 2.76Å; L516-H519 CarbonylContact O-C 3.26Å; L516-H519 PolarHBondContact O-N 2.63Å; L516-H519 VanDerWaalsContact O-N 3.14Å; H519-P521 WeakPolarHBondContact O-CD 3.31Å
520N71.9Confident83.7Confident21 Ų2139.9 Ų39.911%0.11223%0.232CC..  trans-119.779-178-176.641.1000111.3L517 N518 V522 G523 S524 I525 F526L517-N520 WeakPolarHBondContact O-CB 3.11Å; N518-N520 VanDerWaalsContact C-N 3.29Å; N518-N520 PolarHBondContact O-N 3.2Å; N520-V522 PolarHBondContact O-N 2.79Å; N520-G523 VanDerWaalsContact OD1-C 3.31Å; N520-G523 WeakPolarHBondContact OD1-CA 3.45Å; N520-G523 PolarHBondContact OD1-N 3Å; N520-S524 PolarHBondContact OD1-N 3.1Å; N520-S524 PolarHBondContact OD1-OG 2.76Å; N520-I525 HydrophobicContact CB-CD1 4.3Å; N520-I525 HydrophobicContact CB-CG1 4Å; N520-I525 WeakPolarHBondContact OD1-CG1 3.27Å; N520-I525 PolarHBondContact OD1-N 2.89Å; N520-F526 HydrophobicContact CB-CD2 4.39Å
521P58.9Low83.6Confident114 Ų11439.8 Ų39.874%0.7423%0.232SC*.THydrogen-bonded Turntrans-65.6-39.5-164.3-22.934.8000114.3H519H519-P521 WeakPolarHBondContact O-CD 3.31Å
522V55.9Low83.7Confident133 Ų13341.9 Ų41.981%0.80624%0.239SC*.THydrogen-bonded Turntrans-145.566.8175.7-168.80000109.6N520 S524N520-V522 PolarHBondContact O-N 2.79Å; V522-S524 PolarHBondContact O-N 2.88Å
523G63.5Low83.8Confident22 Ų2242.1 Ų42.123%0.22724%0.241CC..SBendtrans55.332.2172.700000114.8R446 N520 F526R446-G523 PolarHBondContact NE-O 2.96Å; R446-G523 PolarHBondContact NH2-O 3.03Å; N520-G523 VanDerWaalsContact OD1-C 3.31Å; N520-G523 WeakPolarHBondContact OD1-CA 3.45Å; N520-G523 PolarHBondContact OD1-N 3Å; G523-F526 CarbonylContact C-O 3.56Å
524S76.7Confident83.8Confident48 Ų4842.1 Ų42.134%0.33624%0.241SC..SBendtrans-81.6-19.9-17051.90000114.3N520 V522N520-S524 PolarHBondContact OD1-N 3.1Å; N520-S524 PolarHBondContact OD1-OG 2.76Å; V522-S524 PolarHBondContact O-N 2.88Å
525I87.4Confident84.1Confident1 Ų141.5 Ų41.51%0.00524%0.238CC..SBendtrans-127.6-4.9177.852.7165.1000113.5G447 V496 L499 K500 L516 N520G447-I525 WeakPolarHBondContact CA-O 3.07Å; V496-I525 HydrophobicContact CG1-CG2 4.11Å; V496-I525 HydrophobicContact CG2-CD1 4.28Å; L499-I525 HydrophobicContact CB-CB 3.97Å; L499-I525 HydrophobicContact CB-CG2 4.09Å; K500-I525 HydrophobicContact CG-CG2 4.35Å; L516-I525 HydrophobicContact CB-CD1 4.41Å; L516-I525 HydrophobicContact CD2-CD1 4.22Å; N520-I525 HydrophobicContact CB-CD1 4.3Å; N520-I525 HydrophobicContact CB-CG1 4Å; N520-I525 WeakPolarHBondContact OD1-CG1 3.27Å; N520-I525 PolarHBondContact OD1-N 2.89Å
526F87.8Confident84.4Confident7 Ų739.4 Ų39.43%0.03123%0.228CC..  trans-132.7123.3172.8-65.4-75.9000109.5P448 I451 L499 L506 L513 L516 L517 N520 G523 M560 F561P448-F526 HydrophobicContact CG-CD1 4.13Å; P448-F526 HydrophobicContact CG-CE1 4Å; I451-F526 HydrophobicContact CD1-CD1 3.96Å; I451-F526 HydrophobicContact CD1-CE1 3.75Å; I451-F526 HydrophobicContact CG1-CE1 4.41Å; L499-F526 HydrophobicContact CD1-CZ 4.49Å; L506-F526 HydrophobicContact CD2-CE1 3.85Å; L506-F526 HydrophobicContact CD2-CZ 3.97Å; L513-F526 HydrophobicContact CD1-CE1 4.43Å; L513-F526 HydrophobicContact CD1-CZ 4.01Å; L516-F526 HydrophobicContact CB-CE2 3.97Å; L516-F526 HydrophobicContact CB-CZ 4.05Å; L517-F526 HydrophobicContact CD2-CD2 3.88Å; L517-F526 HydrophobicContact CD2-CE2 3.67Å; L517-F526 HydrophobicContact CD2-CG 4.42Å; L517-F526 HydrophobicContact CD2-CZ 4.01Å; N520-F526 HydrophobicContact CB-CD2 4.39Å; G523-F526 CarbonylContact C-O 3.56Å; F526-M560 HydrophobicContact CB-CE 4.44Å; F526-F561 HydrophobicContact CD1-CZ 4.43Å
527D87.9Confident84.6Confident44 Ų4439.5 Ų39.524%0.23523%0.228CC..  trans-104114.6170.1171.4-0.7000108.7R441 R446 Q529 A530 V531R441-D527 IonicContact NH2-OD2 2.89Å; R446-D527 HydrophobicContact CG-CB 4.41Å; D527-Q529 PolarHBondContact O-N 2.93Å; D527-Q529 PolarHBondContact OD1-N 3.5Å; D527-A530 HydrophobicContact CB-CB 3.74Å; D527-A530 PolarHBondContact O-N 3.11Å; D527-A530 PolarHBondContact OD1-N 2.93Å; D527-V531 PolarHBondContact O-N 2.99Å; D527-V531 VanDerWaalsContact O-N 3.17Å
528A85.8Confident84.9Confident44 Ų4439.9 Ų39.936%0.36423%0.23SC..THydrogen-bonded Turntrans-66.1-18.4-17600000114.4M560A528-M560 WeakPolarHBondContact CB-O 3.44Å
529Q88.1Confident85.4Confident85 Ų8535.2 Ų35.240%0.39721%0.205SC..THydrogen-bonded Turntrans-94.9-15.6173.2-62.9-60.6-60.200112.3D527 K532D527-Q529 PolarHBondContact O-N 2.93Å; D527-Q529 PolarHBondContact OD1-N 3.5Å; Q529-K532 PolarHBondContact O-NZ 2.95Å
530A90.2Very high85.9Confident8 Ų831 Ų317%0.06619%0.187CC..THydrogen-bonded Turntrans-83.3-37.3175.200000113.5R441 D527 K532R441-A530 VanDerWaalsContact CZ-CB 3.45Å; D527-A530 HydrophobicContact CB-CB 3.74Å; D527-A530 PolarHBondContact O-N 3.11Å; D527-A530 PolarHBondContact OD1-N 2.93Å; A530-K532 WeakPolarHBondContact O-CG 3.45Å; A530-K532 PolarHBondContact O-N 3.18Å
531V93.4Very high86.8Confident2 Ų230.2 Ų30.21%0.01218%0.182CC..  trans-68.2106.8176.8178.90000109.4P448 T449 I451 D527 I534 F561P448-V531 HydrophobicContact CG-CG2 4.42Å; P448-V531 WeakPolarHBondContact O-CG2 3.46Å; T449-V531 WeakPolarHBondContact O-CA 3.3Å; I451-V531 HydrophobicContact CD1-CG1 4.27Å; I451-V531 HydrophobicContact CD1-CG2 4.2Å; I451-V531 HydrophobicContact CG1-CG1 4.26Å; I451-V531 HydrophobicContact CG1-CG2 4.39Å; D527-V531 PolarHBondContact O-N 2.99Å; D527-V531 VanDerWaalsContact O-N 3.17Å; V531-I534 HydrophobicContact CG1-CD1 4.24Å; V531-I534 HydrophobicContact CG1-CG1 3.85Å; V531-F561 HydrophobicContact CB-CD1 3.94Å; V531-F561 HydrophobicContact CB-CE1 3.85Å; V531-F561 HydrophobicContact CG1-CD1 4.16Å; V531-F561 HydrophobicContact CG1-CE1 4.16Å; V531-F561 HydrophobicContact CG2-CD1 4.28Å; V531-F561 HydrophobicContact CG2-CE1 3.66Å; V531-F561 HydrophobicContact CG2-CZ 4.42Å
532K94.2Very high88.3Confident78 Ų7824.9 Ų24.934%0.33915%0.148SC..  trans-94-18.1179.4-56.4-48.3-170.1-175.30113.4T449 Q529 A530 C568 Q569T449-K532 HydrophobicContact CG2-CG 4.26Å; T449-K532 PolarHBondContact O-N 3.37Å; Q529-K532 PolarHBondContact O-NZ 2.95Å; A530-K532 WeakPolarHBondContact O-CG 3.45Å; A530-K532 PolarHBondContact O-N 3.18Å; K532-C568 CarbonylContact O-C 3.59Å; K532-C568 WeakPolarHBondContact O-CA 3.26Å; K532-Q569 PolarHBondContact O-N 3Å
533C95.1Very high89.9Confident9 Ų919.8 Ų19.86%0.06112%0.117CC..EExtended strand (participates in β ladder)trans-149.2135.9-173.5179.80000111.6C450 I451 Q569 L571C450-C533 CarbonylContact C-O 3.29Å; C450-C533 VanDerWaalsContact CA-O 3.24Å; C450-C533 WeakPolarHBondContact CA-O 3.32Å; C450-C533 HydrophobicContact CB-CB 4.07Å; C450-C533 PolarHBondContact SG-O 2.85Å; C450-C533 VanDerWaalsContact SG-SG 3.66Å; I451-C533 PolarHBondContact N-O 3.31Å; C533-Q569 CarbonylContact C-O 3.6Å; C533-Q569 WeakPolarHBondContact CA-O 3.24Å; C533-L571 WeakPolarHBondContact SG-CD1 3.34Å
534I96.9Very high90.9Very high1 Ų125.7 Ų25.71%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-123.1128.4168.1-63.7171.5000108.2I451 V531 L536 L557 F561 L563 Q569 L570 L571I451-I534 HydrophobicContact CB-CG1 4.31Å; I451-I534 CarbonylContact O-C 3.54Å; I451-I534 VanDerWaalsContact O-CA 3.31Å; I451-I534 WeakPolarHBondContact O-CA 3.48Å; V531-I534 HydrophobicContact CG1-CD1 4.24Å; V531-I534 HydrophobicContact CG1-CG1 3.85Å; I534-L536 HydrophobicContact CG2-CD2 4.23Å; I534-L557 HydrophobicContact CD1-CD2 4.2Å; I534-L557 HydrophobicContact CG2-CD1 4.24Å; I534-F561 HydrophobicContact CD1-CB 4.14Å; I534-F561 HydrophobicContact CD1-CD1 4.48Å; I534-F561 HydrophobicContact CD1-CD2 3.53Å; I534-F561 HydrophobicContact CD1-CE2 4.04Å; I534-F561 HydrophobicContact CD1-CG 3.79Å; I534-L563 HydrophobicContact CD1-CD2 4.12Å; I534-Q569 PolarHBondContact N-O 3.02Å; I534-L570 HydrophobicContact CB-CD1 3.95Å; I534-L570 HydrophobicContact CG2-CD1 3.86Å; I534-L570 WeakPolarHBondContact O-CA 3.15Å; I534-L571 PolarHBondContact O-N 3.21Å
535A97.8Very high91.2Very high0 Ų025.9 Ų25.90%013%0.131CC..EExtended strand (participates in β ladder)trans-116.8128.3178.300000111Y426 I451 F452 V453 L571Y426-A535 HydrophobicContact CE2-CB 4.13Å; I451-A535 PolarHBondContact O-N 3.02Å; F452-A535 HydrophobicContact CD1-CB 4.42Å; F452-A535 HydrophobicContact CD2-CB 3.56Å; F452-A535 HydrophobicContact CE2-CB 3.75Å; F452-A535 HydrophobicContact CG-CB 3.93Å; F452-A535 HydrophobicContact CZ-CB 4.24Å; V453-A535 PolarHBondContact N-O 3.4Å; A535-L571 CarbonylContact C-O 3.59Å; A535-L571 WeakPolarHBondContact CA-O 3.46Å; A535-L571 HydrophobicContact CB-CB 4.24Å; A535-L571 HydrophobicContact CB-CD1 4.46Å
536L97.6Very high91.2Very high2 Ų227.2 Ų27.21%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-11786.1176.9-55.3-179.5000108.7V453 I534 L539 M542 L554 L557 L570 L571 V572 S573 I586V453-L536 HydrophobicContact CB-CD2 3.87Å; V453-L536 HydrophobicContact CG2-CD2 3.86Å; I534-L536 HydrophobicContact CG2-CD2 4.23Å; L536-L539 HydrophobicContact CD1-CD1 4.48Å; L536-M542 HydrophobicContact CB-CE 4.07Å; L536-L554 HydrophobicContact CD1-CD2 3.72Å; L536-L557 HydrophobicContact CD1-CD1 4.41Å; L536-L570 HydrophobicContact CD1-CD1 4.32Å; L536-L570 HydrophobicContact CG-CD1 4.38Å; L536-L571 PolarHBondContact N-O 2.77Å; L536-V572 HydrophobicContact CB-CG2 4.46Å; L536-V572 HydrophobicContact CD1-CG2 4.39Å; L536-S573 PolarHBondContact O-N 2.86Å; L536-I586 HydrophobicContact CD1-CD1 4.47Å
537D96.3Very high91.2Very high1 Ų128.3 Ų28.31%0.00515%0.146CC..THydrogen-bonded Turntrans-84131.4-176.3-160.719.5000112.3T423 Y426 F452 V453 P455 M542 S573T423-D537 WeakPolarHBondContact CB-OD2 3.2Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.02Å; T423-D537 PolarHBondContact OG1-OD2 2.88Å; Y426-D537 VanDerWaalsContact OH-CB 3.27Å; Y426-D537 WeakPolarHBondContact OH-CB 3.39Å; Y426-D537 PolarHBondContact OH-OD1 3.37Å; F452-D537 HydrophobicContact CE1-CB 3.7Å; F452-D537 HydrophobicContact CZ-CB 4Å; V453-D537 PolarHBondContact O-N 3.27Å; P455-D537 WeakPolarHBondContact CD-O 3.44Å; D537-M542 WeakPolarHBondContact O-CE 3.37Å; D537-S573 WeakPolarHBondContact OD1-CB 3.34Å; D537-S573 PolarHBondContact OD1-OG 3.48Å
538N93.6Very high91Very high14 Ų1428 Ų288%0.07514%0.144CC..THydrogen-bonded Turntrans51.951-173.4-59.3-55.2000113.6K422 P455 Q459 N540 D541 M542 S573K422-N538 WeakPolarHBondContact CE-OD1 3.32Å; P455-N538 HydrophobicContact CG-CB 3.87Å; Q459-N538 PolarHBondContact OE1-ND2 3.48Å; N538-N540 PolarHBondContact O-N 3.28Å; N538-D541 HydrophobicContact CB-CB 4.2Å; N538-D541 WeakPolarHBondContact O-CA 3.46Å; N538-D541 WeakPolarHBondContact O-CB 2.98Å; N538-D541 PolarHBondContact O-N 2.95Å; N538-M542 PolarHBondContact O-N 3.46Å; N538-S573 CarbonylContact C-O 3.54Å; N538-S573 WeakPolarHBondContact CA-O 3.34Å; N538-S573 PolarHBondContact N-O 2.96Å; N538-S573 PolarHBondContact N-OG 3.26Å
539L94.8Very high91.2Very high1 Ų127.9 Ų27.91%0.00514%0.138CC..Hα-helixtrans-48.1-36.6179.4179.264.2000113.9L536 D541 M542 V543 T550 V572 S573 L581 M582 I586L536-L539 HydrophobicContact CD1-CD1 4.48Å; L539-D541 VanDerWaalsContact C-N 3.31Å; L539-D541 PolarHBondContact O-N 3.04Å; L539-M542 HydrophobicContact CD1-SD 4.04Å; L539-M542 WeakPolarHBondContact O-CB 3.14Å; L539-M542 PolarHBondContact O-N 2.92Å; L539-M542 VanDerWaalsContact O-N 3.16Å; L539-V543 HydrophobicContact CD1-CG2 4.33Å; L539-V543 WeakPolarHBondContact O-CG2 3.16Å; L539-V543 PolarHBondContact O-N 2.8Å; L539-T550 HydrophobicContact CD1-CG2 3.85Å; L539-V572 HydrophobicContact CB-CG1 4.13Å; L539-V572 HydrophobicContact CD2-CG1 3.75Å; L539-S573 PolarHBondContact N-O 3.4Å; L539-L581 HydrophobicContact CD2-CD2 3.94Å; L539-L581 HydrophobicContact CD2-CG 4.4Å; L539-L581 HydrophobicContact CG-CD2 4.14Å; L539-M582 HydrophobicContact CD2-CE 4.4Å; L539-I586 HydrophobicContact CD2-CD1 3.57Å; L539-I586 HydrophobicContact CD2-CG1 3.78Å
540N90.7Very high91.4Very high17 Ų1723.9 Ų23.99%0.09112%0.119CC..Hα-helixtrans-65.8-31.4176.2-52.1101.9000113.4N538 R544 G574 R575 I576N538-N540 PolarHBondContact O-N 3.28Å; N540-R544 WeakPolarHBondContact O-CB 3.24Å; N540-R544 PolarHBondContact O-N 2.75Å; N540-G574 WeakPolarHBondContact OD1-CA 3.43Å; N540-R575 PolarHBondContact OD1-N 3.41Å; N540-I576 PolarHBondContact ND2-O 3.01Å; N540-I576 PolarHBondContact OD1-N 3.03Å; N540-I576 PolarHBondContact OD1-O 3.15Å
541D89.6Confident91.5Very high3 Ų325.9 Ų25.92%0.01613%0.127CC..Hα-helixtrans-71-35.6173.2-73.6-42.7000110.2P455 N538 L539 R544 V545 R575P455-D541 HydrophobicContact CB-CB 3.71Å; P455-D541 HydrophobicContact CG-CB 3.49Å; P455-D541 VanDerWaalsContact CG-CB 3.49Å; N538-D541 HydrophobicContact CB-CB 4.2Å; N538-D541 WeakPolarHBondContact O-CA 3.46Å; N538-D541 WeakPolarHBondContact O-CB 2.98Å; N538-D541 PolarHBondContact O-N 2.95Å; L539-D541 VanDerWaalsContact C-N 3.31Å; L539-D541 PolarHBondContact O-N 3.04Å; D541-R544 PolarHBondContact O-N 3Å; D541-R544 IonicContact OD1-CZ 2.98Å; D541-R544 IonicContact OD1-NH1 2.81Å; D541-R544 PolarHBondContact OD1-NH1 3.22Å; D541-R544 IonicContact OD1-NH2 2.78Å; D541-R544 PolarHBondContact OD1-NH2 3.3Å; D541-V545 WeakPolarHBondContact O-CG2 3.47Å; D541-V545 PolarHBondContact O-N 3.14Å; D541-R575 IonicContact OD1-CZ 3.34Å; D541-R575 IonicContact OD1-NE 3.73Å; D541-R575 PolarHBondContact OD1-NE 3.28Å; D541-R575 IonicContact OD1-NH2 2.77Å; D541-R575 PolarHBondContact OD1-NH2 3.03Å; D541-R575 IonicContact OD2-CZ 3.43Å; D541-R575 VanDerWaalsContact OD2-CZ 3.23Å; D541-R575 IonicContact OD2-NE 2.68Å; D541-R575 PolarHBondContact OD2-NE 3.15Å; D541-R575 IonicContact OD2-NH2 3.15Å; D541-R575 PolarHBondContact OD2-NH2 3.23Å
542M91.8Very high91.4Very high3 Ų329.9 Ų29.92%0.01514%0.144CC..Hα-helixtrans-61-51.7172-52.2-177.2-165.100111.3V453 P455 V510 L536 D537 N538 L539 R544 V545 L546 T550V453-M542 HydrophobicContact CB-CE 4.05Å; V453-M542 HydrophobicContact CG1-CE 3.93Å; V453-M542 HydrophobicContact CG1-SD 3.99Å; V453-M542 WeakPolarHBondContact O-CE 3.43Å; P455-M542 HydrophobicContact CB-CG 4.23Å; P455-M542 HydrophobicContact CG-CG 4.07Å; V510-M542 HydrophobicContact CG2-CB 3.96Å; V510-M542 HydrophobicContact CG2-CG 4.01Å; V510-M542 HydrophobicContact CG2-SD 3.53Å; V510-M542 VanDerWaalsContact CG2-SD 3.53Å; L536-M542 HydrophobicContact CB-CE 4.07Å; D537-M542 WeakPolarHBondContact O-CE 3.37Å; N538-M542 PolarHBondContact O-N 3.46Å; L539-M542 HydrophobicContact CD1-SD 4.04Å; L539-M542 WeakPolarHBondContact O-CB 3.14Å; L539-M542 PolarHBondContact O-N 2.92Å; L539-M542 VanDerWaalsContact O-N 3.16Å; M542-R544 PolarHBondContact O-N 3.44Å; M542-V545 PolarHBondContact O-N 3.23Å; M542-V545 VanDerWaalsContact O-N 3.14Å; M542-L546 CarbonylContact O-C 3.6Å; M542-L546 PolarHBondContact O-N 3.47Å; M542-T550 HydrophobicContact CB-CG2 4.13Å; M542-T550 PolarHBondContact O-OG1 2.56Å
543V89.4Confident91.4Very high25 Ų2526.2 Ų26.215%0.15213%0.129CC..Hα-helixtrans-66-22.8179.8175.50000112.4L539 P547 T550 L581L539-V543 HydrophobicContact CD1-CG2 4.33Å; L539-V543 WeakPolarHBondContact O-CG2 3.16Å; L539-V543 PolarHBondContact O-N 2.8Å; V543-P547 WeakPolarHBondContact O-CA 3.27Å; V543-P547 VanDerWaalsContact O-CB 3.29Å; V543-P547 WeakPolarHBondContact O-CB 3.11Å; V543-P547 VanDerWaalsContact O-CD 3.27Å; V543-P547 WeakPolarHBondContact O-CD 3.29Å; V543-T550 HydrophobicContact CG2-CG2 3.6Å; V543-L581 HydrophobicContact CG2-CD1 4.35Å; V543-L581 HydrophobicContact CG2-CD2 3.85Å
544R83.4Confident91.3Very high147 Ų14726.1 Ų26.156%0.55513%0.127SC*.Hα-helixtrans-74.6-39.2171.6-173.3179.964.5-104.2-7.5112.7N540 D541 M542N540-R544 WeakPolarHBondContact O-CB 3.24Å; N540-R544 PolarHBondContact O-N 2.75Å; D541-R544 PolarHBondContact O-N 3Å; D541-R544 IonicContact OD1-CZ 2.98Å; D541-R544 IonicContact OD1-NH1 2.81Å; D541-R544 PolarHBondContact OD1-NH1 3.22Å; D541-R544 IonicContact OD1-NH2 2.78Å; D541-R544 PolarHBondContact OD1-NH2 3.3Å; M542-R544 PolarHBondContact O-N 3.44Å
545V84.3Confident91Very high51 Ų5131.2 Ų31.231%0.30915%0.151SC..Hα-helixtrans-89.5-39.5-173.4-177.60000112D541 M542D541-V545 WeakPolarHBondContact O-CG2 3.47Å; D541-V545 PolarHBondContact O-N 3.14Å; M542-V545 PolarHBondContact O-N 3.23Å; M542-V545 VanDerWaalsContact O-N 3.14Å
546L87.3Confident90.7Very high29 Ų2934.9 Ų34.915%0.15217%0.165CC..  trans-134.859.5-176.8-61.3175.3000111.4V510 D511 M542 N548 D549 T550 D967V510-L546 HydrophobicContact CB-CD1 4.32Å; D511-L546 HydrophobicContact CB-CD1 3.88Å; M542-L546 CarbonylContact O-C 3.6Å; M542-L546 PolarHBondContact O-N 3.47Å; L546-N548 PolarHBondContact O-N 3.37Å; L546-D549 HydrophobicContact CB-CB 4.45Å; L546-D549 PolarHBondContact O-N 2.91Å; L546-T550 VanDerWaalsContact O-CB 3.32Å; L546-T550 WeakPolarHBondContact O-CB 3.42Å; L546-T550 PolarHBondContact O-N 2.78Å; L546-T550 PolarHBondContact O-OG1 3.42Å; L546-D967 HydrophobicContact CD2-CB 4.07Å
547P86.6Confident90.4Very high30 Ų3034.9 Ų34.920%0.19517%0.165CC..Hα-helixtrans-50.6-50.6-177.913.9-27.3000113.9V543 T550 M551 P965 D967V543-P547 WeakPolarHBondContact O-CA 3.27Å; V543-P547 VanDerWaalsContact O-CB 3.29Å; V543-P547 WeakPolarHBondContact O-CB 3.11Å; V543-P547 VanDerWaalsContact O-CD 3.27Å; V543-P547 WeakPolarHBondContact O-CD 3.29Å; P547-T550 PolarHBondContact O-N 3.14Å; P547-M551 WeakPolarHBondContact O-CG 3.4Å; P547-M551 PolarHBondContact O-N 2.63Å; P547-P965 HydrophobicContact CG-CB 4.35Å; P547-P965 HydrophobicContact CG-CG 4.02Å; P547-D967 VanDerWaalsContact CD-OD1 3.26Å; P547-D967 WeakPolarHBondContact CD-OD1 3.45Å; P547-D967 WeakPolarHBondContact CD-OD2 3.44Å; P547-D967 WeakPolarHBondContact CG-OD1 3.45Å; P547-D967 WeakPolarHBondContact CG-OD2 3.35Å
548N85.2Confident90.1Very high38 Ų3837.9 Ų37.920%0.20319%0.185CC..Hα-helixtrans-68.7-42.7-174.1-68.4-89.3000112.4L546 T550 M551 K552 D967 F1021L546-N548 PolarHBondContact O-N 3.37Å; N548-T550 VanDerWaalsContact C-N 3.34Å; N548-M551 PolarHBondContact O-N 3.42Å; N548-K552 VanDerWaalsContact O-CG 3.31Å; N548-K552 WeakPolarHBondContact O-CG 3.48Å; N548-K552 PolarHBondContact O-N 2.98Å; N548-D967 VanDerWaalsContact CB-OD2 3.24Å; N548-D967 WeakPolarHBondContact CB-OD2 3.25Å; N548-D967 PolarHBondContact N-OD2 3.23Å; N548-D967 PolarHBondContact ND2-OD2 3.15Å; N548-F1021 WeakPolarHBondContact ND2-CE1 3.47Å
549D89.8Confident89.9Confident42 Ų4243 Ų4323%0.22521%0.208CC..Hα-helixtrans-73.5-29.3179.4-70.3-19.4000111.5V510 L514 L546 K552 L553V510-D549 HydrophobicContact CG1-CB 4.19Å; L514-D549 HydrophobicContact CD1-CB 3.79Å; L546-D549 HydrophobicContact CB-CB 4.45Å; L546-D549 PolarHBondContact O-N 2.91Å; D549-K552 PolarHBondContact O-N 2.9Å; D549-K552 IonicContact OD1-NZ 2.73Å; D549-K552 PolarHBondContact OD1-NZ 2.94Å; D549-L553 WeakPolarHBondContact O-CB 3.41Å; D549-L553 PolarHBondContact O-N 2.73Å
550T92.4Very high89.4Confident1 Ų144.9 Ų44.91%0.00622%0.218CC..Hα-helixtrans-66.6-42.4170.5-50.90000111.1L539 M542 V543 L546 P547 N548 L553 L554L539-T550 HydrophobicContact CD1-CG2 3.85Å; M542-T550 HydrophobicContact CB-CG2 4.13Å; M542-T550 PolarHBondContact O-OG1 2.56Å; V543-T550 HydrophobicContact CG2-CG2 3.6Å; L546-T550 VanDerWaalsContact O-CB 3.32Å; L546-T550 WeakPolarHBondContact O-CB 3.42Å; L546-T550 PolarHBondContact O-N 2.78Å; L546-T550 PolarHBondContact O-OG1 3.42Å; P547-T550 PolarHBondContact O-N 3.14Å; N548-T550 VanDerWaalsContact C-N 3.34Å; T550-L553 PolarHBondContact O-N 3.2Å; T550-L554 WeakPolarHBondContact O-CG 3.45Å; T550-L554 PolarHBondContact O-N 3.15Å
551M91.4Very high89.4Confident49 Ų4944.5 Ų44.524%0.24122%0.215CC..Hα-helixtrans-63.9-42175.7-66-41.2-57.200112.5P547 N548 L553 L554 Q555 L581 H585P547-M551 WeakPolarHBondContact O-CG 3.4Å; P547-M551 PolarHBondContact O-N 2.63Å; N548-M551 PolarHBondContact O-N 3.42Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 2.73Å; M551-L554 HydrophobicContact CE-CD1 4.38Å; M551-L554 PolarHBondContact O-N 3.22Å; M551-L554 HydrophobicContact SD-CD1 4.41Å; M551-Q555 WeakPolarHBondContact O-CG 3.47Å; M551-Q555 PolarHBondContact O-N 3.34Å; M551-L581 HydrophobicContact CE-CD1 4.14Å; M551-L581 HydrophobicContact SD-CD1 3.72Å; M551-H585 HydrophobicContact CE-CB 4.14Å; M551-H585 WeakPolarHBondContact CE-CD2 3.39Å; M551-H585 VanDerWaalsContact CE-CG 3.5Å; M551-H585 WeakPolarHBondContact CE-NE2 3.44Å
552K91.7Very high89.3Confident86 Ų8649 Ų4937%0.37424%0.236SC..Hα-helixtrans-60-43.2173.2-68.5166.9-154.1162.70111.7L514 N548 D549 Q555 R556L514-K552 HydrophobicContact CD1-CB 3.95Å; L514-K552 HydrophobicContact CD1-CD 4.29Å; L514-K552 HydrophobicContact CD2-CB 4.39Å; N548-K552 VanDerWaalsContact O-CG 3.31Å; N548-K552 WeakPolarHBondContact O-CG 3.48Å; N548-K552 PolarHBondContact O-N 2.98Å; D549-K552 PolarHBondContact O-N 2.9Å; D549-K552 IonicContact OD1-NZ 2.73Å; D549-K552 PolarHBondContact OD1-NZ 2.94Å; K552-Q555 PolarHBondContact O-N 3.13Å; K552-R556 WeakPolarHBondContact O-CB 3.4Å; K552-R556 WeakPolarHBondContact O-CG 3.15Å; K552-R556 PolarHBondContact O-N 3.11Å
553L93.3Very high89.1Confident2 Ų249.6 Ų49.61%0.0124%0.239CC..Hα-helixtrans-59.1-49.3176.7178.359.7000110.9V510 L513 L514 L517 D549 T550 M551 Q555 R556 L557V510-L553 HydrophobicContact CB-CD2 4.36Å; V510-L553 HydrophobicContact CG1-CB 4.26Å; V510-L553 HydrophobicContact CG1-CD2 4.04Å; V510-L553 HydrophobicContact CG2-CD2 4.14Å; L513-L553 HydrophobicContact CD2-CD1 3.72Å; L513-L553 HydrophobicContact CD2-CD2 4.09Å; L513-L553 HydrophobicContact CG-CD1 4.08Å; L514-L553 HydrophobicContact CD2-CB 4.07Å; L514-L553 HydrophobicContact CD2-CD1 4.28Å; L517-L553 HydrophobicContact CD1-CD1 3.74Å; D549-L553 WeakPolarHBondContact O-CB 3.41Å; D549-L553 PolarHBondContact O-N 2.73Å; T550-L553 PolarHBondContact O-N 3.2Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 2.73Å; L553-Q555 VanDerWaalsContact C-N 3.27Å; L553-Q555 PolarHBondContact O-N 2.83Å; L553-R556 PolarHBondContact O-N 3.09Å; L553-L557 HydrophobicContact CD1-CD2 3.88Å; L553-L557 HydrophobicContact CD1-CG 4.29Å; L553-L557 HydrophobicContact CG-CD2 4.48Å; L553-L557 HydrophobicContact CG-CG 4.44Å; L553-L557 WeakPolarHBondContact O-CG 3.35Å; L553-L557 PolarHBondContact O-N 3.06Å
554L93.3Very high88.5Confident6 Ų651.4 Ų51.43%0.03125%0.25CS..Hα-helixtrans-61.7-32.7179.7-67.1178.4000113.3L536 T550 M551 L557 P558 L581 H585 I586L536-L554 HydrophobicContact CD1-CD2 3.72Å; T550-L554 WeakPolarHBondContact O-CG 3.45Å; T550-L554 PolarHBondContact O-N 3.15Å; M551-L554 HydrophobicContact CE-CD1 4.38Å; M551-L554 PolarHBondContact O-N 3.22Å; M551-L554 HydrophobicContact SD-CD1 4.41Å; L554-L557 HydrophobicContact CD2-CD1 4.42Å; L554-P558 WeakPolarHBondContact O-CD 3.17Å; L554-L581 HydrophobicContact CD1-CD1 3.64Å; L554-H585 HydrophobicContact CD1-CB 4.29Å; L554-I586 HydrophobicContact CD1-CD1 3.78Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.3Å
555Q91.8Very high87.9Confident109 Ų10947.5 Ų47.551%0.50924%0.238SC..Hα-helixtrans-68.9-39.2171.4-70.8168.5-22.500112.1M551 K552 L553 P558M551-Q555 WeakPolarHBondContact O-CG 3.47Å; M551-Q555 PolarHBondContact O-N 3.34Å; K552-Q555 PolarHBondContact O-N 3.13Å; L553-Q555 VanDerWaalsContact C-N 3.27Å; L553-Q555 PolarHBondContact O-N 2.83Å; Q555-P558 WeakPolarHBondContact O-CD 3.3Å; Q555-P558 WeakPolarHBondContact O-CG 3.43Å
556R90.4Very high87.4Confident77 Ų7751.4 Ų51.429%0.29126%0.258SS..Hα-helixtrans-76.8-25.9-177.3-68.8-74.7-107.81591.5114.3N518 K552 L553 E559 M560N518-R556 PolarHBondContact OD1-NH2 3.09Å; K552-R556 WeakPolarHBondContact O-CB 3.4Å; K552-R556 WeakPolarHBondContact O-CG 3.15Å; K552-R556 PolarHBondContact O-N 3.11Å; L553-R556 PolarHBondContact O-N 3.09Å; R556-E559 WeakPolarHBondContact CD-OE1 3.13Å; R556-E559 WeakPolarHBondContact CD-OE2 3.47Å; R556-E559 IonicContact CZ-OE2 3.14Å; R556-E559 IonicContact NE-OE2 2.65Å; R556-E559 IonicContact NH1-OE2 3.14Å; R556-E559 PolarHBondContact NH1-OE2 3.14Å; R556-E559 WeakPolarHBondContact O-CB 3.5Å; R556-E559 PolarHBondContact O-N 3.47Å; R556-M560 PolarHBondContact O-N 3.09Å
557L90.8Very high87.4Confident1 Ų154.3 Ų54.31%0.00527%0.269CS..Hα-helixtrans-57.6-51.8178.5-67.9-173000113.8I534 L536 L553 L554 E559 M560 F561 L563I534-L557 HydrophobicContact CD1-CD2 4.2Å; I534-L557 HydrophobicContact CG2-CD1 4.24Å; L536-L557 HydrophobicContact CD1-CD1 4.41Å; L553-L557 HydrophobicContact CD1-CD2 3.88Å; L553-L557 HydrophobicContact CD1-CG 4.29Å; L553-L557 HydrophobicContact CG-CD2 4.48Å; L553-L557 HydrophobicContact CG-CG 4.44Å; L553-L557 WeakPolarHBondContact O-CG 3.35Å; L553-L557 PolarHBondContact O-N 3.06Å; L554-L557 HydrophobicContact CD2-CD1 4.42Å; L557-E559 VanDerWaalsContact C-N 3.31Å; L557-E559 PolarHBondContact O-N 2.84Å; L557-M560 PolarHBondContact O-N 3.44Å; L557-M560 VanDerWaalsContact O-N 3.16Å; L557-F561 HydrophobicContact CD2-CD2 4.16Å; L557-F561 HydrophobicContact CD2-CE2 4.18Å; L557-F561 WeakPolarHBondContact O-CD2 3.47Å; L557-F561 PolarHBondContact O-N 2.77Å; L557-L563 HydrophobicContact CB-CD1 4.18Å
558P90.2Very high87.6Confident65 Ų6552.9 Ų52.942%0.42226%0.26SS..Hα-helixtrans-69.8-20.6177.727.3-36000114.6L554 Q555 M560 L589L554-P558 WeakPolarHBondContact O-CD 3.17Å; Q555-P558 WeakPolarHBondContact O-CD 3.3Å; Q555-P558 WeakPolarHBondContact O-CG 3.43Å; P558-M560 PolarHBondContact O-N 3.03Å; P558-L589 HydrophobicContact CB-CD2 3.98Å; P558-L589 HydrophobicContact CG-CD2 3.97Å
559E89.4Confident88Confident122 Ų12251.5 Ų51.557%0.5725%0.252SS*.Hα-helixtrans-64.9-29170.4-63.1175-160.900111.8R556 L557R556-E559 WeakPolarHBondContact CD-OE1 3.13Å; R556-E559 WeakPolarHBondContact CD-OE2 3.47Å; R556-E559 IonicContact CZ-OE2 3.14Å; R556-E559 IonicContact NE-OE2 2.65Å; R556-E559 IonicContact NH1-OE2 3.14Å; R556-E559 PolarHBondContact NH1-OE2 3.14Å; R556-E559 WeakPolarHBondContact O-CB 3.5Å; R556-E559 PolarHBondContact O-N 3.47Å; L557-E559 VanDerWaalsContact C-N 3.31Å; L557-E559 PolarHBondContact O-N 2.84Å
560M85.2Confident88.3Confident40 Ų4049.5 Ų49.520%0.19724%0.242CC..Hα-helixtrans-112.7-23-168.6-64.6-170.463.400114.5L517 F526 A528 R556 L557 P558L517-M560 HydrophobicContact CB-SD 4.28Å; L517-M560 HydrophobicContact CD1-SD 4.34Å; L517-M560 HydrophobicContact CD2-CE 3.73Å; L517-M560 HydrophobicContact CD2-SD 3.73Å; L517-M560 HydrophobicContact CG-SD 4.32Å; F526-M560 HydrophobicContact CB-CE 4.44Å; A528-M560 WeakPolarHBondContact CB-O 3.44Å; R556-M560 PolarHBondContact O-N 3.09Å; L557-M560 PolarHBondContact O-N 3.44Å; L557-M560 VanDerWaalsContact O-N 3.16Å; P558-M560 PolarHBondContact O-N 3.03Å
561F89.4Confident88.5Confident8 Ų849.5 Ų49.54%0.03524%0.241CC..SBendtrans-134.7138.3-171.3-54.6-69.3000112.5I451 F526 V531 I534 L557 L563I451-F561 HydrophobicContact CD1-CE1 4.39Å; I451-F561 HydrophobicContact CD1-CE2 4.19Å; I451-F561 HydrophobicContact CD1-CZ 3.72Å; F526-F561 HydrophobicContact CD1-CZ 4.43Å; V531-F561 HydrophobicContact CB-CD1 3.94Å; V531-F561 HydrophobicContact CB-CE1 3.85Å; V531-F561 HydrophobicContact CG1-CD1 4.16Å; V531-F561 HydrophobicContact CG1-CE1 4.16Å; V531-F561 HydrophobicContact CG2-CD1 4.28Å; V531-F561 HydrophobicContact CG2-CE1 3.66Å; V531-F561 HydrophobicContact CG2-CZ 4.42Å; I534-F561 HydrophobicContact CD1-CB 4.14Å; I534-F561 HydrophobicContact CD1-CD1 4.48Å; I534-F561 HydrophobicContact CD1-CD2 3.53Å; I534-F561 HydrophobicContact CD1-CE2 4.04Å; I534-F561 HydrophobicContact CD1-CG 3.79Å; L557-F561 HydrophobicContact CD2-CD2 4.16Å; L557-F561 HydrophobicContact CD2-CE2 4.18Å; L557-F561 WeakPolarHBondContact O-CD2 3.47Å; L557-F561 PolarHBondContact O-N 2.77Å; F561-L563 HydrophobicContact CB-CD2 4.01Å; F561-L563 HydrophobicContact CB-CG 4.41Å; F561-L563 PolarHBondContact O-N 2.93Å
562Q87.8Confident88.8Confident98 Ų9847.1 Ų47.146%0.45823%0.23SC..  trans-82.480.9178.8-70.5177.4-14.400110.7T564 K567 C568Q562-T564 VanDerWaalsContact C-N 3.29Å; Q562-T564 PolarHBondContact O-N 2.85Å; Q562-T564 PolarHBondContact O-OG1 3.32Å; Q562-K567 HydrophobicContact CB-CB 4.06Å; Q562-K567 HydrophobicContact CB-CG 4.3Å; Q562-K567 WeakPolarHBondContact O-CB 3.45Å; Q562-C568 PolarHBondContact O-N 3Å
563L87.4Confident89.1Confident15 Ų1543 Ų438%0.07921%0.212CC..  trans-72.475.9-175.5-56.5178000112.3I534 L557 F561 C568 L589I534-L563 HydrophobicContact CD1-CD2 4.12Å; L557-L563 HydrophobicContact CB-CD1 4.18Å; F561-L563 HydrophobicContact CB-CD2 4.01Å; F561-L563 HydrophobicContact CB-CG 4.41Å; F561-L563 PolarHBondContact O-N 2.93Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; L563-L589 HydrophobicContact CB-CB 4.46Å; L563-L589 HydrophobicContact CD1-CB 3.82Å; L563-L589 HydrophobicContact CD1-CD1 3.9Å; L563-L589 HydrophobicContact CD1-CD2 4.22Å; L563-L589 HydrophobicContact CD1-CG 4.2Å
564T78.5Confident89.1Confident64 Ų6443 Ų4339%0.39321%0.211SC..SBendtrans-147.5157.3-174.949.20000110.5Q562 N566 K567 C568Q562-T564 VanDerWaalsContact C-N 3.29Å; Q562-T564 PolarHBondContact O-N 2.85Å; Q562-T564 PolarHBondContact O-OG1 3.32Å; T564-N566 PolarHBondContact O-N 3.05Å; T564-K567 PolarHBondContact O-N 3.24Å; T564-K567 VanDerWaalsContact O-N 3.1Å; T564-K567 WeakPolarHBondContact OG1-CB 3.48Å; T564-C568 PolarHBondContact N-O 3.04Å; T564-C568 PolarHBondContact O-N 3.08Å
565Q70.1Confident89Confident64 Ų6446.2 Ų46.230%0.29922%0.223SC..THydrogen-bonded Turntrans-54.9138.8177.2-165.9-173.1-28.600110.6K410 K567K410-Q565 HydrophobicContact CG-CG 4.35Å; Q565-K567 PolarHBondContact O-N 3.14Å
566N74.4Confident89Confident134 Ų13442.5 Ų42.572%0.71721%0.207SC*.THydrogen-bonded Turntrans64.94.8-177-48.4-28.9000116T564T564-N566 PolarHBondContact O-N 3.05Å
567K86.1Confident89.1Confident89 Ų8938.9 Ų38.939%0.38719%0.193SC..THydrogen-bonded Turntrans-109.7-83.6171.3-72.7-62.7-161.1174.80111.5Q562 T564 Q565Q562-K567 HydrophobicContact CB-CB 4.06Å; Q562-K567 HydrophobicContact CB-CG 4.3Å; Q562-K567 WeakPolarHBondContact O-CB 3.45Å; T564-K567 PolarHBondContact O-N 3.24Å; T564-K567 VanDerWaalsContact O-N 3.1Å; T564-K567 WeakPolarHBondContact OG1-CB 3.48Å; Q565-K567 PolarHBondContact O-N 3.14Å
568C91.8Very high89Confident1 Ų139.5 Ų39.51%0.00720%0.196CC..  trans-126.6114.1173.7-178.20000109.9K532 Q562 L563 T564K532-C568 CarbonylContact O-C 3.59Å; K532-C568 WeakPolarHBondContact O-CA 3.26Å; Q562-C568 PolarHBondContact O-N 3Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; T564-C568 PolarHBondContact N-O 3.04Å; T564-C568 PolarHBondContact O-N 3.08Å
569Q93.5Very high88.9Confident9 Ų937.4 Ų37.44%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-70.9137.5174.4-171.6173.712.400109.8V406 G409 K410 R433 K532 C533 I534 L571V406-Q569 PolarHBondContact O-NE2 3.05Å; G409-Q569 VanDerWaalsContact C-CD 3.43Å; G409-Q569 WeakPolarHBondContact O-CG 3.49Å; K410-Q569 PolarHBondContact O-NE2 3.05Å; R433-Q569 VanDerWaalsContact NH1-OE1 3.14Å; K532-Q569 PolarHBondContact O-N 3Å; C533-Q569 CarbonylContact C-O 3.6Å; C533-Q569 WeakPolarHBondContact CA-O 3.24Å; I534-Q569 PolarHBondContact N-O 3.02Å; Q569-L571 HydrophobicContact CG-CD2 3.91Å; Q569-L571 HydrophobicContact CG-CG 4.32Å
570L96Very high88.7Confident0 Ų033.7 Ų33.70%017%0.166CC..EExtended strand (participates in β ladder)trans-111.8127.9173.1-173.761.3000109.6S411 V412 I534 L536 V572 L589 M590S411-L570 WeakPolarHBondContact CA-O 3.43Å; S411-L570 WeakPolarHBondContact CB-O 3.39Å; S411-L570 PolarHBondContact OG-N 3.29Å; S411-L570 VanDerWaalsContact OG-N 3.13Å; S411-L570 PolarHBondContact OG-O 3.46Å; V412-L570 PolarHBondContact N-O 2.91Å; I534-L570 HydrophobicContact CB-CD1 3.95Å; I534-L570 HydrophobicContact CG2-CD1 3.86Å; I534-L570 WeakPolarHBondContact O-CA 3.15Å; L536-L570 HydrophobicContact CD1-CD1 4.32Å; L536-L570 HydrophobicContact CG-CD1 4.38Å; L570-V572 HydrophobicContact CD1-CG2 4.43Å; L570-V572 HydrophobicContact CD2-CG2 4.32Å; L570-V572 HydrophobicContact CG-CG2 3.96Å; L570-L589 HydrophobicContact CD2-CB 3.8Å; L570-L589 HydrophobicContact CD2-CD1 4.32Å; L570-M590 HydrophobicContact CB-CG 4.2Å; L570-M590 HydrophobicContact CD2-CG 3.73Å; L570-M590 HydrophobicContact CD2-SD 4.17Å; L570-M590 HydrophobicContact CG-CE 4.46Å; L570-M590 HydrophobicContact CG-CG 4.26Å; L570-M590 HydrophobicContact CG-SD 4.49Å; L570-M590 WeakPolarHBondContact O-CE 3.49Å
571L97.1Very high88.8Confident0 Ų032.1 Ų32.10%016%0.158CC..EExtended strand (participates in β ladder)trans-120.8121.6-178.1-53.9171.8000108V406 V412 Y426 V430 C533 I534 A535 L536 Q569V406-L571 HydrophobicContact CG1-CD2 3.99Å; V406-L571 HydrophobicContact CG2-CD2 4.16Å; V412-L571 HydrophobicContact CG1-CD2 3.75Å; Y426-L571 HydrophobicContact CD2-CB 4.22Å; Y426-L571 HydrophobicContact CD2-CD1 3.71Å; Y426-L571 HydrophobicContact CE2-CB 4.47Å; Y426-L571 HydrophobicContact CG-CB 4.27Å; Y426-L571 HydrophobicContact CG-CD1 4Å; V430-L571 HydrophobicContact CG2-CD1 3.3Å; C533-L571 WeakPolarHBondContact SG-CD1 3.34Å; I534-L571 PolarHBondContact O-N 3.21Å; A535-L571 CarbonylContact C-O 3.59Å; A535-L571 WeakPolarHBondContact CA-O 3.46Å; A535-L571 HydrophobicContact CB-CB 4.24Å; A535-L571 HydrophobicContact CB-CD1 4.46Å; L536-L571 PolarHBondContact N-O 2.77Å; Q569-L571 HydrophobicContact CG-CD2 3.91Å; Q569-L571 HydrophobicContact CG-CG 4.32Å
572V97.2Very high88.9Confident0 Ų031.7 Ų31.70%016%0.157CC..EExtended strand (participates in β ladder)trans-128.3135.5-175.6-1730000110V412 L413 V414 L536 L539 L570 I586 M590V412-V572 PolarHBondContact O-N 2.83Å; L413-V572 CarbonylContact C-O 3.57Å; L413-V572 WeakPolarHBondContact CA-O 3.42Å; L413-V572 HydrophobicContact CD1-CB 3.72Å; L413-V572 HydrophobicContact CD1-CG1 3.59Å; V414-V572 PolarHBondContact N-O 3.45Å; L536-V572 HydrophobicContact CB-CG2 4.46Å; L536-V572 HydrophobicContact CD1-CG2 4.39Å; L539-V572 HydrophobicContact CB-CG1 4.13Å; L539-V572 HydrophobicContact CD2-CG1 3.75Å; L570-V572 HydrophobicContact CD1-CG2 4.43Å; L570-V572 HydrophobicContact CD2-CG2 4.32Å; L570-V572 HydrophobicContact CG-CG2 3.96Å; V572-I586 HydrophobicContact CG1-CG2 4.41Å; V572-I586 HydrophobicContact CG2-CG2 3.99Å; V572-M590 HydrophobicContact CB-CE 4.48Å; V572-M590 HydrophobicContact CG2-CE 3.99Å; V572-M590 HydrophobicContact CG2-SD 4.06Å
573S96.5Very high88.9Confident0 Ų029.3 Ų29.30%015%0.149CC..EExtended strand (participates in β ladder)trans-128.1137.6178147.70000109.7V414 K422 L536 D537 N538 L539V414-S573 CarbonylContact O-C 3.56Å; V414-S573 WeakPolarHBondContact O-CA 3.23Å; K422-S573 WeakPolarHBondContact CB-OG 3.4Å; K422-S573 WeakPolarHBondContact CD-OG 3.44Å; K422-S573 WeakPolarHBondContact CE-OG 3.31Å; L536-S573 PolarHBondContact O-N 2.86Å; D537-S573 WeakPolarHBondContact OD1-CB 3.34Å; D537-S573 PolarHBondContact OD1-OG 3.48Å; N538-S573 CarbonylContact C-O 3.54Å; N538-S573 WeakPolarHBondContact CA-O 3.34Å; N538-S573 PolarHBondContact N-O 2.96Å; N538-S573 PolarHBondContact N-OG 3.26Å; L539-S573 PolarHBondContact N-O 3.4Å
574G94.7Very high88.8Confident0 Ų034.4 Ų34.40%017%0.172CC..EExtended strand (participates in β ladder)trans-143.3160.4-174.300000113.1V414 V415 G416 K422 N540V414-G574 PolarHBondContact O-N 3.06Å; V415-G574 WeakPolarHBondContact CA-O 3.29Å; G416-G574 PolarHBondContact N-O 2.92Å; G416-G574 VanDerWaalsContact N-O 3.17Å; K422-G574 WeakPolarHBondContact CD-O 3.39Å; K422-G574 WeakPolarHBondContact CE-O 3.45Å; K422-G574 PolarHBondContact NZ-O 3.35Å; N540-G574 WeakPolarHBondContact OD1-CA 3.43Å
575R91.4Very high89.4Confident74 Ų7434.2 Ų34.228%0.27917%0.166SC..SBendtrans-94.2-30.5167.5-57.9-169.1-160.4-161.88.2112.8G416 N540 D541G416-R575 WeakPolarHBondContact O-CA 3.45Å; N540-R575 PolarHBondContact OD1-N 3.41Å; D541-R575 IonicContact OD1-CZ 3.34Å; D541-R575 IonicContact OD1-NE 3.73Å; D541-R575 PolarHBondContact OD1-NE 3.28Å; D541-R575 IonicContact OD1-NH2 2.77Å; D541-R575 PolarHBondContact OD1-NH2 3.03Å; D541-R575 IonicContact OD2-CZ 3.43Å; D541-R575 VanDerWaalsContact OD2-CZ 3.23Å; D541-R575 IonicContact OD2-NE 2.68Å; D541-R575 PolarHBondContact OD2-NE 3.15Å; D541-R575 IonicContact OD2-NH2 3.15Å; D541-R575 PolarHBondContact OD2-NH2 3.23Å
576I91.8Very high90.4Very high31 Ų3131.1 Ų31.116%0.15915%0.152CC..SBendtrans-137.1136.2-163.6-60.7164.5000109.2N540 H578 E602 K762 H763N540-I576 PolarHBondContact ND2-O 3.01Å; N540-I576 PolarHBondContact OD1-N 3.03Å; N540-I576 PolarHBondContact OD1-O 3.15Å; I576-H578 PolarHBondContact O-N 3Å; I576-E602 VanDerWaalsContact CA-OE2 3.25Å; I576-E602 WeakPolarHBondContact CA-OE2 3.27Å; I576-K762 HydrophobicContact CD1-CB 4.37Å; I576-K762 HydrophobicContact CD1-CD 3.85Å; I576-K762 HydrophobicContact CD1-CG 4.19Å; I576-H763 WeakPolarHBondContact CG2-CE1 3.21Å
577W92.1Very high91.2Very high2 Ų225.2 Ų25.21%0.00812%0.12CC..  trans-77.680.5171.1-173.3-96000111.3L413 V415 T579 M582 V583 L587 V595 F597 E602 Y606 H763L413-W577 HydrophobicContact CD2-CH2 4.08Å; L413-W577 HydrophobicContact CD2-CZ3 3.6Å; L413-W577 HydrophobicContact CG-CZ3 4.46Å; V415-W577 HydrophobicContact CG2-CE3 4.13Å; W577-T579 VanDerWaalsContact CD1-OG1 3.28Å; W577-T579 PolarHBondContact NE1-OG1 2.92Å; W577-T579 PolarHBondContact O-N 3.31Å; W577-T579 VanDerWaalsContact O-N 3.07Å; W577-M582 HydrophobicContact CD2-CB 4.37Å; W577-M582 HydrophobicContact CD2-CG 4.12Å; W577-M582 HydrophobicContact CE3-CB 4.35Å; W577-M582 HydrophobicContact CE3-CG 3.95Å; W577-M582 HydrophobicContact CH2-CB 3.71Å; W577-M582 HydrophobicContact CH2-CG 4.2Å; W577-M582 HydrophobicContact CZ2-CB 3.65Å; W577-M582 HydrophobicContact CZ2-CG 4.28Å; W577-M582 HydrophobicContact CZ3-CB 4.06Å; W577-M582 HydrophobicContact CZ3-CG 4.02Å; W577-V583 HydrophobicContact CZ2-CG2 4.34Å; W577-L587 HydrophobicContact CH2-CD1 3.83Å; W577-L587 HydrophobicContact CZ2-CD1 4.2Å; W577-V595 HydrophobicContact CH2-CG1 4.36Å; W577-V595 HydrophobicContact CZ3-CG1 3.86Å; W577-F597 HydrophobicContact CB-CE1 4.13Å; W577-F597 AromaticContact CD2-CE1 3.83Å; W577-F597 HydrophobicContact CD2-CE1 3.83Å; W577-F597 AromaticContact CD2-CZ 3.89Å; W577-F597 HydrophobicContact CD2-CZ 3.89Å; W577-F597 AromaticContact CE3-CE1 3.4Å; W577-F597 HydrophobicContact CE3-CE1 3.4Å; W577-F597 AromaticContact CE3-CZ 3.37Å; W577-F597 HydrophobicContact CE3-CZ 3.37Å; W577-F597 HydrophobicContact CG-CE1 4.12Å; W577-F597 HydrophobicContact CH2-CZ 4.27Å; W577-F597 HydrophobicContact CZ3-CE1 4.07Å; W577-F597 AromaticContact CZ3-CZ 3.58Å; W577-F597 HydrophobicContact CZ3-CZ 3.58Å; W577-E602 PolarHBondContact N-OE2 2.9Å; W577-Y606 HydrophobicContact CD2-CD2 4.34Å; W577-Y606 AromaticContact CE2-CD2 3.68Å; W577-Y606 AromaticContact CH2-CD2 3.81Å; W577-Y606 HydrophobicContact CH2-CD2 3.81Å; W577-Y606 HydrophobicContact CH2-CE2 4.14Å; W577-Y606 AromaticContact CZ2-CD2 3.41Å; W577-Y606 HydrophobicContact CZ2-CD2 3.41Å; W577-Y606 VanDerWaalsContact CZ2-CD2 3.41Å; W577-Y606 HydrophobicContact CZ2-CE2 4Å; W577-Y606 HydrophobicContact CZ2-CG 4.38Å; W577-Y606 HydrophobicContact CZ3-CD2 4.45Å; W577-H763 PolarHBondContact O-CE1 3.46Å; W577-H763 VanDerWaalsContact O-CE1 3.29Å; W577-H763 PolarHBondContact O-ND1 2.92Å
578H88.4Confident91.4Very high13 Ų1325.1 Ų25.16%0.0613%0.129CC..  trans-78.294.7173.5-176.6-79.6000110.4I576 D580 L581 M582 R1022I576-H578 PolarHBondContact O-N 3Å; H578-D580 IonicContact CE1-OD2 2.66Å; H578-D580 PolarHBondContact CE1-OD2 3.45Å; H578-D580 IonicContact NE2-OD2 3.02Å; H578-D580 PolarHBondContact O-N 3.32Å; H578-L581 HydrophobicContact CB-CB 4.22Å; H578-L581 HydrophobicContact CB-CD2 4.48Å; H578-L581 WeakPolarHBondContact ND1-CB 3.09Å; H578-L581 PolarHBondContact ND1-N 3.46Å; H578-L581 WeakPolarHBondContact O-CB 3.5Å; H578-L581 PolarHBondContact O-N 2.92Å; H578-M582 WeakPolarHBondContact O-CG 3.43Å; H578-M582 PolarHBondContact O-N 2.99Å; H578-R1022 PolarHBondContact CD2-NH1 3.44Å; H578-R1022 PolarHBondContact CE1-NH2 3.11Å; H578-R1022 VanDerWaalsContact NE2-CZ 3.32Å; H578-R1022 PolarHBondContact NE2-NH1 2.93Å; H578-R1022 PolarHBondContact NE2-NH2 3.02Å
579T87.4Confident91.2Very high22 Ų2226.2 Ų26.214%0.13513%0.134CC..Hα-helixtrans-49.3-54.5-166.6-55.30000114.7V342 W577 L581 M582 V583V342-T579 HydrophobicContact CB-CG2 3.73Å; V342-T579 HydrophobicContact CG1-CG2 3.88Å; V342-T579 HydrophobicContact CG2-CG2 3.71Å; W577-T579 VanDerWaalsContact CD1-OG1 3.28Å; W577-T579 PolarHBondContact NE1-OG1 2.92Å; W577-T579 PolarHBondContact O-N 3.31Å; W577-T579 VanDerWaalsContact O-N 3.07Å; T579-L581 VanDerWaalsContact C-N 3.26Å; T579-L581 PolarHBondContact O-N 2.93Å; T579-M582 PolarHBondContact O-N 3.5Å; T579-V583 HydrophobicContact CG2-CG2 3.98Å; T579-V583 WeakPolarHBondContact O-CB 3.43Å; T579-V583 WeakPolarHBondContact O-CG2 3.43Å; T579-V583 PolarHBondContact O-N 3.42Å
580D85Confident91.1Very high44 Ų4425.9 Ų25.924%0.23513%0.133CC..Hα-helixtrans-60.1-38.3-177.8-36.8-37.5000112.3H578 Q584 K764H578-D580 IonicContact CE1-OD2 2.66Å; H578-D580 PolarHBondContact CE1-OD2 3.45Å; H578-D580 IonicContact NE2-OD2 3.02Å; H578-D580 PolarHBondContact O-N 3.32Å; D580-Q584 WeakPolarHBondContact O-CA 3.49Å; D580-Q584 WeakPolarHBondContact O-CB 3.36Å; D580-Q584 VanDerWaalsContact O-CG 3.31Å; D580-Q584 WeakPolarHBondContact O-CG 3.47Å; D580-Q584 PolarHBondContact O-N 3.47Å; D580-K764 WeakPolarHBondContact OD2-CE 3.16Å; D580-K764 IonicContact OD2-NZ 3.72Å; D580-K764 PolarHBondContact OD2-NZ 3.33Å
581L88.9Confident90.4Very high6 Ų628.1 Ų28.13%0.03115%0.147CC..Hα-helixtrans-66.4-48.7-179.6176.671.6000109.8L539 V543 M551 L554 H578 T579 H585 I586L539-L581 HydrophobicContact CD2-CD2 3.94Å; L539-L581 HydrophobicContact CD2-CG 4.4Å; L539-L581 HydrophobicContact CG-CD2 4.14Å; V543-L581 HydrophobicContact CG2-CD1 4.35Å; V543-L581 HydrophobicContact CG2-CD2 3.85Å; M551-L581 HydrophobicContact CE-CD1 4.14Å; M551-L581 HydrophobicContact SD-CD1 3.72Å; L554-L581 HydrophobicContact CD1-CD1 3.64Å; H578-L581 HydrophobicContact CB-CB 4.22Å; H578-L581 HydrophobicContact CB-CD2 4.48Å; H578-L581 WeakPolarHBondContact ND1-CB 3.09Å; H578-L581 PolarHBondContact ND1-N 3.46Å; H578-L581 WeakPolarHBondContact O-CB 3.5Å; H578-L581 PolarHBondContact O-N 2.92Å; T579-L581 VanDerWaalsContact C-N 3.26Å; T579-L581 PolarHBondContact O-N 2.93Å; L581-H585 WeakPolarHBondContact O-CB 3.42Å; L581-H585 PolarHBondContact O-N 3.06Å; L581-H585 VanDerWaalsContact O-N 3.17Å; L581-I586 HydrophobicContact CG-CG1 4.39Å; L581-I586 PolarHBondContact O-N 3.37Å; L581-I586 VanDerWaalsContact O-N 3.17Å
582M90.8Very high89.7Confident0 Ų029.6 Ų29.60%016%0.156CC..Iπ-helixtrans-67.1-48.9-177.9-60.6-56.7176.500110.8L413 L539 W577 H578 T579 I586 L587L413-M582 HydrophobicContact CD1-CE 4.35Å; L413-M582 HydrophobicContact CD1-SD 4Å; L413-M582 HydrophobicContact CD2-SD 4.01Å; L539-M582 HydrophobicContact CD2-CE 4.4Å; W577-M582 HydrophobicContact CD2-CB 4.37Å; W577-M582 HydrophobicContact CD2-CG 4.12Å; W577-M582 HydrophobicContact CE3-CB 4.35Å; W577-M582 HydrophobicContact CE3-CG 3.95Å; W577-M582 HydrophobicContact CH2-CB 3.71Å; W577-M582 HydrophobicContact CH2-CG 4.2Å; W577-M582 HydrophobicContact CZ2-CB 3.65Å; W577-M582 HydrophobicContact CZ2-CG 4.28Å; W577-M582 HydrophobicContact CZ3-CB 4.06Å; W577-M582 HydrophobicContact CZ3-CG 4.02Å; H578-M582 WeakPolarHBondContact O-CG 3.43Å; H578-M582 PolarHBondContact O-N 2.99Å; T579-M582 PolarHBondContact O-N 3.5Å; M582-I586 PolarHBondContact O-N 2.65Å; M582-I586 HydrophobicContact SD-CB 4.39Å; M582-I586 HydrophobicContact SD-CG1 4.22Å; M582-I586 HydrophobicContact SD-CG2 4.47Å; M582-L587 HydrophobicContact CB-CD1 4.44Å; M582-L587 WeakPolarHBondContact O-CB 3.19Å; M582-L587 WeakPolarHBondContact O-CG 3.38Å; M582-L587 PolarHBondContact O-N 3.28Å
