A0A087XA57_POEFO Loading...

60S ribosomal protein L18a

Component of the large ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell.

AlphaFold DB (A0A3B3VTL1), UniProt , Accession A0A087XA57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 176 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
1M87.5Confident93.8Very high50 Ų5063.9 Ų63.925%0.24635%0.346CS..  0139.20166.5-169.8-84.600108.8F33 A34 V39 R43M1-F33 WeakPolarHBondContact CE-O 3.34Å; M1-A34 HydrophobicContact CE-CB 3.53Å; M1-V39 HydrophobicContact CB-CG1 4.23Å; M1-V39 HydrophobicContact CE-CG1 3.3Å; M1-V39 HydrophobicContact CG-CG1 3.88Å; M1-V39 HydrophobicContact SD-CG1 4.44Å; M1-R43 HydrophobicContact CE-CG 3.48Å; M1-R43 VanDerWaalsContact CE-CG 3.48Å
2K87.8Confident94.2Very high173 Ų17358.6 Ų58.675%0.75232%0.317SS*.  trans-96.1127.1163.8-175.4177-179.6178.40108.6S4 P35K2-S4 VanDerWaalsContact C-N 3.25Å; K2-S4 PolarHBondContact O-N 3.43Å; K2-P35 WeakPolarHBondContact O-CG 3.42Å
3A88.9Confident94.5Very high39 Ų3956.8 Ų56.832%0.32231%0.307SS..  trans-81.872.8175.200000109.8L7 Y110 A121A3-L7 HydrophobicContact CB-CD2 4.43Å; A3-Y110 HydrophobicContact CB-CD1 4.27Å; A3-Y110 HydrophobicContact CB-CG 4.21Å; A3-A121 HydrophobicContact CB-CB 3.81Å
4S87.8Confident94.8Very high69 Ų6952.8 Ų52.848%0.48329%0.285SS..  trans-81.4136.4179.8-165.40000111.1K2K2-S4 VanDerWaalsContact C-N 3.25Å; K2-S4 PolarHBondContact O-N 3.43Å
5G94.2Very high95Very high51 Ų5154.2 Ų54.253%0.52629%0.285SS..SBendtrans59.3-139.5176.100000113.3R111G5-R111 PolarHBondContact O-NH2 2.7Å
6T95.6Very high95.1Very high88 Ų8854.7 Ų54.754%0.5429%0.287SS..SBendtrans-98127.5173.1-57.30000108.8
7L97.3Very high95.2Very high3 Ų356.4 Ų56.42%0.01630%0.296CS..  trans-68.3159.2178.7-62.4175.6000110.5A3 F33 P35 S103 V106 T107 Y110A3-L7 HydrophobicContact CB-CD2 4.43Å; L7-F33 HydrophobicContact CD1-CB 4.33Å; L7-P35 HydrophobicContact CD2-CG 3.91Å; L7-S103 VanDerWaalsContact O-CB 3.3Å; L7-S103 WeakPolarHBondContact O-CB 3.3Å; L7-V106 HydrophobicContact CD1-CG1 4.06Å; L7-T107 WeakPolarHBondContact CB-OG1 3.38Å; L7-T107 PolarHBondContact N-OG1 3.46Å; L7-Y110 HydrophobicContact CD1-CD2 3.39Å; L7-Y110 HydrophobicContact CD1-CE2 3.59Å; L7-Y110 HydrophobicContact CD1-CG 4.34Å
8R97.8Very high95.3Very high132 Ų13256.8 Ų56.850%0.49