583V87.3Confident89.5Confident48 Ų4829.8 Ų29.829%0.29116%0.157SC..Iπ-helixtrans-75.8-40.8-173.9179.30000113W577 T579 L587 P588W577-V583 HydrophobicContact CZ2-CG2 4.34Å; T579-V583 HydrophobicContact CG2-CG2 3.98Å; T579-V583 WeakPolarHBondContact O-CB 3.43Å; T579-V583 WeakPolarHBondContact O-CG2 3.43Å; T579-V583 PolarHBondContact O-N 3.42Å; V583-L587 HydrophobicContact CG2-CD1 4.41Å; V583-P588 WeakPolarHBondContact O-CD 3.28Å; V583-P588 WeakPolarHBondContact O-CG 3.45Å
584Q86.8Confident89.4Confident121 Ų12129.8 Ų29.857%0.56516%0.157SC*.Iπ-helixtrans-91.6-24.5-173.7-52.2175.97.600113.5D580D580-Q584 WeakPolarHBondContact O-CA 3.49Å; D580-Q584 WeakPolarHBondContact O-CB 3.36Å; D580-Q584 VanDerWaalsContact O-CG 3.31Å; D580-Q584 WeakPolarHBondContact O-CG 3.47Å; D580-Q584 PolarHBondContact O-N 3.47Å
585H89.2Confident89.4Confident60 Ų6029.9 Ų29.928%0.27816%0.157SC..Iπ-helixtrans-127.7-20.4-170-58.2-70.6000116M551 L554 L581 L589M551-H585 HydrophobicContact CE-CB 4.14Å; M551-H585 WeakPolarHBondContact CE-CD2 3.39Å; M551-H585 VanDerWaalsContact CE-CG 3.5Å; M551-H585 WeakPolarHBondContact CE-NE2 3.44Å; L554-H585 HydrophobicContact CD1-CB 4.29Å; L581-H585 WeakPolarHBondContact O-CB 3.42Å; L581-H585 PolarHBondContact O-N 3.06Å; L581-H585 VanDerWaalsContact O-N 3.17Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.14Å
586I92.8Very high89.6Confident0 Ų026.4 Ų26.40%014%0.144CC..Iπ-helixtrans-105.4-58.2-178.1-62-63.3000111.7L536 L539 L554 V572 L581 M582 P588 L589 M590L536-I586 HydrophobicContact CD1-CD1 4.47Å; L539-I586 HydrophobicContact CD2-CD1 3.57Å; L539-I586 HydrophobicContact CD2-CG1 3.78Å; L554-I586 HydrophobicContact CD1-CD1 3.78Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.3Å; V572-I586 HydrophobicContact CG1-CG2 4.41Å; V572-I586 HydrophobicContact CG2-CG2 3.99Å; L581-I586 HydrophobicContact CG-CG1 4.39Å; L581-I586 PolarHBondContact O-N 3.37Å; L581-I586 VanDerWaalsContact O-N 3.17Å; M582-I586 PolarHBondContact O-N 2.65Å; M582-I586 HydrophobicContact SD-CB 4.39Å; M582-I586 HydrophobicContact SD-CG1 4.22Å; M582-I586 HydrophobicContact SD-CG2 4.47Å; I586-P588 VanDerWaalsContact C-CD 3.43Å; I586-L589 WeakPolarHBondContact O-CA 3.43Å; I586-L589 VanDerWaalsContact O-CB 3.3Å; I586-L589 WeakPolarHBondContact O-CB 3.47Å; I586-L589 PolarHBondContact O-N 3.39Å; I586-M590 HydrophobicContact CG2-SD 3.43Å; I586-M590 WeakPolarHBondContact CG2-SD 3.5Å; I586-M590 WeakPolarHBondContact O-CG 3.18Å
587L90.7Very high89.8Confident10 Ų1025 Ų255%0.05214%0.137CC..G310 helixtrans-62-31.7-175.8-63.1166.4000114.5F345 L413 W577 M582 V583 L589 M590 V593 V595F345-L587 HydrophobicContact CE2-CD1 3.72Å; F345-L587 HydrophobicContact CZ-CB 3.94Å; F345-L587 HydrophobicContact CZ-CD1 3.6Å; F345-L587 HydrophobicContact CZ-CG 4.31Å; L413-L587 HydrophobicContact CD2-CD2 3.86Å; L413-L587 HydrophobicContact CD2-CG 4.49Å; W577-L587 HydrophobicContact CH2-CD1 3.83Å; W577-L587 HydrophobicContact CZ2-CD1 4.2Å; M582-L587 HydrophobicContact CB-CD1 4.44Å; M582-L587 WeakPolarHBondContact O-CB 3.19Å; M582-L587 WeakPolarHBondContact O-CG 3.38Å; M582-L587 PolarHBondContact O-N 3.28Å; V583-L587 HydrophobicContact CG2-CD1 4.41Å; L587-L589 PolarHBondContact O-N 3.23Å; L587-M590 CarbonylContact O-C 3.58Å; L587-M590 PolarHBondContact O-N 2.99Å; L587-V593 HydrophobicContact CD2-CG1 4.02Å; L587-V593 HydrophobicContact CD2-CG2 4.29Å; L587-V595 HydrophobicContact CD2-CG2 4.04Å
588P89.2Confident89.8Confident87 Ų8727.1 Ų27.157%0.56515%0.148SC*.G310 helixtrans-60.8-21.8170.9-25.837.1000113.9V583 I586 M590V583-P588 WeakPolarHBondContact O-CD 3.28Å; V583-P588 WeakPolarHBondContact O-CG 3.45Å; I586-P588 VanDerWaalsContact C-CD 3.43Å; P588-M590 VanDerWaalsContact C-N 3.33Å
589L89.4Confident90.1Very high23 Ų2326.8 Ų26.812%0.1215%0.147CC..G310 helixtrans-90.75.7176.8-47.2-177.5000112.8P558 L563 L570 H585 I586 L587P558-L589 HydrophobicContact CB-CD2 3.98Å; P558-L589 HydrophobicContact CG-CD2 3.97Å; L563-L589 HydrophobicContact CB-CB 4.46Å; L563-L589 HydrophobicContact CD1-CB 3.82Å; L563-L589 HydrophobicContact CD1-CD1 3.9Å; L563-L589 HydrophobicContact CD1-CD2 4.22Å; L563-L589 HydrophobicContact CD1-CG 4.2Å; L570-L589 HydrophobicContact CD2-CB 3.8Å; L570-L589 HydrophobicContact CD2-CD1 4.32Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.14Å; I586-L589 WeakPolarHBondContact O-CA 3.43Å; I586-L589 VanDerWaalsContact O-CB 3.3Å; I586-L589 WeakPolarHBondContact O-CB 3.47Å; I586-L589 PolarHBondContact O-N 3.39Å; L587-L589 PolarHBondContact O-N 3.23Å
590M90.5Very high90.4Very high2 Ų225.9 Ų25.91%0.0114%0.142CC..  trans-139.367.6-169.7-51.8174.483.100111.3V412 L413 L570 V572 I586 L587 P588 D592 V593V412-M590 VanDerWaalsContact O-CE 3.27Å; V412-M590 WeakPolarHBondContact O-CE 3.46Å; L413-M590 HydrophobicContact CB-CE 4.22Å; L570-M590 HydrophobicContact CB-CG 4.2Å; L570-M590 HydrophobicContact CD2-CG 3.73Å; L570-M590 HydrophobicContact CD2-SD 4.17Å; L570-M590 HydrophobicContact CG-CE 4.46Å; L570-M590 HydrophobicContact CG-CG 4.26Å; L570-M590 HydrophobicContact CG-SD 4.49Å; L570-M590 WeakPolarHBondContact O-CE 3.49Å; V572-M590 HydrophobicContact CB-CE 4.48Å; V572-M590 HydrophobicContact CG2-CE 3.99Å; V572-M590 HydrophobicContact CG2-SD 4.06Å; I586-M590 HydrophobicContact CG2-SD 3.43Å; I586-M590 WeakPolarHBondContact CG2-SD 3.5Å; I586-M590 WeakPolarHBondContact O-CG 3.18Å; L587-M590 CarbonylContact O-C 3.58Å; L587-M590 PolarHBondContact O-N 2.99Å; P588-M590 VanDerWaalsContact C-N 3.33Å; M590-D592 VanDerWaalsContact C-N 3.3Å; M590-D592 PolarHBondContact O-N 3.43Å; M590-V593 HydrophobicContact CB-CB 3.8Å; M590-V593 HydrophobicContact CB-CG2 4.21Å; M590-V593 HydrophobicContact CE-CG2 3.81Å; M590-V593 WeakPolarHBondContact O-CB 3.19Å; M590-V593 WeakPolarHBondContact O-CG1 3.4Å; M590-V593 PolarHBondContact O-N 2.85Å; M590-V593 HydrophobicContact SD-CG2 4.25Å
591P81.2Confident90.8Very high47 Ų4723.9 Ų23.931%0.30513%0.131SC..THydrogen-bonded Turntrans-54.8-43.8-176.319.8-31.9000113R362R362-P591 VanDerWaalsContact CD-O 3.27Å; R362-P591 WeakPolarHBondContact CD-O 3.33Å; R362-P591 PolarHBondContact NE-O 2.94Å
592D83.6Confident91.1Very high32 Ų3224.1 Ų24.117%0.17113%0.132CC..THydrogen-bonded Turntrans-10236.3-175.2-56.7-76.3000113.1H363 H405 M590H363-D592 IonicContact CD2-OD1 3.81Å; H363-D592 IonicContact CE1-OD1 3.23Å; H363-D592 IonicContact NE2-OD1 2.68Å; H363-D592 PolarHBondContact NE2-OD1 3.27Å; H405-D592 PolarHBondContact CE1-O 3.14Å; H405-D592 PolarHBondContact NE2-O 3.14Å; H405-D592 VanDerWaalsContact NE2-O 3.16Å; M590-D592 VanDerWaalsContact C-N 3.3Å; M590-D592 PolarHBondContact O-N 3.43Å
593V92Very high91.1Very high4 Ų424.1 Ų24.12%0.02413%0.132CC..PPolyproline II helixtrans-66.3137.9-177.266.90000113.5W360 S411 L413 L587 M590 V595W360-V593 HydrophobicContact CZ3-CG1 3.96Å; S411-V593 WeakPolarHBondContact O-CA 3.38Å; L413-V593 HydrophobicContact CB-CG2 4.03Å; L587-V593 HydrophobicContact CD2-CG1 4.02Å; L587-V593 HydrophobicContact CD2-CG2 4.29Å; M590-V593 HydrophobicContact CB-CB 3.8Å; M590-V593 HydrophobicContact CB-CG2 4.21Å; M590-V593 HydrophobicContact CE-CG2 3.81Å; M590-V593 WeakPolarHBondContact O-CB 3.19Å; M590-V593 WeakPolarHBondContact O-CG1 3.4Å; M590-V593 PolarHBondContact O-N 2.85Å; M590-V593 HydrophobicContact SD-CG2 4.25Å; V593-V595 HydrophobicContact CG1-CG2 4.03Å; V593-V595 HydrophobicContact CG2-CG2 3.85Å
594L94.8Very high91.3Very high0 Ų022 Ų220%012%0.119CC..EExtended strand (participates in β ladder)trans-97.8118.1153.2170.565.8000108W360 V365 F401 H405 S411 V412 L413 L596W360-L594 WeakPolarHBondContact O-CA 3.4Å; V365-L594 HydrophobicContact CG1-CD2 4.49Å; V365-L594 HydrophobicContact CG2-CD1 4.25Å; V365-L594 HydrophobicContact CG2-CD2 4.37Å; F401-L594 HydrophobicContact CB-CD2 4.07Å; F401-L594 WeakPolarHBondContact O-CD2 3.36Å; H405-L594 HydrophobicContact CB-CD2 3.7Å; H405-L594 VanDerWaalsContact CD2-CB 3.43Å; H405-L594 WeakPolarHBondContact CD2-CB 3.28Å; H405-L594 WeakPolarHBondContact NE2-CB 3.42Å; H405-L594 PolarHBondContact NE2-N 3.3Å; S411-L594 PolarHBondContact O-N 2.83Å; S411-L594 VanDerWaalsContact O-N 3.07Å; V412-L594 WeakPolarHBondContact CA-O 3.38Å; V412-L594 HydrophobicContact CG2-CB 4.2Å; V412-L594 HydrophobicContact CG2-CD2 4.23Å; V412-L594 HydrophobicContact CG2-CG 4.29Å; V412-L594 WeakPolarHBondContact CG2-O 3.48Å; L413-L594 PolarHBondContact N-O 3.03Å; L594-L596 HydrophobicContact CD1-CD2 3.77Å; L594-L596 HydrophobicContact CD1-CG 4.33Å; L594-L596 HydrophobicContact CD2-CD1 4.11Å; L594-L596 HydrophobicContact CD2-CD2 4.11Å; L594-L596 HydrophobicContact CD2-CG 4.15Å; L594-L596 HydrophobicContact CG-CD1 4.42Å; L594-L596 HydrophobicContact CG-CD2 3.91Å; L594-L596 HydrophobicContact CG-CG 3.93Å
595V95.1Very high91.4Very high2 Ų216.5 Ų16.51%0.0129%0.094CC..EExtended strand (participates in β ladder)trans-96.7131.3172.2-171.60000108.3G359 W360 L413 W577 L587 V593 F597G359-V595 CarbonylContact C-O 3.59Å; G359-V595 VanDerWaalsContact CA-O 3.28Å; G359-V595 WeakPolarHBondContact CA-O 3.3Å; W360-V595 HydrophobicContact CE3-CG2 4.18Å; W360-V595 PolarHBondContact N-O 3.26Å; W360-V595 PolarHBondContact O-N 3.17Å; L413-V595 HydrophobicContact CB-CG2 4.46Å; L413-V595 HydrophobicContact CD2-CG1 4.24Å; L413-V595 HydrophobicContact CD2-CG2 4.43Å; L413-V595 HydrophobicContact CG-CG1 4.32Å; L413-V595 CarbonylContact O-C 3.57Å; L413-V595 WeakPolarHBondContact O-CA 3.46Å; W577-V595 HydrophobicContact CH2-CG1 4.36Å; W577-V595 HydrophobicContact CZ3-CG1 3.86Å; L587-V595 HydrophobicContact CD2-CG2 4.04Å; V593-V595 HydrophobicContact CG1-CG2 4.03Å; V593-V595 HydrophobicContact CG2-CG2 3.85Å; V595-F597 HydrophobicContact CG1-CD2 4.22Å; V595-F597 HydrophobicContact CG1-CE2 3.46Å; V595-F597 VanDerWaalsContact CG1-CE2 3.46Å; V595-F597 HydrophobicContact CG1-CZ 3.82Å
596L95.8Very high91.4Very high0 Ų015 Ų150%09%0.086CC..EExtended strand (participates in β ladder)trans-127.5132179.3-62.6177.8000111V357 L358 V398 F401 A402 L413 V414 V415 L594V357-L596 HydrophobicContact CG1-CB 4.37Å; V357-L596 HydrophobicContact CG1-CD2 4Å; L358-L596 WeakPolarHBondContact O-CA 3.41Å; V398-L596 HydrophobicContact CB-CD1 4.13Å; V398-L596 HydrophobicContact CG1-CB 4.3Å; V398-L596 WeakPolarHBondContact O-CD1 3.15Å; F401-L596 HydrophobicContact CB-CD1 4.07Å; F401-L596 HydrophobicContact CB-CD2 3.8Å; F401-L596 HydrophobicContact CD2-CD2 4.35Å; F401-L596 HydrophobicContact CG-CD2 4.2Å; A402-L596 HydrophobicContact CB-CD1 3.93Å; L413-L596 PolarHBondContact O-N 3.06Å; V414-L596 HydrophobicContact CG1-CB 4.37Å; V414-L596 HydrophobicContact CG2-CD1 4.33Å; V415-L596 PolarHBondContact N-O 3Å; L594-L596 HydrophobicContact CD1-CD2 3.77Å; L594-L596 HydrophobicContact CD1-CG 4.33Å; L594-L596 HydrophobicContact CD2-CD1 4.11Å; L594-L596 HydrophobicContact CD2-CD2 4.11Å; L594-L596 HydrophobicContact CD2-CG 4.15Å; L594-L596 HydrophobicContact CG-CD1 4.42Å; L594-L596 HydrophobicContact CG-CD2 3.91Å; L594-L596 HydrophobicContact CG-CG 3.93Å
597F95.2Very high90.9Very high1 Ų115.2 Ų15.20%0.0049%0.088CC..EExtended strand (participates in β ladder)trans-118.1117.1171.5-57.7-97.2000110V357 L358 V415 W577 V595 E602 A603 Y606V357-F597 VanDerWaalsContact CA-O 3.31Å; V357-F597 WeakPolarHBondContact CA-O 3.42Å; L358-F597 HydrophobicContact CB-CB 4.31Å; L358-F597 HydrophobicContact CB-CD2 4.49Å; L358-F597 HydrophobicContact CD2-CD2 4.09Å; L358-F597 PolarHBondContact N-O 2.75Å; L358-F597 PolarHBondContact O-N 3.2Å; V415-F597 HydrophobicContact CB-CD1 4.05Å; V415-F597 HydrophobicContact CB-CE1 4.28Å; V415-F597 HydrophobicContact CG1-CD1 4.21Å; V415-F597 HydrophobicContact CG1-CE1 4.42Å; V415-F597 WeakPolarHBondContact O-CA 3.47Å; W577-F597 HydrophobicContact CB-CE1 4.13Å; W577-F597 AromaticContact CD2-CE1 3.83Å; W577-F597 HydrophobicContact CD2-CE1 3.83Å; W577-F597 AromaticContact CD2-CZ 3.89Å; W577-F597 HydrophobicContact CD2-CZ 3.89Å; W577-F597 AromaticContact CE3-CE1 3.4Å; W577-F597 HydrophobicContact CE3-CE1 3.4Å; W577-F597 AromaticContact CE3-CZ 3.37Å; W577-F597 HydrophobicContact CE3-CZ 3.37Å; W577-F597 HydrophobicContact CG-CE1 4.12Å; W577-F597 HydrophobicContact CH2-CZ 4.27Å; W577-F597 HydrophobicContact CZ3-CE1 4.07Å; W577-F597 AromaticContact CZ3-CZ 3.58Å; W577-F597 HydrophobicContact CZ3-CZ 3.58Å; V595-F597 HydrophobicContact CG1-CD2 4.22Å; V595-F597 HydrophobicContact CG1-CE2 3.46Å; V595-F597 VanDerWaalsContact CG1-CE2 3.46Å; V595-F597 HydrophobicContact CG1-CZ 3.82Å; F597-E602 HydrophobicContact CD1-CB 4.33Å; F597-A603 HydrophobicContact CB-CB 3.73Å; F597-A603 HydrophobicContact CD1-CB 4.09Å; F597-A603 HydrophobicContact CD2-CB 4.35Å; F597-A603 HydrophobicContact CG-CB 3.82Å; F597-Y606 HydrophobicContact CD2-CD1 4.47Å; F597-Y606 HydrophobicContact CE1-CG 4.25Å; F597-Y606 AromaticContact CE2-CD1 3.53Å; F597-Y606 HydrophobicContact CE2-CD1 3.53Å; F597-Y606 HydrophobicContact CE2-CD2 4.39Å; F597-Y606 AromaticContact CE2-CE1 3.99Å; F597-Y606 HydrophobicContact CE2-CE1 3.99Å; F597-Y606 AromaticContact CE2-CG 3.76Å; F597-Y606 HydrophobicContact CE2-CG 3.76Å; F597-Y606 AromaticContact CZ-CD1 3.66Å; F597-Y606 HydrophobicContact CZ-CD1 3.66Å; F597-Y606 AromaticContact CZ-CD2 3.91Å; F597-Y606 HydrophobicContact CZ-CD2 3.91Å; F597-Y606 HydrophobicContact CZ-CE1 4.42Å; F597-Y606 AromaticContact CZ-CG 3.36Å; F597-Y606 HydrophobicContact CZ-CG 3.36Å
598D92.8Very high90.7Very high48 Ų4815.1 Ų15.126%0.2579%0.09SC..SBendtrans-85-18.8167.3-163.787.3000111.6V357 V398 V415 I420V357-D598 HydrophobicContact CG2-CB 4.43Å; V398-D598 HydrophobicContact CG1-CB 3.8Å; V415-D598 PolarHBondContact O-N 3.44Å; I420-D598 HydrophobicContact CD1-CB 3.47Å; I420-D598 VanDerWaalsContact CD1-CB 3.47Å; I420-D598 VanDerWaalsContact CG2-OD2 3.25Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.28Å
599D93.5Very high90.6Very high5 Ų511.2 Ų11.23%0.0276%0.064CC..  trans-106.6114.5-179.9-164.3-56.2000111N417 L601 E602 A603 K720N417-D599 PolarHBondContact ND2-OD2 2.66Å; N417-D599 PolarHBondContact OD1-OD2 2.82Å; D599-L601 VanDerWaalsContact C-N 3.31Å; D599-L601 PolarHBondContact O-N 2.64Å; D599-L601 PolarHBondContact OD1-N 2.66Å; D599-E602 HydrophobicContact CB-CB 4.03Å; D599-E602 HydrophobicContact CB-CG 3.81Å; D599-E602 PolarHBondContact O-N 3.06Å; D599-E602 PolarHBondContact OD1-N 3.49Å; D599-A603 WeakPolarHBondContact O-CB 3.47Å; D599-A603 PolarHBondContact O-N 3.24Å; D599-K720 WeakPolarHBondContact OD2-CE 3.25Å; D599-K720 IonicContact OD2-NZ 3.64Å; D599-K720 PolarHBondContact OD2-NZ 3.09Å
600A93.3Very high90.6Very high3 Ų312.3 Ų12.33%0.0257%0.068CC..Hα-helixtrans-72.4-21.6-174.100000114.2S604 F723 S724 Y727A600-S604 PolarHBondContact O-N 2.75Å; A600-S604 VanDerWaalsContact O-N 3.15Å; A600-S604 PolarHBondContact O-OG 3.15Å; A600-F723 HydrophobicContact CB-CB 4.05Å; A600-F723 WeakPolarHBondContact O-CB 3.45Å; A600-S724 VanDerWaalsContact CB-N 3.34Å; A600-Y727 HydrophobicContact CB-CE1 3.65Å; A600-Y727 WeakPolarHBondContact CB-OH 3.48Å
601L94.4Very high90.6Very high3 Ų312.4 Ų12.42%0.0167%0.069CC..Hα-helixtrans-75.4-43.2173.7174.859.6000110.1D599 A603 S604 V605 W716 K720 F723 F759D599-L601 VanDerWaalsContact C-N 3.31Å; D599-L601 PolarHBondContact O-N 2.64Å; D599-L601 PolarHBondContact OD1-N 2.66Å; L601-A603 VanDerWaalsContact C-N 3.3Å; L601-A603 PolarHBondContact O-N 3.39Å; L601-S604 WeakPolarHBondContact O-CA 3.43Å; L601-S604 WeakPolarHBondContact O-CB 3.45Å; L601-S604 PolarHBondContact O-N 3.47Å; L601-V605 PolarHBondContact O-N 3.35Å; L601-V605 VanDerWaalsContact O-N 3.16Å; L601-W716 HydrophobicContact CD2-CH2 4.35Å; L601-W716 HydrophobicContact CD2-CZ2 4.12Å; L601-K720 HydrophobicContact CB-CB 4.03Å; L601-K720 HydrophobicContact CB-CD 4.09Å; L601-K720 HydrophobicContact CB-CG 3.89Å; L601-K720 HydrophobicContact CD2-CD 3.9Å; L601-K720 HydrophobicContact CD2-CG 3.75Å; L601-K720 HydrophobicContact CG-CG 4.48Å; L601-F723 HydrophobicContact CB-CD2 4.13Å; L601-F723 HydrophobicContact CB-CG 4.28Å; L601-F723 HydrophobicContact CD1-CD1 3.87Å; L601-F723 HydrophobicContact CD1-CD2 3.99Å; L601-F723 HydrophobicContact CD1-CE1 3.66Å; L601-F723 HydrophobicContact CD1-CE2 3.79Å; L601-F723 HydrophobicContact CD1-CG 4.04Å; L601-F723 HydrophobicContact CD1-CZ 3.64Å; L601-F759 HydrophobicContact CD1-CE1 4.02Å; L601-F759 HydrophobicContact CD1-CE2 4.11Å; L601-F759 HydrophobicContact CD1-CZ 3.54Å; L601-F759 HydrophobicContact CD2-CD1 4.47Å; L601-F759 HydrophobicContact CD2-CD2 3.75Å; L601-F759 HydrophobicContact CD2-CE1 4.22Å; L601-F759 HydrophobicContact CD2-CE2 3.46Å; L601-F759 VanDerWaalsContact CD2-CE2 3.46Å; L601-F759 HydrophobicContact CD2-CG 4.25Å; L601-F759 HydrophobicContact CD2-CZ 3.71Å; L601-F759 HydrophobicContact CG-CD2 4.24Å; L601-F759 HydrophobicContact CG-CE1 4.21Å; L601-F759 HydrophobicContact CG-CE2 3.42Å; L601-F759 VanDerWaalsContact CG-CE2 3.42Å; L601-F759 HydrophobicContact CG-CZ 3.4Å
602E93.9Very high91.1Very high11 Ų1111.2 Ų11.25%0.0516%0.06CC..Hα-helixtrans-61.6-38.1172-61.4-65.1143.800111.9V415 I576 W577 F597 D599 S604 V605 Y606 F759 H763V415-E602 HydrophobicContact CG1-CB 4.27Å; I576-E602 VanDerWaalsContact CA-OE2 3.25Å; I576-E602 WeakPolarHBondContact CA-OE2 3.27Å; W577-E602 PolarHBondContact N-OE2 2.9Å; F597-E602 HydrophobicContact CD1-CB 4.33Å; D599-E602 HydrophobicContact CB-CB 4.03Å; D599-E602 HydrophobicContact CB-CG 3.81Å; D599-E602 PolarHBondContact O-N 3.06Å; D599-E602 PolarHBondContact OD1-N 3.49Å; E602-S604 PolarHBondContact O-N 3.05Å; E602-V605 PolarHBondContact O-N 3.09Å; E602-Y606 PolarHBondContact O-N 3.2Å; E602-Y606 VanDerWaalsContact O-N 3.16Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.41Å; E602-H763 IonicContact OE1-CE1 3.45Å; E602-H763 IonicContact OE1-NE2 3.54Å; E602-H763 PolarHBondContact OE1-NE2 2.74Å; E602-H763 IonicContact OE2-CE1 3.97Å; E602-H763 PolarHBondContact OE2-CE1 2.9Å; E602-H763 IonicContact OE2-NE2 2.59Å; E602-H763 PolarHBondContact OE2-NE2 3.33Å; E602-H763 VanDerWaalsContact OE2-NE2 3.08Å
603A92Very high91.5Very high0 Ų010.9 Ų10.90%06%0.059CC..Hα-helixtrans-63.2-27.8172.400000113.4L358 F597 D599 L601 G607 Y727L358-A603 HydrophobicContact CB-CB 4.4Å; L358-A603 HydrophobicContact CD2-CB 3.9Å; F597-A603 HydrophobicContact CB-CB 3.73Å; F597-A603 HydrophobicContact CD1-CB 4.09Å; F597-A603 HydrophobicContact CD2-CB 4.35Å; F597-A603 HydrophobicContact CG-CB 3.82Å; D599-A603 WeakPolarHBondContact O-CB 3.47Å; D599-A603 PolarHBondContact O-N 3.24Å; L601-A603 VanDerWaalsContact C-N 3.3Å; L601-A603 PolarHBondContact O-N 3.39Å; A603-G607 PolarHBondContact O-N 3.38Å; A603-Y727 HydrophobicContact CB-CE1 3.9Å
604S91.1Very high91.6Very high3 Ų313 Ų132%0.0217%0.067CC..Hα-helixtrans-79.6-29.9178.3-62.80000112.5A600 L601 E602 G607 G608 V609A600-S604 PolarHBondContact O-N 2.75Å; A600-S604 VanDerWaalsContact O-N 3.15Å; A600-S604 PolarHBondContact O-OG 3.15Å; L601-S604 WeakPolarHBondContact O-CA 3.43Å; L601-S604 WeakPolarHBondContact O-CB 3.45Å; L601-S604 PolarHBondContact O-N 3.47Å; E602-S604 PolarHBondContact O-N 3.05Å; S604-G607 CarbonylContact O-C 3.58Å; S604-G607 PolarHBondContact O-N 2.72Å; S604-G608 PolarHBondContact O-N 2.81Å; S604-G608 VanDerWaalsContact O-N 3.14Å; S604-V609 PolarHBondContact O-N 2.68Å
605V89.9Confident91.4Very high5 Ų514.4 Ų14.43%0.038%0.075CC..Hα-helixtrans-63.3-51166.9177.30000110.2L340 L601 E602 G607 G608 F759L340-V605 HydrophobicContact CD1-CG2 4.42Å; L340-V605 HydrophobicContact CD2-CB 4.29Å; L340-V605 HydrophobicContact CD2-CG1 3.69Å; L340-V605 HydrophobicContact CD2-CG2 4.45Å; L601-V605 PolarHBondContact O-N 3.35Å; L601-V605 VanDerWaalsContact O-N 3.16Å; E602-V605 PolarHBondContact O-N 3.09Å; V605-G607 PolarHBondContact O-N 2.95Å; V605-G608 PolarHBondContact O-N 3.3Å; V605-G608 VanDerWaalsContact O-N 3.08Å; V605-F759 HydrophobicContact CG2-CE1 4.26Å; V605-F759 HydrophobicContact CG2-CE2 4.24Å; V605-F759 HydrophobicContact CG2-CZ 3.47Å; V605-F759 VanDerWaalsContact CG2-CZ 3.47Å
606Y88.3Confident91.2Very high30 Ų3014.3 Ų14.312%0.1188%0.075CC..Hα-helixtrans-54.2-34.9172.2166.9-110.5000112.4L358 W577 F597 E602L358-Y606 HydrophobicContact CD2-CD1 4.42Å; W577-Y606 HydrophobicContact CD2-CD2 4.34Å; W577-Y606 AromaticContact CE2-CD2 3.68Å; W577-Y606 AromaticContact CH2-CD2 3.81Å; W577-Y606 HydrophobicContact CH2-CD2 3.81Å; W577-Y606 HydrophobicContact CH2-CE2 4.14Å; W577-Y606 AromaticContact CZ2-CD2 3.41Å; W577-Y606 HydrophobicContact CZ2-CD2 3.41Å; W577-Y606 VanDerWaalsContact CZ2-CD2 3.41Å; W577-Y606 HydrophobicContact CZ2-CE2 4Å; W577-Y606 HydrophobicContact CZ2-CG 4.38Å; W577-Y606 HydrophobicContact CZ3-CD2 4.45Å; F597-Y606 HydrophobicContact CD2-CD1 4.47Å; F597-Y606 HydrophobicContact CE1-CG 4.25Å; F597-Y606 AromaticContact CE2-CD1 3.53Å; F597-Y606 HydrophobicContact CE2-CD1 3.53Å; F597-Y606 HydrophobicContact CE2-CD2 4.39Å; F597-Y606 AromaticContact CE2-CE1 3.99Å; F597-Y606 HydrophobicContact CE2-CE1 3.99Å; F597-Y606 AromaticContact CE2-CG 3.76Å; F597-Y606 HydrophobicContact CE2-CG 3.76Å; F597-Y606 AromaticContact CZ-CD1 3.66Å; F597-Y606 HydrophobicContact CZ-CD1 3.66Å; F597-Y606 AromaticContact CZ-CD2 3.91Å; F597-Y606 HydrophobicContact CZ-CD2 3.91Å; F597-Y606 HydrophobicContact CZ-CE1 4.42Å; F597-Y606 AromaticContact CZ-CG 3.36Å; F597-Y606 HydrophobicContact CZ-CG 3.36Å; E602-Y606 PolarHBondContact O-N 3.2Å; E602-Y606 VanDerWaalsContact O-N 3.16Å
607G83.2Confident90.7Very high3 Ų316.4 Ų16.43%0.0319%0.092CC..THydrogen-bonded Turntrans-76-12.517800000117.2A603 S604 V605 V609 V738A603-G607 PolarHBondContact O-N 3.38Å; S604-G607 CarbonylContact O-C 3.58Å; S604-G607 PolarHBondContact O-N 2.72Å; V605-G607 PolarHBondContact O-N 2.95Å; G607-V609 VanDerWaalsContact C-N 3.3Å; G607-V609 PolarHBondContact O-N 3.27Å; G607-V738 WeakPolarHBondContact O-CB 3.24Å; G607-V738 WeakPolarHBondContact O-CG2 3.24Å
608G84.7Confident90.3Very high9 Ų921.5 Ų21.59%0.09312%0.119CC..THydrogen-bonded Turntrans66.728.5-172.300000114.3L340 S604 V605L340-G608 WeakPolarHBondContact O-CA 3.5Å; S604-G608 PolarHBondContact O-N 2.81Å; S604-G608 VanDerWaalsContact O-N 3.14Å; V605-G608 PolarHBondContact O-N 3.3Å; V605-G608 VanDerWaalsContact O-N 3.08Å
609V88Confident89.9Confident4 Ų422.6 Ų22.62%0.02412%0.123CC..  trans-69.9128.5172.1175.30000108.8L340 S604 G607 F726 V738 G739L340-V609 WeakPolarHBondContact CB-O 3.36Å; L340-V609 WeakPolarHBondContact CD1-O 3.36Å; S604-V609 PolarHBondContact O-N 2.68Å; G607-V609 VanDerWaalsContact C-N 3.3Å; G607-V609 PolarHBondContact O-N 3.27Å; V609-F726 HydrophobicContact CG1-CD2 4.03Å; V609-F726 HydrophobicContact CG1-CE1 4.3Å; V609-F726 HydrophobicContact CG1-CE2 3.63Å; V609-F726 HydrophobicContact CG1-CZ 3.77Å; V609-F726 HydrophobicContact CG2-CB 4.37Å; V609-F726 HydrophobicContact CG2-CD1 4.43Å; V609-F726 HydrophobicContact CG2-CD2 4.21Å; V609-F726 HydrophobicContact CG2-CG 4.11Å; V609-V738 HydrophobicContact CG2-CB 4.38Å; V609-V738 HydrophobicContact CG2-CG1 4.45Å; V609-G739 CarbonylContact C-O 3.54Å; V609-G739 WeakPolarHBondContact CA-O 3.36Å
610Q88.9Confident89.6Confident46 Ų4626.9 Ų26.922%0.21515%0.15CC..EExtended strand (participates in β ladder)trans-74.3143.2178.4-68.1179.2-20.100111.1P737 G739 Q740 S741Q610-P737 HydrophobicContact CG-CB 4.18Å; Q610-G739 PolarHBondContact N-O 3.49Å; Q610-Q740 HydrophobicContact CB-CG 4.38Å; Q610-S741 PolarHBondContact O-N 2.89Å
611L91.3Very high89.4Confident4 Ų430.5 Ų30.52%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-120.9122.6177.4-17358.3000110.6V613 F723 S741 V743 L756 F759 Y760L611-V613 HydrophobicContact CG-CG2 4.47Å; L611-F723 HydrophobicContact CD1-CE1 4.47Å; L611-F723 HydrophobicContact CD1-CZ 4.22Å; L611-S741 WeakPolarHBondContact CD1-OG 3.18Å; L611-V743 HydrophobicContact CD1-CG2 4.04Å; L611-L756 HydrophobicContact CD2-CD2 4.5Å; L611-F759 HydrophobicContact CD2-CD1 4.31Å; L611-F759 HydrophobicContact CD2-CE1 4.01Å; L611-Y760 HydrophobicContact CD2-CD2 4.39Å; L611-Y760 HydrophobicContact CD2-CE2 3.54Å; L611-Y760 HydrophobicContact CG-CE2 4.05Å; L611-Y760 PolarHBondContact O-OH 2.77Å; L611-Y760 VanDerWaalsContact O-OH 3.13Å
612D91Very high89.1Confident23 Ų2330.5 Ų30.512%0.12317%0.167CC..EExtended strand (participates in β ladder)trans-119.5136.5177.2176.212.9000108.3R614 S741 V742 V743D612-R614 IonicContact OD1-NE 3.68Å; D612-R614 IonicContact OD2-CZ 3.6Å; D612-R614 VanDerWaalsContact OD2-CZ 3.26Å; D612-R614 IonicContact OD2-NE 2.74Å; D612-R614 PolarHBondContact OD2-NE 2.81Å; D612-R614 IonicContact OD2-NH2 3.99Å; D612-R614 PolarHBondContact OD2-NH2 3.28Å; D612-S741 PolarHBondContact N-O 3.01Å; D612-V742 HydrophobicContact CB-CG1 4.37Å; D612-V742 HydrophobicContact CB-CG2 4.15Å; D612-V742 WeakPolarHBondContact O-CA 3.46Å; D612-V743 PolarHBondContact O-N 3.4Å
613V93Very high88.8Confident24 Ų2430.9 Ų30.915%0.14517%0.169CC..EExtended strand (participates in β ladder)trans-133105.5-178.9-176.30000108.2L611 V743 A745 L756 Y760 L771L611-V613 HydrophobicContact CG-CG2 4.47Å; V613-V743 WeakPolarHBondContact CA-O 3.29Å; V613-V743 HydrophobicContact CG1-CB 4.41Å; V613-V743 HydrophobicContact CG2-CB 4.27Å; V613-V743 HydrophobicContact CG2-CG2 4.45Å; V613-A745 HydrophobicContact CG1-CB 4.27Å; V613-L756 HydrophobicContact CG1-CD1 4.07Å; V613-L756 HydrophobicContact CG2-CD1 4.13Å; V613-Y760 HydrophobicContact CG2-CE2 4.23Å; V613-L771 HydrophobicContact CB-CD1 4.29Å; V613-L771 HydrophobicContact CG1-CD1 3.98Å; V613-L771 HydrophobicContact CG1-CD2 4.23Å
614R92.6Very high88.6Confident49 Ų4935.7 Ų35.719%0.18519%0.192CC..EExtended strand (participates in β ladder)trans-97.8120.7179.5-53.4-172.2-170.5-168-3.7108.4D612 V616 V742 V743 F744 A745D612-R614 IonicContact OD1-NE 3.68Å; D612-R614 IonicContact OD2-CZ 3.6Å; D612-R614 VanDerWaalsContact OD2-CZ 3.26Å; D612-R614 IonicContact OD2-NE 2.74Å; D612-R614 PolarHBondContact OD2-NE 2.81Å; D612-R614 IonicContact OD2-NH2 3.99Å; D612-R614 PolarHBondContact OD2-NH2 3.28Å; R614-V616 HydrophobicContact CB-CG2 4.1Å; R614-V742 HydrophobicContact CG-CG1 4.31Å; R614-V743 PolarHBondContact N-O 2.89Å; R614-F744 HydrophobicContact CB-CD1 4.23Å; R614-F744 WeakPolarHBondContact O-CA 3.39Å; R614-A745 PolarHBondContact O-N 2.9Å
615V91.8Very high88.4Confident30 Ų3038.2 Ų38.218%0.18220%0.203CC..EExtended strand (participates in β ladder)trans-83123.5172-177.80000107.8A745 P747 L771 I774V615-A745 CarbonylContact C-O 3.5Å; V615-A745 VanDerWaalsContact CA-O 3.26Å; V615-A745 WeakPolarHBondContact CA-O 3.19Å; V615-P747 HydrophobicContact CG1-CG 3.77Å; V615-L771 HydrophobicContact CG2-CD2 3.35Å; V615-I774 HydrophobicContact CB-CD1 4.36Å; V615-I774 HydrophobicContact CG1-CD1 3.79Å; V615-I774 HydrophobicContact CG2-CD1 3.76Å
616V90.8Very high88.3Confident0 Ų038 Ų380%020%0.202CC..  trans-142.9121-172.6-172.20000107.5R614 E621 K622 A745R614-V616 HydrophobicContact CB-CG2 4.1Å; V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.74Å; V616-E621 VanDerWaalsContact CG1-OE2 3.28Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.42Å; V616-K622 HydrophobicContact CB-CG 4.01Å; V616-K622 HydrophobicContact CG1-CB 4.18Å; V616-K622 HydrophobicContact CG1-CG 3.52Å; V616-K622 VanDerWaalsContact CG1-N 3.34Å; V616-A745 PolarHBondContact N-O 3.47Å
617A84.4Confident88.1Confident43 Ų4340 Ų4036%0.35521%0.211SC..  trans-79.8-52.9-175.200000111E621 K746A617-E621 PolarHBondContact N-OE2 3.39Å; A617-E621 VanDerWaalsContact N-OE2 3.09Å; A617-K746 PolarHBondContact O-NZ 3.31Å
618D86.4Confident88.2Confident108 Ų10841.9 Ų41.958%0.57823%0.226SC*.SBendtrans-104.8149.1-165.6-64.9-52.4000112.9E621 K622D618-E621 HydrophobicContact CB-CB 4.41Å; D618-E621 WeakPolarHBondContact O-CB 3.42Å; D618-E621 PolarHBondContact O-N 2.66Å; D618-K622 PolarHBondContact O-N 3.27Å
619E86.1Confident88.2Confident72 Ų7241.6 Ų41.634%0.33622%0.222SC..Hα-helixtrans-65.3-37.4-179.2-63.9-63.2131.900113.6E621 K622 I623 Y710 K746E619-E621 VanDerWaalsContact C-N 3.29Å; E619-E621 PolarHBondContact O-N 3.17Å; E619-K622 WeakPolarHBondContact O-CB 3.44Å; E619-K622 PolarHBondContact O-N 2.94Å; E619-K622 WeakPolarHBondContact OE1-CE 3.05Å; E619-K622 IonicContact OE1-NZ 3.67Å; E619-K622 PolarHBondContact OE1-NZ 2.82Å; E619-K622 IonicContact OE2-NZ 3.39Å; E619-I623 WeakPolarHBondContact O-CG1 3.31Å; E619-I623 PolarHBondContact O-N 3.45Å; E619-I623 VanDerWaalsContact O-N 3.1Å; E619-Y710 VanDerWaalsContact OE2-CE1 3.26Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.37Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.31Å; E619-Y710 PolarHBondContact OE2-OH 3.43Å; E619-K746 WeakPolarHBondContact OE1-CE 3.23Å; E619-K746 IonicContact OE1-NZ 3.05Å; E619-K746 PolarHBondContact OE1-NZ 2.84Å
620P86.6Confident87.8Confident94 Ų9443 Ų4361%0.6123%0.23SC*.Hα-helixtrans-58.2-39.8169.8-25.435.8000112.8K622 I623 E624P620-K622 VanDerWaalsContact C-N 3.34Å; P620-K622 PolarHBondContact O-N 2.64Å; P620-I623 PolarHBondContact O-N 3.23Å; P620-I623 VanDerWaalsContact O-N 3.12Å; P620-E624 PolarHBondContact O-N 2.64Å
621E88.1Confident87.2Confident80 Ų8043.4 Ų43.437%0.37424%0.241SC..Hα-helixtrans-65.8-36.1177.9-164.5-164.4-170.400111.6V616 A617 D618 E619 I623 E624 H625V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.74Å; V616-E621 VanDerWaalsContact CG1-OE2 3.28Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.42Å; A617-E621 PolarHBondContact N-OE2 3.39Å; A617-E621 VanDerWaalsContact N-OE2 3.09Å; D618-E621 HydrophobicContact CB-CB 4.41Å; D618-E621 WeakPolarHBondContact O-CB 3.42Å; D618-E621 PolarHBondContact O-N 2.66Å; E619-E621 VanDerWaalsContact C-N 3.29Å; E619-E621 PolarHBondContact O-N 3.17Å; E621-I623 VanDerWaalsContact C-N 3.33Å; E621-I623 PolarHBondContact O-N 3.36Å; E621-E624 PolarHBondContact O-N 3.11Å; E621-H625 PolarHBondContact O-N 3.05Å; E621-H625 PolarHBondContact O-ND1 3.48Å; E621-H625 IonicContact OE1-CE1 3.29Å
622K89.2Confident86.5Confident2 Ų248.2 Ų48.21%0.00926%0.263CS..Hα-helixtrans-62.2-39.6170.7-74.2-173.7-179.4174.40111.9V616 D618 E619 P620 H625 L626 Y710 S711 F744V616-K622 HydrophobicContact CB-CG 4.01Å; V616-K622 HydrophobicContact CG1-CB 4.18Å; V616-K622 HydrophobicContact CG1-CG 3.52Å; V616-K622 VanDerWaalsContact CG1-N 3.34Å; D618-K622 PolarHBondContact O-N 3.27Å; E619-K622 WeakPolarHBondContact O-CB 3.44Å; E619-K622 PolarHBondContact O-N 2.94Å; E619-K622 WeakPolarHBondContact OE1-CE 3.05Å; E619-K622 IonicContact OE1-NZ 3.67Å; E619-K622 PolarHBondContact OE1-NZ 2.82Å; E619-K622 IonicContact OE2-NZ 3.39Å; P620-K622 VanDerWaalsContact C-N 3.34Å; P620-K622 PolarHBondContact O-N 2.64Å; K622-H625 PolarHBondContact O-N 3.12Å; K622-L626 WeakPolarHBondContact O-CB 3.24Å; K622-L626 PolarHBondContact O-N 3.46Å; K622-Y710 HydrophobicContact CB-CE2 4.1Å; K622-Y710 HydrophobicContact CD-CD1 4.46Å; K622-Y710 HydrophobicContact CD-CE1 3.84Å; K622-Y710 HydrophobicContact CD-CE2 4.02Å; K622-Y710 WeakPolarHBondContact CE-O 3.32Å; K622-Y710 PolarHBondContact NZ-O 3.28Å; K622-S711 PolarHBondContact NZ-OG 3.22Å; K622-S711 VanDerWaalsContact NZ-OG 3.14Å; K622-F744 HydrophobicContact CB-CD2 4.15Å; K622-F744 HydrophobicContact CB-CE2 4.36Å; K622-F744 HydrophobicContact CD-CB 4.47Å; K622-F744 HydrophobicContact CD-CD2 4.15Å; K622-F744 HydrophobicContact CG-CD2 4.02Å
623I87.9Confident85.4Confident20 Ų2049.8 Ų49.810%0.10327%0.267CS..Hα-helixtrans-67.8-37.4178.5-62.6-61.3000111.3E619 P620 E621 L626 K627 L654 I661E619-I623 WeakPolarHBondContact O-CG1 3.31Å; E619-I623 PolarHBondContact O-N 3.45Å; E619-I623 VanDerWaalsContact O-N 3.1Å; P620-I623 PolarHBondContact O-N 3.23Å; P620-I623 VanDerWaalsContact O-N 3.12Å; E621-I623 VanDerWaalsContact C-N 3.33Å; E621-I623 PolarHBondContact O-N 3.36Å; I623-L626 HydrophobicContact CD1-CD2 4.48Å; I623-L626 PolarHBondContact O-N 2.88Å; I623-K627 HydrophobicContact CG2-CD 4.45Å; I623-K627 WeakPolarHBondContact O-CG 3.37Å; I623-K627 PolarHBondContact O-N 2.75Å; I623-L654 HydrophobicContact CD1-CD1 3.52Å; I623-I661 HydrophobicContact CG2-CD1 4.2Å
624E87.2Confident83.8Confident101 Ų10157 Ų5747%0.47229%0.292SS..Hα-helixtrans-68.5-43173-60-42.5121.900112.7P620 E621 L626 K627 A628P620-E624 PolarHBondContact O-N 2.64Å; E621-E624 PolarHBondContact O-N 3.11Å; E624-L626 PolarHBondContact O-N 3.42Å; E624-K627 WeakPolarHBondContact O-CB 3.32Å; E624-K627 PolarHBondContact O-N 2.66Å; E624-K627 IonicContact OE1-NZ 3.76Å; E624-K627 PolarHBondContact OE1-NZ 3.42Å; E624-K627 WeakPolarHBondContact OE2-CD 3.46Å; E624-K627 IonicContact OE2-NZ 3.74Å; E624-K627 PolarHBondContact OE2-NZ 3.49Å; E624-A628 PolarHBondContact O-N 2.88Å
625H87.6Confident82Confident56 Ų5661.1 Ų61.126%0.25932%0.317SS..Hα-helixtrans-59.9-36.7172.9-79.694.3000112.4E621 K622 L629 F744E621-H625 PolarHBondContact O-N 3.05Å; E621-H625 PolarHBondContact O-ND1 3.48Å; E621-H625 IonicContact OE1-CE1 3.29Å; K622-H625 PolarHBondContact O-N 3.12Å; H625-L629 VanDerWaalsContact O-CB 3.29Å; H625-L629 WeakPolarHBondContact O-CB 3.43Å; H625-L629 PolarHBondContact O-N 3.08Å; H625-L629 VanDerWaalsContact O-N 3.09Å; H625-F744 HydrophobicContact CB-CE1 4.39Å; H625-F744 HydrophobicContact CB-CZ 4.15Å
626L88.1Confident80.1Confident0 Ų065.4 Ų65.40%033%0.334CS..Hα-helixtrans-70.2-40.7175.7179.855.2000112.4K622 I623 E624 L629 I630 M643 L654 L658 I708 Y710 F744K622-L626 WeakPolarHBondContact O-CB 3.24Å; K622-L626 PolarHBondContact O-N 3.46Å; I623-L626 HydrophobicContact CD1-CD2 4.48Å; I623-L626 PolarHBondContact O-N 2.88Å; E624-L626 PolarHBondContact O-N 3.42Å; L626-L629 PolarHBondContact O-N 3.37Å; L626-I630 HydrophobicContact CD1-CD1 3.74Å; L626-I630 HydrophobicContact CD1-CG1 4.1Å; L626-I630 HydrophobicContact CG-CD1 3.89Å; L626-I630 WeakPolarHBondContact O-CB 3.26Å; L626-I630 VanDerWaalsContact O-CG1 3.25Å; L626-I630 WeakPolarHBondContact O-CG1 3.44Å; L626-I630 PolarHBondContact O-N 2.87Å; L626-M643 HydrophobicContact CD1-CE 3.39Å; L626-M643 HydrophobicContact CD2-CE 3.69Å; L626-M643 HydrophobicContact CG-CE 4.19Å; L626-L654 HydrophobicContact CD2-CD1 4.32Å; L626-L658 HydrophobicContact CD2-CD2 3.92Å; L626-I708 HydrophobicContact CD1-CD1 3.93Å; L626-Y710 HydrophobicContact CD2-CE2 4.49Å; L626-F744 HydrophobicContact CB-CE2 4.24Å; L626-F744 HydrophobicContact CB-CZ 4.32Å
627K83.6Confident78.4Confident72 Ų7269 Ų6931%0.31336%0.364SS..Hα-helixtrans-58.1-48.5171.7-79.6162.5170.3177.50111.5I623 E624 I630 A631 I661I623-K627 HydrophobicContact CG2-CD 4.45Å; I623-K627 WeakPolarHBondContact O-CG 3.37Å; I623-K627 PolarHBondContact O-N 2.75Å; E624-K627 WeakPolarHBondContact O-CB 3.32Å; E624-K627 PolarHBondContact O-N 2.66Å; E624-K627 IonicContact OE1-NZ 3.76Å; E624-K627 PolarHBondContact OE1-NZ 3.42Å; E624-K627 WeakPolarHBondContact OE2-CD 3.46Å; E624-K627 IonicContact OE2-NZ 3.74Å; E624-K627 PolarHBondContact OE2-NZ 3.49Å; K627-I630 PolarHBondContact O-N 3.01Å; K627-A631 VanDerWaalsContact O-CB 3.3Å; K627-A631 WeakPolarHBondContact O-CB 3.47Å; K627-A631 PolarHBondContact O-N 3.22Å; K627-I661 HydrophobicContact CD-CD1 4.24Å; K627-I661 HydrophobicContact CG-CD1 3.58Å
628A85.6Confident77.4Confident43 Ų4372.2 Ų72.236%0.35538%0.375SS..Hα-helixtrans-58.9-50.417900000111.3E624 I630 A631 E632E624-A628 PolarHBondContact O-N 2.88Å; A628-I630 VanDerWaalsContact C-N 3.35Å; A628-I630 PolarHBondContact O-N 3.47Å; A628-A631 PolarHBondContact O-N 2.86Å; A628-A631 VanDerWaalsContact O-N 3.08Å; A628-E632 WeakPolarHBondContact O-CG 3.4Å; A628-E632 PolarHBondContact O-N 3.13Å
629L84.8Confident76.8Confident2 Ų270.1 Ų70.11%0.0136%0.361CS..Hα-helixtrans-60.9-39.2178.7-176.5161.2000112.7H625 L626 R633 L706 I708 V742H625-L629 VanDerWaalsContact O-CB 3.29Å; H625-L629 WeakPolarHBondContact O-CB 3.43Å; H625-L629 PolarHBondContact O-N 3.08Å; H625-L629 VanDerWaalsContact O-N 3.09Å; L626-L629 PolarHBondContact O-N 3.37Å; L629-R633 WeakPolarHBondContact O-CB 2.96Å; L629-R633 WeakPolarHBondContact O-CG 3.46Å; L629-R633 PolarHBondContact O-N 2.73Å; L629-L706 HydrophobicContact CD2-CD1 4.5Å; L629-L706 HydrophobicContact CD2-CD2 3.72Å; L629-I708 HydrophobicContact CD1-CD1 4.49Å; L629-I708 HydrophobicContact CD2-CD1 3.73Å; L629-I708 HydrophobicContact CD2-CG1 4.44Å; L629-V742 HydrophobicContact CD1-CB 4.07Å; L629-V742 HydrophobicContact CD1-CG1 3.86Å; L629-V742 HydrophobicContact CD1-CG2 3.9Å
630I78.6Confident76.5Confident34 Ų3467.7 Ų67.717%0.17435%0.352CS..Hα-helixtrans-68.7-39.7173.4-70168.1000111.1L626 K627 A628 R633 R634 L658 V663L626-I630 HydrophobicContact CD1-CD1 3.74Å; L626-I630 HydrophobicContact CD1-CG1 4.1Å; L626-I630 HydrophobicContact CG-CD1 3.89Å; L626-I630 WeakPolarHBondContact O-CB 3.26Å; L626-I630 VanDerWaalsContact O-CG1 3.25Å; L626-I630 WeakPolarHBondContact O-CG1 3.44Å; L626-I630 PolarHBondContact O-N 2.87Å; K627-I630 PolarHBondContact O-N 3.01Å; A628-I630 VanDerWaalsContact C-N 3.35Å; A628-I630 PolarHBondContact O-N 3.47Å; I630-R633 PolarHBondContact O-N 2.82Å; I630-R634 WeakPolarHBondContact O-CG 3.38Å; I630-R634 PolarHBondContact O-N 3.24Å; I630-L658 HydrophobicContact CD1-CD2 4.4Å; I630-V663 HydrophobicContact CD1-CG1 4.2Å; I630-V663 HydrophobicContact CD1-CG2 4.27Å
631A77.7Confident76.6Confident54 Ų5463.9 Ų63.945%0.44633%0.329SS..Hα-helixtrans-67.6-43.6179.500000112.2K627 A628 R633 R634K627-A631 VanDerWaalsContact O-CB 3.3Å; K627-A631 WeakPolarHBondContact O-CB 3.47Å; K627-A631 PolarHBondContact O-N 3.22Å; A628-A631 PolarHBondContact O-N 2.86Å; A628-A631 VanDerWaalsContact O-N 3.08Å; A631-R633 VanDerWaalsContact C-N 3.27Å; A631-R633 PolarHBondContact O-N 3.14Å; A631-R634 WeakPolarHBondContact O-CB 3.15Å; A631-R634 PolarHBondContact O-N 2.98Å; A631-R634 VanDerWaalsContact O-N 3.16Å
632E75.6Confident76.8Confident105 Ų10560.1 Ų60.149%0.49131%0.311SS..Hα-helixtrans-52.8-46.2170.4-73.4165.2-171.900111A628 R634 N635A628-E632 WeakPolarHBondContact O-CG 3.4Å; A628-E632 PolarHBondContact O-N 3.13Å; E632-R634 PolarHBondContact O-N 3.11Å; E632-N635 PolarHBondContact O-N 3.39Å; E632-N635 PolarHBondContact O-ND2 3.12Å
633R68.2Low77.1Confident57 Ų5760 Ų6022%0.21531%0.31CS..Hα-helixtrans-74.4-16.3180-71.3-74.5178.5170.5-2.2114.8L629 I630 A631 N635 F636 E639 L706L629-R633 WeakPolarHBondContact O-CB 2.96Å; L629-R633 WeakPolarHBondContact O-CG 3.46Å; L629-R633 PolarHBondContact O-N 2.73Å; I630-R633 PolarHBondContact O-N 2.82Å; A631-R633 VanDerWaalsContact C-N 3.27Å; A631-R633 PolarHBondContact O-N 3.14Å; R633-N635 PolarHBondContact O-N 3.23Å; R633-F636 CarbonylContact O-C 3.59Å; R633-F636 WeakPolarHBondContact O-CA 3.4Å; R633-F636 PolarHBondContact O-N 3.05Å; R633-E639 WeakPolarHBondContact CD-OE2 3.43Å; R633-E639 IonicContact CZ-OE2 2.67Å; R633-E639 IonicContact NE-OE2 2.84Å; R633-E639 IonicContact NH1-OE1 3.17Å; R633-E639 IonicContact NH1-OE2 3.82Å; R633-E639 PolarHBondContact NH1-OE2 2.89Å; R633-L706 HydrophobicContact CG-CD2 4.21Å
634R60Low77.5Confident176 Ų17659 Ų5966%0.66431%0.306SS*.THydrogen-bonded Turntrans-62.7-21171.7-77.7179.2-179.9-1730.2113.1I630 A631 E632 F636I630-R634 WeakPolarHBondContact O-CG 3.38Å; I630-R634 PolarHBondContact O-N 3.24Å; A631-R634 WeakPolarHBondContact O-CB 3.15Å; A631-R634 PolarHBondContact O-N 2.98Å; A631-R634 VanDerWaalsContact O-N 3.16Å; E632-R634 PolarHBondContact O-N 3.11Å; R634-F636 VanDerWaalsContact C-N 3.25Å; R634-F636 PolarHBondContact O-N 2.92Å
635N53.6Low77.8Confident134 Ų13454.2 Ų54.272%0.71728%0.283SS*.THydrogen-bonded Turntrans-72.6-18.3171.4-56-57.2000112.9E632 R633E632-N635 PolarHBondContact O-N 3.39Å; E632-N635 PolarHBondContact O-ND2 3.12Å; R633-N635 PolarHBondContact O-N 3.23Å
636F52.9Low77.8Confident121 Ų12153.6 Ų53.653%0.53129%0.285SS..SBendtrans-106.870.7177.8-61.8-90.4000109.5R633 R634 N638 E639R633-F636 CarbonylContact O-C 3.59Å; R633-F636 WeakPolarHBondContact O-CA 3.4Å; R633-F636 PolarHBondContact O-N 3.05Å; R634-F636 VanDerWaalsContact C-N 3.25Å; R634-F636 PolarHBondContact O-N 2.92Å; F636-N638 PolarHBondContact O-N 3.49Å; F636-E639 HydrophobicContact CB-CG 4.25Å
637A54.2Low77.9Confident76 Ų7656.7 Ų56.763%0.62830%0.302SS*.THydrogen-bonded Turntrans-58.8134.6-174.500000112.8
638N62.8Low78.3Confident109 Ų10956.1 Ų56.158%0.58331%0.306SS*.THydrogen-bonded Turntrans77.725.1178.8-45.6-54.8000117F636 P685F636-N638 PolarHBondContact O-N 3.49Å; N638-P685 CarbonylContact C-O 3.56Å
639E73.9Confident78.7Confident64 Ų6458.2 Ų58.230%0.29932%0.315SS..  trans-90.9121.7169.6-73.8-165.6148.200113.1R633 F636 P685 P705R633-E639 WeakPolarHBondContact CD-OE2 3.43Å; R633-E639 IonicContact CZ-OE2 2.67Å; R633-E639 IonicContact NE-OE2 2.84Å; R633-E639 IonicContact NH1-OE1 3.17Å; R633-E639 IonicContact NH1-OE2 3.82Å; R633-E639 PolarHBondContact NH1-OE2 2.89Å; F636-E639 HydrophobicContact CB-CG 4.25Å; E639-P685 CarbonylContact C-O 3.29Å; E639-P685 VanDerWaalsContact C-O 3.29Å; E639-P705 HydrophobicContact CB-CG 3.66Å; E639-P705 HydrophobicContact CG-CB 4.47Å; E639-P705 HydrophobicContact CG-CG 3.88Å
640P81.6Confident79Confident22 Ų2259.4 Ų59.414%0.14332%0.321CS..  trans-81.3137.7178.228.8-32.1000112.1W680 P685 P705P640-W680 HydrophobicContact CB-CH2 4.06Å; P640-W680 HydrophobicContact CB-CZ2 3.62Å; P640-P685 WeakPolarHBondContact CA-O 3.35Å; P640-P685 WeakPolarHBondContact CB-O 3.32Å; P640-P685 WeakPolarHBondContact CD-O 3.35Å; P640-P685 VanDerWaalsContact N-O 3.09Å; P640-P705 VanDerWaalsContact O-CD 3.29Å; P640-P705 WeakPolarHBondContact O-CD 3.24Å
641A87.6Confident79.8Confident14 Ų1457.8 Ų57.812%0.11631%0.312CS..EExtended strand (participates in β ladder)trans-117.4137.5179.400000111.8G687 L688 L689 L706A641-G687 PolarHBondContact N-O 2.74Å; A641-L688 HydrophobicContact CB-CD1 3.79Å; A641-L689 PolarHBondContact O-N 2.81Å; A641-L706 HydrophobicContact CB-CB 4.27Å; A641-L706 HydrophobicContact CB-CD2 3.86Å; A641-L706 HydrophobicContact CB-CG 4.16Å
642V92.6Very high80.5Confident0 Ų059.7 Ų59.70%031%0.314CS..EExtended strand (participates in β ladder)trans-113136171.6-177.50000109.5W680 L689 V691 C701 I704 L706 L707 I708 L725V642-W680 HydrophobicContact CG2-CH2 3.63Å; V642-W680 HydrophobicContact CG2-CZ2 4.19Å; V642-W680 HydrophobicContact CG2-CZ3 4.42Å; V642-L689 HydrophobicContact CG2-CB 4.48Å; V642-L689 HydrophobicContact CG2-CD2 4.43Å; V642-V691 HydrophobicContact CG1-CG1 4.4Å; V642-V691 HydrophobicContact CG1-CG2 3.92Å; V642-C701 HydrophobicContact CG2-CB 4.27Å; V642-I704 HydrophobicContact CG2-CD1 4.46Å; V642-I704 HydrophobicContact CG2-CG2 3.76Å; V642-L706 PolarHBondContact N-O 3.06Å; V642-L706 VanDerWaalsContact N-O 3.1Å; V642-L707 HydrophobicContact CB-CD1 4.22Å; V642-L707 HydrophobicContact CG1-CD1 4.3Å; V642-L707 CarbonylContact O-C 3.5Å; V642-L707 WeakPolarHBondContact O-CA 3.27Å; V642-I708 PolarHBondContact O-N 3.21Å; V642-L725 HydrophobicContact CG1-CD1 3.94Å
643M94.3Very high81.2Confident0 Ų059.3 Ų59.30%032%0.315CS..EExtended strand (participates in β ladder)trans-123.5125.7176.5178.7-177-66.100110.4L626 L654 L688 L689 L690 V691 I708 Y710L626-M643 HydrophobicContact CD1-CE 3.39Å; L626-M643 HydrophobicContact CD2-CE 3.69Å; L626-M643 HydrophobicContact CG-CE 4.19Å; M643-L654 HydrophobicContact SD-CD2 3.41Å; M643-L654 WeakPolarHBondContact SD-CD2 3.26Å; M643-L654 HydrophobicContact SD-CG 4.44Å; M643-L688 HydrophobicContact CB-CD1 3.99Å; M643-L688 HydrophobicContact CE-CD1 4.31Å; M643-L688 HydrophobicContact CE-CD2 3.95Å; M643-L689 PolarHBondContact N-O 3.16Å; M643-L690 HydrophobicContact CB-CD2 4.01Å; M643-L690 HydrophobicContact CG-CD2 4.28Å; M643-L690 HydrophobicContact SD-CD2 3.7Å; M643-V691 PolarHBondContact O-N 2.93Å; M643-I708 CarbonylContact C-O 3.54Å; M643-I708 VanDerWaalsContact CA-O 3.29Å; M643-I708 WeakPolarHBondContact CA-O 3.26Å; M643-I708 HydrophobicContact CB-CB 4.16Å; M643-I708 HydrophobicContact CE-CB 4.11Å; M643-I708 HydrophobicContact CE-CD1 3.69Å; M643-I708 HydrophobicContact CE-CG2 3.96Å; M643-I708 HydrophobicContact CG-CB 4.07Å; M643-I708 HydrophobicContact CG-CG2 4.27Å; M643-Y710 HydrophobicContact SD-CD2 4.02Å; M643-Y710 HydrophobicContact SD-CG 4.35Å
644V96.3Very high82.4Confident0 Ų056.9 Ų56.90%031%0.306CS..EExtended strand (participates in β ladder)trans-104118.4180-164.80000110.1V691 V696 L707 I708 Y710 R722 L725V644-V691 WeakPolarHBondContact CA-O 3.4Å; V644-V691 HydrophobicContact CB-CG2 4.25Å; V644-V691 HydrophobicContact CG1-CG2 4.22Å; V644-V691 HydrophobicContact CG2-CG2 3.81Å; V644-V696 HydrophobicContact CG1-CG2 4.27Å; V644-V696 HydrophobicContact CG2-CG2 4.44Å; V644-L707 HydrophobicContact CG2-CD1 3.85Å; V644-I708 PolarHBondContact N-O 3.19Å; V644-Y710 PolarHBondContact O-N 2.97Å; V644-R722 HydrophobicContact CB-CG 4.33Å; V644-R722 HydrophobicContact CG1-CG 4.06Å; V644-R722 VanDerWaalsContact CG1-NE 3.33Å; V644-R722 HydrophobicContact CG2-CB 4.4Å; V644-R722 HydrophobicContact CG2-CG 4.19Å; V644-R722 PolarHBondContact O-NH1 3.41Å; V644-L725 HydrophobicContact CG2-CD1 4.49Å
645C94.3Very high83.8Confident0 Ų052.9 Ų52.90%029%0.291CS..EExtended strand (participates in β ladder)trans-96161.6169.3-63.40000110.2E650 V651 V691C645-E650 HydrophobicContact CB-CB 4.24Å; C645-E650 HydrophobicContact CB-CG 3.97Å; C645-E650 WeakPolarHBondContact CB-OE2 3.41Å; C645-V651 HydrophobicContact CB-CG2 3.54Å; C645-V691 PolarHBondContact N-O 2.9Å
646S88.4Confident85.6Confident42 Ų4254.9 Ų54.929%0.29429%0.289SS..SBendtrans-70.1-35177.965.10000113.1E650S646-E650 WeakPolarHBondContact CB-OE2 3.48Å; S646-E650 PolarHBondContact N-OE2 3.17Å; S646-E650 PolarHBondContact OG-OE2 3.19Å
647N89.7Confident87.3Confident66 Ų6651.5 Ų51.535%0.35328%0.28SS..SBendtrans-152.1168.2-17370.479.8000112.7T649 E650 V651 T692N647-T649 WeakPolarHBondContact OD1-CA 3.27Å; N647-T649 VanDerWaalsContact OD1-CB 3.28Å; N647-T649 WeakPolarHBondContact OD1-CB 3.26Å; N647-T649 PolarHBondContact OD1-N 3Å; N647-E650 PolarHBondContact OD1-N 3.14Å; N647-V651 PolarHBondContact O-N 3.24Å; N647-T692 VanDerWaalsContact C-CG2 3.45Å
648S92.3Very high88.9Confident59 Ų5947.9 Ų47.941%0.41325%0.25SS..Hα-helixtrans-71-30.5-176.249.90000114.3V651 L652S648-V651 PolarHBondContact O-N 2.88Å; S648-L652 WeakPolarHBondContact O-CG 3.38Å; S648-L652 PolarHBondContact O-N 3.14Å
649T92.8Very high90.1Very high88 Ų8846.9 Ų46.954%0.5424%0.242SC..Hα-helixtrans-65.6-43.4175.8-52.10000110.8N647 V651 L652 L653N647-T649 WeakPolarHBondContact OD1-CA 3.27Å; N647-T649 VanDerWaalsContact OD1-CB 3.28Å; N647-T649 WeakPolarHBondContact OD1-CB 3.26Å; N647-T649 PolarHBondContact OD1-N 3Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 3.24Å; T649-L652 PolarHBondContact O-N 2.96Å; T649-L653 HydrophobicContact CG2-CD1 4.26Å; T649-L653 WeakPolarHBondContact O-CG 3.26Å; T649-L653 PolarHBondContact O-N 3.3Å
650E92.6Very high90.7Very high27 Ų2748 Ų4813%0.12626%0.263CS..Hα-helixtrans-58.4-44.2173.6-175.6175.2-141.800111.4C645 S646 N647 L652 L653 L654 Y710 S711C645-E650 HydrophobicContact CB-CB 4.24Å; C645-E650 HydrophobicContact CB-CG 3.97Å; C645-E650 WeakPolarHBondContact CB-OE2 3.41Å; S646-E650 WeakPolarHBondContact CB-OE2 3.48Å; S646-E650 PolarHBondContact N-OE2 3.17Å; S646-E650 PolarHBondContact OG-OE2 3.19Å; N647-E650 PolarHBondContact OD1-N 3.14Å; E650-L652 PolarHBondContact O-N 3.3Å; E650-L653 PolarHBondContact O-N 3.48Å; E650-L654 WeakPolarHBondContact O-CB 3.44Å; E650-L654 PolarHBondContact O-N 3.39Å; E650-Y710 HydrophobicContact CG-CD1 4.32Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.46Å; E650-S711 WeakPolarHBondContact OE1-CB 3.16Å; E650-S711 PolarHBondContact OE1-OG 3.22Å
651V94.1Very high90.7Very high0 Ų049.8 Ų49.80%027%0.27CS..Hα-helixtrans-59.1-43.1174.2171.60000112.2C645 N647 S648 T649 R655 I667 V669 L690 T692C645-V651 HydrophobicContact CB-CG2 3.54Å; N647-V651 PolarHBondContact O-N 3.24Å; S648-V651 PolarHBondContact O-N 2.88Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 3.24Å; V651-R655 WeakPolarHBondContact O-CB 3.25Å; V651-R655 PolarHBondContact O-N 3.5Å; V651-I667 HydrophobicContact CG1-CD1 3.91Å; V651-I667 HydrophobicContact CG1-CG1 4.05Å; V651-I667 HydrophobicContact CG1-CG2 3.86Å; V651-V669 HydrophobicContact CB-CG1 4.09Å; V651-V669 HydrophobicContact CG1-CG1 3.85Å; V651-V669 HydrophobicContact CG2-CG1 4.19Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.14Å; V651-L690 HydrophobicContact CG2-CB 4.5Å; V651-T692 HydrophobicContact CG2-CG2 4.09Å
652L92.2Very high90.3Very high94 Ų9451.9 Ų51.949%0.49229%0.294SS..Hα-helixtrans-70.5-39.5-179-71.3173.5000112.9S648 T649 E650 R656 I667S648-L652 WeakPolarHBondContact O-CG 3.38Å; S648-L652 PolarHBondContact O-N 3.14Å; T649-L652 PolarHBondContact O-N 2.96Å; E650-L652 PolarHBondContact O-N 3.3Å; L652-R656 WeakPolarHBondContact O-CG 3.31Å; L652-R656 PolarHBondContact O-N 2.99Å; L652-I667 HydrophobicContact CD2-CD1 4.44Å
653L91.8Very high89.8Confident97 Ų9752.9 Ų52.951%0.50830%0.299SS..Hα-helixtrans-65.1-48.7174.1-69.3172.9000110.6T649 E650 R655 R656 S657T649-L653 HydrophobicContact CG2-CD1 4.26Å; T649-L653 WeakPolarHBondContact O-CG 3.26Å; T649-L653 PolarHBondContact O-N 3.3Å; E650-L653 PolarHBondContact O-N 3.48Å; L653-R655 VanDerWaalsContact C-N 3.32Å; L653-R655 PolarHBondContact O-N 2.91Å; L653-R656 WeakPolarHBondContact O-CB 3.47Å; L653-R656 PolarHBondContact O-N 3.43Å; L653-S657 PolarHBondContact O-N 2.93Å; L653-S657 VanDerWaalsContact O-N 3.1Å; L653-S657 PolarHBondContact O-OG 2.91Å
654L91.7Very high89.1Confident5 Ų558.9 Ų58.93%0.02633%0.332CS..Hα-helixtrans-63.8-35.3-179.3-174.352.9000112.4I623 L626 M643 E650 R656 S657 L658 Y710I623-L654 HydrophobicContact CD1-CD1 3.52Å; L626-L654 HydrophobicContact CD2-CD1 4.32Å; M643-L654 HydrophobicContact SD-CD2 3.41Å; M643-L654 WeakPolarHBondContact SD-CD2 3.26Å; M643-L654 HydrophobicContact SD-CG 4.44Å; E650-L654 WeakPolarHBondContact O-CB 3.44Å; E650-L654 PolarHBondContact O-N 3.39Å; L654-R656 VanDerWaalsContact C-N 3.33Å; L654-R656 PolarHBondContact O-N 3.1Å; L654-S657 PolarHBondContact O-N 2.98Å; L654-L658 HydrophobicContact CD1-CD1 4.28Å; L654-L658 HydrophobicContact CD1-CG 4.27Å; L654-L658 HydrophobicContact CG-CD1 3.96Å; L654-L658 HydrophobicContact CG-CG 4.46Å; L654-L658 WeakPolarHBondContact O-CB 3.35Å; L654-L658 WeakPolarHBondContact O-CD1 3.24Å; L654-L658 VanDerWaalsContact O-CG 3.27Å; L654-L658 WeakPolarHBondContact O-CG 3.01Å; L654-L658 PolarHBondContact O-N 2.87Å; L654-Y710 HydrophobicContact CD1-CD2 4.32Å; L654-Y710 HydrophobicContact CD1-CE2 3.7Å; L654-Y710 HydrophobicContact CD2-CD1 4Å; L654-Y710 HydrophobicContact CD2-CD2 3.49Å; L654-Y710 VanDerWaalsContact CD2-CD2 3.49Å; L654-Y710 HydrophobicContact CD2-CE1 4.2Å; L654-Y710 HydrophobicContact CD2-CE2 3.69Å; L654-Y710 HydrophobicContact CD2-CG 3.65Å; L654-Y710 HydrophobicContact CG-CE2 4.37Å
655R90.9Very high88.7Confident93 Ų9359.2 Ų59.235%0.35133%0.334SS..Hα-helixtrans-57.7-43.8171.5-164.9-145-174.3124.16.9111.9V651 L653 L658 Q659 I667 L690V651-R655 WeakPolarHBondContact O-CB 3.25Å; V651-R655 PolarHBondContact O-N 3.5Å; L653-R655 VanDerWaalsContact C-N 3.32Å; L653-R655 PolarHBondContact O-N 2.91Å; R655-L658 PolarHBondContact O-N 3.37Å; R655-Q659 HydrophobicContact CG-CG 4.5Å; R655-Q659 WeakPolarHBondContact O-CB 3.49Å; R655-Q659 VanDerWaalsContact O-CG 3.27Å; R655-Q659 WeakPolarHBondContact O-CG 3.43Å; R655-Q659 PolarHBondContact O-N 3.41Å; R655-Q659 PolarHBondContact O-OE1 3.4Å; R655-I667 HydrophobicContact CB-CD1 3.98Å; R655-I667 HydrophobicContact CG-CD1 3.85Å; R655-L690 HydrophobicContact CB-CD1 4.05Å
656R90.6Very high88.4Confident175 Ų17561.2 Ų61.266%0.6634%0.343SS*.Hα-helixtrans-64.3-46.1178.6-66.1171.9-178.7177.30.3110.9L652 L653 L654 L658 Q659 A660L652-R656 WeakPolarHBondContact O-CG 3.31Å; L652-R656 PolarHBondContact O-N 2.99Å; L653-R656 WeakPolarHBondContact O-CB 3.47Å; L653-R656 PolarHBondContact O-N 3.43Å; L654-R656 VanDerWaalsContact C-N 3.33Å; L654-R656 PolarHBondContact O-N 3.1Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.36Å; R656-Q659 PolarHBondContact O-N 3.02Å; R656-A660 WeakPolarHBondContact O-CB 3.29Å; R656-A660 PolarHBondContact O-N 2.91Å
657S88.7Confident88.6Confident51 Ų5160 Ų6036%0.35733%0.334SS..Hα-helixtrans-59.6-42.3176-56.40000112.2L653 L654 A660 I661L653-S657 PolarHBondContact O-N 2.93Å; L653-S657 VanDerWaalsContact O-N 3.1Å; L653-S657 PolarHBondContact O-OG 2.91Å; L654-S657 PolarHBondContact O-N 2.98Å; S657-A660 PolarHBondContact O-N 3.17Å; S657-I661 PolarHBondContact O-N 2.88Å
658L87.3Confident88.7Confident0 Ų056.9 Ų56.90%032%0.317CS..Hα-helixtrans-65.5-43.8176.4-76.2165.4000112.5L626 I630 L654 R655 R656 A660 I661 G662 V663 A665 L688 L690L626-L658 HydrophobicContact CD2-CD2 3.92Å; I630-L658 HydrophobicContact CD1-CD2 4.4Å; L654-L658 HydrophobicContact CD1-CD1 4.28Å; L654-L658 HydrophobicContact CD1-CG 4.27Å; L654-L658 HydrophobicContact CG-CD1 3.96Å; L654-L658 HydrophobicContact CG-CG 4.46Å; L654-L658 WeakPolarHBondContact O-CB 3.35Å; L654-L658 WeakPolarHBondContact O-CD1 3.24Å; L654-L658 VanDerWaalsContact O-CG 3.27Å; L654-L658 WeakPolarHBondContact O-CG 3.01Å; L654-L658 PolarHBondContact O-N 2.87Å; R655-L658 PolarHBondContact O-N 3.37Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.36Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.32Å; L658-I661 HydrophobicContact CD2-CD1 4.37Å; L658-I661 CarbonylContact O-C 3.55Å; L658-I661 WeakPolarHBondContact O-CG1 3.26Å; L658-I661 PolarHBondContact O-N 3.08Å; L658-I661 VanDerWaalsContact O-N 3.17Å; L658-G662 PolarHBondContact O-N 3.02Å; L658-V663 CarbonylContact C-O 3.6Å; L658-V663 VanDerWaalsContact C-O 3.29Å; L658-V663 HydrophobicContact CB-CB 4.23Å; L658-V663 HydrophobicContact CD2-CB 3.91Å; L658-V663 HydrophobicContact CD2-CG1 3.85Å; L658-V663 HydrophobicContact CD2-CG2 4.45Å; L658-V663 PolarHBondContact O-N 3.44Å; L658-A665 HydrophobicContact CD1-CB 4.15Å; L658-L688 HydrophobicContact CD1-CD2 3.8Å; L658-L688 HydrophobicContact CD2-CD2 4.35Å; L658-L690 HydrophobicContact CD1-CD1 4.11Å; L658-L690 HydrophobicContact CD1-CD2 3.98Å
659Q87.8Confident88.6Confident88 Ų8856.1 Ų56.141%0.41131%0.31SS..Hα-helixtrans-63.7-39.1176.8-74175.4-58.900111.9R655 R656 I661 G662R655-Q659 HydrophobicContact CG-CG 4.5Å; R655-Q659 WeakPolarHBondContact O-CB 3.49Å; R655-Q659 VanDerWaalsContact O-CG 3.27Å; R655-Q659 WeakPolarHBondContact O-CG 3.43Å; R655-Q659 PolarHBondContact O-N 3.41Å; R655-Q659 PolarHBondContact O-OE1 3.4Å; R656-Q659 PolarHBondContact O-N 3.02Å; Q659-I661 PolarHBondContact O-N 3.07Å; Q659-G662 PolarHBondContact O-N 3.25Å; Q659-G662 VanDerWaalsContact O-N 3.09Å
660A86.9Confident88.4Confident88 Ų8854.4 Ų54.473%0.72730%0.301SS*.Hα-helixtrans-62.6-22.9175.700000113.7R656 S657 L658R656-A660 WeakPolarHBondContact O-CB 3.29Å; R656-A660 PolarHBondContact O-N 2.91Å; S657-A660 PolarHBondContact O-N 3.17Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.32Å
661I81.4Confident88Confident58 Ų5857.6 Ų57.630%0.29732%0.316SS..THydrogen-bonded Turntrans-104.416.317667.7168.8000113.1I623 K627 S657 L658 Q659 V663I623-I661 HydrophobicContact CG2-CD1 4.2Å; K627-I661 HydrophobicContact CD-CD1 4.24Å; K627-I661 HydrophobicContact CG-CD1 3.58Å; S657-I661 PolarHBondContact O-N 2.88Å; L658-I661 HydrophobicContact CD2-CD1 4.37Å; L658-I661 CarbonylContact O-C 3.55Å; L658-I661 WeakPolarHBondContact O-CG1 3.26Å; L658-I661 PolarHBondContact O-N 3.08Å; L658-I661 VanDerWaalsContact O-N 3.17Å; Q659-I661 PolarHBondContact O-N 3.07Å; I661-V663 HydrophobicContact CD1-CG2 4.31Å; I661-V663 HydrophobicContact CG1-CG2 4.16Å; I661-V663 PolarHBondContact O-N 3.06Å
662G80.6Confident87.5Confident59 Ų5961.9 Ų61.961%0.60835%0.351SS*.THydrogen-bonded Turntrans7419.817600000115.2L658 Q659L658-G662 PolarHBondContact O-N 3.02Å; Q659-G662 PolarHBondContact O-N 3.25Å; Q659-G662 VanDerWaalsContact O-N 3.09Å
663V81.1Confident87.1Confident20 Ų2058.7 Ų58.712%0.12134%0.337CS..  trans-102.6110.3175179.50000109.9I630 L658 I661I630-V663 HydrophobicContact CD1-CG1 4.2Å; I630-V663 HydrophobicContact CD1-CG2 4.27Å; L658-V663 CarbonylContact C-O 3.6Å; L658-V663 VanDerWaalsContact C-O 3.29Å; L658-V663 HydrophobicContact CB-CB 4.23Å; L658-V663 HydrophobicContact CD2-CB 3.91Å; L658-V663 HydrophobicContact CD2-CG1 3.85Å; L658-V663 HydrophobicContact CD2-CG2 4.45Å; L658-V663 PolarHBondContact O-N 3.44Å; I661-V663 HydrophobicContact CD1-CG2 4.31Å; I661-V663 HydrophobicContact CG1-CG2 4.16Å; I661-V663 PolarHBondContact O-N 3.06Å
664N80.8Confident86.8Confident127 Ų12757.2 Ų57.268%0.67933%0.325SS*.  trans-77.3127.6171.1-76.9-38.5000110.5
665A86.6Confident86.4Confident7 Ų760.6 Ų60.66%0.05835%0.349CS..EExtended strand (participates in β ladder)trans-128.8136.5177.300000111.4L658 L688 L690L658-A665 HydrophobicContact CD1-CB 4.15Å; A665-L688 CarbonylContact C-O 3.54Å; A665-L688 VanDerWaalsContact CA-O 3.31Å; A665-L688 WeakPolarHBondContact CA-O 3.48Å; A665-L688 HydrophobicContact CB-CB 4.15Å; A665-L688 HydrophobicContact CB-CD2 4.31Å; A665-L688 HydrophobicContact CB-CG 4.36Å; A665-L690 HydrophobicContact CB-CD1 4.1Å; A665-L690 HydrophobicContact CB-CD2 4.39Å; A665-L690 HydrophobicContact CB-CG 3.96Å
666H89.3Confident86Confident41 Ų4158.5 Ų58.519%0.1935%0.345CS..EExtended strand (participates in β ladder)trans-83.2160171.8-71.7-97000110.1W680 Q683 S684 L688 L689 L690H666-W680 HydrophobicContact CB-CB 3.97Å; H666-W680 HydrophobicContact CB-CG 4.25Å; H666-W680 AromaticContact CD2-CD1 3.64Å; H666-Q683 PolarHBondContact CE1-OE1 3Å; H666-S684 WeakPolarHBondContact NE2-CB 3.25Å; H666-S684 PolarHBondContact NE2-OG 2.79Å; H666-L688 PolarHBondContact N-O 2.98Å; H666-L689 HydrophobicContact CB-CD1 3.82Å; H666-L690 PolarHBondContact O-N 2.73Å
667I91.9Very high85.8Confident17 Ų1750.5 Ų50.59%0.08732%0.315CS..EExtended strand (participates in β ladder)trans-132.4134.7-174.7-66.2-175.3000111.3V651 L652 R655 V669 N676 L690V651-I667 HydrophobicContact CG1-CD1 3.91Å; V651-I667 HydrophobicContact CG1-CG1 4.05Å; V651-I667 HydrophobicContact CG1-CG2 3.86Å; L652-I667 HydrophobicContact CD2-CD1 4.44Å; R655-I667 HydrophobicContact CB-CD1 3.98Å; R655-I667 HydrophobicContact CG-CD1 3.85Å; I667-V669 HydrophobicContact CG2-CG1 3.74Å; I667-V669 HydrophobicContact CG2-CG2 4.5Å; I667-N676 WeakPolarHBondContact O-CB 3.47Å; I667-N676 PolarHBondContact O-ND2 3.45Å; I667-L690 WeakPolarHBondContact CA-O 3.33Å; I667-L690 HydrophobicContact CG1-CB 4.38Å; I667-L690 HydrophobicContact CG1-CD1 4.4Å
668C91.4Very high85.4Confident0 Ų051 Ų510%032%0.322CS..EExtended strand (participates in β ladder)trans-137100.1165.1-176.80000110.4C673 V677 L689 L690 V691 V695C668-C673 HydrophobicContact CB-CB 4.19Å; C668-V677 HydrophobicContact CB-CG2 4Å; C668-L689 HydrophobicContact CB-CD1 4.39Å; C668-L690 PolarHBondContact N-O 2.86Å; C668-V691 HydrophobicContact CB-CG1 4.15Å; C668-V691 WeakPolarHBondContact O-CA 3.34Å; C668-V695 WeakPolarHBondContact O-CG2 3.32Å
669V90.3Very high85.1Confident44 Ų4454 Ų5427%0.26734%0.336SS..  trans-107-9.7-179.3-64.50000114.4V651 I667 T692V651-V669 HydrophobicContact CB-CG1 4.09Å; V651-V669 HydrophobicContact CG1-CG1 3.85Å; V651-V669 HydrophobicContact CG2-CG1 4.19Å; I667-V669 HydrophobicContact CG2-CG1 3.74Å; I667-V669 HydrophobicContact CG2-CG2 4.5Å; V669-T692 HydrophobicContact CB-CG2 4.35Å; V669-T692 HydrophobicContact CG1-CG2 4.1Å; V669-T692 PolarHBondContact O-OG1 3.48Å
670S88.9Confident85.1Confident51 Ų5149.9 Ų49.936%0.35732%0.317SS..SBendtrans-150.5168177.7710000110.6A672 C673S670-A672 PolarHBondContact O-N 2.81Å; S670-C673 WeakPolarHBondContact O-CB 3.41Å; S670-C673 PolarHBondContact O-N 3.26Å
671E83.5Confident84.7Confident95 Ų9549.4 Ų49.444%0.44430%0.302SS..G310 helixtrans-62-28.8-179.3-53.4-145.1109.100113.2C673 Y674 R698E671-C673 PolarHBondContact O-N 3.09Å; E671-Y674 HydrophobicContact CB-CD2 3.97Å; E671-Y674 HydrophobicContact CB-CE2 3.46Å; E671-Y674 VanDerWaalsContact CB-CE2 3.46Å; E671-Y674 HydrophobicContact CG-CE2 3.7Å; E671-Y674 WeakPolarHBondContact CG-OH 3.36Å; E671-Y674 WeakPolarHBondContact O-CD2 3.48Å; E671-Y674 PolarHBondContact O-N 3.13Å; E671-Y674 VanDerWaalsContact O-N 3.15Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.4Å; E671-Y674 PolarHBondContact OE1-OH 3.28Å; E671-R698 WeakPolarHBondContact OE1-CD 3.43Å; E671-R698 IonicContact OE1-CZ 2.84Å; E671-R698 IonicContact OE1-NE 3.61Å; E671-R698 IonicContact OE1-NH1 3.86Å; E671-R698 PolarHBondContact OE1-NH1 2.85Å; E671-R698 IonicContact OE2-CZ 3.78Å; E671-R698 IonicContact OE2-NH1 3.82Å; E671-R698 PolarHBondContact OE2-NH1 3.08Å
672A83.4Confident84.5Confident89 Ų8954.3 Ų54.374%0.73632%0.317SS*.G310 helixtrans-63.2-19.2174.200000112.9S670S670-A672 PolarHBondContact O-N 2.81Å
673C84.7Confident84Confident27 Ų2756.4 Ų56.418%0.18231%0.31CS..G310 helixtrans-936.2177.3-570000114C668 S670 E671 S675 N676C668-C673 HydrophobicContact CB-CB 4.19Å; S670-C673 WeakPolarHBondContact O-CB 3.41Å; S670-C673 PolarHBondContact O-N 3.26Å; E671-C673 PolarHBondContact O-N 3.09Å; C673-S675 PolarHBondContact O-N 2.83Å; C673-N676 VanDerWaalsContact O-CB 3.22Å; C673-N676 WeakPolarHBondContact O-CB 3.48Å; C673-N676 PolarHBondContact O-N 3.25Å
674Y85.8Confident83.1Confident66 Ų6656.7 Ų56.726%0.25931%0.314SS..Hα-helixtrans-62.9-24.3179.6-70.2-38.1000113.5E671 N676 V677 V695 R698 L699E671-Y674 HydrophobicContact CB-CD2 3.97Å; E671-Y674 HydrophobicContact CB-CE2 3.46Å; E671-Y674 VanDerWaalsContact CB-CE2 3.46Å; E671-Y674 HydrophobicContact CG-CE2 3.7Å; E671-Y674 WeakPolarHBondContact CG-OH 3.36Å; E671-Y674 WeakPolarHBondContact O-CD2 3.48Å; E671-Y674 PolarHBondContact O-N 3.13Å; E671-Y674 VanDerWaalsContact O-N 3.15Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.4Å; E671-Y674 PolarHBondContact OE1-OH 3.28Å; Y674-N676 VanDerWaalsContact C-N 3.25Å; Y674-N676 PolarHBondContact O-N 3.41Å; Y674-V677 WeakPolarHBondContact O-CB 3.36Å; Y674-V677 PolarHBondContact O-N 3.34Å; Y674-V677 VanDerWaalsContact O-N 3.15Å; Y674-V695 HydrophobicContact CE1-CB 4.08Å; Y674-V695 HydrophobicContact CE1-CG1 4.29Å; Y674-R698 WeakPolarHBondContact OH-CB 3.38Å; Y674-L699 HydrophobicContact CD1-CD1 4.01Å; Y674-L699 HydrophobicContact CE1-CD1 3.96Å
675S82.8Confident82Confident76 Ų7653.6 Ų53.653%0.53130%0.3SS..Hα-helixtrans-54.5-41.1168.844.40000112.4C673 V677 A678 E679C673-S675 PolarHBondContact O-N 2.83Å; S675-V677 PolarHBondContact O-N 3.09Å; S675-A678 PolarHBondContact O-N 3.48Å; S675-A678 VanDerWaalsContact O-N 3.11Å; S675-E679 PolarHBondContact O-N 2.85Å
676N82.9Confident80.8Confident50 Ų5057.1 Ų57.127%0.26732%0.324SS..Hα-helixtrans-62.6-25.7-179.4-53.1-0.2000111.8I667 C673 Y674 E679 W680I667-N676 WeakPolarHBondContact O-CB 3.47Å; I667-N676 PolarHBondContact O-ND2 3.45Å; C673-N676 VanDerWaalsContact O-CB 3.22Å; C673-N676 WeakPolarHBondContact O-CB 3.48Å; C673-N676 PolarHBondContact O-N 3.25Å; Y674-N676 VanDerWaalsContact C-N 3.25Å; Y674-N676 PolarHBondContact O-N 3.41Å; N676-E679 PolarHBondContact O-N 3.21Å; N676-W680 VanDerWaalsContact O-CB 3.29Å; N676-W680 WeakPolarHBondContact O-CB 3.33Å; N676-W680 PolarHBondContact O-N 2.65Å
677V85.5Confident80.2Confident7 Ų755.7 Ų55.74%0.04232%0.321CS..Hα-helixtrans-72.9-42.1177-170.90000110.5C668 Y674 S675 E679 W680 L681 L689 L699C668-V677 HydrophobicContact CB-CG2 4Å; Y674-V677 WeakPolarHBondContact O-CB 3.36Å; Y674-V677 PolarHBondContact O-N 3.34Å; Y674-V677 VanDerWaalsContact O-N 3.15Å; S675-V677 PolarHBondContact O-N 3.09Å; V677-E679 PolarHBondContact O-N 2.98Å; V677-W680 HydrophobicContact CG1-CE3 4.01Å; V677-W680 HydrophobicContact CG1-CZ3 4.28Å; V677-L681 HydrophobicContact CG1-CD1 4.38Å; V677-L681 WeakPolarHBondContact O-CB 3.48Å; V677-L681 VanDerWaalsContact O-CG 3.29Å; V677-L681 WeakPolarHBondContact O-CG 3.35Å; V677-L681 PolarHBondContact O-N 3.35Å; V677-L681 VanDerWaalsContact O-N 3.07Å; V677-L689 HydrophobicContact CG1-CD2 4.37Å; V677-L689 HydrophobicContact CG2-CD2 4.38Å; V677-L699 HydrophobicContact CG2-CD1 3.73Å
678A81.3Confident79.9Confident60 Ų6055.4 Ų55.450%0.49632%0.32SS..Hα-helixtrans-73.3-12.2173.700000113.2S675 R682S675-A678 PolarHBondContact O-N 3.48Å; S675-A678 VanDerWaalsContact O-N 3.11Å; A678-R682 WeakPolarHBondContact O-CB 3.39Å; A678-R682 PolarHBondContact O-NE 3.29Å
679E81.2Confident80Confident65 Ų6555.4 Ų55.430%0.30432%0.32SS..Hα-helixtrans-86.6-50.7169.3-176.9144.6-106.200112.4S675 N676 V677 L681 R682 Q683S675-E679 PolarHBondContact O-N 2.85Å; N676-E679 PolarHBondContact O-N 3.21Å; V677-E679 PolarHBondContact O-N 2.98Å; E679-L681 VanDerWaalsContact C-N 3.34Å; E679-L681 PolarHBondContact O-N 2.64Å; E679-R682 VanDerWaalsContact CA-NH2 3.34Å; E679-R682 CarbonylContact O-C 3.5Å; E679-R682 WeakPolarHBondContact O-CA 3.39Å; E679-R682 PolarHBondContact O-N 3.01Å; E679-R682 IonicContact OE1-CZ 3.66Å; E679-R682 IonicContact OE1-NH1 2.65Å; E679-R682 IonicContact OE1-NH2 3.95Å; E679-R682 PolarHBondContact OE1-NH2 3.44Å; E679-Q683 HydrophobicContact CG-CG 4.2Å; E679-Q683 PolarHBondContact O-N 3.24Å; E679-Q683 PolarHBondContact OE1-NE2 3.41Å
680W85.8Confident80.1Confident0 Ų053.3 Ų53.30%031%0.307CS..Hα-helixtrans-49.5-51.7172.3166.161000112.2P640 V642 H666 N676 V677 R682 S684 G687 L689 C701 I704P640-W680 HydrophobicContact CB-CH2 4.06Å; P640-W680 HydrophobicContact CB-CZ2 3.62Å; V642-W680 HydrophobicContact CG2-CH2 3.63Å; V642-W680 HydrophobicContact CG2-CZ2 4.19Å; V642-W680 HydrophobicContact CG2-CZ3 4.42Å; H666-W680 HydrophobicContact CB-CB 3.97Å; H666-W680 HydrophobicContact CB-CG 4.25Å; H666-W680 AromaticContact CD2-CD1 3.64Å; N676-W680 VanDerWaalsContact O-CB 3.29Å; N676-W680 WeakPolarHBondContact O-CB 3.33Å; N676-W680 PolarHBondContact O-N 2.65Å; V677-W680 HydrophobicContact CG1-CE3 4.01Å; V677-W680 HydrophobicContact CG1-CZ3 4.28Å; W680-R682 PolarHBondContact O-N 3.47Å; W680-R682 VanDerWaalsContact O-N 3.09Å; W680-S684 CarbonylContact O-C 3.46Å; W680-S684 VanDerWaalsContact O-C 3.31Å; W680-S684 WeakPolarHBondContact O-CA 3.43Å; W680-S684 PolarHBondContact O-N 3.17Å; W680-G687 PolarHBondContact NE1-O 2.86Å; W680-L689 HydrophobicContact CD2-CB 3.83Å; W680-L689 HydrophobicContact CD2-CD1 4.4Å; W680-L689 HydrophobicContact CD2-CD2 4.27Å; W680-L689 HydrophobicContact CD2-CG 4.38Å; W680-L689 HydrophobicContact CE3-CB 4.18Å; W680-L689 HydrophobicContact CE3-CD2 3.79Å; W680-L689 HydrophobicContact CE3-CG 4.38Å; W680-L689 HydrophobicContact CG-CB 4.32Å; W680-L689 HydrophobicContact CG-CD1 4.41Å; W680-L689 HydrophobicContact CH2-CB 4.18Å; W680-L689 HydrophobicContact CH2-CD2 4.27Å; W680-L689 HydrophobicContact CZ2-CB 3.81Å; W680-L689 HydrophobicContact CZ3-CB 4.36Å; W680-L689 HydrophobicContact CZ3-CD2 3.8Å; W680-C701 HydrophobicContact CH2-CB 4.18Å; W680-C701 HydrophobicContact CZ3-CB 3.88Å; W680-I704 HydrophobicContact CH2-CG2 4.28Å
681L79.9Confident80.4Confident79 Ų7950.9 Ų50.941%0.41429%0.29SS..Hα-helixtrans-62-17178.1-71.6172.2000114.6V677 E679 C701V677-L681 HydrophobicContact CG1-CD1 4.38Å; V677-L681 WeakPolarHBondContact O-CB 3.48Å; V677-L681 VanDerWaalsContact O-CG 3.29Å; V677-L681 WeakPolarHBondContact O-CG 3.35Å; V677-L681 PolarHBondContact O-N 3.35Å; V677-L681 VanDerWaalsContact O-N 3.07Å; E679-L681 VanDerWaalsContact C-N 3.34Å; E679-L681 PolarHBondContact O-N 2.64Å; L681-C701 WeakPolarHBondContact CD2-O 3.33Å
682R77.1Confident81Confident161 Ų16146.6 Ų46.661%0.60827%0.27SS*.Hα-helixtrans-107-33.1-174168.9172.647.888.62113A678 E679 W680A678-R682 WeakPolarHBondContact O-CB 3.39Å; A678-R682 PolarHBondContact O-NE 3.29Å; E679-R682 VanDerWaalsContact CA-NH2 3.34Å; E679-R682 CarbonylContact O-C 3.5Å; E679-R682 WeakPolarHBondContact O-CA 3.39Å; E679-R682 PolarHBondContact O-N 3.01Å; E679-R682 IonicContact OE1-CZ 3.66Å; E679-R682 IonicContact OE1-NH1 2.65Å; E679-R682 IonicContact OE1-NH2 3.95Å; E679-R682 PolarHBondContact OE1-NH2 3.44Å; W680-R682 PolarHBondContact O-N 3.47Å; W680-R682 VanDerWaalsContact O-N 3.09Å
683Q68.9Low81.4Confident102 Ų10242.5 Ų42.548%0.47724%0.236SC..Hα-helixtrans-103.3-22-177.8-70.4174.7-5.400113.5H666 E679H666-Q683 PolarHBondContact CE1-OE1 3Å; E679-Q683 HydrophobicContact CG-CG 4.2Å; E679-Q683 PolarHBondContact O-N 3.24Å; E679-Q683 PolarHBondContact OE1-NE2 3.41Å
684S63.2Low81.7Confident27 Ų2745.9 Ų45.919%0.18925%0.252CS..  trans-145.867.4-167.7-54.40000111.4H666 W680 S686 G687H666-S684 WeakPolarHBondContact NE2-CB 3.25Å; H666-S684 PolarHBondContact NE2-OG 2.79Å; W680-S684 CarbonylContact O-C 3.46Å; W680-S684 VanDerWaalsContact O-C 3.31Å; W680-S684 WeakPolarHBondContact O-CA 3.43Å; W680-S684 PolarHBondContact O-N 3.17Å; S684-S686 PolarHBondContact O-N 2.75Å; S684-S686 VanDerWaalsContact O-N 3.16Å; S684-G687 WeakPolarHBondContact O-CA 3.28Å; S684-G687 PolarHBondContact O-N 3.31Å
685P57Low82Confident61 Ų6142.8 Ų42.840%0.39624%0.24SC..THydrogen-bonded Turntrans-62.4-21179.226.3-35.2000113.8N638 E639 P640N638-P685 CarbonylContact C-O 3.56Å; E639-P685 CarbonylContact C-O 3.29Å; E639-P685 VanDerWaalsContact C-O 3.29Å; P640-P685 WeakPolarHBondContact CA-O 3.35Å; P640-P685 WeakPolarHBondContact CB-O 3.32Å; P640-P685 WeakPolarHBondContact CD-O 3.35Å; P640-P685 VanDerWaalsContact N-O 3.09Å
686S62.8Low82.5Confident81 Ų8139.3 Ų39.357%0.56622%0.215SC*.THydrogen-bonded Turntrans-101.511.6170.350.20000113.7S684S684-S686 PolarHBondContact O-N 2.75Å; S684-S686 VanDerWaalsContact O-N 3.16Å
687G75Confident82.6Confident11 Ų1140.8 Ų40.811%0.11323%0.228CC..  trans-84.6156.7-174.600000113.5A641 W680 S684A641-G687 PolarHBondContact N-O 2.74Å; W680-G687 PolarHBondContact NE1-O 2.86Å; S684-G687 WeakPolarHBondContact O-CA 3.28Å; S684-G687 PolarHBondContact O-N 3.31Å
688L87.2Confident82.6Confident12 Ų1248.2 Ų48.26%0.06326%0.255CS..EExtended strand (participates in β ladder)trans-89.7133.2172.9-175.862.8000110.8A641 M643 L658 A665 H666 L690A641-L688 HydrophobicContact CB-CD1 3.79Å; M643-L688 HydrophobicContact CB-CD1 3.99Å; M643-L688 HydrophobicContact CE-CD1 4.31Å; M643-L688 HydrophobicContact CE-CD2 3.95Å; L658-L688 HydrophobicContact CD1-CD2 3.8Å; L658-L688 HydrophobicContact CD2-CD2 4.35Å; A665-L688 CarbonylContact C-O 3.54Å; A665-L688 VanDerWaalsContact CA-O 3.31Å; A665-L688 WeakPolarHBondContact CA-O 3.48Å; A665-L688 HydrophobicContact CB-CB 4.15Å; A665-L688 HydrophobicContact CB-CD2 4.31Å; A665-L688 HydrophobicContact CB-CG 4.36Å; H666-L688 PolarHBondContact N-O 2.98Å; L688-L690 HydrophobicContact CD2-CD2 3.83Å; L688-L690 HydrophobicContact CG-CD2 3.99Å
689L91.8Very high82.9Confident0 Ų046.2 Ų46.20%024%0.236CC..EExtended strand (participates in β ladder)trans-108.1119.5169.7-178.372.7000110.4A641 V642 M643 H666 C668 V677 W680 V691A641-L689 PolarHBondContact O-N 2.81Å; V642-L689 HydrophobicContact CG2-CB 4.48Å; V642-L689 HydrophobicContact CG2-CD2 4.43Å; M643-L689 PolarHBondContact N-O 3.16Å; H666-L689 HydrophobicContact CB-CD1 3.82Å; C668-L689 HydrophobicContact CB-CD1 4.39Å; V677-L689 HydrophobicContact CG1-CD2 4.37Å; V677-L689 HydrophobicContact CG2-CD2 4.38Å; W680-L689 HydrophobicContact CD2-CB 3.83Å; W680-L689 HydrophobicContact CD2-CD1 4.4Å; W680-L689 HydrophobicContact CD2-CD2 4.27Å; W680-L689 HydrophobicContact CD2-CG 4.38Å; W680-L689 HydrophobicContact CE3-CB 4.18Å; W680-L689 HydrophobicContact CE3-CD2 3.79Å; W680-L689 HydrophobicContact CE3-CG 4.38Å; W680-L689 HydrophobicContact CG-CB 4.32Å; W680-L689 HydrophobicContact CG-CD1 4.41Å; W680-L689 HydrophobicContact CH2-CB 4.18Å; W680-L689 HydrophobicContact CH2-CD2 4.27Å; W680-L689 HydrophobicContact CZ2-CB 3.81Å; W680-L689 HydrophobicContact CZ3-CB 4.36Å; W680-L689 HydrophobicContact CZ3-CD2 3.8Å; L689-V691 HydrophobicContact CD2-CG1 3.75Å; L689-V691 HydrophobicContact CG-CG1 3.74Å
690L94Very high83.1Confident0 Ų051.7 Ų51.70%026%0.259CS..EExtended strand (participates in β ladder)trans-90.9128.7172.8-49.3-179.9000110.3M643 V651 R655 L658 A665 H666 I667 C668 L688M643-L690 HydrophobicContact CB-CD2 4.01Å; M643-L690 HydrophobicContact CG-CD2 4.28Å; M643-L690 HydrophobicContact SD-CD2 3.7Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.14Å; V651-L690 HydrophobicContact CG2-CB 4.5Å; R655-L690 HydrophobicContact CB-CD1 4.05Å; L658-L690 HydrophobicContact CD1-CD1 4.11Å; L658-L690 HydrophobicContact CD1-CD2 3.98Å; A665-L690 HydrophobicContact CB-CD1 4.1Å; A665-L690 HydrophobicContact CB-CD2 4.39Å; A665-L690 HydrophobicContact CB-CG 3.96Å; H666-L690 PolarHBondContact O-N 2.73Å; I667-L690 WeakPolarHBondContact CA-O 3.33Å; I667-L690 HydrophobicContact CG1-CB 4.38Å; I667-L690 HydrophobicContact CG1-CD1 4.4Å; C668-L690 PolarHBondContact N-O 2.86Å; L688-L690 HydrophobicContact CD2-CD2 3.83Å; L688-L690 HydrophobicContact CG-CD2 3.99Å
691V95.5Very high82.9Confident0 Ų051.9 Ų51.90%026%0.26CS..EExtended strand (participates in β ladder)trans-137.6162.6-179.4-53.30000113V642 M643 V644 C645 C668 L689 V695 V696 L699V642-V691 HydrophobicContact CG1-CG1 4.4Å; V642-V691 HydrophobicContact CG1-CG2 3.92Å; M643-V691 PolarHBondContact O-N 2.93Å; V644-V691 WeakPolarHBondContact CA-O 3.4Å; V644-V691 HydrophobicContact CB-CG2 4.25Å; V644-V691 HydrophobicContact CG1-CG2 4.22Å; V644-V691 HydrophobicContact CG2-CG2 3.81Å; C645-V691 PolarHBondContact N-O 2.9Å; C668-V691 HydrophobicContact CB-CG1 4.15Å; C668-V691 WeakPolarHBondContact O-CA 3.34Å; L689-V691 HydrophobicContact CD2-CG1 3.75Å; L689-V691 HydrophobicContact CG-CG1 3.74Å; V691-V695 HydrophobicContact CB-CG2 3.8Å; V691-V695 HydrophobicContact CG1-CG2 4.34Å; V691-V696 HydrophobicContact CG2-CG2 4.31Å; V691-L699 HydrophobicContact CB-CD2 4.47Å; V691-L699 HydrophobicContact CG1-CD2 3.89Å; V691-L699 HydrophobicContact CG2-CD2 4.4Å
692T94.7Very high83.1Confident4 Ų450 Ų503%0.02526%0.259CS..EExtended strand (participates in β ladder)trans-101.7159.6169.451.70000111.4N647 V651 V669 D694 V695N647-T692 VanDerWaalsContact C-CG2 3.45Å; V651-T692 HydrophobicContact CG2-CG2 4.09Å; V669-T692 HydrophobicContact CB-CG2 4.35Å; V669-T692 HydrophobicContact CG1-CG2 4.1Å; V669-T692 PolarHBondContact O-OG1 3.48Å; T692-D694 PolarHBondContact O-N 2.9Å; T692-D694 VanDerWaalsContact O-N 3.08Å; T692-V695 VanDerWaalsContact O-CG2 3.28Å; T692-V695 WeakPolarHBondContact O-CG2 3.4Å; T692-V695 PolarHBondContact O-N 3.3Å
693D93.1Very high83.5Confident4 Ų447.4 Ų47.42%0.02125%0.252CS..THydrogen-bonded Turntrans-56-21.5174.3-81.8-61.1000114.4A713 R722D693-A713 WeakPolarHBondContact OD2-CB 3.4Å; D693-R722 WeakPolarHBondContact OD1-CG 3.13Å; D693-R722 IonicContact OD1-CZ 3.52Å; D693-R722 IonicContact OD1-NE 3.45Å; D693-R722 PolarHBondContact OD1-NE 2.93Å; D693-R722 IonicContact OD1-NH2 3.59Å; D693-R722 IonicContact OD2-CZ 3.53Å; D693-R722 IonicContact OD2-NE 2.74Å; D693-R722 PolarHBondContact OD2-NE 2.87Å; D693-R722 IonicContact OD2-NH2 2.75Å; D693-R722 PolarHBondContact OD2-NH2 2.68Å
694D91.2Very high84.3Confident97 Ų9742.6 Ų42.652%0.51923%0.23SC..THydrogen-bonded Turntrans-76.2-30.9-176.4-62.5-68.4000114.3T692 P697 R718T692-D694 PolarHBondContact O-N 2.9Å; T692-D694 VanDerWaalsContact O-N 3.08Å; D694-P697 WeakPolarHBondContact O-CD 3.25Å; D694-R718 IonicContact OD1-CZ 3.82Å; D694-R718 VanDerWaalsContact OD1-CZ 3.24Å; D694-R718 IonicContact OD1-NH1 3.08Å; D694-R718 PolarHBondContact OD1-NH1 2.99Å; D694-R718 IonicContact OD1-NH2 3.84Å; D694-R718 PolarHBondContact OD1-NH2 3.47Å; D694-R718 IonicContact OD2-NH2 3.01Å; D694-R718 PolarHBondContact OD2-NH2 2.9Å
695V92.1Very high85.4Confident2 Ų242.7 Ų42.71%0.01223%0.23CC..THydrogen-bonded Turntrans-83.9-27.2177.2-67.50000112.7C668 Y674 V691 T692 R698 L699C668-V695 WeakPolarHBondContact O-CG2 3.32Å; Y674-V695 HydrophobicContact CE1-CB 4.08Å; Y674-V695 HydrophobicContact CE1-CG1 4.29Å; V691-V695 HydrophobicContact CB-CG2 3.8Å; V691-V695 HydrophobicContact CG1-CG2 4.34Å; T692-V695 VanDerWaalsContact O-CG2 3.28Å; T692-V695 WeakPolarHBondContact O-CG2 3.4Å; T692-V695 PolarHBondContact O-N 3.3Å; V695-R698 PolarHBondContact O-N 2.73Å; V695-L699 WeakPolarHBondContact O-CB 3.2Å; V695-L699 PolarHBondContact O-N 3.39Å; V695-L699 VanDerWaalsContact O-N 3.1Å
696V91.8Very high87Confident2 Ų240.1 Ų40.11%0.01221%0.213CC..G310 helixtrans-45.7-46.8-177169.70000114.3V644 V691 R698 L699 N721 L725V644-V696 HydrophobicContact CG1-CG2 4.27Å; V644-V696 HydrophobicContact CG2-CG2 4.44Å; V691-V696 HydrophobicContact CG2-CG2 4.31Å; V696-R698 PolarHBondContact O-N 2.67Å; V696-L699 PolarHBondContact O-N 2.86Å; V696-N721 WeakPolarHBondContact CG1-O 3.47Å; V696-L725 HydrophobicContact CG1-CG 4.47Å
697P86.4Confident88.4Confident81 Ų8136.3 Ų36.353%0.52619%0.186SC..G310 helixtrans-62.2-14.3-173.7-20.331.4000115.6D694D694-P697 WeakPolarHBondContact O-CD 3.25Å
698R85.3Confident89.4Confident164 Ų16435.8 Ų35.862%0.61918%0.181SC*.G310 helixtrans-126.8-5.5-179.3-71.3171173.2-169.81.6113.1E671 Y674 V695 V696E671-R698 WeakPolarHBondContact OE1-CD 3.43Å; E671-R698 IonicContact OE1-CZ 2.84Å; E671-R698 IonicContact OE1-NE 3.61Å; E671-R698 IonicContact OE1-NH1 3.86Å; E671-R698 PolarHBondContact OE1-NH1 2.85Å; E671-R698 IonicContact OE2-CZ 3.78Å; E671-R698 IonicContact OE2-NH1 3.82Å; E671-R698 PolarHBondContact OE2-NH1 3.08Å; Y674-R698 WeakPolarHBondContact OH-CB 3.38Å; V695-R698 PolarHBondContact O-N 2.73Å; V696-R698 PolarHBondContact O-N 2.67Å
699L88Confident89.8Confident17 Ų1735.2 Ų35.29%0.08918%0.178CC..  trans-65.9136.7-176.9-162.769.2000111.2Y674 V677 V691 V695 V696 C701 L725Y674-L699 HydrophobicContact CD1-CD1 4.01Å; Y674-L699 HydrophobicContact CE1-CD1 3.96Å; V677-L699 HydrophobicContact CG2-CD1 3.73Å; V691-L699 HydrophobicContact CB-CD2 4.47Å; V691-L699 HydrophobicContact CG1-CD2 3.89Å; V691-L699 HydrophobicContact CG2-CD2 4.4Å; V695-L699 WeakPolarHBondContact O-CB 3.2Å; V695-L699 PolarHBondContact O-N 3.39Å; V695-L699 VanDerWaalsContact O-N 3.1Å; V696-L699 PolarHBondContact O-N 2.86Å; L699-C701 WeakPolarHBondContact CD2-SG 3.39Å; L699-L725 HydrophobicContact CB-CD2 4.03Å; L699-L725 HydrophobicContact CD2-CD2 3.89Å; L699-L725 HydrophobicContact CG-CD2 4.31Å
700K85Confident89.9Confident181 Ų18135.7 Ų35.779%0.78718%0.179SC*.  trans-124.774.9-177.4-67.7178.8-176173.70111.2G702K700-G702 PolarHBondContact O-N 2.97Å
701C81.9Confident89.8Confident4 Ų436.7 Ų36.73%0.02719%0.187CC..  trans-74.91.1-178.2-64.60000115.4V642 W680 L681 L699 I704V642-C701 HydrophobicContact CG2-CB 4.27Å; W680-C701 HydrophobicContact CH2-CB 4.18Å; W680-C701 HydrophobicContact CZ3-CB 3.88Å; L681-C701 WeakPolarHBondContact CD2-O 3.33Å; L699-C701 WeakPolarHBondContact CD2-SG 3.39Å; C701-I704 HydrophobicContact CB-CG2 3.65Å
702G83.4Confident89.7Confident38 Ų3837.3 Ų37.339%0.39219%0.189SC..  trans65.5-148.1-165.800000110.8K700 A728K700-G702 PolarHBondContact O-N 2.97Å; G702-A728 WeakPolarHBondContact O-CB 3.19Å
703K85.2Confident89.5Confident108 Ų10837.3 Ų37.347%0.4719%0.19SC..  trans-82.7131176.4-65.7-170.7176.2-176.70110.7A728 N729 S732K703-A728 HydrophobicContact CG-CB 4.35Å; K703-N729 VanDerWaalsContact CA-OD1 3.26Å; K703-N729 WeakPolarHBondContact CA-OD1 3.42Å; K703-S732 VanDerWaalsContact NZ-CB 3.33Å; K703-S732 PolarHBondContact NZ-OG 3.44Å
704I86.8Confident89.3Confident0 Ų041.9 Ų41.90%022%0.222CC..  trans-122.9109.8-179.853.6141000112.1V642 W680 C701 L706 L707 L725 F726 N729V642-I704 HydrophobicContact CG2-CD1 4.46Å; V642-I704 HydrophobicContact CG2-CG2 3.76Å; W680-I704 HydrophobicContact CH2-CG2 4.28Å; C701-I704 HydrophobicContact CB-CG2 3.65Å; I704-L706 PolarHBondContact O-N 3.49Å; I704-L707 HydrophobicContact CD1-CB 4.23Å; I704-L707 HydrophobicContact CD1-CD1 4.38Å; I704-L725 HydrophobicContact CD1-CB 3.59Å; I704-L725 HydrophobicContact CG1-CB 4.24Å; I704-F726 HydrophobicContact CD1-CD1 4.1Å; I704-F726 HydrophobicContact CD1-CE1 4Å; I704-F726 HydrophobicContact CG1-CD1 4.13Å; I704-F726 HydrophobicContact CG1-CE1 4.33Å; I704-F726 WeakPolarHBondContact O-CE1 3.44Å; I704-N729 PolarHBondContact N-OD1 3.23Å; I704-N729 PolarHBondContact O-ND2 3.3Å
705P85.9Confident89.2Confident29 Ų2942 Ų4219%0.18822%0.221CC..SBendtrans-67.6-19.2177.825.2-34.6000113.9E639 P640 G739 Q740E639-P705 HydrophobicContact CB-CG 3.66Å; E639-P705 HydrophobicContact CG-CB 4.47Å; E639-P705 HydrophobicContact CG-CG 3.88Å; P640-P705 VanDerWaalsContact O-CD 3.29Å; P640-P705 WeakPolarHBondContact O-CD 3.24Å; P705-G739 CarbonylContact O-C 3.31Å; P705-G739 VanDerWaalsContact O-CA 3.31Å; P705-G739 WeakPolarHBondContact O-CA 3.33Å; P705-Q740 PolarHBondContact O-N 3.07Å
706L89.1Confident89.3Confident8 Ų844.3 Ų44.34%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-140.2127.8-172.8175.159.8000112.5L629 R633 A641 V642 I704 I708 Q740 V742L629-L706 HydrophobicContact CD2-CD1 4.5Å; L629-L706 HydrophobicContact CD2-CD2 3.72Å; R633-L706 HydrophobicContact CG-CD2 4.21Å; A641-L706 HydrophobicContact CB-CB 4.27Å; A641-L706 HydrophobicContact CB-CD2 3.86Å; A641-L706 HydrophobicContact CB-CG 4.16Å; V642-L706 PolarHBondContact N-O 3.06Å; V642-L706 VanDerWaalsContact N-O 3.1Å; I704-L706 PolarHBondContact O-N 3.49Å; L706-I708 HydrophobicContact CD1-CG1 4.05Å; L706-I708 HydrophobicContact CD2-CD1 4.32Å; L706-I708 HydrophobicContact CD2-CG1 4.48Å; L706-I708 HydrophobicContact CG-CD1 4.46Å; L706-I708 HydrophobicContact CG-CG1 4.11Å; L706-Q740 WeakPolarHBondContact CA-O 3.48Å; L706-Q740 HydrophobicContact CD1-CB 4.47Å; L706-V742 HydrophobicContact CD1-CG2 4.1Å
707L94.1Very high89.2Confident0 Ų047.6 Ų47.60%026%0.257CS..EExtended strand (participates in β ladder)trans-121.5122.2172.4-176.862.3000110V642 V644 I704 H709 R722 L725 F726 Q740 S741 V742V642-L707 HydrophobicContact CB-CD1 4.22Å; V642-L707 HydrophobicContact CG1-CD1 4.3Å; V642-L707 CarbonylContact O-C 3.5Å; V642-L707 WeakPolarHBondContact O-CA 3.27Å; V644-L707 HydrophobicContact CG2-CD1 3.85Å; I704-L707 HydrophobicContact CD1-CB 4.23Å; I704-L707 HydrophobicContact CD1-CD1 4.38Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.42Å; L707-R722 HydrophobicContact CD2-CB 4.35Å; L707-R722 WeakPolarHBondContact CD2-O 3.43Å; L707-L725 HydrophobicContact CD1-CD1 3.74Å; L707-F726 HydrophobicContact CB-CE1 4.23Å; L707-F726 HydrophobicContact CB-CE2 3.85Å; L707-F726 HydrophobicContact CB-CZ 3.42Å; L707-F726 VanDerWaalsContact CB-CZ 3.42Å; L707-F726 HydrophobicContact CD2-CD2 4.33Å; L707-F726 HydrophobicContact CD2-CE2 3.64Å; L707-F726 HydrophobicContact CD2-CZ 4.13Å; L707-F726 HydrophobicContact CG-CE2 4.41Å; L707-F726 HydrophobicContact CG-CZ 4.43Å; L707-Q740 PolarHBondContact N-O 2.87Å; L707-S741 CarbonylContact O-C 3.56Å; L707-S741 WeakPolarHBondContact O-CA 3.47Å; L707-V742 PolarHBondContact O-N 2.81Å
708I94.8Very high89.5Confident1 Ų146.8 Ų46.81%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-109.8128.2178.3-52.4170.1000109.7L626 L629 V642 M643 V644 L706 V742 F744L626-I708 HydrophobicContact CD1-CD1 3.93Å; L629-I708 HydrophobicContact CD1-CD1 4.49Å; L629-I708 HydrophobicContact CD2-CD1 3.73Å; L629-I708 HydrophobicContact CD2-CG1 4.44Å; V642-I708 PolarHBondContact O-N 3.21Å; M643-I708 CarbonylContact C-O 3.54Å; M643-I708 VanDerWaalsContact CA-O 3.29Å; M643-I708 WeakPolarHBondContact CA-O 3.26Å; M643-I708 HydrophobicContact CB-CB 4.16Å; M643-I708 HydrophobicContact CE-CB 4.11Å; M643-I708 HydrophobicContact CE-CD1 3.69Å; M643-I708 HydrophobicContact CE-CG2 3.96Å; M643-I708 HydrophobicContact CG-CB 4.07Å; M643-I708 HydrophobicContact CG-CG2 4.27Å; V644-I708 PolarHBondContact N-O 3.19Å; L706-I708 HydrophobicContact CD1-CG1 4.05Å; L706-I708 HydrophobicContact CD2-CD1 4.32Å; L706-I708 HydrophobicContact CD2-CG1 4.48Å; L706-I708 HydrophobicContact CG-CD1 4.46Å; L706-I708 HydrophobicContact CG-CG1 4.11Å; I708-V742 CarbonylContact C-O 3.52Å; I708-V742 WeakPolarHBondContact CA-O 3.37Å; I708-F744 HydrophobicContact CG2-CE2 4.47Å; I708-F744 HydrophobicContact CG2-CZ 4.42Å
709H95.9Very high90Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-103.690.5175.8-55.4-127.4000107L707 S711 F719 R722 F723 S741 V742 V743 F744L707-H709 WeakPolarHBondContact CD2-NE2 3.42Å; H709-S711 VanDerWaalsContact C-N 3.3Å; H709-S711 PolarHBondContact O-N 2.94Å; H709-F719 HydrophobicContact CB-CE2 4.21Å; H709-F719 AromaticContact CE1-CE2 3.93Å; H709-F719 AromaticContact CG-CE2 3.94Å; H709-F719 AromaticContact ND1-CD2 3.69Å; H709-F719 AromaticContact ND1-CE2 3.19Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.08Å; H709-F719 AromaticContact ND1-CZ 3.75Å; H709-R722 WeakPolarHBondContact ND1-CD 3.39Å; H709-F723 AromaticContact CE1-CE2 3.37Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.34Å; H709-F723 AromaticContact CE1-CZ 3.66Å; H709-F723 AromaticContact NE2-CE2 3.91Å; H709-F723 AromaticContact NE2-CZ 3.73Å; H709-S741 PolarHBondContact CD2-OG 2.97Å; H709-S741 PolarHBondContact NE2-OG 2.67Å; H709-V742 PolarHBondContact N-O 3.24Å; H709-V743 HydrophobicContact CB-CB 4.41Å; H709-V743 HydrophobicContact CB-CG1 4.24Å; H709-V743 HydrophobicContact CB-CG2 4.24Å; H709-F744 PolarHBondContact O-N 3.03Å
710Y94.4Very high90.3Very high9 Ų939.1 Ų39.14%0.03521%0.213CC..SBendtrans-67.3-32.6-171.8-174.3-88.6000113.1E619 K622 L626 M643 V644 E650 L654 F744E619-Y710 VanDerWaalsContact OE2-CE1 3.26Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.37Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.31Å; E619-Y710 PolarHBondContact OE2-OH 3.43Å; K622-Y710 HydrophobicContact CB-CE2 4.1Å; K622-Y710 HydrophobicContact CD-CD1 4.46Å; K622-Y710 HydrophobicContact CD-CE1 3.84Å; K622-Y710 HydrophobicContact CD-CE2 4.02Å; K622-Y710 WeakPolarHBondContact CE-O 3.32Å; K622-Y710 PolarHBondContact NZ-O 3.28Å; L626-Y710 HydrophobicContact CD2-CE2 4.49Å; M643-Y710 HydrophobicContact SD-CD2 4.02Å; M643-Y710 HydrophobicContact SD-CG 4.35Å; V644-Y710 PolarHBondContact O-N 2.97Å; E650-Y710 HydrophobicContact CG-CD1 4.32Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.46Å; L654-Y710 HydrophobicContact CD1-CD2 4.32Å; L654-Y710 HydrophobicContact CD1-CE2 3.7Å; L654-Y710 HydrophobicContact CD2-CD1 4Å; L654-Y710 HydrophobicContact CD2-CD2 3.49Å; L654-Y710 VanDerWaalsContact CD2-CD2 3.49Å; L654-Y710 HydrophobicContact CD2-CE1 4.2Å; L654-Y710 HydrophobicContact CD2-CE2 3.69Å; L654-Y710 HydrophobicContact CD2-CG 3.65Å; L654-Y710 HydrophobicContact CG-CE2 4.37Å; Y710-F744 HydrophobicContact CD2-CD2 4Å; Y710-F744 HydrophobicContact CD2-CE2 4.18Å; Y710-F744 HydrophobicContact CE2-CD2 4.36Å; Y710-F744 HydrophobicContact CE2-CE2 4.44Å
711S92.1Very high90.7Very high22 Ų2232.8 Ų32.815%0.15419%0.188CC..SBendtrans-145.9155.2169.2-67.50000108.4K622 E650 H709 R722K622-S711 PolarHBondContact NZ-OG 3.22Å; K622-S711 VanDerWaalsContact NZ-OG 3.14Å; E650-S711 WeakPolarHBondContact OE1-CB 3.16Å; E650-S711 PolarHBondContact OE1-OG 3.22Å; H709-S711 VanDerWaalsContact C-N 3.3Å; H709-S711 PolarHBondContact O-N 2.94Å; S711-R722 PolarHBondContact O-NH1 2.85Å; S711-R722 PolarHBondContact O-NH2 2.91Å; S711-R722 VanDerWaalsContact O-NH2 3.14Å
712F92.4Very high91.3Very high12 Ų1232.6 Ų32.65%0.05319%0.187CC..  trans-60.7162.1176.9-75.9-76.5000112.9F719 R722 V743 A745 D749 N752 L756F712-F719 AromaticContact CD1-CD2 3.7Å; F712-F719 HydrophobicContact CD1-CD2 3.7Å; F712-F719 AromaticContact CD1-CE2 3.66Å; F712-F719 HydrophobicContact CD1-CE2 3.66Å; F712-F719 HydrophobicContact CD1-CG 4.45Å; F712-F719 HydrophobicContact CD1-CZ 4.4Å; F712-F719 HydrophobicContact CE1-CD2 4.25Å; F712-F719 AromaticContact CE1-CE2 3.79Å; F712-F719 HydrophobicContact CE1-CE2 3.79Å; F712-F719 HydrophobicContact CE1-CZ 4.13Å; F712-R722 PolarHBondContact O-NH2 3.25Å; F712-V743 HydrophobicContact CE1-CG1 3.84Å; F712-V743 HydrophobicContact CZ-CG1 3.8Å; F712-A745 HydrophobicContact CE2-CB 3.57Å; F712-A745 HydrophobicContact CZ-CB 3.88Å; F712-D749 HydrophobicContact CD2-CB 3.79Å; F712-D749 VanDerWaalsContact CD2-CG 3.42Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.34Å; F712-D749 HydrophobicContact CE2-CB 3.61Å; F712-N752 HydrophobicContact CD1-CB 3.68Å; F712-N752 HydrophobicContact CD2-CB 3.99Å; F712-N752 HydrophobicContact CE1-CB 3.65Å; F712-N752 HydrophobicContact CE2-CB 3.93Å; F712-N752 HydrophobicContact CG-CB 3.86Å; F712-N752 HydrophobicContact CZ-CB 3.78Å; F712-L756 HydrophobicContact CE1-CD1 3.83Å; F712-L756 HydrophobicContact CZ-CD1 3.68Å
713A91.5Very high91.9Very high4 Ų430.9 Ų30.93%0.03317%0.169CC..  trans-82.8152.1168.700000109.9D693 M715 R718 F719D693-A713 WeakPolarHBondContact OD2-CB 3.4Å; A713-M715 PolarHBondContact O-N 3.47Å; A713-R718 HydrophobicContact CB-CB 3.8Å; A713-F719 HydrophobicContact CB-CB 3.88Å
714S87.3Confident92.3Very high101 Ų10126.7 Ų26.771%0.70615%0.153SC*.SBendtrans-58.2-19.4175.455.20000114.5
715M90.7Very high92.5Very high98 Ų9827.1 Ų27.148%0.48316%0.155SC..SBendtrans-138.4139.7176.2-68-174-78.100111.2A713 A717 R718 F719A713-M715 PolarHBondContact O-N 3.47Å; M715-A717 PolarHBondContact O-N 3.14Å; M715-A717 VanDerWaalsContact O-N 3.17Å; M715-R718 HydrophobicContact CE-CG 4.37Å; M715-R718 WeakPolarHBondContact O-CB 3.46Å; M715-R718 PolarHBondContact O-N 2.91Å; M715-F719 PolarHBondContact O-N 2.95Å
716W92.4Very high92.8Very high51 Ų5125.8 Ų25.819%0.19315%0.146CC..Hα-helixtrans-55.4-34.9177.4-174.7-125.4000113.1L601 R718 F719 K720 K755 L756L601-W716 HydrophobicContact CD2-CH2 4.35Å; L601-W716 HydrophobicContact CD2-CZ2 4.12Å; W716-R718 PolarHBondContact O-N 3.17Å; W716-F719 HydrophobicContact CE3-CB 4.24Å; W716-F719 AromaticContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CE1 4.35Å; W716-F719 HydrophobicContact CE3-CG 4.16Å; W716-F719 AromaticContact CH2-CD1 3.86Å; W716-F719 HydrophobicContact CH2-CD1 3.86Å; W716-F719 AromaticContact CH2-CE1 3.83Å; W716-F719 HydrophobicContact CH2-CE1 3.83Å; W716-F719 AromaticContact CZ3-CD1 3.27Å; W716-F719 HydrophobicContact CZ3-CD1 3.27Å; W716-F719 AromaticContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CG 4.08Å; W716-F719 HydrophobicContact CZ3-CZ 4.46Å; W716-F719 PolarHBondContact O-N 2.69Å; W716-K720 HydrophobicContact CD2-CG 4.27Å; W716-K720 HydrophobicContact CZ2-CD 4.16Å; W716-K720 HydrophobicContact CZ2-CG 4.21Å; W716-K720 WeakPolarHBondContact O-CG 3.46Å; W716-K720 PolarHBondContact O-N 2.93Å; W716-K755 HydrophobicContact CB-CD 4.03Å; W716-K755 HydrophobicContact CD2-CB 4.03Å; W716-K755 HydrophobicContact CD2-CD 3.79Å; W716-K755 HydrophobicContact CD2-CG 4.41Å; W716-K755 HydrophobicContact CE3-CB 4.03Å; W716-K755 HydrophobicContact CE3-CD 4.01Å; W716-K755 HydrophobicContact CG-CD 3.79Å; W716-K755 HydrophobicContact CH2-CB 3.91Å; W716-K755 HydrophobicContact CZ2-CB 3.88Å; W716-K755 HydrophobicContact CZ3-CB 3.96Å; W716-L756 HydrophobicContact CH2-CD2 4.06Å; W716-L756 HydrophobicContact CH2-CG 4.29Å; W716-L756 HydrophobicContact CZ3-CG 4.46Å
717A91Very high92.8Very high71 Ų7125.8 Ų25.859%0.58715%0.146SC*.Hα-helixtrans-63.1-39.1174.500000113M715 N721M715-A717 PolarHBondContact O-N 3.14Å; M715-A717 VanDerWaalsContact O-N 3.17Å; A717-N721 WeakPolarHBondContact O-CB 3.44Å; A717-N721 PolarHBondContact O-N 2.97Å
718R92.8Very high92.4Very high64 Ų6427 Ų2724%0.24216%0.156CC..Hα-helixtrans-69.2-43.8174.7-74.5172.765.9114.3-15110.8D694 A713 M715 W716 K720 N721 R722D694-R718 IonicContact OD1-CZ 3.82Å; D694-R718 VanDerWaalsContact OD1-CZ 3.24Å; D694-R718 IonicContact OD1-NH1 3.08Å; D694-R718 PolarHBondContact OD1-NH1 2.99Å; D694-R718 IonicContact OD1-NH2 3.84Å; D694-R718 PolarHBondContact OD1-NH2 3.47Å; D694-R718 IonicContact OD2-NH2 3.01Å; D694-R718 PolarHBondContact OD2-NH2 2.9Å; A713-R718 HydrophobicContact CB-CB 3.8Å; M715-R718 HydrophobicContact CE-CG 4.37Å; M715-R718 WeakPolarHBondContact O-CB 3.46Å; M715-R718 PolarHBondContact O-N 2.91Å; W716-R718 PolarHBondContact O-N 3.17Å; R718-K720 PolarHBondContact O-N 3.32Å; R718-N721 WeakPolarHBondContact O-CB 3.37Å; R718-N721 PolarHBondContact O-N 2.72Å; R718-R722 PolarHBondContact O-N 2.87Å
719F95.3Very high91.9Very high1 Ų127.6 Ų27.60%0.00416%0.159CC..Hα-helixtrans-56.1-48.2174.9177.4-92.8000112.1H709 F712 A713 M715 W716 N721 R722 F723 V743 L756H709-F719 HydrophobicContact CB-CE2 4.21Å; H709-F719 AromaticContact CE1-CE2 3.93Å; H709-F719 AromaticContact CG-CE2 3.94Å; H709-F719 AromaticContact ND1-CD2 3.69Å; H709-F719 AromaticContact ND1-CE2 3.19Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.08Å; H709-F719 AromaticContact ND1-CZ 3.75Å; F712-F719 AromaticContact CD1-CD2 3.7Å; F712-F719 HydrophobicContact CD1-CD2 3.7Å; F712-F719 AromaticContact CD1-CE2 3.66Å; F712-F719 HydrophobicContact CD1-CE2 3.66Å; F712-F719 HydrophobicContact CD1-CG 4.45Å; F712-F719 HydrophobicContact CD1-CZ 4.4Å; F712-F719 HydrophobicContact CE1-CD2 4.25Å; F712-F719 AromaticContact CE1-CE2 3.79Å; F712-F719 HydrophobicContact CE1-CE2 3.79Å; F712-F719 HydrophobicContact CE1-CZ 4.13Å; A713-F719 HydrophobicContact CB-CB 3.88Å; M715-F719 PolarHBondContact O-N 2.95Å; W716-F719 HydrophobicContact CE3-CB 4.24Å; W716-F719 AromaticContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CE1 4.35Å; W716-F719 HydrophobicContact CE3-CG 4.16Å; W716-F719 AromaticContact CH2-CD1 3.86Å; W716-F719 HydrophobicContact CH2-CD1 3.86Å; W716-F719 AromaticContact CH2-CE1 3.83Å; W716-F719 HydrophobicContact CH2-CE1 3.83Å; W716-F719 AromaticContact CZ3-CD1 3.27Å; W716-F719 HydrophobicContact CZ3-CD1 3.27Å; W716-F719 AromaticContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CG 4.08Å; W716-F719 HydrophobicContact CZ3-CZ 4.46Å; W716-F719 PolarHBondContact O-N 2.69Å; F719-N721 VanDerWaalsContact C-N 3.32Å; F719-N721 PolarHBondContact O-N 3.37Å; F719-R722 VanDerWaalsContact O-CB 3.28Å; F719-R722 WeakPolarHBondContact O-CB 3.28Å; F719-R722 WeakPolarHBondContact O-CG 3.22Å; F719-R722 PolarHBondContact O-N 2.87Å; F719-F723 HydrophobicContact CD1-CE2 4.35Å; F719-F723 AromaticContact CE1-CE2 3.82Å; F719-F723 HydrophobicContact CE1-CE2 3.82Å; F719-F723 HydrophobicContact CE1-CZ 4.45Å; F719-F723 HydrophobicContact CZ-CE2 4.15Å; F719-V743 HydrophobicContact CE2-CG1 4.22Å; F719-V743 HydrophobicContact CE2-CG2 4.33Å; F719-V743 HydrophobicContact CZ-CG1 4.38Å; F719-V743 HydrophobicContact CZ-CG2 3.94Å; F719-L756 HydrophobicContact CE1-CD2 4.32Å; F719-L756 HydrophobicContact CZ-CD2 4.39Å
720K94.7Very high91.2Very high19 Ų1928.6 Ų28.68%0.08317%0.165CC..Hα-helixtrans-63.6-36.1175.7-68.7-165.6-66.4174.80112.3N417 D599 L601 W716 R718 R722 F723N417-K720 PolarHBondContact OD1-NZ 3.27Å; D599-K720 WeakPolarHBondContact OD2-CE 3.25Å; D599-K720 IonicContact OD2-NZ 3.64Å; D599-K720 PolarHBondContact OD2-NZ 3.09Å; L601-K720 HydrophobicContact CB-CB 4.03Å; L601-K720 HydrophobicContact CB-CD 4.09Å; L601-K720 HydrophobicContact CB-CG 3.89Å; L601-K720 HydrophobicContact CD2-CD 3.9Å; L601-K720 HydrophobicContact CD2-CG 3.75Å; L601-K720 HydrophobicContact CG-CG 4.48Å; W716-K720 HydrophobicContact CD2-CG 4.27Å; W716-K720 HydrophobicContact CZ2-CD 4.16Å; W716-K720 HydrophobicContact CZ2-CG 4.21Å; W716-K720 WeakPolarHBondContact O-CG 3.46Å; W716-K720 PolarHBondContact O-N 2.93Å; R718-K720 PolarHBondContact O-N 3.32Å; K720-R722 PolarHBondContact O-N 2.87Å; K720-F723 WeakPolarHBondContact O-CB 3.38Å; K720-F723 PolarHBondContact O-N 3.36Å
721N93.3Very high90.1Very high48 Ų4832.6 Ų32.626%0.25718%0.182SC..Hα-helixtrans-64.7-22.6176.6-170.267.3000113.8V696 A717 R718 F719 F723 S724V696-N721 WeakPolarHBondContact CG1-O 3.47Å; A717-N721 WeakPolarHBondContact O-CB 3.44Å; A717-N721 PolarHBondContact O-N 2.97Å; R718-N721 WeakPolarHBondContact O-CB 3.37Å; R718-N721 PolarHBondContact O-N 2.72Å; F719-N721 VanDerWaalsContact C-N 3.32Å; F719-N721 PolarHBondContact O-N 3.37Å; N721-F723 PolarHBondContact O-N 3.03Å; N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.22Å; N721-S724 PolarHBondContact O-N 3Å; N721-S724 PolarHBondContact O-OG 2.69Å
722R95.1Very high88.5Confident0 Ų033.6 Ų33.60%019%0.189CC..G310 helixtrans-55.2-32.9171.7-61.2178.8176.8-170.81.3112.8V644 D693 L707 H709 S711 F712 R718 F719 K720 S724 L725V644-R722 HydrophobicContact CB-CG 4.33Å; V644-R722 HydrophobicContact CG1-CG 4.06Å; V644-R722 VanDerWaalsContact CG1-NE 3.33Å; V644-R722 HydrophobicContact CG2-CB 4.4Å; V644-R722 HydrophobicContact CG2-CG 4.19Å; V644-R722 PolarHBondContact O-NH1 3.41Å; D693-R722 WeakPolarHBondContact OD1-CG 3.13Å; D693-R722 IonicContact OD1-CZ 3.52Å; D693-R722 IonicContact OD1-NE 3.45Å; D693-R722 PolarHBondContact OD1-NE 2.93Å; D693-R722 IonicContact OD1-NH2 3.59Å; D693-R722 IonicContact OD2-CZ 3.53Å; D693-R722 IonicContact OD2-NE 2.74Å; D693-R722 PolarHBondContact OD2-NE 2.87Å; D693-R722 IonicContact OD2-NH2 2.75Å; D693-R722 PolarHBondContact OD2-NH2 2.68Å; L707-R722 HydrophobicContact CD2-CB 4.35Å; L707-R722 WeakPolarHBondContact CD2-O 3.43Å; H709-R722 WeakPolarHBondContact ND1-CD 3.39Å; S711-R722 PolarHBondContact O-NH1 2.85Å; S711-R722 PolarHBondContact O-NH2 2.91Å; S711-R722 VanDerWaalsContact O-NH2 3.14Å; F712-R722 PolarHBondContact O-NH2 3.25Å; R718-R722 PolarHBondContact O-N 2.87Å; F719-R722 VanDerWaalsContact O-CB 3.28Å; F719-R722 WeakPolarHBondContact O-CB 3.28Å; F719-R722 WeakPolarHBondContact O-CG 3.22Å; F719-R722 PolarHBondContact O-N 2.87Å; K720-R722 PolarHBondContact O-N 2.87Å; R722-S724 PolarHBondContact O-N 2.8Å; R722-L725 WeakPolarHBondContact O-CG 3.2Å; R722-L725 PolarHBondContact O-N 2.88Å
723F94.4Very high86.8Confident3 Ų337.6 Ų37.61%0.01322%0.216CC..G310 helixtrans-69.8-11.8178.5-68.7-97000113.7A600 L601 L611 H709 F719 K720 N721 L725 F726 S741A600-F723 HydrophobicContact CB-CB 4.05Å; A600-F723 WeakPolarHBondContact O-CB 3.45Å; L601-F723 HydrophobicContact CB-CD2 4.13Å; L601-F723 HydrophobicContact CB-CG 4.28Å; L601-F723 HydrophobicContact CD1-CD1 3.87Å; L601-F723 HydrophobicContact CD1-CD2 3.99Å; L601-F723 HydrophobicContact CD1-CE1 3.66Å; L601-F723 HydrophobicContact CD1-CE2 3.79Å; L601-F723 HydrophobicContact CD1-CG 4.04Å; L601-F723 HydrophobicContact CD1-CZ 3.64Å; L611-F723 HydrophobicContact CD1-CE1 4.47Å; L611-F723 HydrophobicContact CD1-CZ 4.22Å; H709-F723 AromaticContact CE1-CE2 3.37Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.34Å; H709-F723 AromaticContact CE1-CZ 3.66Å; H709-F723 AromaticContact NE2-CE2 3.91Å; H709-F723 AromaticContact NE2-CZ 3.73Å; F719-F723 HydrophobicContact CD1-CE2 4.35Å; F719-F723 AromaticContact CE1-CE2 3.82Å; F719-F723 HydrophobicContact CE1-CE2 3.82Å; F719-F723 HydrophobicContact CE1-CZ 4.45Å; F719-F723 HydrophobicContact CZ-CE2 4.15Å; K720-F723 WeakPolarHBondContact O-CB 3.38Å; K720-F723 PolarHBondContact O-N 3.36Å; N721-F723 PolarHBondContact O-N 3.03Å; F723-L725 PolarHBondContact O-N 2.99Å; F723-L725 VanDerWaalsContact O-N 3.14Å; F723-F726 HydrophobicContact CB-CD2 4.42Å; F723-F726 HydrophobicContact CD1-CD2 4.03Å; F723-F726 AromaticContact CD1-CE2 3.9Å; F723-F726 HydrophobicContact CD1-CE2 3.9Å; F723-F726 HydrophobicContact CE1-CE2 4.38Å; F723-F726 PolarHBondContact O-N 3.43Å; F723-S741 WeakPolarHBondContact CE1-OG 3.38Å; F723-S741 WeakPolarHBondContact CZ-OG 3.46Å
724S93.4Very high84.8Confident20 Ų2042.6 Ų42.614%0.1425%0.246CC..G310 helixtrans-62.3-20.3175.364.20000112.9A600 N721 R722 F726 Y727A600-S724 VanDerWaalsContact CB-N 3.34Å; N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.22Å; N721-S724 PolarHBondContact O-N 3Å; N721-S724 PolarHBondContact O-OG 2.69Å; R722-S724 PolarHBondContact O-N 2.8Å; S724-F726 PolarHBondContact O-N 2.75Å; S724-Y727 WeakPolarHBondContact O-CB 3.43Å; S724-Y727 PolarHBondContact O-N 3.01Å
725L92.4Very high82.9Confident9 Ų943.9 Ų43.95%0.04725%0.25CS..G310 helixtrans-61.7-27.9173.5-59174.9000112.4V642 V644 V696 L699 I704 L707 R722 F723 Y727V642-L725 HydrophobicContact CG1-CD1 3.94Å; V644-L725 HydrophobicContact CG2-CD1 4.49Å; V696-L725 HydrophobicContact CG1-CG 4.47Å; L699-L725 HydrophobicContact CB-CD2 4.03Å; L699-L725 HydrophobicContact CD2-CD2 3.89Å; L699-L725 HydrophobicContact CG-CD2 4.31Å; I704-L725 HydrophobicContact CD1-CB 3.59Å; I704-L725 HydrophobicContact CG1-CB 4.24Å; L707-L725 HydrophobicContact CD1-CD1 3.74Å; R722-L725 WeakPolarHBondContact O-CG 3.2Å; R722-L725 PolarHBondContact O-N 2.88Å; F723-L725 PolarHBondContact O-N 2.99Å; F723-L725 VanDerWaalsContact O-N 3.14Å; L725-Y727 VanDerWaalsContact C-N 3.28Å; L725-Y727 PolarHBondContact O-N 2.88Å
726F91.1Very high81.2Confident0 Ų050.2 Ų50.20%027%0.269CS..G310 helixtrans-75.2-9.5174.2-65.4-62000114V609 I704 L707 F723 S724 A728 N729 L730V609-F726 HydrophobicContact CG1-CD2 4.03Å; V609-F726 HydrophobicContact CG1-CE1 4.3Å; V609-F726 HydrophobicContact CG1-CE2 3.63Å; V609-F726 HydrophobicContact CG1-CZ 3.77Å; V609-F726 HydrophobicContact CG2-CB 4.37Å; V609-F726 HydrophobicContact CG2-CD1 4.43Å; V609-F726 HydrophobicContact CG2-CD2 4.21Å; V609-F726 HydrophobicContact CG2-CG 4.11Å; I704-F726 HydrophobicContact CD1-CD1 4.1Å; I704-F726 HydrophobicContact CD1-CE1 4Å; I704-F726 HydrophobicContact CG1-CD1 4.13Å; I704-F726 HydrophobicContact CG1-CE1 4.33Å; I704-F726 WeakPolarHBondContact O-CE1 3.44Å; L707-F726 HydrophobicContact CB-CE1 4.23Å; L707-F726 HydrophobicContact CB-CE2 3.85Å; L707-F726 HydrophobicContact CB-CZ 3.42Å; L707-F726 VanDerWaalsContact CB-CZ 3.42Å; L707-F726 HydrophobicContact CD2-CD2 4.33Å; L707-F726 HydrophobicContact CD2-CE2 3.64Å; L707-F726 HydrophobicContact CD2-CZ 4.13Å; L707-F726 HydrophobicContact CG-CE2 4.41Å; L707-F726 HydrophobicContact CG-CZ 4.43Å; F723-F726 HydrophobicContact CB-CD2 4.42Å; F723-F726 HydrophobicContact CD1-CD2 4.03Å; F723-F726 AromaticContact CD1-CE2 3.9Å; F723-F726 HydrophobicContact CD1-CE2 3.9Å; F723-F726 HydrophobicContact CE1-CE2 4.38Å; F723-F726 PolarHBondContact O-N 3.43Å; S724-F726 PolarHBondContact O-N 2.75Å; F726-A728 PolarHBondContact O-N 3.5Å; F726-N729 WeakPolarHBondContact O-CB 3.34Å; F726-N729 PolarHBondContact O-N 3.35Å; F726-L730 PolarHBondContact O-N 2.93Å
727Y90Very high79.4Confident9 Ų951.3 Ų51.34%0.03528%0.282CS..G310 helixtrans-58.5-24.1-177.6-73.4-5.1000114.3N353 G356 L358 A600 A603 S724 L725 L730N353-Y727 HydrophobicContact CB-CD2 3.96Å; N353-Y727 HydrophobicContact CB-CG 4.26Å; G356-Y727 VanDerWaalsContact O-CE2 3.3Å; G356-Y727 WeakPolarHBondContact O-CE2 3.48Å; G356-Y727 PolarHBondContact O-OH 3.34Å; L358-Y727 HydrophobicContact CB-CD1 4.02Å; L358-Y727 HydrophobicContact CB-CE1 3.75Å; L358-Y727 HydrophobicContact CB-CE2 4.36Å; L358-Y727 HydrophobicContact CB-CG 4.42Å; L358-Y727 HydrophobicContact CD1-CD1 4.01Å; L358-Y727 HydrophobicContact CD1-CG 4.05Å; L358-Y727 HydrophobicContact CG-CD1 4.44Å; A600-Y727 HydrophobicContact CB-CE1 3.65Å; A600-Y727 WeakPolarHBondContact CB-OH 3.48Å; A603-Y727 HydrophobicContact CB-CE1 3.9Å; S724-Y727 WeakPolarHBondContact O-CB 3.43Å; S724-Y727 PolarHBondContact O-N 3.01Å; L725-Y727 VanDerWaalsContact C-N 3.28Å; L725-Y727 PolarHBondContact O-N 2.88Å; Y727-L730 HydrophobicContact CD1-CD1 4.32Å
728A86Confident78.6Confident25 Ų2549.7 Ų49.721%0.20727%0.265CS..G310 helixtrans-76.1-32.6174.800000112.6G702 K703 F726 L730 K731G702-A728 WeakPolarHBondContact O-CB 3.19Å; K703-A728 HydrophobicContact CG-CB 4.35Å; F726-A728 PolarHBondContact O-N 3.5Å; A728-L730 VanDerWaalsContact C-N 3.33Å; A728-K731 WeakPolarHBondContact O-CB 3.31Å; A728-K731 PolarHBondContact O-N 3.41Å
729N84.6Confident78.2Confident13 Ų1346.9 Ų46.97%0.0726%0.256CS..G310 helixtrans-66.9-40.8178.3-49.328.1000109.7K703 I704 F726 K731 S732 V738K703-N729 VanDerWaalsContact CA-OD1 3.26Å; K703-N729 WeakPolarHBondContact CA-OD1 3.42Å; I704-N729 PolarHBondContact N-OD1 3.23Å; I704-N729 PolarHBondContact O-ND2 3.3Å; F726-N729 WeakPolarHBondContact O-CB 3.34Å; F726-N729 PolarHBondContact O-N 3.35Å; N729-K731 PolarHBondContact O-N 3.42Å; N729-S732 PolarHBondContact O-N 2.92Å; N729-V738 HydrophobicContact CB-CG1 3.31Å; N729-V738 PolarHBondContact ND2-O 3.46Å
730L79.4Confident77.9Confident22 Ų2248 Ų4812%0.11526%0.261CS..G310 helixtrans-65.22.4178.3-58.7171.1000114.9T351 L358 F726 Y727 A728 V738T351-L730 WeakPolarHBondContact CG2-O 3.26Å; T351-L730 PolarHBondContact OG1-O 3Å; T351-L730 VanDerWaalsContact OG1-O 3.07Å; L358-L730 HydrophobicContact CD1-CB 4.17Å; L358-L730 HydrophobicContact CD1-CD1 4.25Å; L358-L730 HydrophobicContact CD2-CB 4.31Å; L358-L730 HydrophobicContact CD2-CD1 3.53Å; L358-L730 HydrophobicContact CD2-CG 4.49Å; F726-L730 PolarHBondContact O-N 2.93Å; Y727-L730 HydrophobicContact CD1-CD1 4.32Å; A728-L730 VanDerWaalsContact C-N 3.33Å; L730-V738 HydrophobicContact CD2-CG1 3.76Å; L730-V738 HydrophobicContact CG-CG1 4.29Å
731K71.5Confident77.9Confident93 Ų9347.1 Ų47.140%0.40426%0.258SS..G310 helixtrans-88-1.1173.2-57.5-157.9173.8-165.50114.5T351 N353 A728 N729T351-K731 HydrophobicContact CG2-CG 3.98Å; N353-K731 VanDerWaalsContact CG-CE 3.42Å; N353-K731 WeakPolarHBondContact OD1-CE 3.49Å; N353-K731 PolarHBondContact OD1-NZ 3.39Å; A728-K731 WeakPolarHBondContact O-CB 3.31Å; A728-K731 PolarHBondContact O-N 3.41Å; N729-K731 PolarHBondContact O-N 3.42Å
732S60Low78Confident43 Ų4344.9 Ų44.930%0.30125%0.245SC..  trans-143108.4179.2-46.80000110.7K703 N729 T734K703-S732 VanDerWaalsContact NZ-CB 3.33Å; K703-S732 PolarHBondContact NZ-OG 3.44Å; N729-S732 PolarHBondContact O-N 2.92Å; S732-T734 PolarHBondContact O-N 2.89Å
733P54.8Low78Confident96 Ų9644.9 Ų44.962%0.62325%0.245SC*.  trans-75.813.5-177.431.7-36.2000114.1T735P733-T735 PolarHBondContact O-N 3.31Å
734T51Low78Confident108 Ų10844.8 Ų44.866%0.66325%0.245SC*.  trans-85.995.6-172.650.70000112.3S732S732-T734 PolarHBondContact O-N 2.89Å
735T47.8Very low78.1Confident128 Ų12843.8 Ų43.879%0.78524%0.238SC*.SBendtrans66.2114.4157.4570000120.5P733P733-T735 PolarHBondContact O-N 3.31Å
736R53.3Low78Confident232 Ų23246 Ų4688%0.87525%0.247SC*.SBendtrans67.1166.7161.6-67.2-168.9175.1-175.7-0.5114.2V738R736-V738 PolarHBondContact O-N 3.29Å
737P55.5Low78Confident73 Ų7347.9 Ų47.947%0.47426%0.26SS..  trans-63.1130.9-140.524.8-33.8000112.1Q610 G739Q610-P737 HydrophobicContact CG-CB 4.18Å; P737-G739 PolarHBondContact O-N 3.25Å; P737-G739 VanDerWaalsContact O-N 3.1Å
738V73.2Confident78Confident38 Ų3852 Ų5223%0.2329%0.286CS..SBendtrans-65.3-22-166.3174.40000112.4G607 V609 N729 L730 R736G607-V738 WeakPolarHBondContact O-CB 3.24Å; G607-V738 WeakPolarHBondContact O-CG2 3.24Å; V609-V738 HydrophobicContact CG2-CB 4.38Å; V609-V738 HydrophobicContact CG2-CG1 4.45Å; N729-V738 HydrophobicContact CB-CG1 3.31Å; N729-V738 PolarHBondContact ND2-O 3.46Å; L730-V738 HydrophobicContact CD2-CG1 3.76Å; L730-V738 HydrophobicContact CG-CG1 4.29Å; R736-V738 PolarHBondContact O-N 3.29Å
739G84.9Confident78.3Confident5 Ų552.7 Ų52.75%0.05229%0.286CS..  trans-179.3177.2166.600000111.1V609 Q610 P705 P737V609-G739 CarbonylContact C-O 3.54Å; V609-G739 WeakPolarHBondContact CA-O 3.36Å; Q610-G739 PolarHBondContact N-O 3.49Å; P705-G739 CarbonylContact O-C 3.31Å; P705-G739 VanDerWaalsContact O-CA 3.31Å; P705-G739 WeakPolarHBondContact O-CA 3.33Å; P737-G739 PolarHBondContact O-N 3.25Å; P737-G739 VanDerWaalsContact O-N 3.1Å
740Q90.4Very high78.6Confident25 Ų2553 Ų5312%0.11729%0.288CS..EExtended strand (participates in β ladder)trans-120.7130.6170.4-173.1-176.210.400109.8Q610 P705 L706 L707 V742Q610-Q740 HydrophobicContact CB-CG 4.38Å; P705-Q740 PolarHBondContact O-N 3.07Å; L706-Q740 WeakPolarHBondContact CA-O 3.48Å; L706-Q740 HydrophobicContact CD1-CB 4.47Å; L707-Q740 PolarHBondContact N-O 2.87Å; Q740-V742 HydrophobicContact CG-CG2 3.93Å
741S94.1Very high79.2Confident0 Ų056 Ų560%030%0.302CS..EExtended strand (participates in β ladder)trans-102.4127166.31730000108.9Q610 L611 D612 L707 H709 F723Q610-S741 PolarHBondContact O-N 2.89Å; L611-S741 WeakPolarHBondContact CD1-OG 3.18Å; D612-S741 PolarHBondContact N-O 3.01Å; L707-S741 CarbonylContact O-C 3.56Å; L707-S741 WeakPolarHBondContact O-CA 3.47Å; H709-S741 PolarHBondContact CD2-OG 2.97Å; H709-S741 PolarHBondContact NE2-OG 2.67Å; F723-S741 WeakPolarHBondContact CE1-OG 3.38Å; F723-S741 WeakPolarHBondContact CZ-OG 3.46Å
742V94.6Very high80.2Confident0 Ų052.7 Ų52.70%029%0.289CS..EExtended strand (participates in β ladder)trans-119.1122.5175.1-173.70000109.1D612 R614 L629 L706 L707 I708 H709 Q740 F744D612-V742 HydrophobicContact CB-CG1 4.37Å; D612-V742 HydrophobicContact CB-CG2 4.15Å; D612-V742 WeakPolarHBondContact O-CA 3.46Å; R614-V742 HydrophobicContact CG-CG1 4.31Å; L629-V742 HydrophobicContact CD1-CB 4.07Å; L629-V742 HydrophobicContact CD1-CG1 3.86Å; L629-V742 HydrophobicContact CD1-CG2 3.9Å; L706-V742 HydrophobicContact CD1-CG2 4.1Å; L707-V742 PolarHBondContact O-N 2.81Å; I708-V742 CarbonylContact C-O 3.52Å; I708-V742 WeakPolarHBondContact CA-O 3.37Å; H709-V742 PolarHBondContact N-O 3.24Å; Q740-V742 HydrophobicContact CG-CG2 3.93Å; V742-F744 HydrophobicContact CG1-CD1 4.29Å; V742-F744 HydrophobicContact CG1-CE1 3.92Å
743V95.5Very high81.9Confident0 Ų050.7 Ų50.70%027%0.274CS..EExtended strand (participates in β ladder)trans-108.2125.6-178.6-1740000110L611 D612 V613 R614 H709 F712 F719 L756L611-V743 HydrophobicContact CD1-CG2 4.04Å; D612-V743 PolarHBondContact O-N 3.4Å; V613-V743 WeakPolarHBondContact CA-O 3.29Å; V613-V743 HydrophobicContact CG1-CB 4.41Å; V613-V743 HydrophobicContact CG2-CB 4.27Å; V613-V743 HydrophobicContact CG2-CG2 4.45Å; R614-V743 PolarHBondContact N-O 2.89Å; H709-V743 HydrophobicContact CB-CB 4.41Å; H709-V743 HydrophobicContact CB-CG1 4.24Å; H709-V743 HydrophobicContact CB-CG2 4.24Å; F712-V743 HydrophobicContact CE1-CG1 3.84Å; F712-V743 HydrophobicContact CZ-CG1 3.8Å; F719-V743 HydrophobicContact CE2-CG1 4.22Å; F719-V743 HydrophobicContact CE2-CG2 4.33Å; F719-V743 HydrophobicContact CZ-CG1 4.38Å; F719-V743 HydrophobicContact CZ-CG2 3.94Å; V743-L756 HydrophobicContact CG1-CD1 4.46Å
744F95.1Very high83.8Confident1 Ų147.2 Ų47.20%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-93.8116.2167.8-63.6-10.6000108.5R614 K622 H625 L626 I708 H709 Y710 V742R614-F744 HydrophobicContact CB-CD1 4.23Å; R614-F744 WeakPolarHBondContact O-CA 3.39Å; K622-F744 HydrophobicContact CB-CD2 4.15Å; K622-F744 HydrophobicContact CB-CE2 4.36Å; K622-F744 HydrophobicContact CD-CB 4.47Å; K622-F744 HydrophobicContact CD-CD2 4.15Å; K622-F744 HydrophobicContact CG-CD2 4.02Å; H625-F744 HydrophobicContact CB-CE1 4.39Å; H625-F744 HydrophobicContact CB-CZ 4.15Å; L626-F744 HydrophobicContact CB-CE2 4.24Å; L626-F744 HydrophobicContact CB-CZ 4.32Å; I708-F744 HydrophobicContact CG2-CE2 4.47Å; I708-F744 HydrophobicContact CG2-CZ 4.42Å; H709-F744 PolarHBondContact O-N 3.03Å; Y710-F744 HydrophobicContact CD2-CD2 4Å; Y710-F744 HydrophobicContact CD2-CE2 4.18Å; Y710-F744 HydrophobicContact CE2-CD2 4.36Å; Y710-F744 HydrophobicContact CE2-CE2 4.44Å; V742-F744 HydrophobicContact CG1-CD1 4.29Å; V742-F744 HydrophobicContact CG1-CE1 3.92Å
745A93.9Very high85.9Confident0 Ų044 Ų440%023%0.226CC..EExtended strand (participates in β ladder)trans-118.2138.4-177.500000110.5V613 R614 V615 V616 F712 I753V613-A745 HydrophobicContact CG1-CB 4.27Å; R614-A745 PolarHBondContact O-N 2.9Å; V615-A745 CarbonylContact C-O 3.5Å; V615-A745 VanDerWaalsContact CA-O 3.26Å; V615-A745 WeakPolarHBondContact CA-O 3.19Å; V616-A745 PolarHBondContact N-O 3.47Å; F712-A745 HydrophobicContact CE2-CB 3.57Å; F712-A745 HydrophobicContact CZ-CB 3.88Å; A745-I753 HydrophobicContact CB-CG1 4.36Å
746K91.9Very high88.1Confident54 Ų5437.9 Ų37.924%0.23519%0.188CC..  trans-88.8151.4172.5-57.4-156.8174.8-146.70110.8A617 E619 T748 D749 I753A617-K746 PolarHBondContact O-NZ 3.31Å; E619-K746 WeakPolarHBondContact OE1-CE 3.23Å; E619-K746 IonicContact OE1-NZ 3.05Å; E619-K746 PolarHBondContact OE1-NZ 2.84Å; K746-T748 WeakPolarHBondContact CB-OG1 3.25Å; K746-T748 PolarHBondContact O-N 3.27Å; K746-D749 WeakPolarHBondContact CB-OD2 3.37Å; K746-D749 PolarHBondContact N-OD2 3.12Å; K746-D749 WeakPolarHBondContact O-CB 3.37Å; K746-D749 PolarHBondContact O-N 3.36Å; K746-I753 WeakPolarHBondContact O-CD1 3.41Å
747P90.9Very high90.1Very high40 Ų4026.9 Ų26.926%0.2615%0.147SC..THydrogen-bonded Turntrans-59.1-6170.5-2433.9000115.1V615 R778V615-P747 HydrophobicContact CG1-CG 3.77Å; P747-R778 PolarHBondContact O-NE 2.68Å; P747-R778 PolarHBondContact O-NH2 3.41Å
748T90.3Very high91.9Very high96 Ų9624.8 Ų24.859%0.58913%0.132SC*.THydrogen-bonded Turntrans-96.4-11173.347.30000113.7K746 V750K746-T748 WeakPolarHBondContact CB-OG1 3.25Å; K746-T748 PolarHBondContact O-N 3.27Å; T748-V750 PolarHBondContact O-N 3.08Å
749D91.1Very high92.8Very high40 Ų4023.5 Ų23.521%0.21412%0.123CC..  trans-77.335.6-179.8-73.4-53.1000113.2F712 K746 E751 N752 I753F712-D749 HydrophobicContact CD2-CB 3.79Å; F712-D749 VanDerWaalsContact CD2-CG 3.42Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.34Å; F712-D749 HydrophobicContact CE2-CB 3.61Å; K746-D749 WeakPolarHBondContact CB-OD2 3.37Å; K746-D749 PolarHBondContact N-OD2 3.12Å; K746-D749 WeakPolarHBondContact O-CB 3.37Å; K746-D749 PolarHBondContact O-N 3.36Å; D749-E751 VanDerWaalsContact C-N 3.25Å; D749-E751 PolarHBondContact O-N 3.02Å; D749-E751 VanDerWaalsContact O-N 3.08Å; D749-N752 PolarHBondContact O-N 2.66Å; D749-I753 HydrophobicContact CB-CD1 4.32Å; D749-I753 HydrophobicContact CB-CG1 4.28Å; D749-I753 WeakPolarHBondContact O-CG1 3.46Å; D749-I753 PolarHBondContact O-N 3.22Å
750V91.1Very high93.1Very high19 Ų1924 Ų2412%0.11512%0.123CC..Hα-helixtrans-47.5-45.4-169.8-170.30000112.5T748 N752 I753 W754 L775 R778T748-V750 PolarHBondContact O-N 3.08Å; V750-N752 VanDerWaalsContact C-N 3.32Å; V750-N752 PolarHBondContact O-N 3Å; V750-I753 PolarHBondContact O-N 3.43Å; V750-W754 WeakPolarHBondContact O-CB 3.44Å; V750-W754 PolarHBondContact O-N 2.71Å; V750-L775 HydrophobicContact CG1-CD2 3.75Å; V750-L775 WeakPolarHBondContact O-CD2 3.21Å; V750-R778 HydrophobicContact CG1-CB 4.27Å; V750-R778 HydrophobicContact CG2-CB 4.15Å; V750-R778 HydrophobicContact CG2-CG 3.7Å
751E92.2Very high93Very high85 Ų8523.6 Ų23.640%0.39712%0.122SC..Hα-helixtrans-65-28.9-179.3176.859-16400113.9D749 K755 H806D749-E751 VanDerWaalsContact C-N 3.25Å; D749-E751 PolarHBondContact O-N 3.02Å; D749-E751 VanDerWaalsContact O-N 3.08Å; E751-K755 VanDerWaalsContact CD-NZ 3.32Å; E751-K755 VanDerWaalsContact CG-NZ 3.34Å; E751-K755 VanDerWaalsContact O-CD 3.26Å; E751-K755 WeakPolarHBondContact O-CD 3.4Å; E751-K755 VanDerWaalsContact O-CE 3.24Å; E751-K755 WeakPolarHBondContact O-CE 3.43Å; E751-K755 WeakPolarHBondContact O-CG 3.37Å; E751-K755 PolarHBondContact O-NZ 3.17Å; E751-K755 WeakPolarHBondContact OE1-CE 3.15Å; E751-K755 IonicContact OE1-NZ 3.51Å; E751-K755 PolarHBondContact OE1-NZ 3.01Å; E751-H806 IonicContact OE1-CE1 2.73Å; E751-H806 IonicContact OE1-NE2 2.75Å; E751-H806 PolarHBondContact OE1-NE2 2.85Å; E751-H806 IonicContact OE2-CD2 3.67Å; E751-H806 IonicContact OE2-CE1 3.59Å; E751-H806 IonicContact OE2-NE2 2.8Å; E751-H806 PolarHBondContact OE2-NE2 2.95Å
752N93.6Very high92.6Very high24 Ų2427.7 Ų27.713%0.12814%0.14CC..Hα-helixtrans-94.6-34.7177.6-68.6-42.7000111.8F712 D749 V750 W754 K755 L756F712-N752 HydrophobicContact CD1-CB 3.68Å; F712-N752 HydrophobicContact CD2-CB 3.99Å; F712-N752 HydrophobicContact CE1-CB 3.65Å; F712-N752 HydrophobicContact CE2-CB 3.93Å; F712-N752 HydrophobicContact CG-CB 3.86Å; F712-N752 HydrophobicContact CZ-CB 3.78Å; D749-N752 PolarHBondContact O-N 2.66Å; V750-N752 VanDerWaalsContact C-N 3.32Å; V750-N752 PolarHBondContact O-N 3Å; N752-W754 VanDerWaalsContact C-N 3.29Å; N752-W754 PolarHBondContact O-N 3.29Å; N752-K755 PolarHBondContact O-N 3.45Å; N752-L756 PolarHBondContact O-N 3.44Å
753I95.1Very high92.3Very high0 Ų028.5 Ų28.50%014%0.143CC..Hα-helixtrans-59.5-41.3169.8-67.6174.1000110.2A745 K746 D749 V750 K755 L756 C757 L771 I774 L775A745-I753 HydrophobicContact CB-CG1 4.36Å; K746-I753 WeakPolarHBondContact O-CD1 3.41Å; D749-I753 HydrophobicContact CB-CD1 4.32Å; D749-I753 HydrophobicContact CB-CG1 4.28Å; D749-I753 WeakPolarHBondContact O-CG1 3.46Å; D749-I753 PolarHBondContact O-N 3.22Å; V750-I753 PolarHBondContact O-N 3.43Å; I753-K755 PolarHBondContact O-N 3.13Å; I753-L756 PolarHBondContact O-N 3.3Å; I753-C757 PolarHBondContact O-N 3.09Å; I753-C757 PolarHBondContact O-SG 2.82Å; I753-L771 HydrophobicContact CG2-CB 3.93Å; I753-L771 HydrophobicContact CG2-CD2 4.29Å; I753-I774 HydrophobicContact CD1-CG2 4.22Å; I753-L775 HydrophobicContact CB-CD2 4.29Å; I753-L775 HydrophobicContact CG2-CD1 4.3Å; I753-L775 HydrophobicContact CG2-CD2 3.97Å; I753-L775 HydrophobicContact CG2-CG 3.99Å
754W95Very high91.7Very high23 Ų2333.2 Ų33.29%0.08716%0.164CC..Hα-helixtrans-60.3-44.4175.8-167.394.1000111.8V750 N752 L756 C757 D758 L775 L804 H806 L960V750-W754 WeakPolarHBondContact O-CB 3.44Å; V750-W754 PolarHBondContact O-N 2.71Å; N752-W754 VanDerWaalsContact C-N 3.29Å; N752-W754 PolarHBondContact O-N 3.29Å; W754-L756 PolarHBondContact O-N 3.45Å; W754-C757 PolarHBondContact O-N 3.06Å; W754-D758 HydrophobicContact CE3-CB 4.04Å; W754-D758 HydrophobicContact CH2-CB 4.07Å; W754-D758 HydrophobicContact CZ3-CB 3.71Å; W754-D758 VanDerWaalsContact O-CB 3.29Å; W754-D758 WeakPolarHBondContact O-CB 3.42Å; W754-D758 PolarHBondContact O-N 3.38Å; W754-L775 HydrophobicContact CB-CD1 4.28Å; W754-L775 HydrophobicContact CB-CD2 3.91Å; W754-L775 HydrophobicContact CG-CD1 4.43Å; W754-L804 PolarHBondContact NE1-O 3.2Å; W754-H806 HydrophobicContact CD2-CB 4Å; W754-H806 AromaticContact CD2-CD2 3.6Å; W754-H806 HydrophobicContact CE3-CB 4.31Å; W754-H806 AromaticContact CE3-CD2 3.64Å; W754-H806 AromaticContact CG-CD2 3.9Å; W754-H806 HydrophobicContact CH2-CB 4.03Å; W754-H806 HydrophobicContact CZ2-CB 3.67Å; W754-H806 HydrophobicContact CZ3-CB 4.33Å; W754-L960 HydrophobicContact CD2-CD1 4Å; W754-L960 HydrophobicContact CG-CD1 4.3Å; W754-L960 HydrophobicContact CH2-CD1 4.47Å; W754-L960 HydrophobicContact CZ2-CB 3.88Å; W754-L960 HydrophobicContact CZ2-CD1 3.79Å; W754-L960 HydrophobicContact CZ2-CG 4.42Å
755K94.6Very high91.2Very high40 Ų4034 Ų3417%0.17417%0.168CC..Hα-helixtrans-67-34.2178.2-68.2165.5-167.91560112.8W716 E751 N752 I753 F759W716-K755 HydrophobicContact CB-CD 4.03Å; W716-K755 HydrophobicContact CD2-CB 4.03Å; W716-K755 HydrophobicContact CD2-CD 3.79Å; W716-K755 HydrophobicContact CD2-CG 4.41Å; W716-K755 HydrophobicContact CE3-CB 4.03Å; W716-K755 HydrophobicContact CE3-CD 4.01Å; W716-K755 HydrophobicContact CG-CD 3.79Å; W716-K755 HydrophobicContact CH2-CB 3.91Å; W716-K755 HydrophobicContact CZ2-CB 3.88Å; W716-K755 HydrophobicContact CZ3-CB 3.96Å; E751-K755 VanDerWaalsContact CD-NZ 3.32Å; E751-K755 VanDerWaalsContact CG-NZ 3.34Å; E751-K755 VanDerWaalsContact O-CD 3.26Å; E751-K755 WeakPolarHBondContact O-CD 3.4Å; E751-K755 VanDerWaalsContact O-CE 3.24Å; E751-K755 WeakPolarHBondContact O-CE 3.43Å; E751-K755 WeakPolarHBondContact O-CG 3.37Å; E751-K755 PolarHBondContact O-NZ 3.17Å; E751-K755 WeakPolarHBondContact OE1-CE 3.15Å; E751-K755 IonicContact OE1-NZ 3.51Å; E751-K755 PolarHBondContact OE1-NZ 3.01Å; N752-K755 PolarHBondContact O-N 3.45Å; I753-K755 PolarHBondContact O-N 3.13Å; K755-F759 WeakPolarHBondContact O-CB 3.11Å; K755-F759 PolarHBondContact O-N 2.8Å
756L94.6Very high90.8Very high1 Ų137.8 Ų37.81%0.00519%0.192CC..Hα-helixtrans-67.1-47.2170.7-74.8170.1000111.2L611 V613 F712 W716 F719 V743 N752 I753 W754 D758 F759 Y760L611-L756 HydrophobicContact CD2-CD2 4.5Å; V613-L756 HydrophobicContact CG1-CD1 4.07Å; V613-L756 HydrophobicContact CG2-CD1 4.13Å; F712-L756 HydrophobicContact CE1-CD1 3.83Å; F712-L756 HydrophobicContact CZ-CD1 3.68Å; W716-L756 HydrophobicContact CH2-CD2 4.06Å; W716-L756 HydrophobicContact CH2-CG 4.29Å; W716-L756 HydrophobicContact CZ3-CG 4.46Å; F719-L756 HydrophobicContact CE1-CD2 4.32Å; F719-L756 HydrophobicContact CZ-CD2 4.39Å; V743-L756 HydrophobicContact CG1-CD1 4.46Å; N752-L756 PolarHBondContact O-N 3.44Å; I753-L756 PolarHBondContact O-N 3.3Å; W754-L756 PolarHBondContact O-N 3.45Å; L756-D758 VanDerWaalsContact C-N 3.32Å; L756-D758 PolarHBondContact O-N 3.06Å; L756-F759 WeakPolarHBondContact O-CB 3.07Å; L756-F759 PolarHBondContact O-N 2.83Å; L756-Y760 VanDerWaalsContact O-CD2 3.24Å; L756-Y760 WeakPolarHBondContact O-CD2 3.44Å; L756-Y760 PolarHBondContact O-N 2.91Å
757C94.5Very high90.6Very high0 Ų037.7 Ų37.70%019%0.191CC..Hα-helixtrans-60.1-42.7177.1-67.20000112.1I753 W754 Y760 M761 P768 L771 L772 L775 L960I753-C757 PolarHBondContact O-N 3.09Å; I753-C757 PolarHBondContact O-SG 2.82Å; W754-C757 PolarHBondContact O-N 3.06Å; C757-Y760 PolarHBondContact O-N 3.17Å; C757-M761 VanDerWaalsContact O-CG 3.31Å; C757-M761 WeakPolarHBondContact O-CG 3.46Å; C757-M761 PolarHBondContact O-N 3.24Å; C757-P768 HydrophobicContact CB-CG 4.48Å; C757-L771 WeakPolarHBondContact SG-CB 3.35Å; C757-L772 HydrophobicContact CB-CD2 3.83Å; C757-L775 HydrophobicContact CB-CD1 4.05Å; C757-L960 HydrophobicContact CB-CD1 3.82Å; C757-L960 HydrophobicContact CB-CD2 4.35Å
758D92.6Very high90.6Very high30 Ų3036.1 Ų36.116%0.1618%0.181CC..Hα-helixtrans-59.8-45.9175.4178.756000111.5W754 L756 K762 L960W754-D758 HydrophobicContact CE3-CB 4.04Å; W754-D758 HydrophobicContact CH2-CB 4.07Å; W754-D758 HydrophobicContact CZ3-CB 3.71Å; W754-D758 VanDerWaalsContact O-CB 3.29Å; W754-D758 WeakPolarHBondContact O-CB 3.42Å; W754-D758 PolarHBondContact O-N 3.38Å; L756-D758 VanDerWaalsContact C-N 3.32Å; L756-D758 PolarHBondContact O-N 3.06Å; D758-K762 WeakPolarHBondContact O-CB 3.33Å; D758-K762 WeakPolarHBondContact O-CD 3.03Å; D758-K762 WeakPolarHBondContact O-CG 3.32Å; D758-K762 PolarHBondContact O-N 2.92Å; D758-K762 VanDerWaalsContact OD1-CE 3.31Å; D758-K762 WeakPolarHBondContact OD1-CE 3.28Å; D758-K762 IonicContact OD1-NZ 2.75Å; D758-K762 PolarHBondContact OD1-NZ 2.98Å; D758-K762 IonicContact OD2-NZ 3.58Å; D758-K762 PolarHBondContact OD2-NZ 3.4Å; D758-L960 HydrophobicContact CB-CD1 3.95Å
759F92.5Very high90.6Very high10 Ų1033.7 Ų33.74%0.04418%0.175CC..Hα-helixtrans-62.5-47.4175.7178.8-94.2000112.5L601 E602 V605 L611 K755 L756 M761 K762 H763 L765L601-F759 HydrophobicContact CD1-CE1 4.02Å; L601-F759 HydrophobicContact CD1-CE2 4.11Å; L601-F759 HydrophobicContact CD1-CZ 3.54Å; L601-F759 HydrophobicContact CD2-CD1 4.47Å; L601-F759 HydrophobicContact CD2-CD2 3.75Å; L601-F759 HydrophobicContact CD2-CE1 4.22Å; L601-F759 HydrophobicContact CD2-CE2 3.46Å; L601-F759 VanDerWaalsContact CD2-CE2 3.46Å; L601-F759 HydrophobicContact CD2-CG 4.25Å; L601-F759 HydrophobicContact CD2-CZ 3.71Å; L601-F759 HydrophobicContact CG-CD2 4.24Å; L601-F759 HydrophobicContact CG-CE1 4.21Å; L601-F759 HydrophobicContact CG-CE2 3.42Å; L601-F759 VanDerWaalsContact CG-CE2 3.42Å; L601-F759 HydrophobicContact CG-CZ 3.4Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.41Å; V605-F759 HydrophobicContact CG2-CE1 4.26Å; V605-F759 HydrophobicContact CG2-CE2 4.24Å; V605-F759 HydrophobicContact CG2-CZ 3.47Å; V605-F759 VanDerWaalsContact CG2-CZ 3.47Å; L611-F759 HydrophobicContact CD2-CD1 4.31Å; L611-F759 HydrophobicContact CD2-CE1 4.01Å; K755-F759 WeakPolarHBondContact O-CB 3.11Å; K755-F759 PolarHBondContact O-N 2.8Å; L756-F759 WeakPolarHBondContact O-CB 3.07Å; L756-F759 PolarHBondContact O-N 2.83Å; F759-M761 PolarHBondContact O-N 3.42Å; F759-K762 PolarHBondContact O-N 2.85Å; F759-H763 AromaticContact CD2-CD2 3.46Å; F759-H763 VanDerWaalsContact CD2-CD2 3.46Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.48Å; F759-H763 AromaticContact CD2-NE2 3.72Å; F759-H763 AromaticContact CE1-CD2 3.91Å; F759-H763 AromaticContact CE2-CD2 3.22Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.22Å; F759-H763 AromaticContact CE2-NE2 3.21Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.34Å; F759-H763 AromaticContact CG-CD2 3.9Å; F759-H763 AromaticContact CZ-CD2 3.47Å; F759-H763 VanDerWaalsContact CZ-CD2 3.47Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.31Å; F759-H763 AromaticContact CZ-NE2 3.73Å; F759-H763 WeakPolarHBondContact O-CB 3.46Å; F759-H763 PolarHBondContact O-CD2 2.92Å; F759-H763 PolarHBondContact O-N 3.46Å; F759-L765 HydrophobicContact CE1-CD1 4.4Å
760Y91.5Very high90.5Very high16 Ų1636.4 Ų36.46%0.06319%0.186CC..Hα-helixtrans-57-49.5177-91.9-116.4000111.3A338 L611 V613 L756 C757 K762 H763 K764 L765 P766 P768A338-Y760 HydrophobicContact CB-CE1 4.28Å; L611-Y760 HydrophobicContact CD2-CD2 4.39Å; L611-Y760 HydrophobicContact CD2-CE2 3.54Å; L611-Y760 HydrophobicContact CG-CE2 4.05Å; L611-Y760 PolarHBondContact O-OH 2.77Å; L611-Y760 VanDerWaalsContact O-OH 3.13Å; V613-Y760 HydrophobicContact CG2-CE2 4.23Å; L756-Y760 VanDerWaalsContact O-CD2 3.24Å; L756-Y760 WeakPolarHBondContact O-CD2 3.44Å; L756-Y760 PolarHBondContact O-N 2.91Å; C757-Y760 PolarHBondContact O-N 3.17Å; Y760-K762 PolarHBondContact O-N 3.11Å; Y760-H763 PolarHBondContact O-N 3.25Å; Y760-K764 PolarHBondContact O-N 3.01Å; Y760-L765 HydrophobicContact CD1-CB 3.4Å; Y760-L765 HydrophobicContact CD1-CD1 3.85Å; Y760-L765 HydrophobicContact CD1-CG 4.25Å; Y760-L765 HydrophobicContact CD2-CD1 3.98Å; Y760-L765 HydrophobicContact CE1-CB 4.04Å; Y760-L765 HydrophobicContact CE1-CD1 4.02Å; Y760-L765 HydrophobicContact CE2-CD1 4.18Å; Y760-L765 HydrophobicContact CG-CB 3.83Å; Y760-L765 HydrophobicContact CG-CD1 3.82Å; Y760-L765 HydrophobicContact CG-CG 4.37Å; Y760-L765 PolarHBondContact O-N 3.31Å; Y760-P766 WeakPolarHBondContact CD1-O 3.29Å; Y760-P768 HydrophobicContact CD1-CB 4.36Å; Y760-P768 HydrophobicContact CD1-CG 4.22Å; Y760-P768 HydrophobicContact CG-CG 4.25Å
761M88Confident90.7Very high16 Ų1635.9 Ų35.98%0.07918%0.182CC..Hα-helixtrans-62.6-43.4178.4-67.2-61.2-52.400112C757 F759 H763 K764 R767 E958 L960C757-M761 VanDerWaalsContact O-CG 3.31Å; C757-M761 WeakPolarHBondContact O-CG 3.46Å; C757-M761 PolarHBondContact O-N 3.24Å; F759-M761 PolarHBondContact O-N 3.42Å; M761-H763 VanDerWaalsContact C-N 3.26Å; M761-H763 PolarHBondContact O-N 2.87Å; M761-K764 PolarHBondContact O-N 3.02Å; M761-R767 HydrophobicContact SD-CB 4.28Å; M761-R767 HydrophobicContact SD-CG 3.96Å; M761-E958 HydrophobicContact CE-CB 3.81Å; M761-E958 HydrophobicContact CE-CG 4.08Å; M761-L960 HydrophobicContact CG-CD2 4.06Å
762K86.9Confident90.8Very high87 Ų8732.4 Ų32.438%0.37817%0.166SC..Hα-helixtrans-63-29.4178.4-82.5162.7166.61500113.9I576 D758 F759 Y760I576-K762 HydrophobicContact CD1-CB 4.37Å; I576-K762 HydrophobicContact CD1-CD 3.85Å; I576-K762 HydrophobicContact CD1-CG 4.19Å; D758-K762 WeakPolarHBondContact O-CB 3.33Å; D758-K762 WeakPolarHBondContact O-CD 3.03Å; D758-K762 WeakPolarHBondContact O-CG 3.32Å; D758-K762 PolarHBondContact O-N 2.92Å; D758-K762 VanDerWaalsContact OD1-CE 3.31Å; D758-K762 WeakPolarHBondContact OD1-CE 3.28Å; D758-K762 IonicContact OD1-NZ 2.75Å; D758-K762 PolarHBondContact OD1-NZ 2.98Å; D758-K762 IonicContact OD2-NZ 3.58Å; D758-K762 PolarHBondContact OD2-NZ 3.4Å; F759-K762 PolarHBondContact O-N 2.85Å; Y760-K762 PolarHBondContact O-N 3.11Å
763H86.8Confident90.7Very high17 Ų1732.8 Ų32.88%0.07918%0.176CC..THydrogen-bonded Turntrans-99.18.4-179-76.8-64.7000114.7I576 W577 E602 F759 Y760 M761 L765I576-H763 WeakPolarHBondContact CG2-CE1 3.21Å; W577-H763 PolarHBondContact O-CE1 3.46Å; W577-H763 VanDerWaalsContact O-CE1 3.29Å; W577-H763 PolarHBondContact O-ND1 2.92Å; E602-H763 IonicContact OE1-CE1 3.45Å; E602-H763 IonicContact OE1-NE2 3.54Å; E602-H763 PolarHBondContact OE1-NE2 2.74Å; E602-H763 IonicContact OE2-CE1 3.97Å; E602-H763 PolarHBondContact OE2-CE1 2.9Å; E602-H763 IonicContact OE2-NE2 2.59Å; E602-H763 PolarHBondContact OE2-NE2 3.33Å; E602-H763 VanDerWaalsContact OE2-NE2 3.08Å; F759-H763 AromaticContact CD2-CD2 3.46Å; F759-H763 VanDerWaalsContact CD2-CD2 3.46Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.48Å; F759-H763 AromaticContact CD2-NE2 3.72Å; F759-H763 AromaticContact CE1-CD2 3.91Å; F759-H763 AromaticContact CE2-CD2 3.22Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.22Å; F759-H763 AromaticContact CE2-NE2 3.21Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.34Å; F759-H763 AromaticContact CG-CD2 3.9Å; F759-H763 AromaticContact CZ-CD2 3.47Å; F759-H763 VanDerWaalsContact CZ-CD2 3.47Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.31Å; F759-H763 AromaticContact CZ-NE2 3.73Å; F759-H763 WeakPolarHBondContact O-CB 3.46Å; F759-H763 PolarHBondContact O-CD2 2.92Å; F759-H763 PolarHBondContact O-N 3.46Å; Y760-H763 PolarHBondContact O-N 3.25Å; M761-H763 VanDerWaalsContact C-N 3.26Å; M761-H763 PolarHBondContact O-N 2.87Å; H763-L765 HydrophobicContact CB-CG 4.06Å; H763-L765 PolarHBondContact O-N 2.88Å
764K82.6Confident90.6Very high99 Ų9933.8 Ų33.843%0.4318%0.181SC..THydrogen-bonded Turntrans54.630.5-174.3-59.7-179.2165.3-171.30114D580 Y760 M761D580-K764 WeakPolarHBondContact OD2-CE 3.16Å; D580-K764 IonicContact OD2-NZ 3.72Å; D580-K764 PolarHBondContact OD2-NZ 3.33Å; Y760-K764 PolarHBondContact O-N 3.01Å; M761-K764 PolarHBondContact O-N 3.02Å
765L84.6Confident90.6Very high17 Ų1732.7 Ų32.79%0.08918%0.177CC..  trans-70.2159.2171.6-58.6-171.2000110.1A338 L340 F759 Y760 H763 R767A338-L765 HydrophobicContact CB-CD2 4.5Å; L340-L765 HydrophobicContact CD1-CD1 4.4Å; L340-L765 HydrophobicContact CD1-CD2 4.2Å; L340-L765 HydrophobicContact CD2-CD2 3.71Å; L340-L765 HydrophobicContact CG-CD2 3.69Å; F759-L765 HydrophobicContact CE1-CD1 4.4Å; Y760-L765 HydrophobicContact CD1-CB 3.4Å; Y760-L765 HydrophobicContact CD1-CD1 3.85Å; Y760-L765 HydrophobicContact CD1-CG 4.25Å; Y760-L765 HydrophobicContact CD2-CD1 3.98Å; Y760-L765 HydrophobicContact CE1-CB 4.04Å; Y760-L765 HydrophobicContact CE1-CD1 4.02Å; Y760-L765 HydrophobicContact CE2-CD1 4.18Å; Y760-L765 HydrophobicContact CG-CB 3.83Å; Y760-L765 HydrophobicContact CG-CD1 3.82Å; Y760-L765 HydrophobicContact CG-CG 4.37Å; Y760-L765 PolarHBondContact O-N 3.31Å; H763-L765 HydrophobicContact CB-CG 4.06Å; H763-L765 PolarHBondContact O-N 2.88Å; L765-R767 PolarHBondContact O-N 2.92Å
766P86.3Confident90.5Very high79 Ų7932 Ų3251%0.51318%0.177SC..  trans-49.1125.7174-27.835.9000111A338 Y760 P768A338-P766 HydrophobicContact CB-CG 4.36Å; Y760-P766 WeakPolarHBondContact CD1-O 3.29Å; P766-P768 VanDerWaalsContact O-CD 3.3Å; P766-P768 WeakPolarHBondContact O-CD 3.39Å; P766-P768 VanDerWaalsContact O-N 3.11Å
767R87.8Confident90.3Very high53 Ų5336.5 Ų36.520%0.220%0.198CC..  trans-59.2114-175177.5174.8173.288.3-11.6109.5M761 L765 G769 L772 H1024M761-R767 HydrophobicContact SD-CB 4.28Å; M761-R767 HydrophobicContact SD-CG 3.96Å; L765-R767 PolarHBondContact O-N 2.92Å; R767-G769 VanDerWaalsContact C-N 3.34Å; R767-G769 PolarHBondContact O-N 3.4Å; R767-L772 HydrophobicContact CG-CD1 3.74Å; R767-H1024 WeakPolarHBondContact CD-NE2 3.23Å; R767-H1024 PolarHBondContact NE-CD2 3.07Å; R767-H1024 VanDerWaalsContact NE-CD2 3.31Å; R767-H1024 PolarHBondContact NE-NE2 2.73Å
768P90.7Very high90Very high7 Ų739.8 Ų39.85%0.04521%0.211CC..  trans-8081.2-167.231.9-35.9000110.9C757 Y760 P766 H770 L771 L772C757-P768 HydrophobicContact CB-CG 4.48Å; Y760-P768 HydrophobicContact CD1-CB 4.36Å; Y760-P768 HydrophobicContact CD1-CG 4.22Å; Y760-P768 HydrophobicContact CG-CG 4.25Å; P766-P768 VanDerWaalsContact O-CD 3.3Å; P766-P768 WeakPolarHBondContact O-CD 3.39Å; P766-P768 VanDerWaalsContact O-N 3.11Å; P768-H770 VanDerWaalsContact C-N 3.33Å; P768-H770 PolarHBondContact O-N 3.3Å; P768-L771 HydrophobicContact CB-CB 4.1Å; P768-L771 HydrophobicContact CB-CD1 3.92Å; P768-L771 HydrophobicContact CB-CG 4.07Å; P768-L771 HydrophobicContact CG-CB 4.41Å; P768-L771 HydrophobicContact CG-CD1 4.37Å; P768-L771 PolarHBondContact O-N 2.97Å; P768-L771 VanDerWaalsContact O-N 3.15Å; P768-L772 WeakPolarHBondContact O-CG 3.05Å; P768-L772 PolarHBondContact O-N 3.03Å
769G89.9Confident89.7Confident45 Ų4539.2 Ų39.246%0.46421%0.206SC..Hα-helixtrans-56.2-42.8-168.800000113.7R767 L772 G773R767-G769 VanDerWaalsContact C-N 3.34Å; R767-G769 PolarHBondContact O-N 3.4Å; G769-L772 PolarHBondContact O-N 2.85Å; G769-G773 PolarHBondContact O-N 3.38Å
770H90.4Very high89.3Confident97 Ų9741.5 Ų41.545%0.44922%0.219SC..Hα-helixtrans-63.2-45.5177.8-179.7-139.9000112.4D335 P768 L772 G773 I774D335-H770 WeakPolarHBondContact OD2-CB 3.48Å; P768-H770 VanDerWaalsContact C-N 3.33Å; P768-H770 PolarHBondContact O-N 3.3Å; H770-L772 VanDerWaalsContact C-N 3.33Å; H770-L772 PolarHBondContact O-N 3.21Å; H770-G773 PolarHBondContact O-N 3.02Å; H770-G773 VanDerWaalsContact O-N 3.14Å; H770-I774 PolarHBondContact O-N 2.89Å; H770-I774 VanDerWaalsContact O-N 3.15Å
771L94.4Very high89.1Confident8 Ų844 Ų444%0.04223%0.231CC..Hα-helixtrans-63.3-38.4177.5-59.8-172.9000112.2V613 V615 I753 C757 P768 G773 I774 L775V613-L771 HydrophobicContact CB-CD1 4.29Å; V613-L771 HydrophobicContact CG1-CD1 3.98Å; V613-L771 HydrophobicContact CG1-CD2 4.23Å; V615-L771 HydrophobicContact CG2-CD2 3.35Å; I753-L771 HydrophobicContact CG2-CB 3.93Å; I753-L771 HydrophobicContact CG2-CD2 4.29Å; C757-L771 WeakPolarHBondContact SG-CB 3.35Å; P768-L771 HydrophobicContact CB-CB 4.1Å; P768-L771 HydrophobicContact CB-CD1 3.92Å; P768-L771 HydrophobicContact CB-CG 4.07Å; P768-L771 HydrophobicContact CG-CB 4.41Å; P768-L771 HydrophobicContact CG-CD1 4.37Å; P768-L771 PolarHBondContact O-N 2.97Å; P768-L771 VanDerWaalsContact O-N 3.15Å; L771-G773 VanDerWaalsContact C-N 3.33Å; L771-I774 HydrophobicContact CD2-CD1 4.48Å; L771-I774 PolarHBondContact O-N 3.14Å; L771-L775 WeakPolarHBondContact O-CG 3.49Å; L771-L775 PolarHBondContact O-N 2.65Å
772L93.8Very high88.7Confident12 Ų1247 Ų476%0.06325%0.245CC..Hα-helixtrans-64.9-37.6174.2-64.5177.7000111.9C757 R767 P768 G769 H770 L775 S776 L804 L960C757-L772 HydrophobicContact CB-CD2 3.83Å; R767-L772 HydrophobicContact CG-CD1 3.74Å; P768-L772 WeakPolarHBondContact O-CG 3.05Å; P768-L772 PolarHBondContact O-N 3.03Å; G769-L772 PolarHBondContact O-N 2.85Å; H770-L772 VanDerWaalsContact C-N 3.33Å; H770-L772 PolarHBondContact O-N 3.21Å; L772-L775 HydrophobicContact CD2-CD1 4.3Å; L772-L775 PolarHBondContact O-N 3.41Å; L772-S776 PolarHBondContact O-N 3.33Å; L772-S776 PolarHBondContact O-OG 2.99Å; L772-S776 VanDerWaalsContact O-OG 3.14Å; L772-L804 HydrophobicContact CB-CD2 4.29Å; L772-L804 HydrophobicContact CD2-CD1 4.24Å; L772-L804 HydrophobicContact CD2-CD2 4.27Å; L772-L960 HydrophobicContact CD2-CD2 3.64Å
773G92.8Very high88Confident32 Ų3244.1 Ų44.133%0.3323%0.232SC..Hα-helixtrans-57.4-47.3173.900000112.8G769 H770 L771 L775 S776 Q777G769-G773 PolarHBondContact O-N 3.38Å; H770-G773 PolarHBondContact O-N 3.02Å; H770-G773 VanDerWaalsContact O-N 3.14Å; L771-G773 VanDerWaalsContact C-N 3.33Å; G773-L775 VanDerWaalsContact C-N 3.31Å; G773-L775 PolarHBondContact O-N 3.03Å; G773-S776 WeakPolarHBondContact CA-OG 3.41Å; G773-S776 PolarHBondContact O-N 3.26Å; G773-S776 PolarHBondContact O-OG 3.44Å; G773-Q777 WeakPolarHBondContact O-CB 3.35Å; G773-Q777 PolarHBondContact O-N 2.9Å
774I93.3Very high87.2Confident20 Ų2048.2 Ų48.210%0.10325%0.252CS..Hα-helixtrans-58.2-43.4175.8-63167.1000110.9V615 I753 H770 L771 Q777 R778V615-I774 HydrophobicContact CB-CD1 4.36Å; V615-I774 HydrophobicContact CG1-CD1 3.79Å; V615-I774 HydrophobicContact CG2-CD1 3.76Å; I753-I774 HydrophobicContact CD1-CG2 4.22Å; H770-I774 PolarHBondContact O-N 2.89Å; H770-I774 VanDerWaalsContact O-N 3.15Å; L771-I774 HydrophobicContact CD2-CD1 4.48Å; L771-I774 PolarHBondContact O-N 3.14Å; I774-Q777 PolarHBondContact O-N 2.99Å; I774-R778 HydrophobicContact CG2-CG 4.43Å; I774-R778 WeakPolarHBondContact O-CB 3.44Å; I774-R778 VanDerWaalsContact O-CG 3.25Å; I774-R778 WeakPolarHBondContact O-CG 3.49Å; I774-R778 PolarHBondContact O-N 3.16Å
775L93.3Very high86.5Confident1 Ų150 Ų501%0.00527%0.265CS..Hα-helixtrans-64.2-43.9178-64.5172.6000112V750 I753 W754 C757 L771 L772 G773 R779 L804V750-L775 HydrophobicContact CG1-CD2 3.75Å; V750-L775 WeakPolarHBondContact O-CD2 3.21Å; I753-L775 HydrophobicContact CB-CD2 4.29Å; I753-L775 HydrophobicContact CG2-CD1 4.3Å; I753-L775 HydrophobicContact CG2-CD2 3.97Å; I753-L775 HydrophobicContact CG2-CG 3.99Å; W754-L775 HydrophobicContact CB-CD1 4.28Å; W754-L775 HydrophobicContact CB-CD2 3.91Å; W754-L775 HydrophobicContact CG-CD1 4.43Å; C757-L775 HydrophobicContact CB-CD1 4.05Å; L771-L775 WeakPolarHBondContact O-CG 3.49Å; L771-L775 PolarHBondContact O-N 2.65Å; L772-L775 HydrophobicContact CD2-CD1 4.3Å; L772-L775 PolarHBondContact O-N 3.41Å; G773-L775 VanDerWaalsContact C-N 3.31Å; G773-L775 PolarHBondContact O-N 3.03Å; L775-R779 VanDerWaalsContact O-CG 3.25Å; L775-R779 WeakPolarHBondContact O-CG 3.44Å; L775-R779 PolarHBondContact O-N 3.29Å; L775-L804 HydrophobicContact CB-CD2 4.39Å
776S92.3Very high85.5Confident26 Ų2655.9 Ų55.918%0.18229%0.292CS..Hα-helixtrans-66.5-40.3177.445.70000113.1L772 G773 R779 L780L772-S776 PolarHBondContact O-N 3.33Å; L772-S776 PolarHBondContact O-OG 2.99Å; L772-S776 VanDerWaalsContact O-OG 3.14Å; G773-S776 WeakPolarHBondContact CA-OG 3.41Å; G773-S776 PolarHBondContact O-N 3.26Å; G773-S776 PolarHBondContact O-OG 3.44Å; S776-R779 PolarHBondContact O-N 3.28Å; S776-L780 PolarHBondContact O-N 3.29Å
777Q90.6Very high84.3Confident95 Ų9558.6 Ų58.644%0.44430%0.298SS..Hα-helixtrans-64.3-47.6179.2175.857.225.800111.1G773 I774 R779 L780 E781G773-Q777 WeakPolarHBondContact O-CB 3.35Å; G773-Q777 PolarHBondContact O-N 2.9Å; I774-Q777 PolarHBondContact O-N 2.99Å; Q777-R779 PolarHBondContact O-N 3.22Å; Q777-L780 WeakPolarHBondContact O-CB 3.49Å; Q777-L780 PolarHBondContact O-N 3.27Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.17Å; Q777-E781 PolarHBondContact NE2-OE1 3.47Å; Q777-E781 PolarHBondContact O-N 2.75Å
778R88.6Confident82.9Confident69 Ų6957.3 Ų57.326%0.2630%0.296SS..Hα-helixtrans-59.9-32.3177.6-71.8-77.2-176.1-142.83113.1P747 V750 I774 L780 E781 E782P747-R778 PolarHBondContact O-NE 2.68Å; P747-R778 PolarHBondContact O-NH2 3.41Å; V750-R778 HydrophobicContact CG1-CB 4.27Å; V750-R778 HydrophobicContact CG2-CB 4.15Å; V750-R778 HydrophobicContact CG2-CG 3.7Å; I774-R778 HydrophobicContact CG2-CG 4.43Å; I774-R778 WeakPolarHBondContact O-CB 3.44Å; I774-R778 VanDerWaalsContact O-CG 3.25Å; I774-R778 WeakPolarHBondContact O-CG 3.49Å; I774-R778 PolarHBondContact O-N 3.16Å; R778-L780 VanDerWaalsContact C-N 3.28Å; R778-L780 PolarHBondContact O-N 3.18Å; R778-E781 WeakPolarHBondContact CD-OE2 3.41Å; R778-E781 IonicContact CZ-OE2 2.66Å; R778-E781 IonicContact NE-OE2 3.33Å; R778-E781 IonicContact NH1-OE2 2.69Å; R778-E781 PolarHBondContact NH1-OE2 3.36Å; R778-E781 PolarHBondContact O-N 3.01Å; R778-E782 WeakPolarHBondContact O-CB 3.4Å; R778-E782 VanDerWaalsContact O-CG 3.23Å; R778-E782 WeakPolarHBondContact O-CG 3.44Å; R778-E782 PolarHBondContact O-N 3.4Å
779R87.1Confident81.3Confident17 Ų1758.9 Ų58.96%0.06431%0.306CS..Hα-helixtrans-71.2-18.6176.4-70.3-74.7179.8-96.9-15.1114.3L775 S776 Q777 E782 R805 H806 H812L775-R779 VanDerWaalsContact O-CG 3.25Å; L775-R779 WeakPolarHBondContact O-CG 3.44Å; L775-R779 PolarHBondContact O-N 3.29Å; S776-R779 PolarHBondContact O-N 3.28Å; Q777-R779 PolarHBondContact O-N 3.22Å; R779-E782 WeakPolarHBondContact CD-OE2 3.25Å; R779-E782 IonicContact CZ-OE2 3.79Å; R779-E782 IonicContact NE-OE2 2.66Å; R779-E782 IonicContact NH1-OE1 3.69Å; R779-E782 PolarHBondContact NH1-OE1 3.4Å; R779-E782 IonicContact NH1-OE2 2.66Å; R779-E782 PolarHBondContact NH1-OE2 3.18Å; R779-R805 PolarHBondContact NE-O 2.88Å; R779-R805 PolarHBondContact NH2-O 3.41Å; R779-H806 PolarHBondContact NH2-O 3.36Å; R779-H812 PolarHBondContact O-ND1 3.21Å
780L84.8Confident79.9Confident59 Ų5961.3 Ų61.331%0.30932%0.316SS..Hα-helixtrans-79.4-53.4169.3-62.1171.1000109.4S776 Q777 R778 E782 Q783 E784 M797 H812S776-L780 PolarHBondContact O-N 3.29Å; Q777-L780 WeakPolarHBondContact O-CB 3.49Å; Q777-L780 PolarHBondContact O-N 3.27Å; R778-L780 VanDerWaalsContact C-N 3.28Å; R778-L780 PolarHBondContact O-N 3.18Å; L780-E782 PolarHBondContact O-N 2.61Å; L780-Q783 WeakPolarHBondContact O-CB 3.47Å; L780-Q783 PolarHBondContact O-N 3.01Å; L780-E784 PolarHBondContact O-N 2.72Å; L780-M797 HydrophobicContact CD2-CE 3.77Å; L780-H812 HydrophobicContact CD2-CB 4.04Å
781E85.4Confident79.1Confident67 Ų6761.6 Ų61.631%0.31331%0.313SS..Hα-helixtrans-56.4-46.8-179.2-64.6168.4-172.900113.2Q777 R778 Q783 E784 L785Q777-E781 WeakPolarHBondContact CG-OE1 3.17Å; Q777-E781 PolarHBondContact NE2-OE1 3.47Å; Q777-E781 PolarHBondContact O-N 2.75Å; R778-E781 WeakPolarHBondContact CD-OE2 3.41Å; R778-E781 IonicContact CZ-OE2 2.66Å; R778-E781 IonicContact NE-OE2 3.33Å; R778-E781 IonicContact NH1-OE2 2.69Å; R778-E781 PolarHBondContact NH1-OE2 3.36Å; R778-E781 PolarHBondContact O-N 3.01Å; E781-Q783 PolarHBondContact O-N 3.07Å; E781-E784 PolarHBondContact O-N 2.59Å; E781-L785 PolarHBondContact O-N 3.35Å
782E80.3Confident78.4Confident81 Ų8164.4 Ų64.438%0.37933%0.333SS..Hα-helixtrans-55.6-32.2175.6-77.9170.2175.100112.7R778 R779 L780 H786R778-E782 WeakPolarHBondContact O-CB 3.4Å; R778-E782 VanDerWaalsContact O-CG 3.23Å; R778-E782 WeakPolarHBondContact O-CG 3.44Å; R778-E782 PolarHBondContact O-N 3.4Å; R779-E782 WeakPolarHBondContact CD-OE2 3.25Å; R779-E782 IonicContact CZ-OE2 3.79Å; R779-E782 IonicContact NE-OE2 2.66Å; R779-E782 IonicContact NH1-OE1 3.69Å; R779-E782 PolarHBondContact NH1-OE1 3.4Å; R779-E782 IonicContact NH1-OE2 2.66Å; R779-E782 PolarHBondContact NH1-OE2 3.18Å; L780-E782 PolarHBondContact O-N 2.61Å; E782-H786 WeakPolarHBondContact O-CB 3.41Å
783Q73.2Confident78.1Confident25 Ų2564.7 Ų64.712%0.11733%0.334CS..Hα-helixtrans-82.2-37-177.3-168.2-147.2-45.500112.2L780 E781 L785 H786 Q787L780-Q783 WeakPolarHBondContact O-CB 3.47Å; L780-Q783 PolarHBondContact O-N 3.01Å; E781-Q783 PolarHBondContact O-N 3.07Å; Q783-L785 PolarHBondContact O-N 2.63Å; Q783-H786 PolarHBondContact O-N 3.26Å; Q783-H786 VanDerWaalsContact O-N 3.09Å; Q783-Q787 PolarHBondContact O-N 3.03Å
784E70.3Confident77.9Confident103 Ų10363.1 Ų63.148%0.48132%0.319SS..Hα-helixtrans-61.2-31.2177-58.3-154.5122.400111.6L780 E781 Q787 K1041L780-E784 PolarHBondContact O-N 2.72Å; E781-E784 PolarHBondContact O-N 2.59Å; E784-Q787 WeakPolarHBondContact O-CG 3.34Å; E784-Q787 PolarHBondContact O-NE2 2.77Å; E784-K1041 IonicContact OE1-NZ 3.03Å; E784-K1041 PolarHBondContact OE1-NZ 3.35Å
785L66.9Low77.8Confident137 Ų13767.6 Ų67.672%0.71734%0.339SS*.THydrogen-bonded Turntrans-79.4-17.9176.1-168.464.1000114.5E781 Q783E781-L785 PolarHBondContact O-N 3.35Å; Q783-L785 PolarHBondContact O-N 2.63Å
786H63.8Low77.7Confident140 Ų14067.9 Ų67.965%0.64834%0.34SS*.THydrogen-bonded Turntrans-124-8.5-169.7-70.4-2.2000115.2E782 Q783 P788E782-H786 WeakPolarHBondContact O-CB 3.41Å; Q783-H786 PolarHBondContact O-N 3.26Å; Q783-H786 VanDerWaalsContact O-N 3.09Å; H786-P788 VanDerWaalsContact C-CD 3.4Å; H786-P788 VanDerWaalsContact O-CD 3.27Å; H786-P788 WeakPolarHBondContact O-CD 3.12Å; H786-P788 VanDerWaalsContact O-N 3.11Å
787Q61.8Low77.7Confident136 Ų13667 Ų6764%0.63633%0.333SS*.  trans32.757.9165.9-56.5-166.313.800118.1Q783 E784 T789Q783-Q787 PolarHBondContact O-N 3.03Å; E784-Q787 WeakPolarHBondContact O-CG 3.34Å; E784-Q787 PolarHBondContact O-NE2 2.77Å; Q787-T789 HydrophobicContact CB-CG2 4.4Å; Q787-T789 PolarHBondContact O-N 2.87Å
788P56.8Low77.7Confident27 Ų2763.5 Ų63.518%0.17532%0.321CS..  trans-78.966.416735.9-34.8000109.6H786 S790 R791H786-P788 VanDerWaalsContact C-CD 3.4Å; H786-P788 VanDerWaalsContact O-CD 3.27Å; H786-P788 WeakPolarHBondContact O-CD 3.12Å; H786-P788 VanDerWaalsContact O-N 3.11Å; P788-S790 PolarHBondContact O-N 2.99Å; P788-S790 VanDerWaalsContact O-N 3.17Å; P788-R791 HydrophobicContact CB-CG 4.14Å; P788-R791 PolarHBondContact O-N 2.86Å; P788-R791 VanDerWaalsContact O-N 3.15Å
789T58.1Low77.8Confident40 Ų4060.7 Ų60.725%0.24531%0.312CS..THydrogen-bonded Turntrans-62.8-20.9-171.237.50000114Q787 R791 W815 P1044 Y1045Q787-T789 HydrophobicContact CB-CG2 4.4Å; Q787-T789 PolarHBondContact O-N 2.87Å; T789-R791 VanDerWaalsContact C-N 3.3Å; T789-R791 PolarHBondContact O-N 3.49Å; T789-W815 WeakPolarHBondContact O-CZ2 3.46Å; T789-P1044 HydrophobicContact CG2-CG 3.88Å; T789-Y1045 PolarHBondContact OG1-OH 3.49Å
790S60.4Low78.1Confident95 Ų9561 Ų6166%0.66431%0.314SS*.THydrogen-bonded Turntrans-77.4-5.6176.356.20000115P788P788-S790 PolarHBondContact O-N 2.99Å; P788-S790 VanDerWaalsContact O-N 3.17Å
791R72.3Confident78.5Confident104 Ų10458.8 Ų58.839%0.39231%0.305SS..SBendtrans-91.9149.6-171.9-63.6-172.5-172.9153.25.7113.9P788 T789 M809 R811P788-R791 HydrophobicContact CB-CG 4.14Å; P788-R791 PolarHBondContact O-N 2.86Å; P788-R791 VanDerWaalsContact O-N 3.15Å; T789-R791 VanDerWaalsContact C-N 3.3Å; T789-R791 PolarHBondContact O-N 3.49Å; R791-M809 WeakPolarHBondContact CD-O 3.46Å; R791-M809 PolarHBondContact NH1-O 3.1Å; R791-R811 WeakPolarHBondContact O-CB 3.47Å; R791-R811 PolarHBondContact O-NE 3.48Å
792S81.1Confident78.8Confident67 Ų6756 Ų5647%0.46929%0.293SS..PPolyproline II helixtrans-66.4153.4177.555.30000113.1R811S792-R811 PolarHBondContact O-N 2.94Å; S792-R811 VanDerWaalsContact O-N 3.09Å
793L86.8Confident79.4Confident17 Ų1752.2 Ų52.29%0.08928%0.275CS..BIsolated β-bridgetrans-61.8135.2179.8-170.764.7000111.6H795 M797 A798 R811 M814L793-H795 PolarHBondContact O-N 3.4Å; L793-H795 PolarHBondContact O-ND1 3.31Å; L793-M797 HydrophobicContact CD1-CG 4.4Å; L793-A798 HydrophobicContact CD2-CB 3.86Å; L793-A798 HydrophobicContact CG-CB 4.17Å; L793-R811 CarbonylContact C-O 3.44Å; L793-M814 HydrophobicContact CD2-CE 3.93Å; L793-M814 HydrophobicContact CD2-CG 4.28Å
794C89.8Confident80.3Confident0 Ų051.1 Ų51.10%027%0.27CS..PPolyproline II helixtrans-63.2125.9-177.5177.70000110.4Q796 M797 A798 R811 H812C794-Q796 PolarHBondContact O-N 3.33Å; C794-Q796 VanDerWaalsContact O-N 3.16Å; C794-M797 HydrophobicContact CB-CB 3.92Å; C794-M797 WeakPolarHBondContact O-CB 3.4Å; C794-M797 PolarHBondContact O-N 2.92Å; C794-A798 PolarHBondContact O-N 3.26Å; C794-R811 VanDerWaalsContact CB-O 3.25Å; C794-R811 WeakPolarHBondContact CB-O 3.5Å; C794-R811 PolarHBondContact N-O 3.34Å; C794-H812 VanDerWaalsContact CB-CD2 3.41Å; C794-H812 WeakPolarHBondContact CB-CD2 3.47Å
795H89.5Confident81.2Confident114 Ų11449.1 Ų49.153%0.52826%0.258SS..THydrogen-bonded Turntrans-63.6-24-176.2-70.632.7000114L793 A799L793-H795 PolarHBondContact O-N 3.4Å; L793-H795 PolarHBondContact O-ND1 3.31Å; H795-A799 WeakPolarHBondContact O-CB 3.5Å; H795-A799 PolarHBondContact O-N 3.33Å
796Q92.4Very high82.1Confident6 Ų645.2 Ų45.23%0.02824%0.236CC..THydrogen-bonded Turntrans-74.7-44169.9-73.1-161.93.600111.5C794 A799 F800 D802 R805 L960 D961 R962C794-Q796 PolarHBondContact O-N 3.33Å; C794-Q796 VanDerWaalsContact O-N 3.16Å; Q796-A799 PolarHBondContact O-N 3.03Å; Q796-F800 HydrophobicContact CB-CD2 4.34Å; Q796-F800 WeakPolarHBondContact O-CD2 3.46Å; Q796-F800 PolarHBondContact O-N 3.21Å; Q796-D802 CarbonylContact C-O 3.59Å; Q796-D802 VanDerWaalsContact C-O 3.26Å; Q796-R805 HydrophobicContact CG-CG 4.49Å; Q796-L960 PolarHBondContact NE2-O 2.73Å; Q796-D961 PolarHBondContact NE2-O 3.16Å; Q796-R962 VanDerWaalsContact OE1-NH1 3.14Å
797M91.3Very high83Confident7 Ų746 Ų463%0.03424%0.237CC..Hα-helixtrans-58.9-50.9177.4-179.153.381.500110.5L780 L793 C794 A799 F800 G801 D802 H812 M1036L780-M797 HydrophobicContact CD2-CE 3.77Å; L793-M797 HydrophobicContact CD1-CG 4.4Å; C794-M797 HydrophobicContact CB-CB 3.92Å; C794-M797 WeakPolarHBondContact O-CB 3.4Å; C794-M797 PolarHBondContact O-N 2.92Å; M797-A799 PolarHBondContact O-N 2.86Å; M797-F800 PolarHBondContact O-N 3.26Å; M797-G801 WeakPolarHBondContact O-CA 3.46Å; M797-G801 PolarHBondContact O-N 3.13Å; M797-G801 VanDerWaalsContact SD-O 3.39Å; M797-D802 PolarHBondContact N-O 3.42Å; M797-H812 HydrophobicContact CE-CB 3.94Å; M797-H812 HydrophobicContact CG-CB 4.5Å; M797-M1036 HydrophobicContact CG-CG 4.19Å; M797-M1036 HydrophobicContact CG-SD 3.6Å; M797-M1036 VanDerWaalsContact CG-SD 3.6Å; M797-M1036 HydrophobicContact SD-CB 4.19Å; M797-M1036 HydrophobicContact SD-CG 3.85Å; M797-M1036 HydrophobicContact SD-SD 3.73Å
798A90.7Very high84.1Confident22 Ų2240.8 Ų40.818%0.18222%0.216CC..Hα-helixtrans-67.2-1.2174.800000115.4L793 C794 R951L793-A798 HydrophobicContact CD2-CB 3.86Å; L793-A798 HydrophobicContact CG-CB 4.17Å; C794-A798 PolarHBondContact O-N 3.26Å; A798-R951 PolarHBondContact O-NH1 2.87Å
799A91.8Very high85.4Confident10 Ų1045.5 Ų45.58%0.08324%0.237CC..Hα-helixtrans-112.8-34176.800000113.4H795 Q796 M797 R951H795-A799 WeakPolarHBondContact O-CB 3.5Å; H795-A799 PolarHBondContact O-N 3.33Å; Q796-A799 PolarHBondContact O-N 3.03Å; M797-A799 PolarHBondContact O-N 2.86Å; A799-R951 VanDerWaalsContact CB-NH1 3.33Å
800F93.1Very high86.7Confident24 Ų2448.2 Ų48.211%0.10524%0.243CC..Hα-helixtrans-134.5-5.2-165.4-51.9-67.5000114Q796 M797 D802 Q956 R962 K1032Q796-F800 HydrophobicContact CB-CD2 4.34Å; Q796-F800 WeakPolarHBondContact O-CD2 3.46Å; Q796-F800 PolarHBondContact O-N 3.21Å; M797-F800 PolarHBondContact O-N 3.26Å; F800-D802 WeakPolarHBondContact CB-OD1 3.46Å; F800-D802 PolarHBondContact O-N 3.48Å; F800-Q956 HydrophobicContact CE1-CB 3.88Å; F800-Q956 HydrophobicContact CZ-CB 4.09Å; F800-R962 VanDerWaalsContact CD2-CD 3.41Å; F800-R962 HydrophobicContact CE2-CB 4.19Å; F800-R962 HydrophobicContact CE2-CG 4.42Å; F800-K1032 WeakPolarHBondContact O-CB 3.38Å; F800-K1032 WeakPolarHBondContact O-CD 3.35Å
801G92.3Very high88.1Confident12 Ų1243.9 Ų43.912%0.12421%0.213CC..SBendtrans69.811.6-17500000114.7M797M797-G801 WeakPolarHBondContact O-CA 3.46Å; M797-G801 PolarHBondContact O-N 3.13Å; M797-G801 VanDerWaalsContact SD-O 3.39Å
802D93.1Very high88.9Confident9 Ų939.3 Ų39.35%0.04820%0.195CC..SBendtrans-150.6166.6175.861.812000111.7Q796 M797 F800 R962 K1032Q796-D802 CarbonylContact C-O 3.59Å; Q796-D802 VanDerWaalsContact C-O 3.26Å; M797-D802 PolarHBondContact N-O 3.42Å; F800-D802 WeakPolarHBondContact CB-OD1 3.46Å; F800-D802 PolarHBondContact O-N 3.48Å; D802-R962 PolarHBondContact O-NH1 3.02Å; D802-R962 IonicContact OD1-CZ 3.48Å; D802-R962 IonicContact OD1-NH1 2.77Å; D802-R962 PolarHBondContact OD1-NH1 3.46Å; D802-R962 IonicContact OD1-NH2 2.74Å; D802-R962 PolarHBondContact OD1-NH2 3.36Å; D802-R962 IonicContact OD2-NH2 3.66Å; D802-R962 PolarHBondContact OD2-NH2 3.02Å; D802-K1032 HydrophobicContact CB-CD 4.4Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.42Å; D802-K1032 IonicContact OD2-NZ 2.93Å; D802-K1032 PolarHBondContact OD2-NZ 2.68Å
803C92.1Very high89.2Confident1 Ų137 Ų371%0.00718%0.179CC..  trans-129.5124.1176.7-172.40000110.8H812C803-H812 PolarHBondContact SG-NE2 3.26Å
804L92.1Very high89.2Confident2 Ų236.4 Ų36.41%0.0118%0.175CC..  trans-11410-178-60178.5000112.9W754 L772 L775 L960W754-L804 PolarHBondContact NE1-O 3.2Å; L772-L804 HydrophobicContact CB-CD2 4.29Å; L772-L804 HydrophobicContact CD2-CD1 4.24Å; L772-L804 HydrophobicContact CD2-CD2 4.27Å; L775-L804 HydrophobicContact CB-CD2 4.39Å; L804-L960 HydrophobicContact CD1-CD2 4.49Å
805R88.9Confident89.1Confident61 Ų6138.6 Ų38.623%0.2318%0.184CC..  trans-64.5143.7180-68.8176.8166.3174.1-8.1111.9R779 Q796 K807 C808R779-R805 PolarHBondContact NE-O 2.88Å; R779-R805 PolarHBondContact NH2-O 3.41Å; Q796-R805 HydrophobicContact CG-CG 4.49Å; R805-K807 VanDerWaalsContact C-N 3.3Å; R805-K807 WeakPolarHBondContact CB-O 3.48Å; R805-K807 PolarHBondContact O-N 3.02Å; R805-C808 HydrophobicContact CB-CB 4.23Å
806H85.2Confident89.1Confident55 Ų5539.6 Ų39.626%0.25518%0.183SC..SBendtrans-60.5-38.7178-177-117.5000112.8E751 W754 R779E751-H806 IonicContact OE1-CE1 2.73Å; E751-H806 IonicContact OE1-NE2 2.75Å; E751-H806 PolarHBondContact OE1-NE2 2.85Å; E751-H806 IonicContact OE2-CD2 3.67Å; E751-H806 IonicContact OE2-CE1 3.59Å; E751-H806 IonicContact OE2-NE2 2.8Å; E751-H806 PolarHBondContact OE2-NE2 2.95Å; W754-H806 HydrophobicContact CD2-CB 4Å; W754-H806 AromaticContact CD2-CD2 3.6Å; W754-H806 HydrophobicContact CE3-CB 4.31Å; W754-H806 AromaticContact CE3-CD2 3.64Å; W754-H806 AromaticContact CG-CD2 3.9Å; W754-H806 HydrophobicContact CH2-CB 4.03Å; W754-H806 HydrophobicContact CZ2-CB 3.67Å; W754-H806 HydrophobicContact CZ3-CB 4.33Å; R779-H806 PolarHBondContact NH2-O 3.36Å
807K83.6Confident88.7Confident157 Ų15743 Ų4368%0.68320%0.201SC*.SBendtrans-139.6144.9163.7-62.5-172.3178.6-171.50107.9R805R805-K807 VanDerWaalsContact C-N 3.3Å; R805-K807 WeakPolarHBondContact CB-O 3.48Å; R805-K807 PolarHBondContact O-N 3.02Å
808C85.4Confident88.4Confident26 Ų2643.6 Ų43.618%0.17620%0.204CC..  trans-136.1127.2176.3-164.20000110.3R805 H812R805-C808 HydrophobicContact CB-CB 4.23Å; C808-H812 PolarHBondContact SG-NE2 2.91Å
809M83.6Confident88.2Confident127 Ų12744 Ų4463%0.62620%0.204SC*.  trans-94.7-6.5179-57.9-56.9-81.100112.9R791R791-M809 WeakPolarHBondContact CD-O 3.46Å; R791-M809 PolarHBondContact NH1-O 3.1Å
810Y86.2Confident88Confident96 Ų9649.8 Ų49.838%0.37623%0.233SC..SBendtrans-89.7158.3-174.5-61.5-93.2000111.9
811R88.3Confident87.7Confident5 Ų549.2 Ų49.22%0.01923%0.232CC..BIsolated β-bridgetrans-69.1134.5175.3171.7169.356.686.7-6.1110.7R791 S792 L793 C794 V813 W815 E818R791-R811 WeakPolarHBondContact O-CB 3.47Å; R791-R811 PolarHBondContact O-NE 3.48Å; S792-R811 PolarHBondContact O-N 2.94Å; S792-R811 VanDerWaalsContact O-N 3.09Å; L793-R811 CarbonylContact C-O 3.44Å; C794-R811 VanDerWaalsContact CB-O 3.25Å; C794-R811 WeakPolarHBondContact CB-O 3.5Å; C794-R811 PolarHBondContact N-O 3.34Å; R811-V813 VanDerWaalsContact CD-O 3.28Å; R811-V813 WeakPolarHBondContact CD-O 3.29Å; R811-V813 WeakPolarHBondContact CG-O 3.3Å; R811-V813 PolarHBondContact NH1-O 2.85Å; R811-W815 VanDerWaalsContact CZ-CE2 3.43Å; R811-W815 VanDerWaalsContact NH2-CE3 3.29Å; R811-E818 IonicContact CZ-OE1 2.77Å; R811-E818 IonicContact CZ-OE2 2.66Å; R811-E818 IonicContact NH1-OE1 2.75Å; R811-E818 PolarHBondContact NH1-OE1 3.38Å; R811-E818 IonicContact NH1-OE2 2.93Å; R811-E818 PolarHBondContact NH1-OE2 3.18Å; R811-E818 IonicContact NH2-OE1 3.43Å; R811-E818 PolarHBondContact NH2-OE1 2.89Å; R811-E818 IonicContact NH2-OE2 3.92Å; R811-E818 PolarHBondContact NH2-OE2 3.08Å
812H89.6Confident87.5Confident7 Ų750.4 Ų50.43%0.03224%0.238CC..  trans-1082174.3-48.8120000113.3R779 L780 C794 M797 C803 C808R779-H812 PolarHBondContact O-ND1 3.21Å; L780-H812 HydrophobicContact CD2-CB 4.04Å; C794-H812 VanDerWaalsContact CB-CD2 3.41Å; C794-H812 WeakPolarHBondContact CB-CD2 3.47Å; M797-H812 HydrophobicContact CE-CB 3.94Å; M797-H812 HydrophobicContact CG-CB 4.5Å; C803-H812 PolarHBondContact SG-NE2 3.26Å; C808-H812 PolarHBondContact SG-NE2 2.91Å
813V86.8Confident87.3Confident19 Ų1956.7 Ų56.712%0.11527%0.271CS..SBendtrans-104.4124.2174.5174.20000109.1R811 K1041R811-V813 VanDerWaalsContact CD-O 3.28Å; R811-V813 WeakPolarHBondContact CD-O 3.29Å; R811-V813 WeakPolarHBondContact CG-O 3.3Å; R811-V813 PolarHBondContact NH1-O 2.85Å; V813-K1041 HydrophobicContact CG1-CB 4.07Å; V813-K1041 HydrophobicContact CG1-CD 3.91Å; V813-K1041 HydrophobicContact CG1-CG 3.72Å
814M87.8Confident87.2Confident4 Ų459 Ų592%0.0228%0.281CS..  trans-78.4144.5177.2-165.3162.7-147.100111.3L793 E818 V819 I996 H997 M1036 V1037 S1040 K1041L793-M814 HydrophobicContact CD2-CE 3.93Å; L793-M814 HydrophobicContact CD2-CG 4.28Å; M814-E818 HydrophobicContact CE-CB 3.87Å; M814-E818 HydrophobicContact CG-CB 3.9Å; M814-V819 HydrophobicContact CG-CG2 4.26Å; M814-V819 HydrophobicContact SD-CG2 4.14Å; M814-I996 HydrophobicContact CE-CG2 3.93Å; M814-I996 HydrophobicContact SD-CG2 4.15Å; M814-H997 HydrophobicContact CE-CB 3.75Å; M814-M1036 HydrophobicContact CB-CG 4.23Å; M814-M1036 HydrophobicContact CE-CE 4.48Å; M814-M1036 HydrophobicContact SD-CE 3.67Å; M814-M1036 HydrophobicContact SD-SD 4.25Å; M814-V1037 HydrophobicContact SD-CG2 4.36Å; M814-S1040 VanDerWaalsContact O-CA 3.24Å; M814-S1040 WeakPolarHBondContact O-CA 3.37Å; M814-S1040 WeakPolarHBondContact O-CB 3.43Å; M814-K1041 PolarHBondContact O-N 3.31Å
815W88.3Confident87.3Confident46 Ų4659.1 Ų59.117%0.17428%0.282CS..BIsolated β-bridgetrans-85.8154.2170.7-59.2-47.4000111.6T789 R811 D817 E818 V819 K1041 C1043T789-W815 WeakPolarHBondContact O-CZ2 3.46Å; R811-W815 VanDerWaalsContact CZ-CE2 3.43Å; R811-W815 VanDerWaalsContact NH2-CE3 3.29Å; W815-D817 VanDerWaalsContact C-N 3.34Å; W815-D817 WeakPolarHBondContact CB-OD1 3.04Å; W815-D817 PolarHBondContact O-N 3.12Å; W815-E818 HydrophobicContact CB-CB 4.46Å; W815-E818 HydrophobicContact CB-CG 4.11Å; W815-E818 HydrophobicContact CE3-CG 3.9Å; W815-E818 PolarHBondContact N-OE2 3.49Å; W815-E818 WeakPolarHBondContact O-CB 3.46Å; W815-E818 PolarHBondContact O-N 3.01Å; W815-E818 VanDerWaalsContact O-N 3.14Å; W815-V819 PolarHBondContact O-N 2.88Å; W815-K1041 CarbonylContact C-O 3.56Å; W815-K1041 VanDerWaalsContact CA-O 3.24Å; W815-K1041 WeakPolarHBondContact CA-O 3.36Å; W815-C1043 HydrophobicContact CB-CB 4.46Å; W815-C1043 HydrophobicContact CD2-CB 4.2Å; W815-C1043 HydrophobicContact CG-CB 4.06Å
816R88Confident87.5Confident135 Ų13557.3 Ų57.351%0.50928%0.278SS..Hα-helixtrans-64.5-33.2-178.7-69.2-170.2-171.4141.85.2114E818 V819 K1041 D1042R816-E818 VanDerWaalsContact C-N 3.35Å; R816-V819 PolarHBondContact O-N 3.46Å; R816-K1041 PolarHBondContact N-O 3.46Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.43Å; R816-D1042 IonicContact CZ-OD1 2.73Å; R816-D1042 IonicContact CZ-OD2 3.42Å; R816-D1042 IonicContact NE-OD1 2.66Å; R816-D1042 IonicContact NH1-OD1 3.2Å; R816-D1042 PolarHBondContact NH1-OD1 2.84Å; R816-D1042 IonicContact NH1-OD2 3.22Å; R816-D1042 PolarHBondContact NH1-OD2 2.85Å; R816-D1042 IonicContact NH2-OD2 2.73Å; R816-D1042 PolarHBondContact NH2-OD2 2.73Å
817D83.9Confident87.6Confident79 Ų7959.8 Ų59.842%0.42229%0.288SS..Hα-helixtrans-69-34.117367.3-46.6000111.7W815 V819 M1046W815-D817 VanDerWaalsContact C-N 3.34Å; W815-D817 WeakPolarHBondContact CB-OD1 3.04Å; W815-D817 PolarHBondContact O-N 3.12Å; D817-V819 VanDerWaalsContact C-N 3.33Å; D817-V819 PolarHBondContact O-N 3.26Å; D817-M1046 HydrophobicContact CB-CE 4.06Å
818E85.9Confident87.9Confident19 Ų1958.3 Ų58.39%0.08929%0.288CS..Hα-helixtrans-67.2-29.8175.2-68.2178.9139.300113.3R811 M814 W815 R816 L820 H997R811-E818 IonicContact CZ-OE1 2.77Å; R811-E818 IonicContact CZ-OE2 2.66Å; R811-E818 IonicContact NH1-OE1 2.75Å; R811-E818 PolarHBondContact NH1-OE1 3.38Å; R811-E818 IonicContact NH1-OE2 2.93Å; R811-E818 PolarHBondContact NH1-OE2 3.18Å; R811-E818 IonicContact NH2-OE1 3.43Å; R811-E818 PolarHBondContact NH2-OE1 2.89Å; R811-E818 IonicContact NH2-OE2 3.92Å; R811-E818 PolarHBondContact NH2-OE2 3.08Å; M814-E818 HydrophobicContact CE-CB 3.87Å; M814-E818 HydrophobicContact CG-CB 3.9Å; W815-E818 HydrophobicContact CB-CB 4.46Å; W815-E818 HydrophobicContact CB-CG 4.11Å; W815-E818 HydrophobicContact CE3-CG 3.9Å; W815-E818 PolarHBondContact N-OE2 3.49Å; W815-E818 WeakPolarHBondContact O-CB 3.46Å; W815-E818 PolarHBondContact O-N 3.01Å; W815-E818 VanDerWaalsContact O-N 3.14Å; R816-E818 VanDerWaalsContact C-N 3.35Å; E818-L820 VanDerWaalsContact C-N 3.27Å; E818-L820 PolarHBondContact O-N 3.09Å; E818-H997 WeakPolarHBondContact CA-ND1 3.24Å; E818-H997 WeakPolarHBondContact O-CA 3.3Å; E818-H997 WeakPolarHBondContact O-CB 3.43Å; E818-H997 PolarHBondContact O-N 2.85Å; E818-H997 PolarHBondContact O-ND1 2.92Å
819V87.1Confident88.3Confident31 Ų3158.6 Ų58.619%0.18830%0.295CS..Hα-helixtrans-56.1-42.5-178.3169.50000111.6M814 W815 R816 D817 S821 H997 V1037M814-V819 HydrophobicContact CG-CG2 4.26Å; M814-V819 HydrophobicContact SD-CG2 4.14Å; W815-V819 PolarHBondContact O-N 2.88Å; R816-V819 PolarHBondContact O-N 3.46Å; D817-V819 VanDerWaalsContact C-N 3.33Å; D817-V819 PolarHBondContact O-N 3.26Å; V819-S821 PolarHBondContact O-N 3.31Å; V819-H997 PolarHBondContact O-N 3.42Å; V819-V1037 HydrophobicContact CG1-CG1 3.63Å; V819-V1037 HydrophobicContact CG1-CG2 4.36Å; V819-V1037 HydrophobicContact CG2-CG1 4.2Å; V819-V1037 HydrophobicContact CG2-CG2 4.49Å
820L86.3Confident88.9Confident131 Ų13158.2 Ų58.269%0.68630%0.295SS*.SBendtrans-72128.6-172.3-62.9177.6000112E818E818-L820 VanDerWaalsContact C-N 3.27Å; E818-L820 PolarHBondContact O-N 3.09Å
821S87Confident89.4Confident12 Ų1254.2 Ų54.28%0.08428%0.28CS..PPolyproline II helixtrans-76.3140.5170670000111V819 K827 H997V819-S821 PolarHBondContact O-N 3.31Å; S821-K827 WeakPolarHBondContact OG-CE 3.48Å; S821-H997 WeakPolarHBondContact CA-O 3.36Å
822P88.9Confident89.7Confident37 Ų3759.8 Ų59.824%0.2430%0.301CS..PPolyproline II helixtrans-54.1145174.4-23.232.7000112.5H824 Y825 H997P822-H824 VanDerWaalsContact CB-CE1 3.5Å; P822-H824 WeakPolarHBondContact CB-CE1 3.38Å; P822-H824 PolarHBondContact O-N 2.91Å; P822-H824 VanDerWaalsContact O-N 3.08Å; P822-Y825 HydrophobicContact CB-CD2 3.86Å; P822-Y825 HydrophobicContact CB-CE2 4.21Å; P822-Y825 HydrophobicContact CG-CD2 3.95Å; P822-Y825 HydrophobicContact CG-CE2 3.94Å; P822-Y825 VanDerWaalsContact O-CB 3.28Å; P822-Y825 WeakPolarHBondContact O-CB 3.1Å; P822-Y825 PolarHBondContact O-N 3.45Å; P822-H997 WeakPolarHBondContact CD-O 3.5Å
823D88.2Confident89.9Confident140 Ų14059.5 Ų59.575%0.74930%0.299SS*.THydrogen-bonded Turntrans-66.6-18.9-167.5-67.1-54.8000116.4Y825 K827D823-Y825 VanDerWaalsContact C-N 3.31Å; D823-K827 IonicContact OD1-NZ 3.09Å; D823-K827 PolarHBondContact OD1-NZ 2.78Å; D823-K827 VanDerWaalsContact OD1-NZ 3.15Å
824H90.5Very high90.2Very high49 Ų4959.4 Ų59.423%0.22730%0.298CS..THydrogen-bonded Turntrans-79.1-12.117256.9-78000113.1P822 Q851P822-H824 VanDerWaalsContact CB-CE1 3.5Å; P822-H824 WeakPolarHBondContact CB-CE1 3.38Å; P822-H824 PolarHBondContact O-N 2.91Å; P822-H824 VanDerWaalsContact O-N 3.08Å; H824-Q851 PolarHBondContact O-NE2 2.98Å; H824-Q851 PolarHBondContact O-OE1 2.81Å
825Y93.3Very high90.4Very high6 Ų660.5 Ų60.52%0.02431%0.305CS..SBendtrans-74.2132.8175.5-83-129.8000110.7P822 D823 K827 R945 M948 R998 I1000P822-Y825 HydrophobicContact CB-CD2 3.86Å; P822-Y825 HydrophobicContact CB-CE2 4.21Å; P822-Y825 HydrophobicContact CG-CD2 3.95Å; P822-Y825 HydrophobicContact CG-CE2 3.94Å; P822-Y825 VanDerWaalsContact O-CB 3.28Å; P822-Y825 WeakPolarHBondContact O-CB 3.1Å; P822-Y825 PolarHBondContact O-N 3.45Å; D823-Y825 VanDerWaalsContact C-N 3.31Å; Y825-K827 PolarHBondContact O-N 2.7Å; Y825-R945 HydrophobicContact CE2-CG 4.48Å; Y825-M948 HydrophobicContact CD1-SD 4.42Å; Y825-M948 HydrophobicContact CD2-CE 3.8Å; Y825-M948 HydrophobicContact CD2-CG 4.45Å; Y825-M948 HydrophobicContact CD2-SD 4.18Å; Y825-M948 HydrophobicContact CE1-CB 4.09Å; Y825-M948 HydrophobicContact CE1-CG 4.1Å; Y825-M948 HydrophobicContact CE1-SD 4.4Å; Y825-M948 HydrophobicContact CE2-CE 3.94Å; Y825-M948 HydrophobicContact CE2-CG 3.86Å; Y825-M948 HydrophobicContact CE2-SD 4.18Å; Y825-M948 HydrophobicContact CG-CE 4.38Å; Y825-M948 HydrophobicContact CG-SD 4.31Å; Y825-R998 VanDerWaalsContact CE1-C 3.44Å; Y825-R998 VanDerWaalsContact CE1-O 3.24Å; Y825-R998 WeakPolarHBondContact CE1-O 3.43Å; Y825-R998 PolarHBondContact OH-O 3.4Å; Y825-I1000 HydrophobicContact CD1-CD1 3.87Å; Y825-I1000 HydrophobicContact CD1-CG1 3.56Å; Y825-I1000 HydrophobicContact CE1-CD1 4.22Å; Y825-I1000 HydrophobicContact CE1-CG1 3.93Å
826P93.2Very high90.5Very high22 Ų2259.4 Ų59.414%0.14330%0.303CS..  trans-68.8120.3174.827.1-32.5000109.8I831 L848 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.72Å; P826-I831 HydrophobicContact CG-CG2 3.61Å; P826-L848 HydrophobicContact CG-CD1 3.81Å; P826-V992 HydrophobicContact CB-CG2 4.37Å; P826-V992 HydrophobicContact CG-CG2 4.26Å; P826-I1000 HydrophobicContact CG-CD1 3.99Å
827K88.6Confident90.6Very high107 Ų10754.9 Ų54.947%0.46529%0.29SS..  trans-84.7-21.1-177.2-65.2171-177.1170.10112.6S821 D823 Y825S821-K827 WeakPolarHBondContact OG-CE 3.48Å; D823-K827 IonicContact OD1-NZ 3.09Å; D823-K827 PolarHBondContact OD1-NZ 2.78Å; D823-K827 VanDerWaalsContact OD1-NZ 3.15Å; Y825-K827 PolarHBondContact O-N 2.7Å
828N89.8Confident91Very high127 Ų12751.7 Ų51.768%0.67927%0.273SS*.SBendtrans-158.6178.1172.659.252.3000110.6
829G93.6Very high91.3Very high32 Ų3252.9 Ų52.933%0.3328%0.277SS..EExtended strand (participates in β ladder)trans93.6-177170.700000115.6V991 V992G829-V991 WeakPolarHBondContact O-CA 3.48Å; G829-V992 PolarHBondContact O-N 3.5Å
830L95.3Very high91.5Very high118 Ų11852.1 Ų52.162%0.61827%0.274SS*.EExtended strand (participates in β ladder)trans-81.9130.6176.5-177.972.6000110.1H989 V991L830-H989 HydrophobicContact CD1-CB 4.29Å; L830-V991 HydrophobicContact CD1-CG2 4.03Å
831I96.1Very high91.9Very high12 Ų1246 Ų466%0.06224%0.241CC..EExtended strand (participates in β ladder)trans-120144.4176.556.5164.3000111P826 F833 L848 L950 H989 A990 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.72Å; P826-I831 HydrophobicContact CG-CG2 3.61Å; I831-F833 HydrophobicContact CD1-CD1 3.98Å; I831-F833 HydrophobicContact CD1-CE1 4.21Å; I831-F833 HydrophobicContact CG1-CD1 4.13Å; I831-F833 HydrophobicContact CG1-CE1 4.34Å; I831-L848 HydrophobicContact CB-CD2 4.22Å; I831-L848 HydrophobicContact CD1-CD2 4.09Å; I831-L950 HydrophobicContact CD1-CD1 3.54Å; I831-H989 WeakPolarHBondContact O-CA 3.35Å; I831-H989 WeakPolarHBondContact O-CB 3.3Å; I831-A990 HydrophobicContact CG1-CB 4.35Å; I831-A990 VanDerWaalsContact CG1-O 3.31Å; I831-A990 WeakPolarHBondContact CG1-O 3.47Å; I831-A990 PolarHBondContact N-O 3.13Å; I831-A990 PolarHBondContact O-N 2.93Å; I831-V992 HydrophobicContact CD1-CG2 3.85Å; I831-V992 HydrophobicContact CG1-CG2 4Å; I831-V992 HydrophobicContact CG2-CG2 3.78Å; I831-I1000 HydrophobicContact CD1-CG2 4.44Å
832R95.3Very high92.2Very high123 Ų12345.8 Ų45.846%0.46424%0.241SC..EExtended strand (participates in β ladder)trans-113.6133.1170.1-59.2179.4-72-147.64.6110.1S849 D850 F988 H989R832-S849 PolarHBondContact O-N 2.87Å; R832-D850 WeakPolarHBondContact CB-OD2 3.12Å; R832-D850 IonicContact CZ-OD1 3.23Å; R832-D850 VanDerWaalsContact CZ-OD1 3.3Å; R832-D850 IonicContact CZ-OD2 2.73Å; R832-D850 IonicContact NE-OD1 2.92Å; R832-D850 PolarHBondContact NE-OD1 3.15Å; R832-D850 VanDerWaalsContact NE-OD1 3.14Å; R832-D850 IonicContact NE-OD2 3.24Å; R832-D850 PolarHBondContact NE-OD2 3.45Å; R832-D850 IonicContact NH2-OD1 2.63Å; R832-D850 PolarHBondContact NH2-OD1 3.46Å; R832-D850 IonicContact NH2-OD2 2.67Å; R832-D850 PolarHBondContact NH2-OD2 3.25Å; R832-F988 WeakPolarHBondContact CA-O 3.39Å; R832-H989 HydrophobicContact CG-CB 4.41Å
833F94.4Very high92.5Very high0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-148.1163-171.959.9-91.8000113.7I831 V835 V846 R847 L848 L950 F988 A990 I1005I831-F833 HydrophobicContact CD1-CD1 3.98Å; I831-F833 HydrophobicContact CD1-CE1 4.21Å; I831-F833 HydrophobicContact CG1-CD1 4.13Å; I831-F833 HydrophobicContact CG1-CE1 4.34Å; F833-V835 HydrophobicContact CD2-CG2 4.22Å; F833-V835 HydrophobicContact CE2-CG2 3.96Å; F833-V846 HydrophobicContact CB-CB 4.16Å; F833-V846 HydrophobicContact CB-CG2 4.4Å; F833-V846 HydrophobicContact CD2-CB 3.67Å; F833-V846 HydrophobicContact CD2-CG1 3.5Å; F833-V846 VanDerWaalsContact CD2-CG1 3.5Å; F833-V846 HydrophobicContact CD2-CG2 4.32Å; F833-V846 HydrophobicContact CE2-CB 4.34Å; F833-V846 HydrophobicContact CE2-CG1 3.68Å; F833-V846 HydrophobicContact CG-CB 4.12Å; F833-V846 HydrophobicContact CG-CG1 4.35Å; F833-V846 HydrophobicContact CG-CG2 4.38Å; F833-R847 CarbonylContact C-O 3.58Å; F833-R847 WeakPolarHBondContact CA-O 3.45Å; F833-R847 VanDerWaalsContact CB-O 3.31Å; F833-R847 WeakPolarHBondContact CB-O 3.12Å; F833-L848 HydrophobicContact CB-CD2 4.19Å; F833-L950 HydrophobicContact CE1-CD1 4.18Å; F833-L950 HydrophobicContact CE2-CD2 4.38Å; F833-L950 HydrophobicContact CZ-CD1 4.36Å; F833-L950 HydrophobicContact CZ-CD2 3.98Å; F833-F988 WeakPolarHBondContact CD1-O 3.3Å; F833-F988 HydrophobicContact CD2-CB 4.04Å; F833-F988 HydrophobicContact CE1-CB 4.45Å; F833-F988 HydrophobicContact CE2-CB 3.63Å; F833-F988 HydrophobicContact CZ-CB 3.87Å; F833-F988 PolarHBondContact N-O 2.85Å; F833-F988 PolarHBondContact O-N 2.87Å; F833-A990 HydrophobicContact CE1-CB 3.78Å; F833-A990 HydrophobicContact CZ-CB 4.33Å; F833-I1005 HydrophobicContact CE2-CG2 4.29Å; F833-I1005 HydrophobicContact CZ-CD1 4.21Å; F833-I1005 HydrophobicContact CZ-CG1 4.2Å; F833-I1005 HydrophobicContact CZ-CG2 3.71Å
834L92.3Very high92.8Very high18 Ų1838.2 Ų38.29%0.09420%0.2CC..EExtended strand (participates in β ladder)trans-109.5129.7171.2-17859.3000108.6L836 V846 R847 P862 R986L834-L836 PolarHBondContact O-N 3.42Å; L834-V846 CarbonylContact O-C 3.54Å; L834-V846 WeakPolarHBondContact O-CA 3.34Å; L834-R847 PolarHBondContact N-O 3.29Å; L834-R847 PolarHBondContact O-N 3.14Å; L834-P862 HydrophobicContact CD2-CB 3.58Å; L834-P862 HydrophobicContact CD2-CG 3.57Å; L834-P862 HydrophobicContact CG-CG 4.46Å; L834-R986 WeakPolarHBondContact CD1-O 3.41Å
835V91.9Very high93.1Very high27 Ų2735.9 Ų35.916%0.16419%0.189CC..EExtended strand (participates in β ladder)trans-76.5119.3175.7179.30000109.3F833 L844 V846 F977 F988F833-V835 HydrophobicContact CD2-CG2 4.22Å; F833-V835 HydrophobicContact CE2-CG2 3.96Å; V835-L844 HydrophobicContact CG1-CD1 4.47Å; V835-L844 HydrophobicContact CG2-CD1 4.06Å; V835-V846 HydrophobicContact CG2-CG1 4.35Å; V835-F977 HydrophobicContact CB-CD1 4.49Å; V835-F977 HydrophobicContact CG2-CD1 3.98Å; V835-F977 HydrophobicContact CG2-CE1 3.74Å; V835-F977 HydrophobicContact CG2-CZ 4.26Å; V835-F988 HydrophobicContact CG2-CD2 3.85Å; V835-F988 HydrophobicContact CG2-CE2 4.22Å; V835-F988 HydrophobicContact CG2-CG 4.32Å
836L90.2Very high93.1Very high23 Ų2335.6 Ų35.612%0.1219%0.188CC..EExtended strand (participates in β ladder)trans-86.3-51.9176.6-55.5175.9000110.1L834 A845 R847 F861 P862 A947L834-L836 PolarHBondContact O-N 3.42Å; L836-A845 HydrophobicContact CB-CB 4.45Å; L836-A845 WeakPolarHBondContact CB-O 3.3Å; L836-A845 PolarHBondContact N-O 3.04Å; L836-R847 HydrophobicContact CD1-CB 4.12Å; L836-R847 HydrophobicContact CD2-CB 4.16Å; L836-R847 HydrophobicContact CG-CB 4.26Å; L836-F861 HydrophobicContact CD2-CZ 4.15Å; L836-P862 HydrophobicContact CD2-CG 4.41Å; L836-A947 HydrophobicContact CD1-CB 3.84Å
837V90.6Very high93.2Very high40 Ų4034.8 Ų34.824%0.24218%0.182CC..EExtended strand (participates in β ladder)trans-138.8144-179.4-1650000110.1Y839 L844 A845 T921V837-Y839 HydrophobicContact CB-CD1 4.36Å; V837-Y839 HydrophobicContact CB-CE1 3.66Å; V837-Y839 HydrophobicContact CG1-CD1 3.77Å; V837-Y839 HydrophobicContact CG1-CE1 3.38Å; V837-Y839 HydrophobicContact CG2-CE1 4.43Å; V837-L844 CarbonylContact O-C 3.54Å; V837-L844 WeakPolarHBondContact O-CA 3.3Å; V837-A845 HydrophobicContact CB-CB 4.28Å; V837-A845 PolarHBondContact N-O 3.09Å; V837-A845 PolarHBondContact O-N 3.27Å; V837-T921 WeakPolarHBondContact CG2-O 3.24Å
838C92.4Very high93.5Very high11 Ų1130 Ų307%0.07416%0.161CC..EExtended strand (participates in β ladder)trans-112.2105.3172169.50000108.3S840 L844 R969 F977C838-S840 PolarHBondContact SG-O 3.41Å; C838-S840 VanDerWaalsContact SG-O 3.39Å; C838-L844 HydrophobicContact CB-CD2 3.72Å; C838-R969 VanDerWaalsContact O-CD 3.32Å; C838-R969 WeakPolarHBondContact O-CD 3.41Å; C838-R969 WeakPolarHBondContact O-CG 3.45Å; C838-F977 HydrophobicContact CB-CD2 4.16Å; C838-F977 HydrophobicContact CB-CE2 4.01Å
839Y91.6Very high93.6Very high44 Ų4424.8 Ų24.817%0.17313%0.134CC..EExtended strand (participates in β ladder)trans-80.5-36179.6-52.5-51.8000111.6V837 S843 A845 S922 T923 E924 R969V837-Y839 HydrophobicContact CB-CD1 4.36Å; V837-Y839 HydrophobicContact CB-CE1 3.66Å; V837-Y839 HydrophobicContact CG1-CD1 3.77Å; V837-Y839 HydrophobicContact CG1-CE1 3.38Å; V837-Y839 HydrophobicContact CG2-CE1 4.43Å; Y839-S843 PolarHBondContact N-O 2.92Å; Y839-S843 VanDerWaalsContact N-O 3.11Å; Y839-A845 HydrophobicContact CE2-CB 3.78Å; Y839-A845 WeakPolarHBondContact OH-CB 3.46Å; Y839-S922 PolarHBondContact OH-OG 2.88Å; Y839-T923 PolarHBondContact OH-N 3.33Å; Y839-T923 PolarHBondContact OH-OG1 2.84Å; Y839-E924 HydrophobicContact CD1-CG 4.1Å; Y839-E924 HydrophobicContact CE1-CG 3.45Å; Y839-E924 VanDerWaalsContact CE1-CG 3.45Å; Y839-E924 WeakPolarHBondContact CE1-OE1 3.41Å; Y839-E924 WeakPolarHBondContact CE1-OE2 3.27Å; Y839-R969 WeakPolarHBondContact O-CD 3.3Å
840S93Very high93.4Very high16 Ų1627.7 Ų27.711%0.11214%0.143CC..EExtended strand (participates in β ladder)trans-155.4172.5175.470.20000110.4C838 A842 S843C838-S840 PolarHBondContact SG-O 3.41Å; C838-S840 VanDerWaalsContact SG-O 3.39Å; S840-A842 PolarHBondContact O-N 3.17Å; S840-A842 PolarHBondContact OG-N 3.19Å; S840-S843 PolarHBondContact N-O 3.43Å; S840-S843 VanDerWaalsContact N-O 3.08Å; S840-S843 PolarHBondContact O-N 2.85Å; S840-S843 PolarHBondContact OG-N 2.94Å
841P93.8Very high93.2Very high1 Ų126.1 Ų26.11%0.00613%0.132CC..THydrogen-bonded Turntrans-54-15.7166.8-30.339.2000115.8W964 A968 V972 V1017P841-W964 HydrophobicContact CB-CD2 4.16Å; P841-W964 HydrophobicContact CB-CE3 4.01Å; P841-W964 HydrophobicContact CB-CH2 3.96Å; P841-W964 HydrophobicContact CB-CZ2 4.14Å; P841-W964 HydrophobicContact CB-CZ3 3.9Å; P841-W964 HydrophobicContact CG-CD2 3.85Å; P841-W964 HydrophobicContact CG-CE3 3.57Å; P841-W964 HydrophobicContact CG-CG 4.38Å; P841-W964 HydrophobicContact CG-CH2 4.43Å; P841-W964 HydrophobicContact CG-CZ3 3.89Å; P841-A968 HydrophobicContact CG-CB 3.95Å; P841-V972 HydrophobicContact CB-CG2 4.03Å; P841-V972 HydrophobicContact CG-CG2 3.95Å; P841-V1017 HydrophobicContact CB-CG1 3.97Å; P841-V1017 HydrophobicContact CB-CG2 3.79Å
842A94.3Very high93Very high9 Ų926.9 Ų26.97%0.07414%0.135CC..THydrogen-bonded Turntrans-123.2-0.9-175.100000115.3S840 R951 I952 L955 W964S840-A842 PolarHBondContact O-N 3.17Å; S840-A842 PolarHBondContact OG-N 3.19Å; A842-R951 CarbonylContact O-C 3.51Å; A842-R951 VanDerWaalsContact O-CA 3.24Å; A842-R951 WeakPolarHBondContact O-CA 3.5Å; A842-I952 PolarHBondContact O-N 2.83Å; A842-L955 HydrophobicContact CB-CB 4.08Å; A842-L955 HydrophobicContact CB-CD2 3.97Å; A842-L955 HydrophobicContact CB-CG 3.97Å; A842-L955 VanDerWaalsContact CB-O 3.26Å; A842-L955 WeakPolarHBondContact CB-O 3.28Å; A842-W964 HydrophobicContact CB-CZ2 4.08Å
843S94.5Very high92.8Very high16 Ų1624.3 Ų24.311%0.11213%0.134CC..EExtended strand (participates in β ladder)trans-148.7133.8178.51660000111.3Y839 S840 D949 L950Y839-S843 PolarHBondContact N-O 2.92Å; Y839-S843 VanDerWaalsContact N-O 3.11Å; S840-S843 PolarHBondContact N-O 3.43Å; S840-S843 VanDerWaalsContact N-O 3.08Å; S840-S843 PolarHBondContact O-N 2.85Å; S840-S843 PolarHBondContact OG-N 2.94Å; S843-D949 PolarHBondContact OG-OD1 3.21Å; S843-L950 WeakPolarHBondContact CA-O 3.24Å
844L95.3Very high92.6Very high2 Ų226.3 Ų26.31%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-137.4150.6-172.7-47.8174.4000109.7V835 V837 C838 V846 D949 L950 F977 I1005V835-L844 HydrophobicContact CG1-CD1 4.47Å; V835-L844 HydrophobicContact CG2-CD1 4.06Å; V837-L844 CarbonylContact O-C 3.54Å; V837-L844 WeakPolarHBondContact O-CA 3.3Å; C838-L844 HydrophobicContact CB-CD2 3.72Å; L844-V846 HydrophobicContact CB-CG1 3.9Å; L844-V846 HydrophobicContact CD1-CG1 4.34Å; L844-D949 WeakPolarHBondContact O-CA 2.95Å; L844-L950 HydrophobicContact CD1-CD2 4.35Å; L844-L950 PolarHBondContact N-O 3.22Å; L844-L950 PolarHBondContact O-N 3.08Å; L844-F977 HydrophobicContact CD1-CE1 4.27Å; L844-F977 HydrophobicContact CD1-CE2 4.35Å; L844-F977 HydrophobicContact CD1-CZ 3.6Å; L844-F977 HydrophobicContact CD2-CE2 3.63Å; L844-F977 HydrophobicContact CD2-CZ 3.73Å; L844-F977 HydrophobicContact CG-CZ 4.35Å; L844-I1005 HydrophobicContact CD1-CD1 3.47Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.47Å
845A95.1Very high92.4Very high0 Ų027.7 Ų27.70%016%0.161CC..EExtended strand (participates in β ladder)trans-90.9130.6154.500000109.7L836 V837 Y839 T923 M948L836-A845 HydrophobicContact CB-CB 4.45Å; L836-A845 WeakPolarHBondContact CB-O 3.3Å; L836-A845 PolarHBondContact N-O 3.04Å; V837-A845 HydrophobicContact CB-CB 4.28Å; V837-A845 PolarHBondContact N-O 3.09Å; V837-A845 PolarHBondContact O-N 3.27Å; Y839-A845 HydrophobicContact CE2-CB 3.78Å; Y839-A845 WeakPolarHBondContact OH-CB 3.46Å; A845-T923 HydrophobicContact CB-CG2 4.33Å; A845-M948 WeakPolarHBondContact CA-O 3.21Å
846V95.1Very high92.2Very high0 Ų029.6 Ų29.60%017%0.169CC..EExtended strand (participates in β ladder)trans-130.3155.9-177-55.10000110.9F833 L834 V835 L844 M948 L950F833-V846 HydrophobicContact CB-CB 4.16Å; F833-V846 HydrophobicContact CB-CG2 4.4Å; F833-V846 HydrophobicContact CD2-CB 3.67Å; F833-V846 HydrophobicContact CD2-CG1 3.5Å; F833-V846 VanDerWaalsContact CD2-CG1 3.5Å; F833-V846 HydrophobicContact CD2-CG2 4.32Å; F833-V846 HydrophobicContact CE2-CB 4.34Å; F833-V846 HydrophobicContact CE2-CG1 3.68Å; F833-V846 HydrophobicContact CG-CB 4.12Å; F833-V846 HydrophobicContact CG-CG1 4.35Å; F833-V846 HydrophobicContact CG-CG2 4.38Å; L834-V846 CarbonylContact O-C 3.54Å; L834-V846 WeakPolarHBondContact O-CA 3.34Å; V835-V846 HydrophobicContact CG2-CG1 4.35Å; L844-V846 HydrophobicContact CB-CG1 3.9Å; L844-V846 HydrophobicContact CD1-CG1 4.34Å; V846-M948 HydrophobicContact CG2-CB 4.33Å; V846-M948 PolarHBondContact N-O 3.06Å; V846-M948 PolarHBondContact O-N 3.41Å; V846-L950 HydrophobicContact CG1-CB 4.05Å; V846-L950 HydrophobicContact CG1-CD2 4.39Å; V846-L950 HydrophobicContact CG2-CB 3.7Å; V846-L950 HydrophobicContact CG2-CD1 4.16Å; V846-L950 HydrophobicContact CG2-CG 4.47Å
847R94.4Very high91.9Very high5 Ų532.2 Ų32.22%0.01918%0.177CC..EExtended strand (participates in β ladder)trans-118.5127.3167.1-178.216680.8-148.4-12.6110.4F833 L834 L836 S849 F852 T854 P862 E946F833-R847 CarbonylContact C-O 3.58Å; F833-R847 WeakPolarHBondContact CA-O 3.45Å; F833-R847 VanDerWaalsContact CB-O 3.31Å; F833-R847 WeakPolarHBondContact CB-O 3.12Å; L834-R847 PolarHBondContact N-O 3.29Å; L834-R847 PolarHBondContact O-N 3.14Å; L836-R847 HydrophobicContact CD1-CB 4.12Å; L836-R847 HydrophobicContact CD2-CB 4.16Å; L836-R847 HydrophobicContact CG-CB 4.26Å; R847-S849 PolarHBondContact O-N 2.68Å; R847-F852 VanDerWaalsContact CD-CB 3.49Å; R847-F852 HydrophobicContact CG-CB 3.59Å; R847-F852 HydrophobicContact CG-CD2 4.26Å; R847-F852 HydrophobicContact CG-CG 4.34Å; R847-F852 PolarHBondContact NE-O 2.88Å; R847-T854 PolarHBondContact NH2-OG1 3.33Å; R847-P862 PolarHBondContact NH1-O 2.92Å; R847-P862 PolarHBondContact NH2-O 3.44Å; R847-E946 WeakPolarHBondContact CD-OE2 3.17Å; R847-E946 HydrophobicContact CG-CB 4.22Å; R847-E946 IonicContact CZ-OE2 2.66Å; R847-E946 IonicContact NE-OE2 2.64Å; R847-E946 IonicContact NH1-OE2 3.09Å; R847-E946 PolarHBondContact NH1-OE2 3.01Å
848L94.8Very high91.6Very high7 Ų733.2 Ų33.24%0.03718%0.179CC..EExtended strand (participates in β ladder)trans-66.9116.9177.3-57.8-177000109.9P826 I831 F833 D850 Q851 F852 M948P826-L848 HydrophobicContact CG-CD1 3.81Å; I831-L848 HydrophobicContact CB-CD2 4.22Å; I831-L848 HydrophobicContact CD1-CD2 4.09Å; F833-L848 HydrophobicContact CB-CD2 4.19Å; L848-D850 VanDerWaalsContact C-N 3.29Å; L848-D850 PolarHBondContact O-N 2.78Å; L848-Q851 HydrophobicContact CB-CB 4.29Å; L848-Q851 HydrophobicContact CB-CG 4.44Å; L848-Q851 HydrophobicContact CD1-CG 4.47Å; L848-Q851 PolarHBondContact O-N 2.75Å; L848-F852 PolarHBondContact O-N 3.41Å; L848-M948 HydrophobicContact CD1-CE 3.78Å; L848-M948 HydrophobicContact CD1-SD 3.58Å; L848-M948 VanDerWaalsContact CD1-SD 3.58Å; L848-M948 HydrophobicContact CD2-SD 4.38Å; L848-M948 HydrophobicContact CG-CE 4.23Å; L848-M948 HydrophobicContact CG-SD 3.71Å
849S91.4Very high91Very high16 Ų1637.7 Ų37.711%0.11220%0.201CC..THydrogen-bonded Turntrans-72.8-23.3-173.5-67.30000113.3R832 R847 Q987R832-S849 PolarHBondContact O-N 2.87Å; R847-S849 PolarHBondContact O-N 2.68Å; S849-Q987 VanDerWaalsContact CB-NE2 3.29Å; S849-Q987 PolarHBondContact OG-NE2 2.8Å
850D90.2Very high90.4Very high94 Ų9441.5 Ų41.550%0.50323%0.225SC..THydrogen-bonded Turntrans-82.5-21.1179.1-63.4-49.3000113.2R832 L848R832-D850 WeakPolarHBondContact CB-OD2 3.12Å; R832-D850 IonicContact CZ-OD1 3.23Å; R832-D850 VanDerWaalsContact CZ-OD1 3.3Å; R832-D850 IonicContact CZ-OD2 2.73Å; R832-D850 IonicContact NE-OD1 2.92Å; R832-D850 PolarHBondContact NE-OD1 3.15Å; R832-D850 VanDerWaalsContact NE-OD1 3.14Å; R832-D850 IonicContact NE-OD2 3.24Å; R832-D850 PolarHBondContact NE-OD2 3.45Å; R832-D850 IonicContact NH2-OD1 2.63Å; R832-D850 PolarHBondContact NH2-OD1 3.46Å; R832-D850 IonicContact NH2-OD2 2.67Å; R832-D850 PolarHBondContact NH2-OD2 3.25Å; L848-D850 VanDerWaalsContact C-N 3.29Å; L848-D850 PolarHBondContact O-N 2.78Å
851Q90.5Very high89.9Confident84 Ų8442.3 Ų42.339%0.39323%0.226SC..THydrogen-bonded Turntrans-100.2-41175-66.2-177.8-200112H824 L848 P853H824-Q851 PolarHBondContact O-NE2 2.98Å; H824-Q851 PolarHBondContact O-OE1 2.81Å; L848-Q851 HydrophobicContact CB-CB 4.29Å; L848-Q851 HydrophobicContact CB-CG 4.44Å; L848-Q851 HydrophobicContact CD1-CG 4.47Å; L848-Q851 PolarHBondContact O-N 2.75Å; Q851-P853 WeakPolarHBondContact O-CD 3.41Å
852F92.3Very high89.5Confident28 Ų2842.8 Ų42.812%0.12323%0.23CC..SBendtrans-128.476.7-172.3-49.9-70.4000109.8R847 L848 P944 E946 M948R847-F852 VanDerWaalsContact CD-CB 3.49Å; R847-F852 HydrophobicContact CG-CB 3.59Å; R847-F852 HydrophobicContact CG-CD2 4.26Å; R847-F852 HydrophobicContact CG-CG 4.34Å; R847-F852 PolarHBondContact NE-O 2.88Å; L848-F852 PolarHBondContact O-N 3.41Å; F852-P944 HydrophobicContact CE1-CG 3.97Å; F852-P944 HydrophobicContact CZ-CG 3.99Å; F852-E946 HydrophobicContact CB-CG 4.27Å; F852-E946 HydrophobicContact CD1-CG 3.9Å; F852-E946 HydrophobicContact CD2-CG 4.47Å; F852-E946 HydrophobicContact CE1-CG 4.37Å; F852-E946 HydrophobicContact CG-CB 4.43Å; F852-E946 HydrophobicContact CG-CG 3.96Å; F852-M948 HydrophobicContact CE2-CE 4.07Å
853P91.1Very high89.3Confident69 Ų6943.1 Ų43.145%0.44823%0.23SC..  trans-61.6161.7-179.726.6-35.1000111.9Q851 S864Q851-P853 WeakPolarHBondContact O-CD 3.41Å; P853-S864 WeakPolarHBondContact O-CA 3.4Å
854T89.6Confident89.2Confident42 Ų4242.5 Ų42.526%0.25823%0.225SC..  trans-92.5105.9177.1-58.30000109.6R847 P862 M863R847-T854 PolarHBondContact NH2-OG1 3.33Å; T854-P862 HydrophobicContact CG2-CB 3.55Å; T854-M863 CarbonylContact C-O 3.6Å; T854-M863 WeakPolarHBondContact CA-O 3.14Å; T854-M863 WeakPolarHBondContact CG2-O 3.28Å
855A88.7Confident89Confident48 Ų4846.9 Ų46.940%0.39725%0.249SC..  trans-73.4-47.9177.800000111.9M863 D865A855-M863 PolarHBondContact N-O 3.41Å; A855-D865 WeakPolarHBondContact CB-OD1 3.42Å
856I88Confident89Confident67 Ų6747.4 Ų47.434%0.34425%0.252SS..EExtended strand (participates in β ladder)trans-141.9163.7-173.2-162.6164.2000112.4M863 E868I856-M863 HydrophobicContact CG2-CB 3.94Å; I856-M863 HydrophobicContact CG2-CE 3.65Å; I856-M863 PolarHBondContact N-O 3.03Å; I856-M863 PolarHBondContact O-N 3.3Å; I856-E868 VanDerWaalsContact CB-OE2 3.23Å; I856-E868 WeakPolarHBondContact CB-OE2 3.41Å; I856-E868 HydrophobicContact CG2-CB 4.1Å; I856-E868 HydrophobicContact CG2-CG 4.09Å; I856-E868 WeakPolarHBondContact CG2-OE2 3.46Å
857R84.2Confident88.8Confident77 Ų7748.1 Ų48.129%0.29126%0.259SS..EExtended strand (participates in β ladder)trans-117.5107.8168.9-73.1-176.5172.7-79.7-9.8111.4N860 F861 R984 N985R857-N860 PolarHBondContact NH1-O 3.19Å; R857-F861 CarbonylContact C-O 3.59Å; R857-F861 VanDerWaalsContact CA-O 3.26Å; R857-F861 WeakPolarHBondContact CA-O 3.24Å; R857-R984 VanDerWaalsContact CZ-O 3.26Å; R857-R984 PolarHBondContact NH2-O 2.86Å; R857-N985 PolarHBondContact NE-OD1 2.89Å; R857-N985 PolarHBondContact NH2-OD1 2.88Å
858F83Confident88.8Confident61 Ų6149.4 Ų49.427%0.26827%0.265SS..EExtended strand (participates in β ladder)trans-102.9125.4177.5-179.7-99.8000109.7N860 F861 M863 Q871 R899F858-N860 PolarHBondContact O-N 2.99Å; F858-N860 VanDerWaalsContact O-N 3.17Å; F858-F861 PolarHBondContact N-O 3.49Å; F858-F861 WeakPolarHBondContact O-CA 3.41Å; F858-F861 WeakPolarHBondContact O-CB 3.25Å; F858-F861 PolarHBondContact O-N 2.94Å; F858-M863 HydrophobicContact CB-CE 3.59Å; F858-M863 HydrophobicContact CB-CG 4.36Å; F858-M863 HydrophobicContact CB-SD 3.79Å; F858-M863 HydrophobicContact CD1-SD 4.43Å; F858-M863 HydrophobicContact CG-CE 4.23Å; F858-M863 HydrophobicContact CG-SD 4.38Å; F858-Q871 HydrophobicContact CE1-CG 4.49Å; F858-Q871 HydrophobicContact CZ-CG 4.39Å; F858-R899 HydrophobicContact CD1-CG 3.96Å; F858-R899 HydrophobicContact CE1-CG 4.06Å
859L81.3Confident88.8Confident105 Ų10554.7 Ų54.755%0.5528%0.284SS..THydrogen-bonded Turntrans49.739-172.3-55.6177.4000112.8F861 N898L859-F861 PolarHBondContact O-N 3.36Å; L859-N898 HydrophobicContact CD1-CB 3.95Å
860N79Confident88.9Confident125 Ų12554 Ų5467%0.66828%0.279SS*.THydrogen-bonded Turntrans67.1-10.8-170.3-57.6-73.3000116.8R857 F858R857-N860 PolarHBondContact NH1-O 3.19Å; F858-N860 PolarHBondContact O-N 2.99Å; F858-N860 VanDerWaalsContact O-N 3.17Å
861F82Confident89.2Confident32 Ų3250 Ų5014%0.1426%0.258CS..EExtended strand (participates in β ladder)trans-74.9135.6178.4-168.7-88.1000111.9L836 R857 F858 L859 M863 T921L836-F861 HydrophobicContact CD2-CZ 4.15Å; R857-F861 CarbonylContact C-O 3.59Å; R857-F861 VanDerWaalsContact CA-O 3.26Å; R857-F861 WeakPolarHBondContact CA-O 3.24Å; F858-F861 PolarHBondContact N-O 3.49Å; F858-F861 WeakPolarHBondContact O-CA 3.41Å; F858-F861 WeakPolarHBondContact O-CB 3.25Å; F858-F861 PolarHBondContact O-N 2.94Å; L859-F861 PolarHBondContact O-N 3.36Å; F861-M863 HydrophobicContact CD1-CG 4.27Å; F861-M863 PolarHBondContact O-N 2.9Å; F861-T921 HydrophobicContact CD1-CG2 4.45Å; F861-T921 HydrophobicContact CE1-CG2 3.51Å; F861-T921 HydrophobicContact CZ-CG2 3.73Å
862P85.7Confident89.3Confident12 Ų1253.3 Ų53.38%0.07827%0.267CS..EExtended strand (participates in β ladder)trans-79.1112-178.431.2-33.4000112.9L834 L836 R847 T854L834-P862 HydrophobicContact CD2-CB 3.58Å; L834-P862 HydrophobicContact CD2-CG 3.57Å; L834-P862 HydrophobicContact CG-CG 4.46Å; L836-P862 HydrophobicContact CD2-CG 4.41Å; R847-P862 PolarHBondContact NH1-O 2.92Å; R847-P862 PolarHBondContact NH2-O 3.44Å; T854-P862 HydrophobicContact CG2-CB 3.55Å
863M88.4Confident89.5Confident15 Ų1554 Ų547%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-103.5152.7175.3-52.7-164.7-46.100111.4T854 A855 I856 F858 F861 E868 Q871T854-M863 CarbonylContact C-O 3.6Å; T854-M863 WeakPolarHBondContact CA-O 3.14Å; T854-M863 WeakPolarHBondContact CG2-O 3.28Å; A855-M863 PolarHBondContact N-O 3.41Å; I856-M863 HydrophobicContact CG2-CB 3.94Å; I856-M863 HydrophobicContact CG2-CE 3.65Å; I856-M863 PolarHBondContact N-O 3.03Å; I856-M863 PolarHBondContact O-N 3.3Å; F858-M863 HydrophobicContact CB-CE 3.59Å; F858-M863 HydrophobicContact CB-CG 4.36Å; F858-M863 HydrophobicContact CB-SD 3.79Å; F858-M863 HydrophobicContact CD1-SD 4.43Å; F858-M863 HydrophobicContact CG-CE 4.23Å; F858-M863 HydrophobicContact CG-SD 4.38Å; F861-M863 HydrophobicContact CD1-CG 4.27Å; F861-M863 PolarHBondContact O-N 2.9Å; M863-E868 HydrophobicContact CE-CB 4.34Å; M863-Q871 HydrophobicContact CE-CB 4.15Å
864S92.5Very high89.7Confident3 Ų350.8 Ų50.82%0.02125%0.249CC..  trans-88.7179.4168.861.80000111.1P853 L866 G867 E868 E946P853-S864 WeakPolarHBondContact O-CA 3.4Å; S864-L866 PolarHBondContact O-N 3.39Å; S864-L866 PolarHBondContact OG-N 2.77Å; S864-G867 PolarHBondContact O-N 2.77Å; S864-G867 PolarHBondContact OG-N 2.92Å; S864-E868 VanDerWaalsContact O-CB 3.28Å; S864-E868 WeakPolarHBondContact O-CB 3.4Å; S864-E868 PolarHBondContact O-N 2.98Å; S864-E946 WeakPolarHBondContact CB-OE1 3.26Å; S864-E946 VanDerWaalsContact CB-OE2 3.3Å; S864-E946 WeakPolarHBondContact CB-OE2 3.36Å; S864-E946 PolarHBondContact OG-OE1 3.47Å; S864-E946 PolarHBondContact OG-OE2 3.38Å
865D92.9Very high89.9Confident95 Ų9552.3 Ų52.351%0.50825%0.253SS..Hα-helixtrans-60.2-27.1168.8-53.3-78000113A855 R869A855-D865 WeakPolarHBondContact CB-OD1 3.42Å; D865-R869 WeakPolarHBondContact O-CB 3.35Å; D865-R869 WeakPolarHBondContact O-CG 3.49Å; D865-R869 PolarHBondContact O-N 2.75Å; D865-R869 PolarHBondContact O-NE 3.22Å
866L93.3Very high90.2Very high11 Ų1155.2 Ų55.26%0.05826%0.262CS..Hα-helixtrans-75.3-50.5173.9178.561.5000110.9S864 E868 R869 V870 F940 E946S864-L866 PolarHBondContact O-N 3.39Å; S864-L866 PolarHBondContact OG-N 2.77Å; L866-E868 VanDerWaalsContact C-N 3.26Å; L866-E868 PolarHBondContact O-N 3.28Å; L866-R869 PolarHBondContact O-N 3.1Å; L866-R869 VanDerWaalsContact O-N 3.14Å; L866-V870 HydrophobicContact CD1-CG2 4.2Å; L866-V870 WeakPolarHBondContact O-CG2 3.45Å; L866-V870 PolarHBondContact O-N 2.76Å; L866-F940 HydrophobicContact CD1-CD1 3.9Å; L866-E946 WeakPolarHBondContact CB-OE1 3.4Å
867G92.4Very high90.4Very high14 Ų1458.9 Ų58.914%0.14428%0.277CS..Hα-helixtrans-59.8-36.5176.500000112.8S864 Q871S864-G867 PolarHBondContact O-N 2.77Å; S864-G867 PolarHBondContact OG-N 2.92Å; G867-Q871 WeakPolarHBondContact O-CB 3.23Å; G867-Q871 PolarHBondContact O-N 2.88Å
868E93.5Very high90.8Very high32 Ų3259.1 Ų59.115%0.1530%0.296CS..Hα-helixtrans-66.1-42.2173.8-173.6173.2145.600112.6I856 M863 S864 L866 R872I856-E868 VanDerWaalsContact CB-OE2 3.23Å; I856-E868 WeakPolarHBondContact CB-OE2 3.41Å; I856-E868 HydrophobicContact CG2-CB 4.1Å; I856-E868 HydrophobicContact CG2-CG 4.09Å; I856-E868 WeakPolarHBondContact CG2-OE2 3.46Å; M863-E868 HydrophobicContact CE-CB 4.34Å; S864-E868 VanDerWaalsContact O-CB 3.28Å; S864-E868 WeakPolarHBondContact O-CB 3.4Å; S864-E868 PolarHBondContact O-N 2.98Å; L866-E868 VanDerWaalsContact C-N 3.26Å; L866-E868 PolarHBondContact O-N 3.28Å; E868-R872 WeakPolarHBondContact O-CB 3.27Å; E868-R872 WeakPolarHBondContact O-CG 3.5Å; E868-R872 PolarHBondContact O-N 3.17Å; E868-R872 IonicContact OE1-CZ 3.29Å; E868-R872 IonicContact OE1-NH1 2.66Å; E868-R872 PolarHBondContact OE1-NH1 2.82Å; E868-R872 IonicContact OE1-NH2 2.73Å; E868-R872 PolarHBondContact OE1-NH2 3.04Å
869R94.6Very high91.3Very high118 Ų11858.1 Ų58.145%0.44529%0.293SS..Hα-helixtrans-66.7-43.1174.5-74.9-178.6-59.7144.52.6112.3D865 L866 R872 H873 F940D865-R869 WeakPolarHBondContact O-CB 3.35Å; D865-R869 WeakPolarHBondContact O-CG 3.49Å; D865-R869 PolarHBondContact O-N 2.75Å; D865-R869 PolarHBondContact O-NE 3.22Å; L866-R869 PolarHBondContact O-N 3.1Å; L866-R869 VanDerWaalsContact O-N 3.14Å; R869-R872 PolarHBondContact O-N 3.17Å; R869-H873 VanDerWaalsContact O-CB 3.3Å; R869-H873 WeakPolarHBondContact O-CB 3.3Å; R869-H873 PolarHBondContact O-N 2.99Å; R869-F940 HydrophobicContact CB-CE1 3.86Å; R869-F940 HydrophobicContact CB-CZ 4.24Å
870V94.7Very high91.9Very high1 Ų155.9 Ų55.91%0.00628%0.277CS..Hα-helixtrans-61.9-49.2176.6172.70000110.4L866 R872 H873 Y874 R902 F940L866-V870 HydrophobicContact CD1-CG2 4.2Å; L866-V870 WeakPolarHBondContact O-CG2 3.45Å; L866-V870 PolarHBondContact O-N 2.76Å; V870-R872 PolarHBondContact O-N 3.06Å; V870-H873 PolarHBondContact O-N 2.51Å; V870-Y874 HydrophobicContact CG1-CD2 4.05Å; V870-Y874 HydrophobicContact CG1-CE2 4.38Å; V870-Y874 WeakPolarHBondContact O-CD2 3.07Å; V870-Y874 PolarHBondContact O-N 3.22Å; V870-Y874 VanDerWaalsContact O-N 3.08Å; V870-R902 HydrophobicContact CG1-CG 4.42Å; V870-R902 HydrophobicContact CG2-CG 4.11Å; V870-F940 HydrophobicContact CG2-CB 4.38Å; V870-F940 HydrophobicContact CG2-CD1 3.84Å; V870-F940 HydrophobicContact CG2-CD2 3.91Å; V870-F940 HydrophobicContact CG2-CE1 4.04Å; V870-F940 HydrophobicContact CG2-CE2 4.1Å; V870-F940 HydrophobicContact CG2-CG 3.78Å; V870-F940 HydrophobicContact CG2-CZ 4.16Å
871Q94.7Very high92.5Very high10 Ų1055.6 Ų55.65%0.04727%0.272CS..Hα-helixtrans-57.2-51.1176.5-173.173.733.900111.4F858 M863 G867 H873 E875 N898F858-Q871 HydrophobicContact CE1-CG 4.49Å; F858-Q871 HydrophobicContact CZ-CG 4.39Å; M863-Q871 HydrophobicContact CE-CB 4.15Å; G867-Q871 WeakPolarHBondContact O-CB 3.23Å; G867-Q871 PolarHBondContact O-N 2.88Å; Q871-H873 VanDerWaalsContact C-N 3.3Å; Q871-H873 PolarHBondContact O-N 2.91Å; Q871-E875 PolarHBondContact NE2-OE2 2.93Å; Q871-E875 WeakPolarHBondContact O-CB 3.26Å; Q871-E875 PolarHBondContact O-N 2.72Å; Q871-N898 PolarHBondContact NE2-O 2.92Å
872R93.8Very high93Very high154 Ų15459.4 Ų59.458%0.58129%0.291SS*.Hα-helixtrans-60.7-37.9179.6-78.5-169.7-178.1118.212.9112.9E868 R869 V870E868-R872 WeakPolarHBondContact O-CB 3.27Å; E868-R872 WeakPolarHBondContact O-CG 3.5Å; E868-R872 PolarHBondContact O-N 3.17Å; E868-R872 IonicContact OE1-CZ 3.29Å; E868-R872 IonicContact OE1-NH1 2.66Å; E868-R872 PolarHBondContact OE1-NH1 2.82Å; E868-R872 IonicContact OE1-NH2 2.73Å; E868-R872 PolarHBondContact OE1-NH2 3.04Å; R869-R872 PolarHBondContact O-N 3.17Å; V870-R872 PolarHBondContact O-N 3.06Å
873H95.4Very high93.3Very high44 Ų4459.1 Ų59.120%0.20429%0.289CS..Hα-helixtrans-67.8-51.4-178.8-174.287.8000111.5R869 V870 Q871 L876 N879 F940R869-H873 VanDerWaalsContact O-CB 3.3Å; R869-H873 WeakPolarHBondContact O-CB 3.3Å; R869-H873 PolarHBondContact O-N 2.99Å; V870-H873 PolarHBondContact O-N 2.51Å; Q871-H873 VanDerWaalsContact C-N 3.3Å; Q871-H873 PolarHBondContact O-N 2.91Å; H873-L876 PolarHBondContact O-N 2.79Å; H873-N879 WeakPolarHBondContact O-CB 3.37Å; H873-N879 PolarHBondContact O-ND2 2.92Å; H873-F940 HydrophobicContact CB-CE2 3.75Å; H873-F940 HydrophobicContact CB-CZ 3.82Å; H873-F940 AromaticContact CD2-CE2 3.94Å; H873-F940 AromaticContact CG-CE2 3.76Å
874Y95.5Very high93.1Very high0 Ų064 Ų640%032%0.322CS..Hα-helixtrans-84.4-10.7-175-69.7-83.9000114.7V870 L876 R880 V893 Y900 S935 C936 V937 F940V870-Y874 HydrophobicContact CG1-CD2 4.05Å; V870-Y874 HydrophobicContact CG1-CE2 4.38Å; V870-Y874 WeakPolarHBondContact O-CD2 3.07Å; V870-Y874 PolarHBondContact O-N 3.22Å; V870-Y874 VanDerWaalsContact O-N 3.08Å; Y874-L876 PolarHBondContact O-N 3.21Å; Y874-R880 WeakPolarHBondContact O-CG 3.34Å; Y874-R880 PolarHBondContact O-NE 2.89Å; Y874-V893 HydrophobicContact CD1-CG1 4.4Å; Y874-V893 HydrophobicContact CD2-CG1 3.98Å; Y874-V893 HydrophobicContact CD2-CG2 4.42Å; Y874-V893 HydrophobicContact CE1-CB 4.41Å; Y874-V893 HydrophobicContact CE2-CB 4.26Å; Y874-V893 HydrophobicContact CE2-CG1 4.12Å; Y874-V893 HydrophobicContact CE2-CG2 3.75Å; Y874-V893 HydrophobicContact CG-CG1 4.14Å; Y874-Y900 VanDerWaalsContact CB-CD1 3.45Å; Y874-Y900 VanDerWaalsContact CB-CG 3.44Å; Y874-Y900 HydrophobicContact CG-CD1 4.29Å; Y874-Y900 HydrophobicContact CG-CG 4.46Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.3Å; Y874-Y900 VanDerWaalsContact O-CZ 3.23Å; Y874-Y900 PolarHBondContact O-OH 3.08Å; Y874-S935 PolarHBondContact OH-O 3.2Å; Y874-C936 WeakPolarHBondContact OH-CA 3.38Å; Y874-V937 PolarHBondContact OH-N 2.86Å; Y874-V937 VanDerWaalsContact OH-N 3.16Å; Y874-F940 HydrophobicContact CD2-CE2 4.5Å; Y874-F940 AromaticContact CE2-CD2 3.93Å; Y874-F940 HydrophobicContact CE2-CD2 3.93Å; Y874-F940 AromaticContact CE2-CE2 3.89Å; Y874-F940 HydrophobicContact CE2-CE2 3.89Å
875E94.1Very high92.9Very high74 Ų7469.3 Ų69.335%0.34635%0.35SS..Hα-helixtrans-65.6-26.7167.7-152.272.2-107.300111.7Q871 E877 R880 K895 Y900Q871-E875 PolarHBondContact NE2-OE2 2.93Å; Q871-E875 WeakPolarHBondContact O-CB 3.26Å; Q871-E875 PolarHBondContact O-N 2.72Å; E875-E877 PolarHBondContact O-N 3.22Å; E875-R880 PolarHBondContact O-NH2 2.81Å; E875-R880 IonicContact OE1-NH2 3.58Å; E875-K895 IonicContact OE1-NZ 2.72Å; E875-K895 PolarHBondContact OE1-NZ 2.96Å; E875-Y900 HydrophobicContact CB-CE2 4.45Å
876L95.1Very high92.7Very high109 Ų10965.5 Ų65.557%0.57133%0.33SS*.SBendtrans-74120.7170.8-61175.4000110.5H873 Y874 A878 N879H873-L876 PolarHBondContact O-N 2.79Å; Y874-L876 PolarHBondContact O-N 3.21Å; L876-A878 VanDerWaalsContact C-N 3.27Å; L876-A878 PolarHBondContact O-N 2.87Å; L876-N879 PolarHBondContact O-N 2.67Å
877E91.9Very high92.5Very high145 Ų14568.3 Ų68.368%0.67835%0.348SS*.G310 helixtrans-63.2-34.5-172.1-42.7-140.9119.100112.6E875 N879 R880E875-E877 PolarHBondContact O-N 3.22Å; E877-N879 PolarHBondContact O-N 2.91Å; E877-N879 VanDerWaalsContact O-N 3.11Å; E877-R880 WeakPolarHBondContact O-CB 3.46Å; E877-R880 PolarHBondContact O-N 3.35Å; E877-R880 IonicContact OE1-CZ 3.37Å; E877-R880 VanDerWaalsContact OE1-CZ 3.29Å; E877-R880 IonicContact OE1-NH1 3.56Å; E877-R880 PolarHBondContact OE1-NH1 3.47Å; E877-R880 IonicContact OE1-NH2 2.72Å; E877-R880 PolarHBondContact OE1-NH2 2.71Å
878A93.6Very high92.3Very high82 Ų8271.2 Ų71.268%0.67836%0.364SS*.G310 helixtrans-62-14.8176.500000114.6L876 H881L876-A878 VanDerWaalsContact C-N 3.27Å; L876-A878 PolarHBondContact O-N 2.87Å; A878-H881 PolarHBondContact O-CE1 2.73Å
879N92.8Very high91.9Very high39 Ų3972 Ų7221%0.20938%0.381CS..G310 helixtrans-95.8-10.5176.3-66-24.3000112.9H873 L876 E877 H881H873-N879 WeakPolarHBondContact O-CB 3.37Å; H873-N879 PolarHBondContact O-ND2 2.92Å; L876-N879 PolarHBondContact O-N 2.67Å; E877-N879 PolarHBondContact O-N 2.91Å; E877-N879 VanDerWaalsContact O-N 3.11Å; N879-H881 PolarHBondContact O-N 3.17Å; N879-H881 PolarHBondContact O-ND1 3.13Å; N879-H881 VanDerWaalsContact O-ND1 3.11Å
880R93.3Very high91.8Very high58 Ų5869.4 Ų69.422%0.21937%0.374CS..  trans-81.852.8-172.5-58.2-178.2-164.1154.96.4113Y874 E875 E877 M882 Y900 Y934Y874-R880 WeakPolarHBondContact O-CG 3.34Å; Y874-R880 PolarHBondContact O-NE 2.89Å; E875-R880 PolarHBondContact O-NH2 2.81Å; E875-R880 IonicContact OE1-NH2 3.58Å; E877-R880 WeakPolarHBondContact O-CB 3.46Å; E877-R880 PolarHBondContact O-N 3.35Å; E877-R880 IonicContact OE1-CZ 3.37Å; E877-R880 VanDerWaalsContact OE1-CZ 3.29Å; E877-R880 IonicContact OE1-NH1 3.56Å; E877-R880 PolarHBondContact OE1-NH1 3.47Å; E877-R880 IonicContact OE1-NH2 2.72Å; E877-R880 PolarHBondContact OE1-NH2 2.71Å; R880-M882 PolarHBondContact O-N 3.12Å; R880-Y900 VanDerWaalsContact CZ-OH 3.25Å; R880-Y900 PolarHBondContact NE-OH 2.91Å; R880-Y934 HydrophobicContact CB-CD1 3.97Å; R880-Y934 HydrophobicContact CB-CE1 3.77Å; R880-Y934 WeakPolarHBondContact O-CD1 3.28Å
881H93.3Very high91.8Very high119 Ų11971.1 Ų71.155%0.55138%0.382SS*.PPolyproline II helixtrans-64.4118.2175.4-58.890.4000109.8A878 N879 Y934 S935A878-H881 PolarHBondContact O-CE1 2.73Å; N879-H881 PolarHBondContact O-N 3.17Å; N879-H881 PolarHBondContact O-ND1 3.13Å; N879-H881 VanDerWaalsContact O-ND1 3.11Å; H881-Y934 CarbonylContact O-C 3.53Å; H881-Y934 WeakPolarHBondContact O-CA 3.37Å; H881-Y934 WeakPolarHBondContact O-CB 3.4Å; H881-S935 PolarHBondContact O-N 2.74Å
882M92.4Very high91.8Very high112 Ų11270.7 Ų70.755%0.55238%0.38SS*.BIsolated β-bridgetrans-60143.3174-84.8176.545.900110.9R880 L933R880-M882 PolarHBondContact O-N 3.12Å; M882-L933 WeakPolarHBondContact CA-O 3.27Å
883H90.8Very high91.9Very high7 Ų763.3 Ų63.33%0.03235%0.352CS..PPolyproline II helixtrans-67.5121.5177.6-157.4-68.6000110.4N885 E890 L933H883-N885 PolarHBondContact CE1-O 3.43Å; H883-N885 VanDerWaalsContact CE1-O 3.32Å; H883-N885 PolarHBondContact ND1-O 2.89Å; H883-E890 IonicContact CE1-OE2 3.14Å; H883-E890 PolarHBondContact CE1-OE2 2.66Å; H883-E890 VanDerWaalsContact NE2-CD 3.33Å; H883-E890 IonicContact NE2-OE1 3.59Å; H883-E890 IonicContact NE2-OE2 3.32Å; H883-E890 PolarHBondContact NE2-OE2 3.01Å; H883-L933 HydrophobicContact CB-CB 4.14Å; H883-L933 HydrophobicContact CB-CD2 3.82Å; H883-L933 HydrophobicContact CB-CG 3.94Å; H883-L933 PolarHBondContact N-O 2.8Å
884P85.3Confident91.9Very high118 Ų11861.2 Ų61.277%0.76634%0.343SS*.SBendtrans-75.4-36.3-168.327.6-34.6000113.4
885N88.1Confident91.8Very high113 Ų11364.8 Ų64.860%0.60436%0.358SS*.SBendtrans-151.697.5176.2-178.233.9000109.1H883 V887H883-N885 PolarHBondContact CE1-O 3.43Å; H883-N885 VanDerWaalsContact CE1-O 3.32Å; H883-N885 PolarHBondContact ND1-O 2.89Å; N885-V887 PolarHBondContact O-N 3.15Å
886P88.8Confident91.5Very high15 Ų1562.3 Ų62.310%0.09735%0.347CS..  trans-68.6125.9-177.8-1629.4000111.8I905 V908 V914 T930 L933P886-I905 HydrophobicContact CB-CD1 3.78Å; P886-V908 WeakPolarHBondContact O-CG2 3.47Å; P886-V914 HydrophobicContact CB-CG1 3.93Å; P886-V914 HydrophobicContact CG-CG1 4.05Å; P886-T930 HydrophobicContact CG-CG2 3.78Å; P886-L933 HydrophobicContact CB-CD2 3.84Å; P886-L933 HydrophobicContact CG-CD2 3.9Å
887V89.4Confident91Very high70 Ų7063.3 Ų63.342%0.42435%0.352SS..  trans-117.8136.5178.3-175.30000110.3N885 G889 E890 I905N885-V887 PolarHBondContact O-N 3.15Å; V887-G889 PolarHBondContact O-N 2.88Å; V887-E890 PolarHBondContact O-N 3.17Å; V887-E890 VanDerWaalsContact O-N 3.12Å; V887-I905 WeakPolarHBondContact O-CB 3.35Å; V887-I905 WeakPolarHBondContact O-CD1 3.4Å
888P87.6Confident90.7Very high75 Ų7561.5 Ų61.549%0.48735%0.347SS..THydrogen-bonded Turntrans-53.1133.7172.6-26.336.1000112.1
889G85.8Confident90.6Very high48 Ų4859.2 Ų59.250%0.49532%0.321SS..THydrogen-bonded Turntrans96.7-25-173.900000114.9V887 I905V887-G889 PolarHBondContact O-N 2.88Å; G889-I905 PolarHBondContact N-O 2.77Å
890E91.1Very high90.7Very high64 Ų6457.7 Ų57.730%0.29931%0.312SS..  trans-75.4148.2179.7179.7168.7-158.600112.6H883 V887 I905 K941H883-E890 IonicContact CE1-OE2 3.14Å; H883-E890 PolarHBondContact CE1-OE2 2.66Å; H883-E890 VanDerWaalsContact NE2-CD 3.33Å; H883-E890 IonicContact NE2-OE1 3.59Å; H883-E890 IonicContact NE2-OE2 3.32Å; H883-E890 PolarHBondContact NE2-OE2 3.01Å; V887-E890 PolarHBondContact O-N 3.17Å; V887-E890 VanDerWaalsContact O-N 3.12Å; E890-I905 HydrophobicContact CB-CD1 4.16Å; E890-I905 PolarHBondContact O-N 2.86Å; E890-K941 IonicContact OE1-NZ 3.57Å
891M94.3Very high90.7Very high38 Ų3855.2 Ų55.219%0.18730%0.303CS..EExtended strand (participates in β ladder)trans-92.6129.6174.4-166.3-169.8-56.400111.3R902 V903 L919 C936 K941M891-R902 HydrophobicContact SD-CB 4.35Å; M891-V903 CarbonylContact C-O 3.55Å; M891-V903 VanDerWaalsContact CA-O 3.29Å; M891-V903 WeakPolarHBondContact CA-O 3.49Å; M891-V903 VanDerWaalsContact CG-O 3.29Å; M891-V903 WeakPolarHBondContact CG-O 3.25Å; M891-L919 HydrophobicContact CE-CD1 4Å; M891-L919 HydrophobicContact CG-CD1 3.84Å; M891-L919 HydrophobicContact SD-CD1 3.99Å; M891-C936 HydrophobicContact CG-CB 4.39Å; M891-C936 WeakPolarHBondContact O-CB 3.2Å; M891-K941 HydrophobicContact CB-CG 4.46Å; M891-K941 HydrophobicContact SD-CG 4.45Å
892A95.3Very high90.8Very high0 Ų049.6 Ų49.60%028%0.277CS..EExtended strand (participates in β ladder)trans-133.6-175.7-178.700000110.9R902 V903 I905 L933 Y934A892-R902 WeakPolarHBondContact O-CA 3.5Å; A892-V903 HydrophobicContact CB-CG2 3.98Å; A892-V903 PolarHBondContact N-O 3.17Å; A892-V903 PolarHBondContact O-N 2.87Å; A892-I905 HydrophobicContact CB-CD1 4.39Å; A892-I905 HydrophobicContact CB-CG1 4.48Å; A892-L933 HydrophobicContact CB-CD1 3.52Å; A892-L933 HydrophobicContact CB-CD2 3.9Å; A892-L933 HydrophobicContact CB-CG 3.69Å; A892-Y934 WeakPolarHBondContact CB-O 3.44Å
893V96.4Very high90.9Very high0 Ų044.2 Ų44.20%025%0.25CS..EExtended strand (participates in β ladder)trans-132140.3177.2175.40000110.6Y874 Y900 E901 R902 Y934 C936Y874-V893 HydrophobicContact CD1-CG1 4.4Å; Y874-V893 HydrophobicContact CD2-CG1 3.98Å; Y874-V893 HydrophobicContact CD2-CG2 4.42Å; Y874-V893 HydrophobicContact CE1-CB 4.41Å; Y874-V893 HydrophobicContact CE2-CB 4.26Å; Y874-V893 HydrophobicContact CE2-CG1 4.12Å; Y874-V893 HydrophobicContact CE2-CG2 3.75Å; Y874-V893 HydrophobicContact CG-CG1 4.14Å; V893-Y900 HydrophobicContact CG1-CD1 4.24Å; V893-E901 WeakPolarHBondContact CA-O 3.1Å; V893-R902 HydrophobicContact CG2-CG 4.41Å; V893-Y934 PolarHBondContact N-O 2.69Å; V893-Y934 WeakPolarHBondContact O-CD2 3.12Å; V893-Y934 PolarHBondContact O-N 2.69Å; V893-C936 HydrophobicContact CG2-CB 4.28Å
894V95.3Very high91.1Very high0 Ų045.9 Ų45.90%026%0.258CS..EExtended strand (participates in β ladder)trans-124158.7174.3-60.10000111.5N896 Y900 E901 V903 V916 L918 Y928 L933V894-N896 HydrophobicContact CG2-CB 4.34Å; V894-Y900 WeakPolarHBondContact O-CA 3.42Å; V894-E901 PolarHBondContact N-O 2.66Å; V894-E901 PolarHBondContact O-N 2.68Å; V894-V903 HydrophobicContact CB-CG1 4.46Å; V894-V903 HydrophobicContact CG1-CG1 4.17Å; V894-V903 HydrophobicContact CG1-CG2 4.14Å; V894-V903 HydrophobicContact CG2-CG1 3.63Å; V894-V916 HydrophobicContact CG1-CG2 4.36Å; V894-L918 HydrophobicContact CG2-CD2 4.43Å; V894-Y928 HydrophobicContact CB-CE1 4.35Å; V894-Y928 HydrophobicContact CB-CE2 4.34Å; V894-Y928 HydrophobicContact CG1-CD2 4.1Å; V894-Y928 HydrophobicContact CG1-CE2 4.28Å; V894-Y928 HydrophobicContact CG1-CG 4.24Å; V894-Y928 HydrophobicContact CG2-CE1 4.42Å; V894-Y928 HydrophobicContact CG2-CE2 3.92Å; V894-L933 HydrophobicContact CG1-CD1 3.53Å
895K93.4Very high91.4Very high74 Ų7440.3 Ų40.332%0.32222%0.222SC..EExtended strand (participates in β ladder)trans-93.4104.4166.9-159.2172.7-158.6153.20110.8E875 R899 Y900E875-K895 IonicContact OE1-NZ 2.72Å; E875-K895 PolarHBondContact OE1-NZ 2.96Å; K895-R899 CarbonylContact C-O 3.54Å; K895-R899 VanDerWaalsContact CA-O 3.26Å; K895-R899 WeakPolarHBondContact CA-O 3.36Å; K895-Y900 HydrophobicContact CB-CD1 4.12Å; K895-Y900 HydrophobicContact CB-CE1 3.82Å; K895-Y900 HydrophobicContact CD-CE1 3.94Å; K895-Y900 HydrophobicContact CD-CE2 4.03Å; K895-Y900 WeakPolarHBondContact CD-OH 3.26Å; K895-Y900 VanDerWaalsContact CE-CE2 3.49Å; K895-Y900 WeakPolarHBondContact CE-OH 3.44Å; K895-Y900 HydrophobicContact CG-CD1 4.25Å; K895-Y900 HydrophobicContact CG-CE1 3.91Å; K895-Y900 HydrophobicContact CG-CE2 4.35Å; K895-Y900 PolarHBondContact NZ-OH 3.31Å
896N88.3Confident91.4Very high22 Ų2237.9 Ų37.912%0.11821%0.211CC..EExtended strand (participates in β ladder)trans-114.3117.4-177.3-172.920.9000111.3V894 N898 R899 E901 Y928V894-N896 HydrophobicContact CG2-CB 4.34Å; N896-N898 VanDerWaalsContact C-N 3.28Å; N896-N898 PolarHBondContact O-N 3.05Å; N896-R899 PolarHBondContact N-O 3.11Å; N896-R899 WeakPolarHBondContact O-CB 3.23Å; N896-R899 PolarHBondContact O-N 3.35Å; N896-E901 HydrophobicContact CB-CG 4.38Å; N896-E901 VanDerWaalsContact CB-OE2 3.27Å; N896-E901 WeakPolarHBondContact CB-OE2 3.35Å; N896-E901 PolarHBondContact ND2-OE2 3.22Å; N896-Y928 WeakPolarHBondContact CB-OH 3.11Å; N896-Y928 PolarHBondContact OD1-OH 2.77Å
897I83.8Confident91.3Very high130 Ų13039.2 Ų39.267%0.66722%0.22SC*.THydrogen-bonded Turntrans44.153.7-178.2-45.6173.9000111.5R899I897-R899 PolarHBondContact O-N 3.12Å; I897-R899 VanDerWaalsContact O-N 3.12Å
898N86.6Confident91.1Very high108 Ų10838.3 Ų38.358%0.57822%0.215SC*.THydrogen-bonded Turntrans62.84.4-176.8-58.8-29.4000117L859 Q871 N896L859-N898 HydrophobicContact CD1-CB 3.95Å; Q871-N898 PolarHBondContact NE2-O 2.92Å; N896-N898 VanDerWaalsContact C-N 3.28Å; N896-N898 PolarHBondContact O-N 3.05Å
899R90.4Very high90.7Very high33 Ų3338.8 Ų38.813%0.12521%0.211CC..EExtended strand (participates in β ladder)trans-95.8153168.8-59.2-166.9-61-93.3-1.4111.7F858 K895 N896 I897 E901F858-R899 HydrophobicContact CD1-CG 3.96Å; F858-R899 HydrophobicContact CE1-CG 4.06Å; K895-R899 CarbonylContact C-O 3.54Å; K895-R899 VanDerWaalsContact CA-O 3.26Å; K895-R899 WeakPolarHBondContact CA-O 3.36Å; N896-R899 PolarHBondContact N-O 3.11Å; N896-R899 WeakPolarHBondContact O-CB 3.23Å; N896-R899 PolarHBondContact O-N 3.35Å; I897-R899 PolarHBondContact O-N 3.12Å; I897-R899 VanDerWaalsContact O-N 3.12Å; R899-E901 HydrophobicContact CB-CG 3.99Å; R899-E901 IonicContact CZ-OE1 3.93Å; R899-E901 IonicContact NE-OE1 2.65Å; R899-E901 PolarHBondContact NE-OE1 3.36Å; R899-E901 IonicContact NH2-OE1 2.96Å; R899-E901 PolarHBondContact NH2-OE1 2.7Å
900Y94.1Very high90.1Very high8 Ų837.6 Ų37.63%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-97.6124.2163.8-69.1-82.7000109.4Y874 E875 R880 V893 V894 K895 Y934Y874-Y900 VanDerWaalsContact CB-CD1 3.45Å; Y874-Y900 VanDerWaalsContact CB-CG 3.44Å; Y874-Y900 HydrophobicContact CG-CD1 4.29Å; Y874-Y900 HydrophobicContact CG-CG 4.46Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.3Å; Y874-Y900 VanDerWaalsContact O-CZ 3.23Å; Y874-Y900 PolarHBondContact O-OH 3.08Å; E875-Y900 HydrophobicContact CB-CE2 4.45Å; R880-Y900 VanDerWaalsContact CZ-OH 3.25Å; R880-Y900 PolarHBondContact NE-OH 2.91Å; V893-Y900 HydrophobicContact CG1-CD1 4.24Å; V894-Y900 WeakPolarHBondContact O-CA 3.42Å; K895-Y900 HydrophobicContact CB-CD1 4.12Å; K895-Y900 HydrophobicContact CB-CE1 3.82Å; K895-Y900 HydrophobicContact CD-CE1 3.94Å; K895-Y900 HydrophobicContact CD-CE2 4.03Å; K895-Y900 WeakPolarHBondContact CD-OH 3.26Å; K895-Y900 VanDerWaalsContact CE-CE2 3.49Å; K895-Y900 WeakPolarHBondContact CE-OH 3.44Å; K895-Y900 HydrophobicContact CG-CD1 4.25Å; K895-Y900 HydrophobicContact CG-CE1 3.91Å; K895-Y900 HydrophobicContact CG-CE2 4.35Å; K895-Y900 PolarHBondContact NZ-OH 3.31Å; Y900-Y934 HydrophobicContact CD1-CD2 4.49Å; Y900-Y934 HydrophobicContact CD1-CE2 4.35Å; Y900-Y934 HydrophobicContact CE1-CD2 4.31Å; Y900-Y934 AromaticContact CE1-CE2 3.82Å; Y900-Y934 HydrophobicContact CE1-CE2 3.82Å
901E93.7Very high89.1Confident5 Ų540.2 Ų40.22%0.02321%0.211CC..EExtended strand (participates in β ladder)trans-129.9135.9-170.8-56.9-171.7142.800110.1V893 V894 N896 R899 L918 T921V893-E901 WeakPolarHBondContact CA-O 3.1Å; V894-E901 PolarHBondContact N-O 2.66Å; V894-E901 PolarHBondContact O-N 2.68Å; N896-E901 HydrophobicContact CB-CG 4.38Å; N896-E901 VanDerWaalsContact CB-OE2 3.27Å; N896-E901 WeakPolarHBondContact CB-OE2 3.35Å; N896-E901 PolarHBondContact ND2-OE2 3.22Å; R899-E901 HydrophobicContact CB-CG 3.99Å; R899-E901 IonicContact CZ-OE1 3.93Å; R899-E901 IonicContact NE-OE1 2.65Å; R899-E901 PolarHBondContact NE-OE1 3.36Å; R899-E901 IonicContact NH2-OE1 2.96Å; R899-E901 PolarHBondContact NH2-OE1 2.7Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.5Å; E901-T921 HydrophobicContact CG-CG2 4.32Å; E901-T921 VanDerWaalsContact OE1-CB 3.26Å; E901-T921 WeakPolarHBondContact OE1-CB 3.41Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.39Å; E901-T921 PolarHBondContact OE1-OG1 3.32Å; E901-T921 PolarHBondContact OE2-OG1 2.84Å
902R95.8Very high88.5Confident1 Ų141.7 Ų41.70%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-72.2139.3173.7-56.9-174.3-55.9150.64.2109.8V870 M891 A892 V893 L919 D920 F940 S943 P944V870-R902 HydrophobicContact CG1-CG 4.42Å; V870-R902 HydrophobicContact CG2-CG 4.11Å; M891-R902 HydrophobicContact SD-CB 4.35Å; A892-R902 WeakPolarHBondContact O-CA 3.5Å; V893-R902 HydrophobicContact CG2-CG 4.41Å; R902-L919 HydrophobicContact CB-CB 4.41Å; R902-L919 HydrophobicContact CB-CD1 4.19Å; R902-L919 WeakPolarHBondContact O-CB 3.48Å; R902-L919 PolarHBondContact O-N 3.29Å; R902-D920 IonicContact CZ-OD1 2.89Å; R902-D920 IonicContact CZ-OD2 3.14Å; R902-D920 IonicContact NE-OD1 2.83Å; R902-D920 IonicContact NE-OD2 3.31Å; R902-D920 PolarHBondContact NE-OD2 2.77Å; R902-D920 IonicContact NH2-OD1 3.19Å; R902-D920 PolarHBondContact NH2-OD1 2.84Å; R902-D920 IonicContact NH2-OD2 3.8Å; R902-D920 PolarHBondContact NH2-OD2 2.77Å; R902-F940 WeakPolarHBondContact CD-O 3.42Å; R902-F940 PolarHBondContact NH1-O 2.79Å; R902-S943 PolarHBondContact NH1-O 3.34Å; R902-P944 PolarHBondContact NH2-O 3.11Å
903V95.4Very high88.3Confident0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-135154.1-178.2-49.90000110.9M891 A892 V894 V916 Q917 L918 L933M891-V903 CarbonylContact C-O 3.55Å; M891-V903 VanDerWaalsContact CA-O 3.29Å; M891-V903 WeakPolarHBondContact CA-O 3.49Å; M891-V903 VanDerWaalsContact CG-O 3.29Å; M891-V903 WeakPolarHBondContact CG-O 3.25Å; A892-V903 HydrophobicContact CB-CG2 3.98Å; A892-V903 PolarHBondContact N-O 3.17Å; A892-V903 PolarHBondContact O-N 2.87Å; V894-V903 HydrophobicContact CB-CG1 4.46Å; V894-V903 HydrophobicContact CG1-CG1 4.17Å; V894-V903 HydrophobicContact CG1-CG2 4.14Å; V894-V903 HydrophobicContact CG2-CG1 3.63Å; V903-V916 HydrophobicContact CB-CB 3.82Å; V903-V916 HydrophobicContact CB-CG2 3.75Å; V903-V916 HydrophobicContact CG1-CB 4.49Å; V903-V916 HydrophobicContact CG1-CG2 3.86Å; V903-V916 HydrophobicContact CG2-CB 3.7Å; V903-V916 HydrophobicContact CG2-CG1 4.05Å; V903-V916 HydrophobicContact CG2-CG2 3.81Å; V903-Q917 CarbonylContact C-O 3.46Å; V903-Q917 WeakPolarHBondContact CA-O 3.5Å; V903-Q917 WeakPolarHBondContact CB-O 3.26Å; V903-L918 HydrophobicContact CG1-CD2 3.53Å; V903-L933 HydrophobicContact CG2-CD1 3.91Å
904H93.3Very high88Confident42 Ų4244 Ų4419%0.19424%0.237CC..EExtended strand (participates in β ladder)trans-109.7125.6169.9175.7-56.6000108V906 V916 Q917 L919H904-V906 PolarHBondContact O-N 2.93Å; H904-V916 CarbonylContact O-C 3.57Å; H904-V916 WeakPolarHBondContact O-CA 3.4Å; H904-Q917 PolarHBondContact N-O 2.55Å; H904-Q917 PolarHBondContact O-N 2.93Å; H904-L919 HydrophobicContact CB-CD1 4.34Å; H904-L919 HydrophobicContact CB-CD2 3.97Å; H904-L919 HydrophobicContact CB-CG 4.4Å
905I92.6Very high87.9Confident0 Ų045.8 Ų45.80%025%0.246CC..EExtended strand (participates in β ladder)trans-67.9124.8178-58.8158.1000107.9P886 V887 G889 E890 A892 V916 L933P886-I905 HydrophobicContact CB-CD1 3.78Å; V887-I905 WeakPolarHBondContact O-CB 3.35Å; V887-I905 WeakPolarHBondContact O-CD1 3.4Å; G889-I905 PolarHBondContact N-O 2.77Å; E890-I905 HydrophobicContact CB-CD1 4.16Å; E890-I905 PolarHBondContact O-N 2.86Å; A892-I905 HydrophobicContact CB-CD1 4.39Å; A892-I905 HydrophobicContact CB-CG1 4.48Å; I905-V916 HydrophobicContact CG1-CG1 4.3Å; I905-L933 HydrophobicContact CD1-CD2 4.02Å; I905-L933 HydrophobicContact CG1-CD2 4.22Å
906V88.9Confident87.9Confident63 Ų6342.3 Ų42.338%0.38223%0.231SC..EExtended strand (participates in β ladder)trans-96.5-46-177.8179.80000110H904 L915 Q917H904-V906 PolarHBondContact O-N 2.93Å; V906-L915 HydrophobicContact CB-CD2 4.34Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.37Å; V906-L915 HydrophobicContact CG1-CD2 4.21Å; V906-L915 PolarHBondContact N-O 3.3Å; V906-Q917 HydrophobicContact CG2-CB 3.71Å
907S86.2Confident88.2Confident42 Ų4242.7 Ų42.729%0.29423%0.232SC..EExtended strand (participates in β ladder)trans-156.3158.2174.953.40000110.4L915S907-L915 PolarHBondContact N-O 3.03Å; S907-L915 PolarHBondContact O-N 3.14Å; S907-L915 WeakPolarHBondContact OG-CB 3.49Å
908V85.4Confident88.7Confident52 Ų5236.6 Ų36.632%0.31520%0.201SC..EExtended strand (participates in β ladder)trans-100.6112.1168.7-179.30000106.1P886 S910 V914P886-V908 WeakPolarHBondContact O-CG2 3.47Å; V908-S910 VanDerWaalsContact CG1-O 3.23Å; V908-S910 WeakPolarHBondContact CG1-O 3.49Å; V908-V914 HydrophobicContact CG1-CG1 4.34Å; V908-V914 HydrophobicContact CG2-CG1 4.27Å
909E77.9Confident89Confident85 Ų8531.7 Ų31.740%0.39717%0.174SC..EExtended strand (participates in β ladder)trans-85.8-25.4-172.4-61.3179.5142.700112M913 L915 S927E909-M913 HydrophobicContact CB-CB 4.36Å; E909-M913 PolarHBondContact N-O 3.03Å; E909-L915 HydrophobicContact CG-CB 4.03Å; E909-S927 VanDerWaalsContact OE2-CB 3.26Å; E909-S927 WeakPolarHBondContact OE2-CB 3.24Å; E909-S927 PolarHBondContact OE2-OG 2.89Å
910S74.9Confident89.1Confident22 Ų2230.5 Ų30.515%0.15417%0.17CC..EExtended strand (participates in β ladder)trans-159.6176.6165.168.80000109V908 S912 M913V908-S910 VanDerWaalsContact CG1-O 3.23Å; V908-S910 WeakPolarHBondContact CG1-O 3.49Å; S910-S912 PolarHBondContact O-N 3.18Å; S910-S912 PolarHBondContact OG-N 3.33Å; S910-S912 PolarHBondContact OG-OG 2.87Å; S910-M913 PolarHBondContact N-O 2.87Å; S910-M913 VanDerWaalsContact N-O 3.17Å; S910-M913 PolarHBondContact O-N 2.92Å; S910-M913 VanDerWaalsContact O-O 3.08Å; S910-M913 PolarHBondContact OG-N 3.31Å
911N68.4Low88.8Confident119 Ų11930.8 Ų30.864%0.63617%0.173SC*.THydrogen-bonded Turntrans-58.2-15.4171.4-67.6-30.5000113.3K157 T930K157-N911 WeakPolarHBondContact CE-OD1 3.46Å; K157-N911 PolarHBondContact NZ-OD1 3.18Å; N911-T930 PolarHBondContact O-OG1 3.33Å
912S82.3Confident88.7Confident70 Ų7030.8 Ų30.849%0.4917%0.173SC..THydrogen-bonded Turntrans-108.6-16.8-179.4720000115.4S910 K929 T930S910-S912 PolarHBondContact O-N 3.18Å; S910-S912 PolarHBondContact OG-N 3.33Å; S910-S912 PolarHBondContact OG-OG 2.87Å; S912-K929 CarbonylContact O-C 3.52Å; S912-K929 VanDerWaalsContact O-CA 3.24Å; S912-K929 WeakPolarHBondContact O-CA 3.35Å; S912-T930 PolarHBondContact O-N 2.77Å; S912-T930 PolarHBondContact O-OG1 3.46Å
913M90.4Very high88.5Confident49 Ų4931.6 Ų31.624%0.24118%0.179CC..EExtended strand (participates in β ladder)trans-131136.5-172-63.9-61.4-58.500112.3E909 S910 S927 Y928 K929E909-M913 HydrophobicContact CB-CB 4.36Å; E909-M913 PolarHBondContact N-O 3.03Å; S910-M913 PolarHBondContact N-O 2.87Å; S910-M913 VanDerWaalsContact N-O 3.17Å; S910-M913 PolarHBondContact O-N 2.92Å; S910-M913 VanDerWaalsContact O-O 3.08Å; S910-M913 PolarHBondContact OG-N 3.31Å; M913-S927 WeakPolarHBondContact CE-OG 3.39Å; M913-Y928 CarbonylContact C-O 3.59Å; M913-Y928 WeakPolarHBondContact CA-O 3.31Å; M913-Y928 WeakPolarHBondContact CE-O 3.33Å; M913-K929 HydrophobicContact SD-CB 4.36Å; M913-K929 HydrophobicContact SD-CG 3.56Å; M913-K929 VanDerWaalsContact SD-CG 3.56Å
914V91.4Very high88.2Confident0 Ų035.4 Ų35.40%020%0.197CC..EExtended strand (participates in β ladder)trans-128.1130.6-179-69.60000110.8P886 V908 V916 S927 Y928 L933P886-V914 HydrophobicContact CB-CG1 3.93Å; P886-V914 HydrophobicContact CG-CG1 4.05Å; V908-V914 HydrophobicContact CG1-CG1 4.34Å; V908-V914 HydrophobicContact CG2-CG1 4.27Å; V914-V916 HydrophobicContact CB-CG1 4.3Å; V914-V916 HydrophobicContact CG2-CG1 4.08Å; V914-S927 WeakPolarHBondContact O-CA 3.01Å; V914-Y928 WeakPolarHBondContact CG2-O 3.38Å; V914-Y928 PolarHBondContact N-O 2.76Å; V914-Y928 PolarHBondContact O-N 3.12Å; V914-L933 HydrophobicContact CG2-CD2 4.33Å
915L93.1Very high88.1Confident37 Ų3736.2 Ų36.219%0.19421%0.206CC..EExtended strand (participates in β ladder)trans-88.6120.3172.7-174.566.5000108.9V906 S907 E909 C925V906-L915 HydrophobicContact CB-CD2 4.34Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.37Å; V906-L915 HydrophobicContact CG1-CD2 4.21Å; V906-L915 PolarHBondContact N-O 3.3Å; S907-L915 PolarHBondContact N-O 3.03Å; S907-L915 PolarHBondContact O-N 3.14Å; S907-L915 WeakPolarHBondContact OG-CB 3.49Å; E909-L915 HydrophobicContact CG-CB 4.03Å; L915-C925 HydrophobicContact CD1-CB 3.84Å; L915-C925 HydrophobicContact CG-CB 4.14Å
916V93.8Very high88Confident0 Ų039.7 Ų39.70%022%0.221CC..EExtended strand (participates in β ladder)trans-127.7136.9-176.6-48.20000111.4V894 V903 H904 I905 V914 C925 F926 Y928 L933V894-V916 HydrophobicContact CG1-CG2 4.36Å; V903-V916 HydrophobicContact CB-CB 3.82Å; V903-V916 HydrophobicContact CB-CG2 3.75Å; V903-V916 HydrophobicContact CG1-CB 4.49Å; V903-V916 HydrophobicContact CG1-CG2 3.86Å; V903-V916 HydrophobicContact CG2-CB 3.7Å; V903-V916 HydrophobicContact CG2-CG1 4.05Å; V903-V916 HydrophobicContact CG2-CG2 3.81Å; H904-V916 CarbonylContact O-C 3.57Å; H904-V916 WeakPolarHBondContact O-CA 3.4Å; I905-V916 HydrophobicContact CG1-CG1 4.3Å; V914-V916 HydrophobicContact CB-CG1 4.3Å; V914-V916 HydrophobicContact CG2-CG1 4.08Å; V916-C925 CarbonylContact O-C 3.52Å; V916-C925 VanDerWaalsContact O-CA 3.25Å; V916-C925 WeakPolarHBondContact O-CA 3.42Å; V916-F926 PolarHBondContact N-O 2.81Å; V916-F926 PolarHBondContact O-N 2.84Å; V916-Y928 HydrophobicContact CG2-CD2 3.69Å; V916-Y928 HydrophobicContact CG2-CE2 4Å; V916-L933 HydrophobicContact CG1-CD1 4.25Å
917Q93.8Very high88.1Confident30 Ų3039.2 Ų39.214%0.1422%0.221CC..EExtended strand (participates in β ladder)trans-88.6128.4172.9168.8165.682.100109.4V903 H904 V906 T923 E924V903-Q917 CarbonylContact C-O 3.46Å; V903-Q917 WeakPolarHBondContact CA-O 3.5Å; V903-Q917 WeakPolarHBondContact CB-O 3.26Å; H904-Q917 PolarHBondContact N-O 2.55Å; H904-Q917 PolarHBondContact O-N 2.93Å; V906-Q917 HydrophobicContact CG2-CB 3.71Å; Q917-T923 PolarHBondContact NE2-O 2.81Å; Q917-E924 WeakPolarHBondContact CA-O 3.38Å
918L93.8Very high88.4Confident3 Ų338.5 Ų38.52%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-67.5147.6171.2-56.2-171.7000110.6V894 E901 V903 S922 E924 F926V894-L918 HydrophobicContact CG2-CD2 4.43Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.5Å; V903-L918 HydrophobicContact CG1-CD2 3.53Å; L918-S922 CarbonylContact C-O 3.58Å; L918-S922 VanDerWaalsContact C-O 3.29Å; L918-S922 WeakPolarHBondContact CB-O 3.26Å; L918-E924 PolarHBondContact N-O 3.39Å; L918-F926 HydrophobicContact CD1-CD2 3.91Å; L918-F926 HydrophobicContact CD1-CE2 3.52Å; L918-F926 HydrophobicContact CD1-CZ 4.48Å; L918-F926 HydrophobicContact CD2-CD2 4.3Å; L918-F926 HydrophobicContact CG-CD2 3.82Å; L918-F926 HydrophobicContact CG-CE2 3.83Å
919L93.8Very high88.7Confident4 Ų441.6 Ų41.62%0.02122%0.221CC..SBendtrans-109.8-27.5-175.9-64.3178.7000114.8M891 R902 H904 R945 E946 A947M891-L919 HydrophobicContact CE-CD1 4Å; M891-L919 HydrophobicContact CG-CD1 3.84Å; M891-L919 HydrophobicContact SD-CD1 3.99Å; R902-L919 HydrophobicContact CB-CB 4.41Å; R902-L919 HydrophobicContact CB-CD1 4.19Å; R902-L919 WeakPolarHBondContact O-CB 3.48Å; R902-L919 PolarHBondContact O-N 3.29Å; H904-L919 HydrophobicContact CB-CD1 4.34Å; H904-L919 HydrophobicContact CB-CD2 3.97Å; H904-L919 HydrophobicContact CB-CG 4.4Å; L919-R945 HydrophobicContact CB-CB 4.2Å; L919-R945 HydrophobicContact CD2-CB 4.27Å; L919-R945 WeakPolarHBondContact O-CB 3.28Å; L919-E946 PolarHBondContact O-N 3.42Å; L919-E946 VanDerWaalsContact O-N 3.17Å; L919-A947 WeakPolarHBondContact O-CB 3.37Å; L919-A947 PolarHBondContact O-N 3.36Å
920D92.2Very high89.3Confident8 Ų839 Ų394%0.04321%0.211CC..SBendtrans-122.2-16.7-166.8-57.7-41.7000114.9R902 E946R902-D920 IonicContact CZ-OD1 2.89Å; R902-D920 IonicContact CZ-OD2 3.14Å; R902-D920 IonicContact NE-OD1 2.83Å; R902-D920 IonicContact NE-OD2 3.31Å; R902-D920 PolarHBondContact NE-OD2 2.77Å; R902-D920 IonicContact NH2-OD1 3.19Å; R902-D920 PolarHBondContact NH2-OD1 2.84Å; R902-D920 IonicContact NH2-OD2 3.8Å; R902-D920 PolarHBondContact NH2-OD2 2.77Å; D920-E946 HydrophobicContact CB-CB 4.25Å; D920-E946 PolarHBondContact OD1-N 2.84Å; D920-E946 VanDerWaalsContact OD1-N 3.17Å
921T88.4Confident90Very high15 Ų1541.4 Ų41.49%0.09223%0.228CC..SBendtrans-127.2-16.3-171.463.70000114.4V837 F861 E901V837-T921 WeakPolarHBondContact CG2-O 3.24Å; F861-T921 HydrophobicContact CD1-CG2 4.45Å; F861-T921 HydrophobicContact CE1-CG2 3.51Å; F861-T921 HydrophobicContact CZ-CG2 3.73Å; E901-T921 HydrophobicContact CG-CG2 4.32Å; E901-T921 VanDerWaalsContact OE1-CB 3.26Å; E901-T921 WeakPolarHBondContact OE1-CB 3.41Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.39Å; E901-T921 PolarHBondContact OE1-OG1 3.32Å; E901-T921 PolarHBondContact OE2-OG1 2.84Å
922S91.1Very high91.1Very high4 Ų439.9 Ų39.93%0.02822%0.217CC..  trans-160165.9174.6-165.90000107Y839 L918 E924 A947Y839-S922 PolarHBondContact OH-OG 2.88Å; L918-S922 CarbonylContact C-O 3.58Å; L918-S922 VanDerWaalsContact C-O 3.29Å; L918-S922 WeakPolarHBondContact CB-O 3.26Å; S922-E924 PolarHBondContact OG-N 2.86Å; S922-E924 PolarHBondContact OG-OE2 2.92Å; S922-A947 WeakPolarHBondContact O-CB 3.5Å
923T90.9Very high91.7Very high19 Ų1936.6 Ų36.612%0.11719%0.194CC..SBendtrans-1064.5165.858.20000112.7Y839 A845 Q917 A947 D949Y839-T923 PolarHBondContact OH-N 3.33Å; Y839-T923 PolarHBondContact OH-OG1 2.84Å; A845-T923 HydrophobicContact CB-CG2 4.33Å; Q917-T923 PolarHBondContact NE2-O 2.81Å; T923-A947 HydrophobicContact CG2-CB 4.05Å; T923-D949 HydrophobicContact CG2-CB 4.45Å
924E89.6Confident91.9Very high80 Ų8036 Ų3637%0.37419%0.189SC..  trans-67.3155176.5-77.2163.4140.200112.9Y839 Q917 L918 S922 F926Y839-E924 HydrophobicContact CD1-CG 4.1Å; Y839-E924 HydrophobicContact CE1-CG 3.45Å; Y839-E924 VanDerWaalsContact CE1-CG 3.45Å; Y839-E924 WeakPolarHBondContact CE1-OE1 3.41Å; Y839-E924 WeakPolarHBondContact CE1-OE2 3.27Å; Q917-E924 WeakPolarHBondContact CA-O 3.38Å; L918-E924 PolarHBondContact N-O 3.39Å; S922-E924 PolarHBondContact OG-N 2.86Å; S922-E924 PolarHBondContact OG-OE2 2.92Å; E924-F926 HydrophobicContact CB-CD2 4.32Å; E924-F926 HydrophobicContact CB-CE2 3.5Å; E924-F926 VanDerWaalsContact CB-CE2 3.5Å; E924-F926 HydrophobicContact CB-CZ 3.79Å
925C90.3Very high92.1Very high59 Ų5937.8 Ų37.840%0.39920%0.201SC..EExtended strand (participates in β ladder)trans-99.8140.1170.3-54.80000110.7L915 V916L915-C925 HydrophobicContact CD1-CB 3.84Å; L915-C925 HydrophobicContact CG-CB 4.14Å; V916-C925 CarbonylContact O-C 3.52Å; V916-C925 VanDerWaalsContact O-CA 3.25Å; V916-C925 WeakPolarHBondContact O-CA 3.42Å
926F90.5Very high92.1Very high72 Ų7236.2 Ų36.232%0.31619%0.193SC..EExtended strand (participates in β ladder)trans-133141.6177.5-62-90.4000109.8V916 L918 E924 Y928V916-F926 PolarHBondContact N-O 2.81Å; V916-F926 PolarHBondContact O-N 2.84Å; L918-F926 HydrophobicContact CD1-CD2 3.91Å; L918-F926 HydrophobicContact CD1-CE2 3.52Å; L918-F926 HydrophobicContact CD1-CZ 4.48Å; L918-F926 HydrophobicContact CD2-CD2 4.3Å; L918-F926 HydrophobicContact CG-CD2 3.82Å; L918-F926 HydrophobicContact CG-CE2 3.83Å; E924-F926 HydrophobicContact CB-CD2 4.32Å; E924-F926 HydrophobicContact CB-CE2 3.5Å; E924-F926 VanDerWaalsContact CB-CE2 3.5Å; E924-F926 HydrophobicContact CB-CZ 3.79Å; F926-Y928 HydrophobicContact CB-CD2 4.09Å; F926-Y928 HydrophobicContact CB-CE2 3.61Å; F926-Y928 HydrophobicContact CG-CE2 4.48Å
927S92.3Very high92.1Very high54 Ų5438.3 Ų38.338%0.37821%0.206SC..EExtended strand (participates in β ladder)trans-89.6123.9173.9-174.50000109.8E909 M913 V914E909-S927 VanDerWaalsContact OE2-CB 3.26Å; E909-S927 WeakPolarHBondContact OE2-CB 3.24Å; E909-S927 PolarHBondContact OE2-OG 2.89Å; M913-S927 WeakPolarHBondContact CE-OG 3.39Å; V914-S927 WeakPolarHBondContact O-CA 3.01Å
928Y92.4Very high91.8Very high27 Ų2742.3 Ų42.311%0.10623%0.225CC..EExtended strand (participates in β ladder)trans-122.3159.2179.4-77.4-86.5000110.5V894 N896 M913 V914 V916 F926 Q932V894-Y928 HydrophobicContact CB-CE1 4.35Å; V894-Y928 HydrophobicContact CB-CE2 4.34Å; V894-Y928 HydrophobicContact CG1-CD2 4.1Å; V894-Y928 HydrophobicContact CG1-CE2 4.28Å; V894-Y928 HydrophobicContact CG1-CG 4.24Å; V894-Y928 HydrophobicContact CG2-CE1 4.42Å; V894-Y928 HydrophobicContact CG2-CE2 3.92Å; N896-Y928 WeakPolarHBondContact CB-OH 3.11Å; N896-Y928 PolarHBondContact OD1-OH 2.77Å; M913-Y928 CarbonylContact C-O 3.59Å; M913-Y928 WeakPolarHBondContact CA-O 3.31Å; M913-Y928 WeakPolarHBondContact CE-O 3.33Å; V914-Y928 WeakPolarHBondContact CG2-O 3.38Å; V914-Y928 PolarHBondContact N-O 2.76Å; V914-Y928 PolarHBondContact O-N 3.12Å; V916-Y928 HydrophobicContact CG2-CD2 3.69Å; V916-Y928 HydrophobicContact CG2-CE2 4Å; F926-Y928 HydrophobicContact CB-CD2 4.09Å; F926-Y928 HydrophobicContact CB-CE2 3.61Å; F926-Y928 HydrophobicContact CG-CE2 4.48Å; Y928-Q932 HydrophobicContact CD1-CB 4.39Å
929K92.2Very high91.5Very high117 Ų11747.1 Ų47.151%0.50925%0.25SC..EExtended strand (participates in β ladder)trans-71145.5168.8-67.8-177.5175.9-169.60110.5S912 M913 S931 Q932S912-K929 CarbonylContact O-C 3.52Å; S912-K929 VanDerWaalsContact O-CA 3.24Å; S912-K929 WeakPolarHBondContact O-CA 3.35Å; M913-K929 HydrophobicContact SD-CB 4.36Å; M913-K929 HydrophobicContact SD-CG 3.56Å; M913-K929 VanDerWaalsContact SD-CG 3.56Å; K929-S931 PolarHBondContact O-N 2.83Å; K929-S931 VanDerWaalsContact O-N 3.13Å; K929-Q932 HydrophobicContact CB-CG 4.09Å; K929-Q932 WeakPolarHBondContact O-CA 3.26Å; K929-Q932 WeakPolarHBondContact O-CB 3.45Å; K929-Q932 PolarHBondContact O-N 2.89Å
930T89.5Confident91.5Very high30 Ų3047.1 Ų47.118%0.18425%0.249CC..G310 helixtrans-52.1-36.4173-53.60000112.2P886 N911 S912 Q932 L933P886-T930 HydrophobicContact CG-CG2 3.78Å; N911-T930 PolarHBondContact O-OG1 3.33Å; S912-T930 PolarHBondContact O-N 2.77Å; S912-T930 PolarHBondContact O-OG1 3.46Å; T930-Q932 PolarHBondContact O-N 2.82Å; T930-L933 WeakPolarHBondContact O-CB 3.35Å; T930-L933 PolarHBondContact O-N 3.42Å
931S89.9Confident91.3Very high72 Ų7249.4 Ų49.450%0.50326%0.259SS..G310 helixtrans-74.1-2176.456.50000115.8K929K929-S931 PolarHBondContact O-N 2.83Å; K929-S931 VanDerWaalsContact O-N 3.13Å
932Q91.8Very high91.2Very high88 Ų8855.3 Ų55.341%0.41129%0.29SS..G310 helixtrans-103.8-0.4173-62.6172.2-48.100112.2Y928 K929 T930Y928-Q932 HydrophobicContact CD1-CB 4.39Å; K929-Q932 HydrophobicContact CB-CG 4.09Å; K929-Q932 WeakPolarHBondContact O-CA 3.26Å; K929-Q932 WeakPolarHBondContact O-CB 3.45Å; K929-Q932 PolarHBondContact O-N 2.89Å; T930-Q932 PolarHBondContact O-N 2.82Å
933L94.3Very high91.1Very high0 Ų056.4 Ų56.40%030%0.298CS..EExtended strand (participates in β ladder)trans-97.7129.8179.1-162.570.5000110.3M882 H883 P886 A892 V894 V903 I905 V914 V916 T930M882-L933 WeakPolarHBondContact CA-O 3.27Å; H883-L933 HydrophobicContact CB-CB 4.14Å; H883-L933 HydrophobicContact CB-CD2 3.82Å; H883-L933 HydrophobicContact CB-CG 3.94Å; H883-L933 PolarHBondContact N-O 2.8Å; P886-L933 HydrophobicContact CB-CD2 3.84Å; P886-L933 HydrophobicContact CG-CD2 3.9Å; A892-L933 HydrophobicContact CB-CD1 3.52Å; A892-L933 HydrophobicContact CB-CD2 3.9Å; A892-L933 HydrophobicContact CB-CG 3.69Å; V894-L933 HydrophobicContact CG1-CD1 3.53Å; V903-L933 HydrophobicContact CG2-CD1 3.91Å; I905-L933 HydrophobicContact CD1-CD2 4.02Å; I905-L933 HydrophobicContact CG1-CD2 4.22Å; V914-L933 HydrophobicContact CG2-CD2 4.33Å; V916-L933 HydrophobicContact CG1-CD1 4.25Å; T930-L933 WeakPolarHBondContact O-CB 3.35Å; T930-L933 PolarHBondContact O-N 3.42Å
934Y95.4Very high91.2Very high38 Ų3858.2 Ų58.215%0.14931%0.31CS..EExtended strand (participates in β ladder)trans-110.7147.3176.1-52.4-66.9000110.7R880 H881 A892 V893 Y900 C936R880-Y934 HydrophobicContact CB-CD1 3.97Å; R880-Y934 HydrophobicContact CB-CE1 3.77Å; R880-Y934 WeakPolarHBondContact O-CD1 3.28Å; H881-Y934 CarbonylContact O-C 3.53Å; H881-Y934 WeakPolarHBondContact O-CA 3.37Å; H881-Y934 WeakPolarHBondContact O-CB 3.4Å; A892-Y934 WeakPolarHBondContact CB-O 3.44Å; V893-Y934 PolarHBondContact N-O 2.69Å; V893-Y934 WeakPolarHBondContact O-CD2 3.12Å; V893-Y934 PolarHBondContact O-N 2.69Å; Y900-Y934 HydrophobicContact CD1-CD2 4.49Å; Y900-Y934 HydrophobicContact CD1-CE2 4.35Å; Y900-Y934 HydrophobicContact CE1-CD2 4.31Å; Y900-Y934 AromaticContact CE1-CE2 3.82Å; Y900-Y934 HydrophobicContact CE1-CE2 3.82Å; Y934-C936 PolarHBondContact O-N 3.28Å
935S94.1Very high91.3Very high36 Ų3656 Ų5625%0.25230%0.298SS..EExtended strand (participates in β ladder)trans-62.6128.8173.3-58.10000110.6Y874 H881Y874-S935 PolarHBondContact OH-O 3.2Å; H881-S935 PolarHBondContact O-N 2.74Å
936C94.3Very high91.5Very high4 Ų453.4 Ų53.43%0.02728%0.28CS..PPolyproline II helixtrans-72.7129.1170.5-164.60000108.9Y874 M891 V893 Y934 K941Y874-C936 WeakPolarHBondContact OH-CA 3.38Å; M891-C936 HydrophobicContact CG-CB 4.39Å; M891-C936 WeakPolarHBondContact O-CB 3.2Å; V893-C936 HydrophobicContact CG2-CB 4.28Å; Y934-C936 PolarHBondContact O-N 3.28Å; C936-K941 HydrophobicContact CB-CG 4.06Å; C936-K941 VanDerWaalsContact O-CE 3.22Å; C936-K941 WeakPolarHBondContact O-CE 3.11Å
937V92.5Very high91.7Very high44 Ų4450 Ų5027%0.26727%0.265SS..PPolyproline II helixtrans-78.8144.1173.6-69.40000110.6Y874 I939 F940 K941Y874-V937 PolarHBondContact OH-N 2.86Å; Y874-V937 VanDerWaalsContact OH-N 3.16Å; V937-I939 HydrophobicContact CB-CG1 4.31Å; V937-I939 HydrophobicContact CG2-CD1 4.12Å; V937-I939 HydrophobicContact CG2-CG1 3.61Å; V937-I939 PolarHBondContact O-N 2.99Å; V937-F940 HydrophobicContact CG2-CD2 3.34Å; V937-F940 HydrophobicContact CG2-CE2 3.59Å; V937-F940 HydrophobicContact CG2-CG 4.18Å; V937-F940 PolarHBondContact O-N 2.83Å; V937-K941 PolarHBondContact O-N 3.32Å
938E88.3Confident91.8Very high114 Ų11447.4 Ų47.453%0.53325%0.247SC..Hα-helixtrans-51.1-39-171-55.7-52121.200113.8F940 K941 D942E938-F940 PolarHBondContact O-N 3.41Å; E938-K941 PolarHBondContact O-N 3.42Å; E938-K941 WeakPolarHBondContact OE1-CE 3.43Å; E938-K941 IonicContact OE1-NZ 3.78Å; E938-K941 PolarHBondContact OE1-NZ 3.26Å; E938-K941 WeakPolarHBondContact OE2-CD 3.36Å; E938-K941 IonicContact OE2-NZ 3.94Å; E938-D942 PolarHBondContact O-N 3.29Å
939I88.5Confident91.9Very high104 Ų10446.9 Ų46.953%0.53325%0.246SC..Hα-helixtrans-56.4-13.2175.862.8167000115.1V937V937-I939 HydrophobicContact CB-CG1 4.31Å; V937-I939 HydrophobicContact CG2-CD1 4.12Å; V937-I939 HydrophobicContact CG2-CG1 3.61Å; V937-I939 PolarHBondContact O-N 2.99Å
940F92.3Very high92.1Very high4 Ų441.3 Ų41.32%0.01822%0.222CC..Hα-helixtrans-115-11174.9-57.6-37.7000113.4L866 R869 V870 H873 Y874 R902 V937 E938L866-F940 HydrophobicContact CD1-CD1 3.9Å; R869-F940 HydrophobicContact CB-CE1 3.86Å; R869-F940 HydrophobicContact CB-CZ 4.24Å; V870-F940 HydrophobicContact CG2-CB 4.38Å; V870-F940 HydrophobicContact CG2-CD1 3.84Å; V870-F940 HydrophobicContact CG2-CD2 3.91Å; V870-F940 HydrophobicContact CG2-CE1 4.04Å; V870-F940 HydrophobicContact CG2-CE2 4.1Å; V870-F940 HydrophobicContact CG2-CG 3.78Å; V870-F940 HydrophobicContact CG2-CZ 4.16Å; H873-F940 HydrophobicContact CB-CE2 3.75Å; H873-F940 HydrophobicContact CB-CZ 3.82Å; H873-F940 AromaticContact CD2-CE2 3.94Å; H873-F940 AromaticContact CG-CE2 3.76Å; Y874-F940 HydrophobicContact CD2-CE2 4.5Å; Y874-F940 AromaticContact CE2-CD2 3.93Å; Y874-F940 HydrophobicContact CE2-CD2 3.93Å; Y874-F940 AromaticContact CE2-CE2 3.89Å; Y874-F940 HydrophobicContact CE2-CE2 3.89Å; R902-F940 WeakPolarHBondContact CD-O 3.42Å; R902-F940 PolarHBondContact NH1-O 2.79Å; V937-F940 HydrophobicContact CG2-CD2 3.34Å; V937-F940 HydrophobicContact CG2-CE2 3.59Å; V937-F940 HydrophobicContact CG2-CG 4.18Å; V937-F940 PolarHBondContact O-N 2.83Å; E938-F940 PolarHBondContact O-N 3.41Å
941K88.9Confident92.5Very high56 Ų5641.7 Ų41.724%0.24322%0.22CC..Hα-helixtrans-75.7-40.4172.6-68.8-173.8-177.8164.50111.7E890 M891 C936 V937 E938 S943E890-K941 IonicContact OE1-NZ 3.57Å; M891-K941 HydrophobicContact CB-CG 4.46Å; M891-K941 HydrophobicContact SD-CG 4.45Å; C936-K941 HydrophobicContact CB-CG 4.06Å; C936-K941 VanDerWaalsContact O-CE 3.22Å; C936-K941 WeakPolarHBondContact O-CE 3.11Å; V937-K941 PolarHBondContact O-N 3.32Å; E938-K941 PolarHBondContact O-N 3.42Å; E938-K941 WeakPolarHBondContact OE1-CE 3.43Å; E938-K941 IonicContact OE1-NZ 3.78Å; E938-K941 PolarHBondContact OE1-NZ 3.26Å; E938-K941 WeakPolarHBondContact OE2-CD 3.36Å; E938-K941 IonicContact OE2-NZ 3.94Å; K941-S943 PolarHBondContact O-N 2.87Å; K941-S943 VanDerWaalsContact O-N 3.13Å
942D86.1Confident92.8Very high139 Ų13938.5 Ų38.574%0.74320%0.197SC*.SBendtrans-63.1-18.3-179.3-64.2-28000114.5E938E938-D942 PolarHBondContact O-N 3.29Å
943S89.4Confident92.9Very high27 Ų2735.5 Ų35.519%0.18918%0.184CC..SBendtrans-83.7135.2-176.3-61.90000111.7R902 K941R902-S943 PolarHBondContact NH1-O 3.34Å; K941-S943 PolarHBondContact O-N 2.87Å; K941-S943 VanDerWaalsContact O-N 3.13Å
944P91.8Very high92.9Very high58 Ų5835.5 Ų35.538%0.37718%0.184SC..PPolyproline II helixtrans-62.3166.1176.628.1-36000112.1F852 R902F852-P944 HydrophobicContact CE1-CG 3.97Å; F852-P944 HydrophobicContact CZ-CG 3.99Å; R902-P944 PolarHBondContact NH2-O 3.11Å
945R92.5Very high92.9Very high32 Ų3233.7 Ų33.712%0.12118%0.177CC..PPolyproline II helixtrans-74.1140.117564.917766.6-145.6-1.4110.6Y825 L919Y825-R945 HydrophobicContact CE2-CG 4.48Å; L919-R945 HydrophobicContact CB-CB 4.2Å; L919-R945 HydrophobicContact CD2-CB 4.27Å; L919-R945 WeakPolarHBondContact O-CB 3.28Å
946E93.9Very high92.8Very high6 Ų632 Ų323%0.02817%0.165CC..  trans-93.6-25.7178.8-63.5-170.7-179.100114.4R847 F852 S864 L866 L919 D920R847-E946 WeakPolarHBondContact CD-OE2 3.17Å; R847-E946 HydrophobicContact CG-CB 4.22Å; R847-E946 IonicContact CZ-OE2 2.66Å; R847-E946 IonicContact NE-OE2 2.64Å; R847-E946 IonicContact NH1-OE2 3.09Å; R847-E946 PolarHBondContact NH1-OE2 3.01Å; F852-E946 HydrophobicContact CB-CG 4.27Å; F852-E946 HydrophobicContact CD1-CG 3.9Å; F852-E946 HydrophobicContact CD2-CG 4.47Å; F852-E946 HydrophobicContact CE1-CG 4.37Å; F852-E946 HydrophobicContact CG-CB 4.43Å; F852-E946 HydrophobicContact CG-CG 3.96Å; S864-E946 WeakPolarHBondContact CB-OE1 3.26Å; S864-E946 VanDerWaalsContact CB-OE2 3.3Å; S864-E946 WeakPolarHBondContact CB-OE2 3.36Å; S864-E946 PolarHBondContact OG-OE1 3.47Å; S864-E946 PolarHBondContact OG-OE2 3.38Å; L866-E946 WeakPolarHBondContact CB-OE1 3.4Å; L919-E946 PolarHBondContact O-N 3.42Å; L919-E946 VanDerWaalsContact O-N 3.17Å; D920-E946 HydrophobicContact CB-CB 4.25Å; D920-E946 PolarHBondContact OD1-N 2.84Å; D920-E946 VanDerWaalsContact OD1-N 3.17Å
947A94.3Very high92.5Very high0 Ų032.1 Ų32.10%017%0.165CC..  trans-89.2123.5178.700000110.9L836 L919 S922 T923L836-A947 HydrophobicContact CD1-CB 3.84Å; L919-A947 WeakPolarHBondContact O-CB 3.37Å; L919-A947 PolarHBondContact O-N 3.36Å; S922-A947 WeakPolarHBondContact O-CB 3.5Å; T923-A947 HydrophobicContact CG2-CB 4.05Å
948M95.2Very high92Very high0 Ų033.1 Ų33.10%017%0.167CC..EExtended strand (participates in β ladder)trans-118.2138.7178.3-56.8180175.500109.7Y825 A845 V846 L848 F852 I1000Y825-M948 HydrophobicContact CD1-SD 4.42Å; Y825-M948 HydrophobicContact CD2-CE 3.8Å; Y825-M948 HydrophobicContact CD2-CG 4.45Å; Y825-M948 HydrophobicContact CD2-SD 4.18Å; Y825-M948 HydrophobicContact CE1-CB 4.09Å; Y825-M948 HydrophobicContact CE1-CG 4.1Å; Y825-M948 HydrophobicContact CE1-SD 4.4Å; Y825-M948 HydrophobicContact CE2-CE 3.94Å; Y825-M948 HydrophobicContact CE2-CG 3.86Å; Y825-M948 HydrophobicContact CE2-SD 4.18Å; Y825-M948 HydrophobicContact CG-CE 4.38Å; Y825-M948 HydrophobicContact CG-SD 4.31Å; A845-M948 WeakPolarHBondContact CA-O 3.21Å; V846-M948 HydrophobicContact CG2-CB 4.33Å; V846-M948 PolarHBondContact N-O 3.06Å; V846-M948 PolarHBondContact O-N 3.41Å; L848-M948 HydrophobicContact CD1-CE 3.78Å; L848-M948 HydrophobicContact CD1-SD 3.58Å; L848-M948 VanDerWaalsContact CD1-SD 3.58Å; L848-M948 HydrophobicContact CD2-SD 4.38Å; L848-M948 HydrophobicContact CG-CE 4.23Å; L848-M948 HydrophobicContact CG-SD 3.71Å; F852-M948 HydrophobicContact CE2-CE 4.07Å; M948-I1000 HydrophobicContact CB-CD1 4.08Å; M948-I1000 HydrophobicContact CG-CD1 4.47Å; M948-I1000 HydrophobicContact SD-CD1 3.65Å
949D95.3Very high91.9Very high15 Ų1529.2 Ų29.28%0.0815%0.152CC..EExtended strand (participates in β ladder)trans-79122.9171-173.5-9.1000108.7S843 L844 T923 R951 T999 I1000S843-D949 PolarHBondContact OG-OD1 3.21Å; L844-D949 WeakPolarHBondContact O-CA 2.95Å; T923-D949 HydrophobicContact CG2-CB 4.45Å; D949-R951 VanDerWaalsContact CG-NE 3.33Å; D949-R951 VanDerWaalsContact OD1-CG 3.24Å; D949-R951 WeakPolarHBondContact OD1-CG 3.19Å; D949-R951 IonicContact OD1-NE 2.64Å; D949-R951 PolarHBondContact OD1-NE 2.9Å; D949-R951 VanDerWaalsContact OD1-NE 3.14Å; D949-R951 IonicContact OD2-CZ 2.69Å; D949-R951 IonicContact OD2-NE 3.49Å; D949-R951 PolarHBondContact OD2-NE 3.12Å; D949-R951 IonicContact OD2-NH2 2.68Å; D949-R951 PolarHBondContact OD2-NH2 2.99Å; D949-T999 WeakPolarHBondContact O-CA 3.05Å; D949-I1000 PolarHBondContact O-N 2.96Å
950L96.8Very high91.8Very high0 Ų024.3 Ų24.30%013%0.127CC..EExtended strand (participates in β ladder)trans-123.3124.2-179.2179.7135.4000109.7I831 F833 S843 L844 V846 I1000 V1002 I1005I831-L950 HydrophobicContact CD1-CD1 3.54Å; F833-L950 HydrophobicContact CE1-CD1 4.18Å; F833-L950 HydrophobicContact CE2-CD2 4.38Å; F833-L950 HydrophobicContact CZ-CD1 4.36Å; F833-L950 HydrophobicContact CZ-CD2 3.98Å; S843-L950 WeakPolarHBondContact CA-O 3.24Å; L844-L950 HydrophobicContact CD1-CD2 4.35Å; L844-L950 PolarHBondContact N-O 3.22Å; L844-L950 PolarHBondContact O-N 3.08Å; V846-L950 HydrophobicContact CG1-CB 4.05Å; V846-L950 HydrophobicContact CG1-CD2 4.39Å; V846-L950 HydrophobicContact CG2-CB 3.7Å; V846-L950 HydrophobicContact CG2-CD1 4.16Å; V846-L950 HydrophobicContact CG2-CG 4.47Å; L950-I1000 WeakPolarHBondContact CA-O 3.46Å; L950-I1000 HydrophobicContact CD1-CB 4.35Å; L950-I1000 HydrophobicContact CD1-CG2 4.1Å; L950-V1002 HydrophobicContact CD1-CG1 4Å; L950-V1002 HydrophobicContact CD2-CG2 4.07Å; L950-V1002 HydrophobicContact CG-CG1 4.37Å; L950-V1002 HydrophobicContact CG-CG2 4.36Å; L950-I1005 HydrophobicContact CD2-CD1 3.31Å; L950-I1005 HydrophobicContact CD2-CG1 3.98Å
951R96.1Very high91.5Very high39 Ų3927.5 Ų27.515%0.14715%0.145CC..EExtended strand (participates in β ladder)trans-125.8141-169.8-56.3-168.6-178.7178.2-2.8112.6A798 A799 A842 D949 L953 T999 I1000 F1001 V1002A798-R951 PolarHBondContact O-NH1 2.87Å; A799-R951 VanDerWaalsContact CB-NH1 3.33Å; A842-R951 CarbonylContact O-C 3.51Å; A842-R951 VanDerWaalsContact O-CA 3.24Å; A842-R951 WeakPolarHBondContact O-CA 3.5Å; D949-R951 VanDerWaalsContact CG-NE 3.33Å; D949-R951 VanDerWaalsContact OD1-CG 3.24Å; D949-R951 WeakPolarHBondContact OD1-CG 3.19Å; D949-R951 IonicContact OD1-NE 2.64Å; D949-R951 PolarHBondContact OD1-NE 2.9Å; D949-R951 VanDerWaalsContact OD1-NE 3.14Å; D949-R951 IonicContact OD2-CZ 2.69Å; D949-R951 IonicContact OD2-NE 3.49Å; D949-R951 PolarHBondContact OD2-NE 3.12Å; D949-R951 IonicContact OD2-NH2 2.68Å; D949-R951 PolarHBondContact OD2-NH2 2.99Å; R951-L953 PolarHBondContact O-N 3.24Å; R951-T999 HydrophobicContact CB-CG2 4.39Å; R951-T999 HydrophobicContact CG-CG2 3.77Å; R951-I1000 PolarHBondContact N-O 2.89Å; R951-F1001 HydrophobicContact CB-CD1 4.26Å; R951-F1001 HydrophobicContact CB-CE1 4.31Å; R951-V1002 WeakPolarHBondContact O-CG2 3.41Å; R951-V1002 PolarHBondContact O-N 3.13Å
952I96.4Very high91.5Very high5 Ų525.6 Ų25.63%0.02614%0.136CC..EExtended strand (participates in β ladder)trans-81.9115.8171.9-59.4-179.6000108.4A842 G954 L955 V1002 I1005 L1013 L1014A842-I952 PolarHBondContact O-N 2.83Å; I952-G954 PolarHBondContact O-N 3.02Å; I952-L955 HydrophobicContact CB-CB 4.07Å; I952-L955 HydrophobicContact CB-CD2 3.98Å; I952-L955 HydrophobicContact CD1-CD2 3.95Å; I952-L955 HydrophobicContact CG2-CB 3.75Å; I952-L955 HydrophobicContact CG2-CD2 3.83Å; I952-L955 HydrophobicContact CG2-CG 4.44Å; I952-L955 PolarHBondContact O-N 3.08Å; I952-V1002 WeakPolarHBondContact CA-O 3.48Å; I952-V1002 HydrophobicContact CG1-CG2 4.42Å; I952-I1005 HydrophobicContact CD1-CD1 4.33Å; I952-I1005 HydrophobicContact CD1-CG1 4.38Å; I952-I1005 HydrophobicContact CG1-CD1 4.21Å; I952-I1005 HydrophobicContact CG1-CG1 4.31Å; I952-L1013 HydrophobicContact CD1-CD2 4.01Å; I952-L1013 HydrophobicContact CD1-CG 4.15Å; I952-L1014 HydrophobicContact CG2-CD1 4.21Å
953L95.3Very high91.6Very high25 Ų2525 Ų2513%0.13113%0.131CC..THydrogen-bonded Turntrans-56.8127.2-175.8-178.769.8000111.8R951 L955 F1001 V1002 C1029 Q1030 L1033R951-L953 PolarHBondContact O-N 3.24Å; L953-L955 PolarHBondContact O-N 2.8Å; L953-L955 VanDerWaalsContact O-N 3.11Å; L953-F1001 HydrophobicContact CD1-CD1 4.13Å; L953-V1002 WeakPolarHBondContact CB-O 3.38Å; L953-V1002 PolarHBondContact N-O 3.46Å; L953-C1029 HydrophobicContact CD1-CB 4.09Å; L953-C1029 HydrophobicContact CG-CB 4.36Å; L953-Q1030 HydrophobicContact CD1-CB 4.42Å; L953-Q1030 HydrophobicContact CD2-CB 4.14Å; L953-L1033 HydrophobicContact CD1-CD1 3.83Å
954G93.1Very high91.6Very high0 Ų025.2 Ų25.20%013%0.128CC..THydrogen-bonded Turntrans72.5-8.9176.100000116.6I952 Q956 D1026 C1029I952-G954 PolarHBondContact O-N 3.02Å; G954-Q956 PolarHBondContact O-N 3.23Å; G954-D1026 PolarHBondContact O-N 2.73Å; G954-C1029 VanDerWaalsContact CA-CB 3.46Å; G954-C1029 PolarHBondContact N-SG 3.2Å; G954-C1029 VanDerWaalsContact N-SG 3.42Å
955L95.3Very high91.3Very high0 Ų023.8 Ų23.80%012%0.119CC..EExtended strand (participates in β ladder)trans-77.8107.4-175.4-178.861.6000111.4A842 I952 L953 W964 L1014 V1017 I1018A842-L955 HydrophobicContact CB-CB 4.08Å; A842-L955 HydrophobicContact CB-CD2 3.97Å; A842-L955 HydrophobicContact CB-CG 3.97Å; A842-L955 VanDerWaalsContact CB-O 3.26Å; A842-L955 WeakPolarHBondContact CB-O 3.28Å; I952-L955 HydrophobicContact CB-CB 4.07Å; I952-L955 HydrophobicContact CB-CD2 3.98Å; I952-L955 HydrophobicContact CD1-CD2 3.95Å; I952-L955 HydrophobicContact CG2-CB 3.75Å; I952-L955 HydrophobicContact CG2-CD2 3.83Å; I952-L955 HydrophobicContact CG2-CG 4.44Å; I952-L955 PolarHBondContact O-N 3.08Å; L953-L955 PolarHBondContact O-N 2.8Å; L953-L955 VanDerWaalsContact O-N 3.11Å; L955-W964 HydrophobicContact CD1-CH2 4.35Å; L955-W964 HydrophobicContact CD1-CZ2 4.47Å; L955-W964 HydrophobicContact CG-CH2 4.34Å; L955-W964 HydrophobicContact CG-CZ2 4.06Å; L955-L1014 HydrophobicContact CD1-CD1 3.88Å; L955-L1014 HydrophobicContact CD2-CD1 3.89Å; L955-L1014 HydrophobicContact CG-CD1 4.3Å; L955-V1017 HydrophobicContact CD1-CG1 4.36Å; L955-V1017 HydrophobicContact CD2-CG1 4.22Å; L955-I1018 HydrophobicContact CD1-CG1 4.43Å
956Q91.8Very high90.8Very high0 Ų025.8 Ų25.80%013%0.132CC..EExtended strand (participates in β ladder)trans-131153.7-177.473.6-162.1-85.300111.4F800 G954 S1023 H1024 D1026F800-Q956 HydrophobicContact CE1-CB 3.88Å; F800-Q956 HydrophobicContact CZ-CB 4.09Å; G954-Q956 PolarHBondContact O-N 3.23Å; Q956-S1023 CarbonylContact O-C 3.58Å; Q956-S1023 VanDerWaalsContact O-CA 3.26Å; Q956-S1023 WeakPolarHBondContact O-CA 3.38Å; Q956-S1023 WeakPolarHBondContact O-CB 3.08Å; Q956-H1024 HydrophobicContact CG-CB 4.38Å; Q956-H1024 PolarHBondContact N-O 2.81Å; Q956-H1024 PolarHBondContact O-N 2.86Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.28Å
957P89.4Confident90.2Very high6 Ų626 Ų264%0.03913%0.133CC..EExtended strand (participates in β ladder)trans-75.1164.5174.832.1-30.5000110.6S959 R962 I963 W964 R1022P957-S959 PolarHBondContact O-N 2.76Å; P957-R962 VanDerWaalsContact CG-C 3.44Å; P957-R962 WeakPolarHBondContact CG-O 3.46Å; P957-I963 WeakPolarHBondContact CG-O 3.48Å; P957-W964 HydrophobicContact CB-CD2 3.86Å; P957-W964 HydrophobicContact CB-CE3 3.97Å; P957-W964 HydrophobicContact CB-CG 4.3Å; P957-W964 HydrophobicContact CB-CZ2 4.49Å; P957-W964 HydrophobicContact CB-CZ3 4.36Å; P957-W964 HydrophobicContact CG-CD2 4.07Å; P957-W964 HydrophobicContact CG-CG 4.09Å; P957-R1022 WeakPolarHBondContact CA-O 3.18Å
958E81.7Confident89.9Confident66 Ų6626 Ų2631%0.30813%0.133SC..SBendtrans-72.855175.8-71.9172.1-158.900113.3M761 R1022M761-E958 HydrophobicContact CE-CB 3.81Å; M761-E958 HydrophobicContact CE-CG 4.08Å; E958-R1022 HydrophobicContact CB-CB 4.14Å; E958-R1022 VanDerWaalsContact CD-CB 3.49Å; E958-R1022 HydrophobicContact CG-CB 4.04Å; E958-R1022 PolarHBondContact N-O 3.05Å; E958-R1022 VanDerWaalsContact N-O 3.11Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.37Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.09Å
959S85.3Confident89.7Confident31 Ų3129.4 Ų29.422%0.21715%0.146CC..SBendtrans-146.3146.3176.568.20000112.3P957 D961 R962 I963P957-S959 PolarHBondContact O-N 2.76Å; S959-D961 VanDerWaalsContact C-N 3.33Å; S959-R962 WeakPolarHBondContact O-CG 3.4Å; S959-R962 PolarHBondContact O-N 2.77Å; S959-R962 VanDerWaalsContact O-N 3.12Å; S959-R962 PolarHBondContact OG-N 2.87Å; S959-I963 PolarHBondContact OG-N 3.2Å
960L87.8Confident89.3Confident1 Ų131.5 Ų31.51%0.00516%0.157CC..THydrogen-bonded Turntrans-69.6-31.1178.4-59.9-170.6000112.8W754 C757 D758 M761 L772 Q796 L804 R962W754-L960 HydrophobicContact CD2-CD1 4Å; W754-L960 HydrophobicContact CG-CD1 4.3Å; W754-L960 HydrophobicContact CH2-CD1 4.47Å; W754-L960 HydrophobicContact CZ2-CB 3.88Å; W754-L960 HydrophobicContact CZ2-CD1 3.79Å; W754-L960 HydrophobicContact CZ2-CG 4.42Å; C757-L960 HydrophobicContact CB-CD1 3.82Å; C757-L960 HydrophobicContact CB-CD2 4.35Å; D758-L960 HydrophobicContact CB-CD1 3.95Å; M761-L960 HydrophobicContact CG-CD2 4.06Å; L772-L960 HydrophobicContact CD2-CD2 3.64Å; Q796-L960 PolarHBondContact NE2-O 2.73Å; L804-L960 HydrophobicContact CD1-CD2 4.49Å; L960-R962 PolarHBondContact O-N 3.45Å
961D85.4Confident88.8Confident72 Ų7233 Ų3339%0.38517%0.165SC..THydrogen-bonded Turntrans-69.9-16.8172.8-56.9-51.9000112.3Q796 S959 I963Q796-D961 PolarHBondContact NE2-O 3.16Å; S959-D961 VanDerWaalsContact C-N 3.33Å; D961-I963 HydrophobicContact CB-CD1 4.08Å; D961-I963 HydrophobicContact CB-CG1 4.04Å; D961-I963 PolarHBondContact O-N 3.19Å
962R89.5Confident88.5Confident15 Ų1531.1 Ų31.16%0.05716%0.158CC..  trans58.326.4-179.4-60.4179168151.3-26.1114.5Q796 F800 D802 P957 S959 L960Q796-R962 VanDerWaalsContact OE1-NH1 3.14Å; F800-R962 VanDerWaalsContact CD2-CD 3.41Å; F800-R962 HydrophobicContact CE2-CB 4.19Å; F800-R962 HydrophobicContact CE2-CG 4.42Å; D802-R962 PolarHBondContact O-NH1 3.02Å; D802-R962 IonicContact OD1-CZ 3.48Å; D802-R962 IonicContact OD1-NH1 2.77Å; D802-R962 PolarHBondContact OD1-NH1 3.46Å; D802-R962 IonicContact OD1-NH2 2.74Å; D802-R962 PolarHBondContact OD1-NH2 3.36Å; D802-R962 IonicContact OD2-NH2 3.66Å; D802-R962 PolarHBondContact OD2-NH2 3.02Å; P957-R962 VanDerWaalsContact CG-C 3.44Å; P957-R962 WeakPolarHBondContact CG-O 3.46Å; S959-R962 WeakPolarHBondContact O-CG 3.4Å; S959-R962 PolarHBondContact O-N 2.77Å; S959-R962 VanDerWaalsContact O-N 3.12Å; S959-R962 PolarHBondContact OG-N 2.87Å; L960-R962 PolarHBondContact O-N 3.45Å
963I87.6Confident88.2Confident127 Ų12735.9 Ų35.965%0.65118%0.176SC*.PPolyproline II helixtrans-86.9127.5177.9-57.2176.1000109.2P957 S959 D961P957-I963 WeakPolarHBondContact CG-O 3.48Å; S959-I963 PolarHBondContact OG-N 3.2Å; D961-I963 HydrophobicContact CB-CD1 4.08Å; D961-I963 HydrophobicContact CB-CG1 4.04Å; D961-I963 PolarHBondContact O-N 3.19Å
964W89Confident87.7Confident31 Ų3141.8 Ų41.812%0.11720%0.201CC..PPolyproline II helixtrans-83.3143.9173-69.892.4000111P841 A842 L955 P957 A968 V1017 F1021 S1023P841-W964 HydrophobicContact CB-CD2 4.16Å; P841-W964 HydrophobicContact CB-CE3 4.01Å; P841-W964 HydrophobicContact CB-CH2 3.96Å; P841-W964 HydrophobicContact CB-CZ2 4.14Å; P841-W964 HydrophobicContact CB-CZ3 3.9Å; P841-W964 HydrophobicContact CG-CD2 3.85Å; P841-W964 HydrophobicContact CG-CE3 3.57Å; P841-W964 HydrophobicContact CG-CG 4.38Å; P841-W964 HydrophobicContact CG-CH2 4.43Å; P841-W964 HydrophobicContact CG-CZ3 3.89Å; A842-W964 HydrophobicContact CB-CZ2 4.08Å; L955-W964 HydrophobicContact CD1-CH2 4.35Å; L955-W964 HydrophobicContact CD1-CZ2 4.47Å; L955-W964 HydrophobicContact CG-CH2 4.34Å; L955-W964 HydrophobicContact CG-CZ2 4.06Å; P957-W964 HydrophobicContact CB-CD2 3.86Å; P957-W964 HydrophobicContact CB-CE3 3.97Å; P957-W964 HydrophobicContact CB-CG 4.3Å; P957-W964 HydrophobicContact CB-CZ2 4.49Å; P957-W964 HydrophobicContact CB-CZ3 4.36Å; P957-W964 HydrophobicContact CG-CD2 4.07Å; P957-W964 HydrophobicContact CG-CG 4.09Å; W964-A968 HydrophobicContact CE3-CB 4.46Å; W964-V1017 HydrophobicContact CH2-CG1 3.69Å; W964-V1017 HydrophobicContact CZ3-CG1 4.03Å; W964-F1021 HydrophobicContact CZ3-CB 4.16Å; W964-S1023 VanDerWaalsContact CH2-CB 3.48Å
965P85.1Confident87.3Confident29 Ų2943.9 Ų43.919%0.18821%0.211CC..PPolyproline II helixtrans-71.8152.2176.530.5-34.5000112.1P547 D967 A968 R969P547-P965 HydrophobicContact CG-CB 4.35Å; P547-P965 HydrophobicContact CG-CG 4.02Å; P965-D967 VanDerWaalsContact C-N 3.26Å; P965-D967 WeakPolarHBondContact CB-OD1 3.46Å; P965-D967 WeakPolarHBondContact CG-OD1 3.49Å; P965-D967 PolarHBondContact O-N 3.03Å; P965-A968 HydrophobicContact CG-CB 3.83Å; P965-A968 PolarHBondContact O-N 3.28Å; P965-A968 VanDerWaalsContact O-N 3.15Å; P965-R969 PolarHBondContact O-N 2.92Å
966D83Confident87Confident73 Ų7344.2 Ų44.239%0.3921%0.213SC..Hα-helixtrans-61.8-32.8-178-76.3-56.7000112.5R969 N970D966-R969 IonicContact OD1-CZ 2.71Å; D966-R969 IonicContact OD1-NH1 2.73Å; D966-R969 PolarHBondContact OD1-NH1 3.08Å; D966-R969 IonicContact OD1-NH2 3.57Å; D966-R969 PolarHBondContact OD1-NH2 3.27Å; D966-N970 WeakPolarHBondContact O-CB 3.49Å; D966-N970 VanDerWaalsContact O-CG 3.24Å; D966-N970 PolarHBondContact O-N 2.89Å; D966-N970 PolarHBondContact O-ND2 3.47Å
967D81.8Confident86.7Confident10 Ų1045.1 Ų45.15%0.05322%0.217CC..Hα-helixtrans-66.5-36.3177.479.8-32.9000111.9L546 P547 N548 P965 N970 L971L546-D967 HydrophobicContact CD2-CB 4.07Å; P547-D967 VanDerWaalsContact CD-OD1 3.26Å; P547-D967 WeakPolarHBondContact CD-OD1 3.45Å; P547-D967 WeakPolarHBondContact CD-OD2 3.44Å; P547-D967 WeakPolarHBondContact CG-OD1 3.45Å; P547-D967 WeakPolarHBondContact CG-OD2 3.35Å; N548-D967 VanDerWaalsContact CB-OD2 3.24Å; N548-D967 WeakPolarHBondContact CB-OD2 3.25Å; N548-D967 PolarHBondContact N-OD2 3.23Å; N548-D967 PolarHBondContact ND2-OD2 3.15Å; P965-D967 VanDerWaalsContact C-N 3.26Å; P965-D967 WeakPolarHBondContact CB-OD1 3.46Å; P965-D967 WeakPolarHBondContact CG-OD1 3.49Å; P965-D967 PolarHBondContact O-N 3.03Å; D967-N970 PolarHBondContact O-N 3.21Å; D967-L971 WeakPolarHBondContact O-CB 3.43Å; D967-L971 PolarHBondContact O-N 3.43Å
968A87.8Confident86Confident0 Ų053.2 Ų53.20%025%0.247CC..Hα-helixtrans-68-45.817700000111.9P841 W964 P965 N970 L971 V972 F1021P841-A968 HydrophobicContact CG-CB 3.95Å; W964-A968 HydrophobicContact CE3-CB 4.46Å; P965-A968 HydrophobicContact CG-CB 3.83Å; P965-A968 PolarHBondContact O-N 3.28Å; P965-A968 VanDerWaalsContact O-N 3.15Å; A968-N970 VanDerWaalsContact C-N 3.33Å; A968-N970 PolarHBondContact O-N 2.93Å; A968-L971 PolarHBondContact O-N 2.96Å; A968-V972 WeakPolarHBondContact O-CB 3.33Å; A968-V972 WeakPolarHBondContact O-CG2 3.32Å; A968-V972 PolarHBondContact O-N 3.02Å; A968-F1021 VanDerWaalsContact CA-CE1 3.41Å; A968-F1021 HydrophobicContact CB-CD1 3.53Å; A968-F1021 HydrophobicContact CB-CD2 4.49Å; A968-F1021 HydrophobicContact CB-CE1 3.41Å; A968-F1021 VanDerWaalsContact CB-CE1 3.41Å; A968-F1021 HydrophobicContact CB-CE2 4.39Å; A968-F1021 HydrophobicContact CB-CG 4.08Å; A968-F1021 HydrophobicContact CB-CZ 3.85Å
969R89.9Confident84.8Confident72 Ų7255.9 Ų55.927%0.27225%0.254SS..Hα-helixtrans-58.6-45.7171-174.7-170.869.6-125.3-12.4110.9C838 Y839 P965 D966 R973C838-R969 VanDerWaalsContact O-CD 3.32Å; C838-R969 WeakPolarHBondContact O-CD 3.41Å; C838-R969 WeakPolarHBondContact O-CG 3.45Å; Y839-R969 WeakPolarHBondContact O-CD 3.3Å; P965-R969 PolarHBondContact O-N 2.92Å; D966-R969 IonicContact OD1-CZ 2.71Å; D966-R969 IonicContact OD1-NH1 2.73Å; D966-R969 PolarHBondContact OD1-NH1 3.08Å; D966-R969 IonicContact OD1-NH2 3.57Å; D966-R969 PolarHBondContact OD1-NH2 3.27Å; R969-R973 WeakPolarHBondContact O-CB 3.48Å; R969-R973 PolarHBondContact O-N 3.28Å
970N86.7Confident82.9Confident59 Ų5956.9 Ų56.932%0.31626%0.259SS..Hα-helixtrans-66.4-38.4-179.8-80.8-47.7000113D966 D967 A968 R973 K974D966-N970 WeakPolarHBondContact O-CB 3.49Å; D966-N970 VanDerWaalsContact O-CG 3.24Å; D966-N970 PolarHBondContact O-N 2.89Å; D966-N970 PolarHBondContact O-ND2 3.47Å; D967-N970 PolarHBondContact O-N 3.21Å; A968-N970 VanDerWaalsContact C-N 3.33Å; A968-N970 PolarHBondContact O-N 2.93Å; N970-R973 PolarHBondContact O-N 3.49Å; N970-R973 PolarHBondContact OD1-NH2 2.89Å; N970-K974 VanDerWaalsContact O-CB 3.24Å; N970-K974 WeakPolarHBondContact O-CB 3.47Å; N970-K974 PolarHBondContact O-N 3.18Å
971L87.1Confident80.8Confident32 Ų3265 Ų6517%0.16830%0.296CS..Hα-helixtrans-72.4-46.3178.7-166.6156.7000110D967 A968 R973 K974 D975 F1016 F1021D967-L971 WeakPolarHBondContact O-CB 3.43Å; D967-L971 PolarHBondContact O-N 3.43Å; A968-L971 PolarHBondContact O-N 2.96Å; L971-R973 VanDerWaalsContact C-N 3.28Å; L971-R973 PolarHBondContact O-N 3.41Å; L971-K974 PolarHBondContact O-N 3.35Å; L971-D975 HydrophobicContact CD2-CB 4.09Å; L971-D975 WeakPolarHBondContact O-CA 3.39Å; L971-D975 VanDerWaalsContact O-CB 3.26Å; L971-D975 WeakPolarHBondContact O-CB 3.43Å; L971-D975 PolarHBondContact O-N 3.3Å; L971-F1016 HydrophobicContact CD2-CE1 3.86Å; L971-F1016 HydrophobicContact CD2-CZ 3.52Å; L971-F1021 HydrophobicContact CB-CZ 4.09Å; L971-F1021 HydrophobicContact CD2-CZ 3.85Å; L971-F1021 HydrophobicContact CG-CZ 4.36Å
972V90.6Very high78.9Confident0 Ų069.4 Ų69.40%032%0.32CS..Iπ-helixtrans-56.9-42.9171.2169.70000111.3P841 A968 F976 F977 L1013 F1016 V1017 F1021P841-V972 HydrophobicContact CB-CG2 4.03Å; P841-V972 HydrophobicContact CG-CG2 3.95Å; A968-V972 WeakPolarHBondContact O-CB 3.33Å; A968-V972 WeakPolarHBondContact O-CG2 3.32Å; A968-V972 PolarHBondContact O-N 3.02Å; V972-F976 HydrophobicContact CG1-CB 4.44Å; V972-F976 WeakPolarHBondContact O-CB 3.4Å; V972-F976 PolarHBondContact O-N 3.1Å; V972-F976 VanDerWaalsContact O-N 3.09Å; V972-F977 HydrophobicContact CG1-CD2 3.88Å; V972-F977 HydrophobicContact CG1-CE2 3.47Å; V972-F977 VanDerWaalsContact CG1-CE2 3.47Å; V972-F977 HydrophobicContact CG1-CZ 4.28Å; V972-F977 PolarHBondContact O-N 2.94Å; V972-L1013 HydrophobicContact CG1-CD1 3.84Å; V972-L1013 HydrophobicContact CG2-CD1 4.47Å; V972-F1016 HydrophobicContact CG2-CD1 4.24Å; V972-F1016 HydrophobicContact CG2-CE1 3.92Å; V972-V1017 HydrophobicContact CG2-CG2 3.96Å; V972-F1021 HydrophobicContact CG2-CE2 3.83Å; V972-F1021 HydrophobicContact CG2-CZ 4.26Å
973R89.2Confident77.2Confident105 Ų10573.9 Ų73.940%0.39634%0.34SS..Iπ-helixtrans-65.8-37177.3-175.2174.967.7147.5-1.5114.2R969 N970 L971 R978R969-R973 WeakPolarHBondContact O-CB 3.48Å; R969-R973 PolarHBondContact O-N 3.28Å; N970-R973 PolarHBondContact O-N 3.49Å; N970-R973 PolarHBondContact OD1-NH2 2.89Å; L971-R973 VanDerWaalsContact C-N 3.28Å; L971-R973 PolarHBondContact O-N 3.41Å; R973-R978 VanDerWaalsContact O-CD 3.28Å; R973-R978 WeakPolarHBondContact O-CD 3.27Å; R973-R978 WeakPolarHBondContact O-CG 3.3Å
974K85.1Confident75.7Confident149 Ų14976.9 Ų76.965%0.64834%0.343SS*.Iπ-helixtrans-87.3-45.2-178.2-174.1-166.4173.9-1670112.2N970 L971 R978N970-K974 VanDerWaalsContact O-CB 3.24Å; N970-K974 WeakPolarHBondContact O-CB 3.47Å; N970-K974 PolarHBondContact O-N 3.18Å; L971-K974 PolarHBondContact O-N 3.35Å; K974-R978 CarbonylContact O-C 3.43Å; K974-R978 WeakPolarHBondContact O-CB 3.43Å
975D85.4Confident74.4Confident43 Ų4380.4 Ų80.423%0.2336%0.364CS..Iπ-helixtrans-85.3-70.5-176.4-82.354.5000110.1L971 F977 R979 F1016L971-D975 HydrophobicContact CD2-CB 4.09Å; L971-D975 WeakPolarHBondContact O-CA 3.39Å; L971-D975 VanDerWaalsContact O-CB 3.26Å; L971-D975 WeakPolarHBondContact O-CB 3.43Å; L971-D975 PolarHBondContact O-N 3.3Å; D975-F977 PolarHBondContact O-N 3.08Å; D975-R979 VanDerWaalsContact O-CA 3.31Å; D975-R979 WeakPolarHBondContact O-CA 3.42Å; D975-R979 WeakPolarHBondContact O-CB 3.45Å; D975-R979 VanDerWaalsContact O-CD 3.24Å; D975-R979 WeakPolarHBondContact O-CD 3.41Å; D975-R979 WeakPolarHBondContact O-CG 3.4Å; D975-R979 PolarHBondContact O-N 3.26Å; D975-R979 IonicContact OD2-CZ 2.7Å; D975-R979 IonicContact OD2-NE 3.15Å; D975-R979 PolarHBondContact OD2-NE 3.46Å; D975-R979 IonicContact OD2-NH2 3.5Å; D975-R979 PolarHBondContact OD2-NH2 3.4Å; D975-F1016 HydrophobicContact CB-CE2 4.29Å; D975-F1016 HydrophobicContact CB-CZ 3.76Å
976F87.9Confident74.1Confident7 Ų779.9 Ų79.93%0.03136%0.358CS..Iπ-helixtrans-61.5-53.6-173.2-168.4-89.5000112.8V972 R986 F988 D1007 N1011 L1013 F1016V972-F976 HydrophobicContact CG1-CB 4.44Å; V972-F976 WeakPolarHBondContact O-CB 3.4Å; V972-F976 PolarHBondContact O-N 3.1Å; V972-F976 VanDerWaalsContact O-N 3.09Å; F976-R986 PolarHBondContact O-NH1 2.92Å; F976-F988 HydrophobicContact CD1-CE1 4.43Å; F976-F988 HydrophobicContact CE1-CD1 4.18Å; F976-F988 AromaticContact CE1-CE1 3.99Å; F976-F988 HydrophobicContact CE1-CE1 3.99Å; F976-D1007 HydrophobicContact CZ-CB 4.45Å; F976-N1011 HydrophobicContact CE2-CB 3.99Å; F976-N1011 HydrophobicContact CZ-CB 4.46Å; F976-N1011 WeakPolarHBondContact CZ-O 3.39Å; F976-L1013 HydrophobicContact CB-CD1 4.06Å; F976-L1013 HydrophobicContact CD1-CB 4.31Å; F976-L1013 HydrophobicContact CD1-CD1 3.79Å; F976-L1013 HydrophobicContact CD1-CD2 4.49Å; F976-L1013 HydrophobicContact CD1-CG 4.41Å; F976-L1013 HydrophobicContact CD2-CB 4.44Å; F976-L1013 HydrophobicContact CD2-CD1 3.99Å; F976-L1013 HydrophobicContact CE1-CB 3.86Å; F976-L1013 HydrophobicContact CE1-CD1 4.25Å; F976-L1013 HydrophobicContact CE1-CD2 4.49Å; F976-L1013 HydrophobicContact CE1-CG 4.42Å; F976-L1013 HydrophobicContact CE2-CB 4Å; F976-L1013 HydrophobicContact CE2-CD1 4.42Å; F976-L1013 HydrophobicContact CG-CD1 3.65Å; F976-L1013 HydrophobicContact CZ-CB 3.7Å; F976-F1016 HydrophobicContact CB-CD1 4.02Å; F976-F1016 HydrophobicContact CB-CE1 4Å; F976-F1016 HydrophobicContact CB-CG 4.33Å; F976-F1016 HydrophobicContact CB-CZ 4.27Å; F976-F1016 HydrophobicContact CD2-CB 3.83Å; F976-F1016 HydrophobicContact CD2-CD1 4.21Å; F976-F1016 HydrophobicContact CD2-CD2 4.08Å; F976-F1016 AromaticContact CD2-CG 3.77Å; F976-F1016 HydrophobicContact CD2-CG 3.77Å; F976-F1016 HydrophobicContact CE2-CB 4.26Å; F976-F1016 HydrophobicContact CG-CD1 4.47Å; F976-F1016 HydrophobicContact CG-CG 4.46Å
977F85.7Confident74.2Confident19 Ų1980 Ų808%0.08336%0.356CS..THydrogen-bonded Turntrans-77-30.4-174.6-65-54.5000114.3V835 C838 L844 V972 D975 R986 F988 L1013V835-F977 HydrophobicContact CB-CD1 4.49Å; V835-F977 HydrophobicContact CG2-CD1 3.98Å; V835-F977 HydrophobicContact CG2-CE1 3.74Å; V835-F977 HydrophobicContact CG2-CZ 4.26Å; C838-F977 HydrophobicContact CB-CD2 4.16Å; C838-F977 HydrophobicContact CB-CE2 4.01Å; L844-F977 HydrophobicContact CD1-CE1 4.27Å; L844-F977 HydrophobicContact CD1-CE2 4.35Å; L844-F977 HydrophobicContact CD1-CZ 3.6Å; L844-F977 HydrophobicContact CD2-CE2 3.63Å; L844-F977 HydrophobicContact CD2-CZ 3.73Å; L844-F977 HydrophobicContact CG-CZ 4.35Å; V972-F977 HydrophobicContact CG1-CD2 3.88Å; V972-F977 HydrophobicContact CG1-CE2 3.47Å; V972-F977 VanDerWaalsContact CG1-CE2 3.47Å; V972-F977 HydrophobicContact CG1-CZ 4.28Å; V972-F977 PolarHBondContact O-N 2.94Å; D975-F977 PolarHBondContact O-N 3.08Å; F977-R986 PolarHBondContact O-NH1 3.17Å; F977-R986 VanDerWaalsContact O-NH1 3.09Å; F977-F988 HydrophobicContact CD1-CD1 4.25Å; F977-F988 AromaticContact CD1-CE1 3.68Å; F977-F988 HydrophobicContact CD1-CE1 3.68Å; F977-F988 HydrophobicContact CD1-CE2 4.2Å; F977-F988 AromaticContact CD1-CZ 3.66Å; F977-F988 HydrophobicContact CD1-CZ 3.66Å; F977-F988 HydrophobicContact CE1-CD1 4.28Å; F977-F988 HydrophobicContact CE1-CE1 4.14Å; F977-F988 HydrophobicContact CE1-CZ 4.45Å; F977-L1013 HydrophobicContact CE1-CD2 4.28Å; F977-L1013 HydrophobicContact CZ-CD2 3.66Å
978R74.9Confident74.8Confident177 Ų17779.8 Ų79.867%0.66836%0.355SS*.THydrogen-bonded Turntrans-1138.6-172.2-69.4175.9178.7-164.2-1.7115.8R973 K974 T980R973-R978 VanDerWaalsContact O-CD 3.28Å; R973-R978 WeakPolarHBondContact O-CD 3.27Å; R973-R978 WeakPolarHBondContact O-CG 3.3Å; K974-R978 CarbonylContact O-C 3.43Å; K974-R978 WeakPolarHBondContact O-CB 3.43Å; R978-T980 PolarHBondContact O-N 3.07Å; R978-T980 VanDerWaalsContact O-N 3.14Å
979R55.3Low75.2Confident122 Ų12282.7 Ų82.746%0.4637%0.369SS..  trans-53.2-40.3-160.6-126.9157.8-161.6-1711.5118.1D975D975-R979 VanDerWaalsContact O-CA 3.31Å; D975-R979 WeakPolarHBondContact O-CA 3.42Å; D975-R979 WeakPolarHBondContact O-CB 3.45Å; D975-R979 VanDerWaalsContact O-CD 3.24Å; D975-R979 WeakPolarHBondContact O-CD 3.41Å; D975-R979 WeakPolarHBondContact O-CG 3.4Å; D975-R979 PolarHBondContact O-N 3.26Å; D975-R979 IonicContact OD2-CZ 2.7Å; D975-R979 IonicContact OD2-NE 3.15Å; D975-R979 PolarHBondContact OD2-NE 3.46Å; D975-R979 IonicContact OD2-NH2 3.5Å; D975-R979 PolarHBondContact OD2-NH2 3.4Å
980T46.6Very low75.5Confident51 Ų5179.3 Ų79.331%0.31336%0.356SS..SBendtrans-138.2131.1-156.332.40000115.6R978 N982R978-T980 PolarHBondContact O-N 3.07Å; R978-T980 VanDerWaalsContact O-N 3.14Å; T980-N982 PolarHBondContact O-N 2.81Å
981H42.8Very low76Confident171 Ų17179.9 Ų79.979%0.79236%0.361SS*.THydrogen-bonded Turntrans43.465.1150.9-58.4-68000119.4K983H981-K983 PolarHBondContact O-N 2.84Å
982N45.9Very low76.4Confident166 Ų16678.6 Ų78.689%0.88836%0.355SS*.THydrogen-bonded Turntrans55.46.1158.1-73-18000118.2T980 R984T980-N982 PolarHBondContact O-N 2.81Å; N982-R984 VanDerWaalsContact C-N 3.3Å; N982-R984 PolarHBondContact O-N 2.92Å
983K53.8Low76.6Confident108 Ų10881.7 Ų81.747%0.4737%0.369SS..  trans-64.287.4172.4-71.3-178.2179.6177.90109H981 N985 R986 E1009H981-K983 PolarHBondContact O-N 2.84Å; K983-N985 PolarHBondContact O-N 3.19Å; K983-N985 VanDerWaalsContact O-N 3.16Å; K983-R986 HydrophobicContact CB-CG 4.03Å; K983-E1009 IonicContact NZ-OE1 2.79Å; K983-E1009 PolarHBondContact NZ-OE1 2.88Å
984R56.7Low76.8Confident191 Ų19177.6 Ų77.672%0.72136%0.357SS*.SBendtrans-58-30.2-177-71.1-178.5175176.1-2.5112.2R857 N982R857-R984 VanDerWaalsContact CZ-O 3.26Å; R857-R984 PolarHBondContact NH2-O 2.86Å; N982-R984 VanDerWaalsContact C-N 3.3Å; N982-R984 PolarHBondContact O-N 2.92Å
985N62.2Low77.2Confident104 Ų10471.4 Ų71.456%0.55633%0.333SS*.  trans-113.788.7174.5-60.3-6.8000108.7R857 K983R857-N985 PolarHBondContact NE-OD1 2.89Å; R857-N985 PolarHBondContact NH2-OD1 2.88Å; K983-N985 PolarHBondContact O-N 3.19Å; K983-N985 VanDerWaalsContact O-N 3.16Å
986R77.9Confident77.5Confident18 Ų1870 Ų707%0.06833%0.326CS..  trans-87135.9158.8-61.2-174.978.2-152.16.4107.9L834 F976 F977 K983 F988 D1007L834-R986 WeakPolarHBondContact CD1-O 3.41Å; F976-R986 PolarHBondContact O-NH1 2.92Å; F977-R986 PolarHBondContact O-NH1 3.17Å; F977-R986 VanDerWaalsContact O-NH1 3.09Å; K983-R986 HydrophobicContact CB-CG 4.03Å; R986-F988 HydrophobicContact CB-CE2 4.02Å; R986-F988 HydrophobicContact CB-CZ 4.08Å; R986-D1007 IonicContact CZ-OD2 2.75Å; R986-D1007 VanDerWaalsContact NH2-CG 3.29Å; R986-D1007 IonicContact NH2-OD2 3.59Å; R986-D1007 PolarHBondContact NH2-OD2 2.99Å
987Q85.6Confident77.4Confident75 Ų7572.1 Ų72.135%0.3534%0.336SS..  trans-100.6161.7167.3-74.2-177-23.200109.8S849 D1008S849-Q987 VanDerWaalsContact CB-NE2 3.29Å; S849-Q987 PolarHBondContact OG-NE2 2.8Å; Q987-D1008 WeakPolarHBondContact CB-OD1 3.26Å; Q987-D1008 PolarHBondContact N-OD2 3.3Å; Q987-D1008 VanDerWaalsContact O-CG 3.3Å
988F93.7Very high77.5Confident7 Ų774.9 Ų74.93%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-134.8149.6176.1-59.7-87.5000107.7R832 F833 V835 F976 F977 R986 I1005 Y1006 D1007R832-F988 WeakPolarHBondContact CA-O 3.39Å; F833-F988 WeakPolarHBondContact CD1-O 3.3Å; F833-F988 HydrophobicContact CD2-CB 4.04Å; F833-F988 HydrophobicContact CE1-CB 4.45Å; F833-F988 HydrophobicContact CE2-CB 3.63Å; F833-F988 HydrophobicContact CZ-CB 3.87Å; F833-F988 PolarHBondContact N-O 2.85Å; F833-F988 PolarHBondContact O-N 2.87Å; V835-F988 HydrophobicContact CG2-CD2 3.85Å; V835-F988 HydrophobicContact CG2-CE2 4.22Å; V835-F988 HydrophobicContact CG2-CG 4.32Å; F976-F988 HydrophobicContact CD1-CE1 4.43Å; F976-F988 HydrophobicContact CE1-CD1 4.18Å; F976-F988 AromaticContact CE1-CE1 3.99Å; F976-F988 HydrophobicContact CE1-CE1 3.99Å; F977-F988 HydrophobicContact CD1-CD1 4.25Å; F977-F988 AromaticContact CD1-CE1 3.68Å; F977-F988 HydrophobicContact CD1-CE1 3.68Å; F977-F988 HydrophobicContact CD1-CE2 4.2Å; F977-F988 AromaticContact CD1-CZ 3.66Å; F977-F988 HydrophobicContact CD1-CZ 3.66Å; F977-F988 HydrophobicContact CE1-CD1 4.28Å; F977-F988 HydrophobicContact CE1-CE1 4.14Å; F977-F988 HydrophobicContact CE1-CZ 4.45Å; R986-F988 HydrophobicContact CB-CE2 4.02Å; R986-F988 HydrophobicContact CB-CZ 4.08Å; F988-I1005 HydrophobicContact CB-CG2 4.16Å; F988-Y1006 CarbonylContact C-O 3.56Å; F988-Y1006 VanDerWaalsContact CA-O 3.26Å; F988-Y1006 WeakPolarHBondContact CA-O 3.47Å; F988-D1007 HydrophobicContact CD1-CB 3.68Å; F988-D1007 HydrophobicContact CE1-CB 3.59Å
989H95.6Very high78.4Confident61 Ų6167 Ų6728%0.28232%0.317SS..EExtended strand (participates in β ladder)trans-134.9149.2-179.263.1-84.3000111.9L830 I831 R832 Y1006 D1007L830-H989 HydrophobicContact CD1-CB 4.29Å; I831-H989 WeakPolarHBondContact O-CA 3.35Å; I831-H989 WeakPolarHBondContact O-CB 3.3Å; R832-H989 HydrophobicContact CG-CB 4.41Å; H989-Y1006 PolarHBondContact N-O 3.31Å; H989-Y1006 PolarHBondContact O-N 2.66Å; H989-D1007 PolarHBondContact CE1-O 3.45Å
990A97.2Very high80.4Confident0 Ų061.1 Ų61.10%030%0.295CS..EExtended strand (participates in β ladder)trans-152.4159.2-179.200000110.5I831 F833 V1002 N1004 I1005I831-A990 HydrophobicContact CG1-CB 4.35Å; I831-A990 VanDerWaalsContact CG1-O 3.31Å; I831-A990 WeakPolarHBondContact CG1-O 3.47Å; I831-A990 PolarHBondContact N-O 3.13Å; I831-A990 PolarHBondContact O-N 2.93Å; F833-A990 HydrophobicContact CE1-CB 3.78Å; F833-A990 HydrophobicContact CZ-CB 4.33Å; A990-V1002 HydrophobicContact CB-CB 3.97Å; A990-V1002 HydrophobicContact CB-CG1 3.68Å; A990-V1002 HydrophobicContact CB-CG2 4.19Å; A990-N1004 VanDerWaalsContact CB-O 3.25Å; A990-N1004 WeakPolarHBondContact CB-O 3.17Å; A990-I1005 HydrophobicContact CB-CG1 4.39Å
991V96.9Very high82.7Confident72 Ų7258.8 Ų58.844%0.43628%0.28SS..EExtended strand (participates in β ladder)trans-104.3115.9174.1-177.30000109G829 L830 Q993G829-V991 WeakPolarHBondContact O-CA 3.48Å; L830-V991 HydrophobicContact CD1-CG2 4.03Å; V991-Q993 PolarHBondContact O-N 2.89Å; V991-Q993 PolarHBondContact O-NE2 2.87Å
992V96.7Very high85.3Confident5 Ų550.7 Ų50.73%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-63.8131176.6-179.30000109.6P826 G829 I831 I1000P826-V992 HydrophobicContact CB-CG2 4.37Å; P826-V992 HydrophobicContact CG-CG2 4.26Å; G829-V992 PolarHBondContact O-N 3.5Å; I831-V992 HydrophobicContact CD1-CG2 3.85Å; I831-V992 HydrophobicContact CG1-CG2 4Å; I831-V992 HydrophobicContact CG2-CG2 3.78Å; V992-I1000 HydrophobicContact CB-CG2 4.42Å; V992-I1000 HydrophobicContact CG1-CG2 3.99Å; V992-I1000 HydrophobicContact CG2-CG2 3.73Å
993Q94.6Very high87.6Confident65 Ų6550.6 Ų50.630%0.30423%0.23SC..EExtended strand (participates in β ladder)trans-96.5-45.3172.3-60.1-57.5-87.400111V991 F1001 R1003V991-Q993 PolarHBondContact O-N 2.89Å; V991-Q993 PolarHBondContact O-NE2 2.87Å; Q993-F1001 PolarHBondContact N-O 3.22Å; Q993-R1003 HydrophobicContact CG-CG 3.69Å
994S92.4Very high89.6Confident18 Ų1846 Ų4613%0.12621%0.21CC..EExtended strand (participates in β ladder)trans-155.3153.6-179.451.30000109.4F1001 Q1030S994-F1001 PolarHBondContact O-N 2.78Å; S994-Q1030 PolarHBondContact OG-NE2 3.31Å; S994-Q1030 PolarHBondContact OG-OE1 2.96Å
995A93.3Very high91.5Very high19 Ų1936.9 Ų36.916%0.15718%0.176CC..EExtended strand (participates in β ladder)trans-123.4123.4166.100000107.1T999A995-T999 WeakPolarHBondContact CA-O 3.37Å
996I91.3Very high93.1Very high14 Ų1435.9 Ų35.97%0.07217%0.165CC..EExtended strand (participates in β ladder)trans-132.3125.6-176.9-48.8174.7000106.6M814 R998 T999 F1001 L1033 M1036 V1037M814-I996 HydrophobicContact CE-CG2 3.93Å; M814-I996 HydrophobicContact SD-CG2 4.15Å; I996-R998 PolarHBondContact O-N 2.94Å; I996-T999 PolarHBondContact N-O 3.19Å; I996-T999 WeakPolarHBondContact O-CB 3.46Å; I996-T999 PolarHBondContact O-N 3.12Å; I996-T999 VanDerWaalsContact O-N 3.12Å; I996-F1001 HydrophobicContact CB-CE2 4.18Å; I996-F1001 HydrophobicContact CD1-CD2 4.44Å; I996-F1001 HydrophobicContact CD1-CE2 4.2Å; I996-F1001 HydrophobicContact CG1-CD2 4.41Å; I996-F1001 HydrophobicContact CG1-CE2 4.28Å; I996-L1033 HydrophobicContact CD1-CB 3.92Å; I996-M1036 HydrophobicContact CG2-CE 4.43Å; I996-V1037 HydrophobicContact CD1-CG2 4.2Å; I996-V1037 HydrophobicContact CG2-CG2 3.68Å
997H86.8Confident93.7Very high52 Ų5235.2 Ų35.224%0.24116%0.163CC..THydrogen-bonded Turntrans50.7-136.8-169.1-162.558.6000111.8M814 E818 V819 S821 P822 T999M814-H997 HydrophobicContact CE-CB 3.75Å; E818-H997 WeakPolarHBondContact CA-ND1 3.24Å; E818-H997 WeakPolarHBondContact O-CA 3.3Å; E818-H997 WeakPolarHBondContact O-CB 3.43Å; E818-H997 PolarHBondContact O-N 2.85Å; E818-H997 PolarHBondContact O-ND1 2.92Å; V819-H997 PolarHBondContact O-N 3.42Å; S821-H997 WeakPolarHBondContact CA-O 3.36Å; P822-H997 WeakPolarHBondContact CD-O 3.5Å; H997-T999 PolarHBondContact O-N 3.28Å
998R87.6Confident93.6Very high76 Ų7635.6 Ų35.629%0.28717%0.167SC..THydrogen-bonded Turntrans-83.215.9178.5-59.8172.4-174.7-1671.4113.4Y825 I996Y825-R998 VanDerWaalsContact CE1-C 3.44Å; Y825-R998 VanDerWaalsContact CE1-O 3.24Å; Y825-R998 WeakPolarHBondContact CE1-O 3.43Å; Y825-R998 PolarHBondContact OH-O 3.4Å; I996-R998 PolarHBondContact O-N 2.94Å
999T93.9Very high93.2Very high11 Ų1139.9 Ų39.97%0.06719%0.187CC..EExtended strand (participates in β ladder)trans-119.7132.9-172.5-46.10000112.3D949 R951 A995 I996 H997 F1001D949-T999 WeakPolarHBondContact O-CA 3.05Å; R951-T999 HydrophobicContact CB-CG2 4.39Å; R951-T999 HydrophobicContact CG-CG2 3.77Å; A995-T999 WeakPolarHBondContact CA-O 3.37Å; I996-T999 PolarHBondContact N-O 3.19Å; I996-T999 WeakPolarHBondContact O-CB 3.46Å; I996-T999 PolarHBondContact O-N 3.12Å; I996-T999 VanDerWaalsContact O-N 3.12Å; H997-T999 PolarHBondContact O-N 3.28Å; T999-F1001 HydrophobicContact CG2-CD2 4.28Å; T999-F1001 HydrophobicContact CG2-CE1 4.24Å; T999-F1001 HydrophobicContact CG2-CE2 3.71Å; T999-F1001 HydrophobicContact CG2-CZ 3.7Å
1000I96.2Very high92.7Very high0 Ų039.5 Ų39.50%020%0.2CC..EExtended strand (participates in β ladder)trans-104.2124.2173.7-57.7172.4000109.3Y825 P826 I831 M948 D949 L950 R951 V992 V1002Y825-I1000 HydrophobicContact CD1-CD1 3.87Å; Y825-I1000 HydrophobicContact CD1-CG1 3.56Å; Y825-I1000 HydrophobicContact CE1-CD1 4.22Å; Y825-I1000 HydrophobicContact CE1-CG1 3.93Å; P826-I1000 HydrophobicContact CG-CD1 3.99Å; I831-I1000 HydrophobicContact CD1-CG2 4.44Å; M948-I1000 HydrophobicContact CB-CD1 4.08Å; M948-I1000 HydrophobicContact CG-CD1 4.47Å; M948-I1000 HydrophobicContact SD-CD1 3.65Å; D949-I1000 PolarHBondContact O-N 2.96Å; L950-I1000 WeakPolarHBondContact CA-O 3.46Å; L950-I1000 HydrophobicContact CD1-CB 4.35Å; L950-I1000 HydrophobicContact CD1-CG2 4.1Å; R951-I1000 PolarHBondContact N-O 2.89Å; V992-I1000 HydrophobicContact CB-CG2 4.42Å; V992-I1000 HydrophobicContact CG1-CG2 3.99Å; V992-I1000 HydrophobicContact CG2-CG2 3.73Å; I1000-V1002 HydrophobicContact CG2-CG1 4.33Å
1001F96.4Very high92.4Very high2 Ų243 Ų431%0.00922%0.219CC..EExtended strand (participates in β ladder)trans-101.3130.1177.7-66.3-87.4000111.5R951 L953 Q993 S994 I996 T999 L1033R951-F1001 HydrophobicContact CB-CD1 4.26Å; R951-F1001 HydrophobicContact CB-CE1 4.31Å; L953-F1001 HydrophobicContact CD1-CD1 4.13Å; Q993-F1001 PolarHBondContact N-O 3.22Å; S994-F1001 PolarHBondContact O-N 2.78Å; I996-F1001 HydrophobicContact CB-CE2 4.18Å; I996-F1001 HydrophobicContact CD1-CD2 4.44Å; I996-F1001 HydrophobicContact CD1-CE2 4.2Å; I996-F1001 HydrophobicContact CG1-CD2 4.41Å; I996-F1001 HydrophobicContact CG1-CE2 4.28Å; T999-F1001 HydrophobicContact CG2-CD2 4.28Å; T999-F1001 HydrophobicContact CG2-CE1 4.24Å; T999-F1001 HydrophobicContact CG2-CE2 3.71Å; T999-F1001 HydrophobicContact CG2-CZ 3.7Å; F1001-L1033 HydrophobicContact CD1-CD1 4Å; F1001-L1033 HydrophobicContact CE1-CD1 3.66Å; F1001-L1033 HydrophobicContact CE2-CD1 4.24Å; F1001-L1033 HydrophobicContact CG-CD1 4.41Å; F1001-L1033 HydrophobicContact CZ-CD1 3.79Å; F1001-L1033 HydrophobicContact CZ-CD2 4.15Å
1002V97Very high92.2Very high0 Ų041.7 Ų41.70%021%0.21CC..EExtended strand (participates in β ladder)trans-128.4151.5178.5-600000110.4L950 R951 I952 L953 A990 I1000 N1004 I1005L950-V1002 HydrophobicContact CD1-CG1 4Å; L950-V1002 HydrophobicContact CD2-CG2 4.07Å; L950-V1002 HydrophobicContact CG-CG1 4.37Å; L950-V1002 HydrophobicContact CG-CG2 4.36Å; R951-V1002 WeakPolarHBondContact O-CG2 3.41Å; R951-V1002 PolarHBondContact O-N 3.13Å; I952-V1002 WeakPolarHBondContact CA-O 3.48Å; I952-V1002 HydrophobicContact CG1-CG2 4.42Å; L953-V1002 WeakPolarHBondContact CB-O 3.38Å; L953-V1002 PolarHBondContact N-O 3.46Å; A990-V1002 HydrophobicContact CB-CB 3.97Å; A990-V1002 HydrophobicContact CB-CG1 3.68Å; A990-V1002 HydrophobicContact CB-CG2 4.19Å; I1000-V1002 HydrophobicContact CG2-CG1 4.33Å; V1002-N1004 VanDerWaalsContact C-N 3.34Å; V1002-N1004 WeakPolarHBondContact CG2-O 3.29Å; V1002-I1005 HydrophobicContact CG2-CG1 3.99Å
1003R94.6Very high92Very high165 Ų16541.5 Ų41.562%0.62321%0.208SC*.SBendtrans-71.2-32.1172.3-64.5-166.5-170.6-158.1-0.4112.5Q993Q993-R1003 HydrophobicContact CG-CG 3.69Å
1004N95.9Very high92Very high10 Ų1039.4 Ų39.45%0.05320%0.199CC..  trans-162.3168.1-172.7-155.2-5.9000111.2A990 V1002 Y1006 D1012 L1014A990-N1004 VanDerWaalsContact CB-O 3.25Å; A990-N1004 WeakPolarHBondContact CB-O 3.17Å; V1002-N1004 VanDerWaalsContact C-N 3.34Å; V1002-N1004 WeakPolarHBondContact CG2-O 3.29Å; N1004-Y1006 HydrophobicContact CB-CE2 4Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.3Å; N1004-Y1006 PolarHBondContact ND2-OH 3.14Å; N1004-D1012 PolarHBondContact ND2-OD1 2.85Å; N1004-D1012 PolarHBondContact ND2-OD2 2.84Å; N1004-D1012 PolarHBondContact OD1-OD1 2.87Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.1Å; N1004-L1014 HydrophobicContact CB-CB 4.48Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.16Å; N1004-L1014 PolarHBondContact OD1-N 3.22Å
1005I96.4Very high92Very high1 Ų141 Ų411%0.00521%0.21CC..  trans-130132.4174.2-59.6176.5000108.5F833 L844 L950 I952 F988 A990 V1002 L1013F833-I1005 HydrophobicContact CE2-CG2 4.29Å; F833-I1005 HydrophobicContact CZ-CD1 4.21Å; F833-I1005 HydrophobicContact CZ-CG1 4.2Å; F833-I1005 HydrophobicContact CZ-CG2 3.71Å; L844-I1005 HydrophobicContact CD1-CD1 3.47Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.47Å; L950-I1005 HydrophobicContact CD2-CD1 3.31Å; L950-I1005 HydrophobicContact CD2-CG1 3.98Å; I952-I1005 HydrophobicContact CD1-CD1 4.33Å; I952-I1005 HydrophobicContact CD1-CG1 4.38Å; I952-I1005 HydrophobicContact CG1-CD1 4.21Å; I952-I1005 HydrophobicContact CG1-CG1 4.31Å; F988-I1005 HydrophobicContact CB-CG2 4.16Å; A990-I1005 HydrophobicContact CB-CG1 4.39Å; V1002-I1005 HydrophobicContact CG2-CG1 3.99Å; I1005-L1013 HydrophobicContact CB-CB 4.12Å; I1005-L1013 HydrophobicContact CB-CD2 4.14Å; I1005-L1013 HydrophobicContact CD1-CD2 4.07Å; I1005-L1013 WeakPolarHBondContact O-CB 3.29Å; I1005-L1013 PolarHBondContact O-N 2.9Å
1006Y95.2Very high91.9Very high83 Ų8340.6 Ų40.633%0.32521%0.205SC..EExtended strand (participates in β ladder)trans-117.9151.9178-53.9-79.2000110.8F988 H989 N1004 N1011 D1012F988-Y1006 CarbonylContact C-O 3.56Å; F988-Y1006 VanDerWaalsContact CA-O 3.26Å; F988-Y1006 WeakPolarHBondContact CA-O 3.47Å; H989-Y1006 PolarHBondContact N-O 3.31Å; H989-Y1006 PolarHBondContact O-N 2.66Å; N1004-Y1006 HydrophobicContact CB-CE2 4Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.3Å; N1004-Y1006 PolarHBondContact ND2-OH 3.14Å; Y1006-N1011 VanDerWaalsContact CA-O 3.3Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.42Å; Y1006-D1012 HydrophobicContact CD1-CB 4.18Å; Y1006-D1012 HydrophobicContact CE1-CB 4.02Å
1007D90Very high91.9Very high4 Ų440 Ų402%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-98.2173170.671.419.5000113F976 R986 F988 H989 E1009 G1010 N1011F976-D1007 HydrophobicContact CZ-CB 4.45Å; R986-D1007 IonicContact CZ-OD2 2.75Å; R986-D1007 VanDerWaalsContact NH2-CG 3.29Å; R986-D1007 IonicContact NH2-OD2 3.59Å; R986-D1007 PolarHBondContact NH2-OD2 2.99Å; F988-D1007 HydrophobicContact CD1-CB 3.68Å; F988-D1007 HydrophobicContact CE1-CB 3.59Å; H989-D1007 PolarHBondContact CE1-O 3.45Å; D1007-E1009 PolarHBondContact O-N 3.4Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.42Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.45Å; D1007-E1009 PolarHBondContact OD1-N 2.89Å; D1007-G1010 PolarHBondContact O-N 3.43Å; D1007-G1010 PolarHBondContact OD1-N 3.37Å; D1007-N1011 PolarHBondContact N-O 2.82Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.44Å; D1007-N1011 PolarHBondContact OD1-N 2.87Å; D1007-N1011 PolarHBondContact OD1-ND2 2.94Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.49Å; D1007-N1011 PolarHBondContact OD2-ND2 3.26Å; D1007-N1011 VanDerWaalsContact OD2-ND2 3.14Å
1008D84.6Confident92.1Very high83 Ų8340.9 Ų40.944%0.44421%0.208SC..THydrogen-bonded Turntrans-57.7-13.7178.6-55.7-42.8000114.6Q987Q987-D1008 WeakPolarHBondContact CB-OD1 3.26Å; Q987-D1008 PolarHBondContact N-OD2 3.3Å; Q987-D1008 VanDerWaalsContact O-CG 3.3Å
1009E84.4Confident92Very high96 Ų9643.2 Ų43.245%0.44923%0.226SC..THydrogen-bonded Turntrans-105.25.4-179.9-72.6160.7-157.800111.7K983 D1007 N1011K983-E1009 IonicContact NZ-OE1 2.79Å; K983-E1009 PolarHBondContact NZ-OE1 2.88Å; D1007-E1009 PolarHBondContact O-N 3.4Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.42Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.45Å; D1007-E1009 PolarHBondContact OD1-N 2.89Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.37Å
1010G85.6Confident91.5Very high54 Ų5448 Ų4856%0.55724%0.242SC*.  trans80.18.5178.600000114.6D1007D1007-G1010 PolarHBondContact O-N 3.43Å; D1007-G1010 PolarHBondContact OD1-N 3.37Å
1011N89.9Confident91Very high74 Ų7449 Ų4940%0.39625%0.247SC..  trans-71.9137.2179.3-56.6-90.1000110.7F976 Y1006 D1007 E1009F976-N1011 HydrophobicContact CE2-CB 3.99Å; F976-N1011 HydrophobicContact CZ-CB 4.46Å; F976-N1011 WeakPolarHBondContact CZ-O 3.39Å; Y1006-N1011 VanDerWaalsContact CA-O 3.3Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.42Å; D1007-N1011 PolarHBondContact N-O 2.82Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.44Å; D1007-N1011 PolarHBondContact OD1-N 2.87Å; D1007-N1011 PolarHBondContact OD1-ND2 2.94Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.49Å; D1007-N1011 PolarHBondContact OD2-ND2 3.26Å; D1007-N1011 VanDerWaalsContact OD2-ND2 3.14Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.37Å
1012D92.9Very high90.2Very high44 Ų4453.5 Ų53.524%0.23526%0.264CS..BIsolated β-bridgetrans-94.6123.8-175.3172.3-15.4000111.4N1004 Y1006 L1014 S1015 F1016N1004-D1012 PolarHBondContact ND2-OD1 2.85Å; N1004-D1012 PolarHBondContact ND2-OD2 2.84Å; N1004-D1012 PolarHBondContact OD1-OD1 2.87Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.1Å; Y1006-D1012 HydrophobicContact CD1-CB 4.18Å; Y1006-D1012 HydrophobicContact CE1-CB 4.02Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.5Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.48Å; D1012-L1014 PolarHBondContact OD1-N 3.13Å; D1012-S1015 VanDerWaalsContact CG-OG 3.26Å; D1012-S1015 PolarHBondContact OD1-N 2.95Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.32Å; D1012-S1015 PolarHBondContact OD2-OG 2.83Å; D1012-F1016 WeakPolarHBondContact O-CB 3.27Å; D1012-F1016 PolarHBondContact O-N 3.22Å
1013L93.9Very high89.8Confident1 Ų154.3 Ų54.31%0.00527%0.27CS..Hα-helixtrans-75.5-41.2178-179.456.7000113.5I952 V972 F976 F977 I1005 F1016 V1017I952-L1013 HydrophobicContact CD1-CD2 4.01Å; I952-L1013 HydrophobicContact CD1-CG 4.15Å; V972-L1013 HydrophobicContact CG1-CD1 3.84Å; V972-L1013 HydrophobicContact CG2-CD1 4.47Å; F976-L1013 HydrophobicContact CB-CD1 4.06Å; F976-L1013 HydrophobicContact CD1-CB 4.31Å; F976-L1013 HydrophobicContact CD1-CD1 3.79Å; F976-L1013 HydrophobicContact CD1-CD2 4.49Å; F976-L1013 HydrophobicContact CD1-CG 4.41Å; F976-L1013 HydrophobicContact CD2-CB 4.44Å; F976-L1013 HydrophobicContact CD2-CD1 3.99Å; F976-L1013 HydrophobicContact CE1-CB 3.86Å; F976-L1013 HydrophobicContact CE1-CD1 4.25Å; F976-L1013 HydrophobicContact CE1-CD2 4.49Å; F976-L1013 HydrophobicContact CE1-CG 4.42Å; F976-L1013 HydrophobicContact CE2-CB 4Å; F976-L1013 HydrophobicContact CE2-CD1 4.42Å; F976-L1013 HydrophobicContact CG-CD1 3.65Å; F976-L1013 HydrophobicContact CZ-CB 3.7Å; F977-L1013 HydrophobicContact CE1-CD2 4.28Å; F977-L1013 HydrophobicContact CZ-CD2 3.66Å; I1005-L1013 HydrophobicContact CB-CB 4.12Å; I1005-L1013 HydrophobicContact CB-CD2 4.14Å; I1005-L1013 HydrophobicContact CD1-CD2 4.07Å; I1005-L1013 WeakPolarHBondContact O-CB 3.29Å; I1005-L1013 PolarHBondContact O-N 2.9Å; L1013-F1016 HydrophobicContact CD1-CD1 4.13Å; L1013-F1016 WeakPolarHBondContact O-CB 3.2Å; L1013-F1016 PolarHBondContact O-N 2.97Å; L1013-F1016 VanDerWaalsContact O-N 3.16Å; L1013-V1017 HydrophobicContact CD1-CG2 3.87Å; L1013-V1017 HydrophobicContact CG-CG2 4.36Å; L1013-V1017 WeakPolarHBondContact O-CB 3.41Å; L1013-V1017 VanDerWaalsContact O-CG2 3.27Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.45Å; L1013-V1017 PolarHBondContact O-N 3Å
1014L93.8Very high89.5Confident20 Ų2049.6 Ų49.611%0.10526%0.255CS..Hα-helixtrans-59.6-49.7178175.965.2000110.4I952 L955 N1004 D1012 F1016 V1017 I1018I952-L1014 HydrophobicContact CG2-CD1 4.21Å; L955-L1014 HydrophobicContact CD1-CD1 3.88Å; L955-L1014 HydrophobicContact CD2-CD1 3.89Å; L955-L1014 HydrophobicContact CG-CD1 4.3Å; N1004-L1014 HydrophobicContact CB-CB 4.48Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.16Å; N1004-L1014 PolarHBondContact OD1-N 3.22Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.5Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.48Å; D1012-L1014 PolarHBondContact OD1-N 3.13Å; L1014-F1016 VanDerWaalsContact C-N 3.33Å; L1014-F1016 PolarHBondContact O-N 3.18Å; L1014-V1017 PolarHBondContact O-N 3Å; L1014-I1018 HydrophobicContact CD1-CD1 3.64Å; L1014-I1018 HydrophobicContact CD1-CG1 4.21Å; L1014-I1018 HydrophobicContact CG-CD1 3.91Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.44Å; L1014-I1018 PolarHBondContact O-N 2.71Å
1015S92.4Very high89.3Confident51 Ų5152.7 Ų52.736%0.35727%0.268SS..Hα-helixtrans-65.7-33.9173.6-65.60000112D1012 V1017 N1019D1012-S1015 VanDerWaalsContact CG-OG 3.26Å; D1012-S1015 PolarHBondContact OD1-N 2.95Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.32Å; D1012-S1015 PolarHBondContact OD2-OG 2.83Å; S1015-V1017 VanDerWaalsContact C-N 3.29Å; S1015-V1017 PolarHBondContact O-N 3.42Å; S1015-N1019 WeakPolarHBondContact O-CB 3.43Å; S1015-N1019 PolarHBondContact O-N 3.37Å; S1015-N1019 PolarHBondContact O-ND2 3.28Å
1016F91.6Very high89.1Confident12 Ų1253.4 Ų53.45%0.05327%0.272CS..Hα-helixtrans-61.2-39.2173175.8-90.7000112.3L971 V972 D975 F976 D1012 L1013 L1014 R1020 F1021L971-F1016 HydrophobicContact CD2-CE1 3.86Å; L971-F1016 HydrophobicContact CD2-CZ 3.52Å; V972-F1016 HydrophobicContact CG2-CD1 4.24Å; V972-F1016 HydrophobicContact CG2-CE1 3.92Å; D975-F1016 HydrophobicContact CB-CE2 4.29Å; D975-F1016 HydrophobicContact CB-CZ 3.76Å; F976-F1016 HydrophobicContact CB-CD1 4.02Å; F976-F1016 HydrophobicContact CB-CE1 4Å; F976-F1016 HydrophobicContact CB-CG 4.33Å; F976-F1016 HydrophobicContact CB-CZ 4.27Å; F976-F1016 HydrophobicContact CD2-CB 3.83Å; F976-F1016 HydrophobicContact CD2-CD1 4.21Å; F976-F1016 HydrophobicContact CD2-CD2 4.08Å; F976-F1016 AromaticContact CD2-CG 3.77Å; F976-F1016 HydrophobicContact CD2-CG 3.77Å; F976-F1016 HydrophobicContact CE2-CB 4.26Å; F976-F1016 HydrophobicContact CG-CD1 4.47Å; F976-F1016 HydrophobicContact CG-CG 4.46Å; D1012-F1016 WeakPolarHBondContact O-CB 3.27Å; D1012-F1016 PolarHBondContact O-N 3.22Å; L1013-F1016 HydrophobicContact CD1-CD1 4.13Å; L1013-F1016 WeakPolarHBondContact O-CB 3.2Å; L1013-F1016 PolarHBondContact O-N 2.97Å; L1013-F1016 VanDerWaalsContact O-N 3.16Å; L1014-F1016 VanDerWaalsContact C-N 3.33Å; L1014-F1016 PolarHBondContact O-N 3.18Å; F1016-R1020 WeakPolarHBondContact O-CD 3.47Å; F1016-R1020 WeakPolarHBondContact O-CG 3.19Å; F1016-R1020 PolarHBondContact O-NH1 3.41Å; F1016-F1021 HydrophobicContact CE1-CE2 4.44Å
1017V91.8Very high88.8Confident0 Ų058 Ų580%030%0.297CS..Hα-helixtrans-76.9-53.7-178169.20000111.6P841 L955 W964 V972 L1013 L1014 S1015 N1019 R1020 F1021P841-V1017 HydrophobicContact CB-CG1 3.97Å; P841-V1017 HydrophobicContact CB-CG2 3.79Å; L955-V1017 HydrophobicContact CD1-CG1 4.36Å; L955-V1017 HydrophobicContact CD2-CG1 4.22Å; W964-V1017 HydrophobicContact CH2-CG1 3.69Å; W964-V1017 HydrophobicContact CZ3-CG1 4.03Å; V972-V1017 HydrophobicContact CG2-CG2 3.96Å; L1013-V1017 HydrophobicContact CD1-CG2 3.87Å; L1013-V1017 HydrophobicContact CG-CG2 4.36Å; L1013-V1017 WeakPolarHBondContact O-CB 3.41Å; L1013-V1017 VanDerWaalsContact O-CG2 3.27Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.45Å; L1013-V1017 PolarHBondContact O-N 3Å; L1014-V1017 PolarHBondContact O-N 3Å; S1015-V1017 VanDerWaalsContact C-N 3.29Å; S1015-V1017 PolarHBondContact O-N 3.42Å; V1017-N1019 VanDerWaalsContact C-N 3.27Å; V1017-N1019 PolarHBondContact O-N 3.16Å; V1017-R1020 PolarHBondContact O-N 2.7Å; V1017-F1021 HydrophobicContact CB-CD2 4.21Å; V1017-F1021 HydrophobicContact CG1-CD2 3.9Å; V1017-F1021 HydrophobicContact CG2-CD2 4.39Å; V1017-F1021 HydrophobicContact CG2-CE2 4.39Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.43Å; V1017-F1021 PolarHBondContact O-N 2.72Å
1018I89.3Confident88.9Confident72 Ų7261 Ų6137%0.36932%0.317SS..Hα-helixtrans-59.3-38.6-177.7-69.4174.8000111.3L955 L1014 R1020L955-I1018 HydrophobicContact CD1-CG1 4.43Å; L1014-I1018 HydrophobicContact CD1-CD1 3.64Å; L1014-I1018 HydrophobicContact CD1-CG1 4.21Å; L1014-I1018 HydrophobicContact CG-CD1 3.91Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.44Å; L1014-I1018 PolarHBondContact O-N 2.71Å; I1018-R1020 PolarHBondContact O-N 3.4Å
1019N86.6Confident89.4Confident125 Ų12557 Ų5767%0.66830%0.296SS*.THydrogen-bonded Turntrans-77.15.6178-69.3-65.4000114.5S1015 V1017S1015-N1019 WeakPolarHBondContact O-CB 3.43Å; S1015-N1019 PolarHBondContact O-N 3.37Å; S1015-N1019 PolarHBondContact O-ND2 3.28Å; V1017-N1019 VanDerWaalsContact C-N 3.27Å; V1017-N1019 PolarHBondContact O-N 3.16Å
1020R83.6Confident89.8Confident110 Ų11054.5 Ų54.542%0.41528%0.284SS..THydrogen-bonded Turntrans-136.1-25.5-176.7-72.3-179.117969.711.6115.1F1016 V1017 I1018F1016-R1020 WeakPolarHBondContact O-CD 3.47Å; F1016-R1020 WeakPolarHBondContact O-CG 3.19Å; F1016-R1020 PolarHBondContact O-NH1 3.41Å; V1017-R1020 PolarHBondContact O-N 2.7Å; I1018-R1020 PolarHBondContact O-N 3.4Å
1021F84.3Confident90.2Very high22 Ų2257.6 Ų57.610%0.09629%0.287CS..SBendtrans-128.4159.6-174.7-49.5-72.2000111.4N548 W964 A968 L971 V972 F1016 V1017 S1023N548-F1021 WeakPolarHBondContact ND2-CE1 3.47Å; W964-F1021 HydrophobicContact CZ3-CB 4.16Å; A968-F1021 VanDerWaalsContact CA-CE1 3.41Å; A968-F1021 HydrophobicContact CB-CD1 3.53Å; A968-F1021 HydrophobicContact CB-CD2 4.49Å; A968-F1021 HydrophobicContact CB-CE1 3.41Å; A968-F1021 VanDerWaalsContact CB-CE1 3.41Å; A968-F1021 HydrophobicContact CB-CE2 4.39Å; A968-F1021 HydrophobicContact CB-CG 4.08Å; A968-F1021 HydrophobicContact CB-CZ 3.85Å; L971-F1021 HydrophobicContact CB-CZ 4.09Å; L971-F1021 HydrophobicContact CD2-CZ 3.85Å; L971-F1021 HydrophobicContact CG-CZ 4.36Å; V972-F1021 HydrophobicContact CG2-CE2 3.83Å; V972-F1021 HydrophobicContact CG2-CZ 4.26Å; F1016-F1021 HydrophobicContact CE1-CE2 4.44Å; V1017-F1021 HydrophobicContact CB-CD2 4.21Å; V1017-F1021 HydrophobicContact CG1-CD2 3.9Å; V1017-F1021 HydrophobicContact CG2-CD2 4.39Å; V1017-F1021 HydrophobicContact CG2-CE2 4.39Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.43Å; V1017-F1021 PolarHBondContact O-N 2.72Å; F1021-S1023 PolarHBondContact O-N 3.34Å
1022R80.1Confident90.4Very high97 Ų9756.7 Ų56.737%0.36628%0.28SS..  trans-7896.8173.3-72.3-170.2-160.9-156.84.7110.1H578 P957 E958H578-R1022 PolarHBondContact CD2-NH1 3.44Å; H578-R1022 PolarHBondContact CE1-NH2 3.11Å; H578-R1022 VanDerWaalsContact NE2-CZ 3.32Å; H578-R1022 PolarHBondContact NE2-NH1 2.93Å; H578-R1022 PolarHBondContact NE2-NH2 3.02Å; P957-R1022 WeakPolarHBondContact CA-O 3.18Å; E958-R1022 HydrophobicContact CB-CB 4.14Å; E958-R1022 VanDerWaalsContact CD-CB 3.49Å; E958-R1022 HydrophobicContact CG-CB 4.04Å; E958-R1022 PolarHBondContact N-O 3.05Å; E958-R1022 VanDerWaalsContact N-O 3.11Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.37Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.09Å
1023S88.4Confident90.5Very high17 Ų1754.6 Ų54.612%0.11927%0.269CS..EExtended strand (participates in β ladder)trans-143.2140.8-17459.20000111.6Q956 W964 F1021Q956-S1023 CarbonylContact O-C 3.58Å; Q956-S1023 VanDerWaalsContact O-CA 3.26Å; Q956-S1023 WeakPolarHBondContact O-CA 3.38Å; Q956-S1023 WeakPolarHBondContact O-CB 3.08Å; W964-S1023 VanDerWaalsContact CH2-CB 3.48Å; F1021-S1023 PolarHBondContact O-N 3.34Å
1024H89.2Confident90.5Very high66 Ų6657.5 Ų57.531%0.30628%0.284SS..EExtended strand (participates in β ladder)trans-110.4140.9174.7175.567.1000109.3R767 Q956R767-H1024 WeakPolarHBondContact CD-NE2 3.23Å; R767-H1024 PolarHBondContact NE-CD2 3.07Å; R767-H1024 VanDerWaalsContact NE-CD2 3.31Å; R767-H1024 PolarHBondContact NE-NE2 2.73Å; Q956-H1024 HydrophobicContact CG-CB 4.38Å; Q956-H1024 PolarHBondContact N-O 2.81Å; Q956-H1024 PolarHBondContact O-N 2.86Å
1025Q91.4Very high90.4Very high74 Ų7458.9 Ų58.935%0.34630%0.299SS..EExtended strand (participates in β ladder)trans-104116.3170.2-171.9166.817.200108.7E1027Q1025-E1027 PolarHBondContact O-N 3.14Å
1026D91.1Very high90.4Very high16 Ų1656.9 Ų56.99%0.08628%0.284CS..  trans-88.798.4179.6-170.1-29.2000109.3G954 Q956 C1028 C1029 K1032G954-D1026 PolarHBondContact O-N 2.73Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.28Å; D1026-C1028 PolarHBondContact O-N 3.32Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.46Å; D1026-C1028 PolarHBondContact OD1-N 2.81Å; D1026-C1029 HydrophobicContact CB-CB 4.35Å; D1026-C1029 WeakPolarHBondContact O-CB 3.47Å; D1026-C1029 PolarHBondContact O-N 3.14Å; D1026-C1029 PolarHBondContact OD1-N 3.32Å; D1026-K1032 IonicContact OD1-NZ 3.2Å; D1026-K1032 IonicContact OD2-NZ 3.65Å; D1026-K1032 PolarHBondContact OD2-NZ 3.44Å
1027E90.5Very high90.4Very high181 Ų18158 Ų5885%0.84629%0.292SS*.THydrogen-bonded Turntrans-59.1-27.8-179.2-61.9175.9154.800112.2Q1025 C1029Q1025-E1027 PolarHBondContact O-N 3.14Å; E1027-C1029 VanDerWaalsContact C-N 3.28Å; E1027-C1029 PolarHBondContact O-N 2.91Å
1028C91.2Very high90.4Very high66 Ų6665.4 Ų65.445%0.44633%0.328SS..THydrogen-bonded Turntrans-82.1-0.9178.3-60.80000113.5D1026 Q1030 L1031 K1032D1026-C1028 PolarHBondContact O-N 3.32Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.46Å; D1026-C1028 PolarHBondContact OD1-N 2.81Å; C1028-Q1030 VanDerWaalsContact C-N 3.29Å; C1028-Q1030 PolarHBondContact O-N 2.89Å; C1028-L1031 PolarHBondContact O-N 3.34Å; C1028-L1031 VanDerWaalsContact O-N 3.12Å; C1028-K1032 WeakPolarHBondContact O-CG 3.46Å; C1028-K1032 PolarHBondContact O-N 2.81Å; C1028-K1032 VanDerWaalsContact O-N 3.11Å
1029C94.4Very high90.3Very high0 Ų064.9 Ų64.90%033%0.33CS..Hα-helixtrans-57.4-35.5-174.8-174.30000114L953 G954 D1026 E1027 L1033L953-C1029 HydrophobicContact CD1-CB 4.09Å; L953-C1029 HydrophobicContact CG-CB 4.36Å; G954-C1029 VanDerWaalsContact CA-CB 3.46Å; G954-C1029 PolarHBondContact N-SG 3.2Å; G954-C1029 VanDerWaalsContact N-SG 3.42Å; D1026-C1029 HydrophobicContact CB-CB 4.35Å; D1026-C1029 WeakPolarHBondContact O-CB 3.47Å; D1026-C1029 PolarHBondContact O-N 3.14Å; D1026-C1029 PolarHBondContact OD1-N 3.32Å; E1027-C1029 VanDerWaalsContact C-N 3.28Å; E1027-C1029 PolarHBondContact O-N 2.91Å; C1029-L1033 WeakPolarHBondContact O-CG 3.48Å; C1029-L1033 PolarHBondContact O-N 3.11Å; C1029-L1033 VanDerWaalsContact O-N 3.13Å
1030Q93.9Very high90.5Very high42 Ų4260 Ų6020%0.19631%0.306CS..Hα-helixtrans-67-47.5176.4-170.260.264.200110.7L953 S994 C1028 K1032 L1033 D1034L953-Q1030 HydrophobicContact CD1-CB 4.42Å; L953-Q1030 HydrophobicContact CD2-CB 4.14Å; S994-Q1030 PolarHBondContact OG-NE2 3.31Å; S994-Q1030 PolarHBondContact OG-OE1 2.96Å; C1028-Q1030 VanDerWaalsContact C-N 3.29Å; C1028-Q1030 PolarHBondContact O-N 2.89Å; Q1030-K1032 PolarHBondContact O-N 3.41Å; Q1030-L1033 CarbonylContact O-C 3.47Å; Q1030-L1033 PolarHBondContact O-N 3.11Å; Q1030-D1034 PolarHBondContact NE2-OD1 3.19Å; Q1030-D1034 PolarHBondContact O-N 3.29Å
1031L94.4Very high90.6Very high119 Ų11959.3 Ų59.362%0.62331%0.306SS*.Hα-helixtrans-58.1-35.8178.7-59.1174.9000112.4C1028 A1035C1028-L1031 PolarHBondContact O-N 3.34Å; C1028-L1031 VanDerWaalsContact O-N 3.12Å; L1031-A1035 VanDerWaalsContact O-CB 3.28Å; L1031-A1035 WeakPolarHBondContact O-CB 3.42Å; L1031-A1035 PolarHBondContact O-N 2.94Å
1032K94.3Very high90.6Very high55 Ų5563 Ų6324%0.23933%0.327CS..Hα-helixtrans-68.4-42.5174.6-64.1174.1-179.6-1780112.3F800 D802 D1026 C1028 Q1030 A1035 M1036F800-K1032 WeakPolarHBondContact O-CB 3.38Å; F800-K1032 WeakPolarHBondContact O-CD 3.35Å; D802-K1032 HydrophobicContact CB-CD 4.4Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.42Å; D802-K1032 IonicContact OD2-NZ 2.93Å; D802-K1032 PolarHBondContact OD2-NZ 2.68Å; D1026-K1032 IonicContact OD1-NZ 3.2Å; D1026-K1032 IonicContact OD2-NZ 3.65Å; D1026-K1032 PolarHBondContact OD2-NZ 3.44Å; C1028-K1032 WeakPolarHBondContact O-CG 3.46Å; C1028-K1032 PolarHBondContact O-N 2.81Å; C1028-K1032 VanDerWaalsContact O-N 3.11Å; Q1030-K1032 PolarHBondContact O-N 3.41Å; K1032-A1035 PolarHBondContact O-N 3.22Å; K1032-M1036 WeakPolarHBondContact O-CB 3.22Å; K1032-M1036 PolarHBondContact O-N 3.26Å
1033L94.2Very high90.5Very high1 Ų159.5 Ų59.51%0.00532%0.317CS..Hα-helixtrans-67.1-38.5175.7-70.6167.2000111.7L953 I996 F1001 C1029 Q1030 M1036 V1037L953-L1033 HydrophobicContact CD1-CD1 3.83Å; I996-L1033 HydrophobicContact CD1-CB 3.92Å; F1001-L1033 HydrophobicContact CD1-CD1 4Å; F1001-L1033 HydrophobicContact CE1-CD1 3.66Å; F1001-L1033 HydrophobicContact CE2-CD1 4.24Å; F1001-L1033 HydrophobicContact CG-CD1 4.41Å; F1001-L1033 HydrophobicContact CZ-CD1 3.79Å; F1001-L1033 HydrophobicContact CZ-CD2 4.15Å; C1029-L1033 WeakPolarHBondContact O-CG 3.48Å; C1029-L1033 PolarHBondContact O-N 3.11Å; C1029-L1033 VanDerWaalsContact O-N 3.13Å; Q1030-L1033 CarbonylContact O-C 3.47Å; Q1030-L1033 PolarHBondContact O-N 3.11Å; L1033-M1036 HydrophobicContact CD2-CE 3.79Å; L1033-M1036 WeakPolarHBondContact O-CB 3.42Å; L1033-M1036 PolarHBondContact O-N 3.26Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.38Å; L1033-V1037 PolarHBondContact O-N 3.05Å
1034D93.5Very high89.5Confident62 Ų6262.3 Ų62.333%0.33234%0.335SS..Hα-helixtrans-65.3-43.7174.9-58.9-25000110.7Q1030 V1037 M1038Q1030-D1034 PolarHBondContact NE2-OD1 3.19Å; Q1030-D1034 PolarHBondContact O-N 3.29Å; D1034-V1037 PolarHBondContact O-N 3.26Å; D1034-M1038 WeakPolarHBondContact O-CG 3.12Å; D1034-M1038 PolarHBondContact O-N 3.04Å
1035A92.4Very high88.3Confident49 Ų4966.3 Ų66.341%0.40535%0.348SS..Hα-helixtrans-62.1-42.9173.900000112.3L1031 K1032 V1037 M1038 S1039L1031-A1035 VanDerWaalsContact O-CB 3.28Å; L1031-A1035 WeakPolarHBondContact O-CB 3.42Å; L1031-A1035 PolarHBondContact O-N 2.94Å; K1032-A1035 PolarHBondContact O-N 3.22Å; A1035-V1037 VanDerWaalsContact C-N 3.33Å; A1035-V1037 PolarHBondContact O-N 3.07Å; A1035-M1038 PolarHBondContact O-N 3.11Å; A1035-S1039 WeakPolarHBondContact O-CB 3.06Å; A1035-S1039 PolarHBondContact O-N 2.9Å; A1035-S1039 PolarHBondContact O-OG 2.97Å
1036M91.8Very high86Confident9 Ų972.4 Ų72.44%0.04438%0.38CS..Hα-helixtrans-56.5-46.5172.6176.5-165.564.900111M797 M814 I996 K1032 L1033 S1039 S1040M797-M1036 HydrophobicContact CG-CG 4.19Å; M797-M1036 HydrophobicContact CG-SD 3.6Å; M797-M1036 VanDerWaalsContact CG-SD 3.6Å; M797-M1036 HydrophobicContact SD-CB 4.19Å; M797-M1036 HydrophobicContact SD-CG 3.85Å; M797-M1036 HydrophobicContact SD-SD 3.73Å; M814-M1036 HydrophobicContact CB-CG 4.23Å; M814-M1036 HydrophobicContact CE-CE 4.48Å; M814-M1036 HydrophobicContact SD-CE 3.67Å; M814-M1036 HydrophobicContact SD-SD 4.25Å; I996-M1036 HydrophobicContact CG2-CE 4.43Å; K1032-M1036 WeakPolarHBondContact O-CB 3.22Å; K1032-M1036 PolarHBondContact O-N 3.26Å; L1033-M1036 HydrophobicContact CD2-CE 3.79Å; L1033-M1036 WeakPolarHBondContact O-CB 3.42Å; L1033-M1036 PolarHBondContact O-N 3.26Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.04Å; M1036-S1039 PolarHBondContact O-N 2.77Å; M1036-S1039 PolarHBondContact O-OG 2.94Å; M1036-S1040 PolarHBondContact O-N 2.99Å
1037V92.1Very high85.8Confident36 Ų3675.3 Ų75.322%0.21839%0.394CS..Hα-helixtrans-63.7-44.7177.4164.80000112.1M814 V819 I996 L1033 D1034 A1035 S1039 S1040M814-V1037 HydrophobicContact SD-CG2 4.36Å; V819-V1037 HydrophobicContact CG1-CG1 3.63Å; V819-V1037 HydrophobicContact CG1-CG2 4.36Å; V819-V1037 HydrophobicContact CG2-CG1 4.2Å; V819-V1037 HydrophobicContact CG2-CG2 4.49Å; I996-V1037 HydrophobicContact CD1-CG2 4.2Å; I996-V1037 HydrophobicContact CG2-CG2 3.68Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.38Å; L1033-V1037 PolarHBondContact O-N 3.05Å; D1034-V1037 PolarHBondContact O-N 3.26Å; A1035-V1037 VanDerWaalsContact C-N 3.33Å; A1035-V1037 PolarHBondContact O-N 3.07Å; V1037-S1039 VanDerWaalsContact C-N 3.25Å; V1037-S1039 PolarHBondContact O-N 2.74Å; V1037-S1040 VanDerWaalsContact O-CB 3.25Å; V1037-S1040 WeakPolarHBondContact O-CB 3.28Å; V1037-S1040 PolarHBondContact O-N 3.05Å; V1037-S1040 PolarHBondContact O-OG 3.4Å
1038M91Very high85.5Confident155 Ų15569.7 Ų69.776%0.76437%0.37SS*.Hα-helixtrans-64.4-29.3175.9-70.3-174.2-65.800112.8D1034 A1035 S1040D1034-M1038 WeakPolarHBondContact O-CG 3.12Å; D1034-M1038 PolarHBondContact O-N 3.04Å; A1035-M1038 PolarHBondContact O-N 3.11Å; M1038-S1040 VanDerWaalsContact C-N 3.26Å; M1038-S1040 PolarHBondContact O-N 3.36Å
1039S88.7Confident85.2Confident60 Ų6069.9 Ų69.942%0.4237%0.366SS..THydrogen-bonded Turntrans-814176.375.40000114.8A1035 M1036 V1037A1035-S1039 WeakPolarHBondContact O-CB 3.06Å; A1035-S1039 PolarHBondContact O-N 2.9Å; A1035-S1039 PolarHBondContact O-OG 2.97Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.04Å; M1036-S1039 PolarHBondContact O-N 2.77Å; M1036-S1039 PolarHBondContact O-OG 2.94Å; V1037-S1039 VanDerWaalsContact C-N 3.25Å; V1037-S1039 PolarHBondContact O-N 2.74Å
1040S89.3Confident84.7Confident23 Ų2374 Ų7416%0.16139%0.388CS..  trans-65.1136.7-173.958.20000113.7M814 M1036 V1037 M1038M814-S1040 VanDerWaalsContact O-CA 3.24Å; M814-S1040 WeakPolarHBondContact O-CA 3.37Å; M814-S1040 WeakPolarHBondContact O-CB 3.43Å; M1036-S1040 PolarHBondContact O-N 2.99Å; V1037-S1040 VanDerWaalsContact O-CB 3.25Å; V1037-S1040 WeakPolarHBondContact O-CB 3.28Å; V1037-S1040 PolarHBondContact O-N 3.05Å; V1037-S1040 PolarHBondContact O-OG 3.4Å; M1038-S1040 VanDerWaalsContact C-N 3.26Å; M1038-S1040 PolarHBondContact O-N 3.36Å
1041K87.1Confident84.1Confident96 Ų9676 Ų7642%0.41740%0.4SS..BIsolated β-bridgetrans-111.8161.7-176.6-55.5-168.4-170.8-173.80110.7E784 V813 M814 W815 R816E784-K1041 IonicContact OE1-NZ 3.03Å; E784-K1041 PolarHBondContact OE1-NZ 3.35Å; V813-K1041 HydrophobicContact CG1-CB 4.07Å; V813-K1041 HydrophobicContact CG1-CD 3.91Å; V813-K1041 HydrophobicContact CG1-CG 3.72Å; M814-K1041 PolarHBondContact O-N 3.31Å; W815-K1041 CarbonylContact C-O 3.56Å; W815-K1041 VanDerWaalsContact CA-O 3.24Å; W815-K1041 WeakPolarHBondContact CA-O 3.36Å; R816-K1041 PolarHBondContact N-O 3.46Å
1042D83.9Confident83.4Confident99 Ų9973.1 Ų73.153%0.52939%0.385SS..  trans-66.6151.5173-62.6-58.6000110.9R816R816-D1042 WeakPolarHBondContact CD-OD1 3.43Å; R816-D1042 IonicContact CZ-OD1 2.73Å; R816-D1042 IonicContact CZ-OD2 3.42Å; R816-D1042 IonicContact NE-OD1 2.66Å; R816-D1042 IonicContact NH1-OD1 3.2Å; R816-D1042 PolarHBondContact NH1-OD1 2.84Å; R816-D1042 IonicContact NH1-OD2 3.22Å; R816-D1042 PolarHBondContact NH1-OD2 2.85Å; R816-D1042 IonicContact NH2-OD2 2.73Å; R816-D1042 PolarHBondContact NH2-OD2 2.73Å
1043C77Confident82.6Confident23 Ų2374.4 Ų74.416%0.15540%0.395CS..  trans-76.5124.5173.5-1740000109W815 Y1045 M1046W815-C1043 HydrophobicContact CB-CB 4.46Å; W815-C1043 HydrophobicContact CD2-CB 4.2Å; W815-C1043 HydrophobicContact CG-CB 4.06Å; C1043-Y1045 PolarHBondContact O-N 2.95Å; C1043-Y1045 VanDerWaalsContact O-N 3.08Å; C1043-M1046 HydrophobicContact CB-CG 4.2Å; C1043-M1046 HydrophobicContact CB-SD 4.43Å
1044P68.3Low81.7Confident77 Ų7780.1 Ų80.150%0.543%0.425SS..THydrogen-bonded Turntrans-77.612.2-176.433.2-36.8000114.1T789T789-P1044 HydrophobicContact CG2-CG 3.88Å
1045Y63.2Low80.8Confident149 Ų14981.6 Ų81.658%0.58443%0.433SS*.THydrogen-bonded Turntrans-131.427.4-178.8-52.8-67000112.2T789 C1043T789-Y1045 PolarHBondContact OG1-OH 3.49Å; C1043-Y1045 PolarHBondContact O-N 2.95Å; C1043-Y1045 VanDerWaalsContact O-N 3.08Å
1046M44.4Very low79.7Confident203 Ų20384.5 Ų84.5100%144%0.436SS*.  trans-105.20167.9-79.4-172.2170.600110.6D817 C1043D817-M1046 HydrophobicContact CB-CE 4.06Å; C1043-M1046 HydrophobicContact CB-CG 4.2Å; C1043-M1046 HydrophobicContact CB-SD 4.43Å

Retrieved 1,046 of 1,046 residues in 422.2 ms (Link to these results)

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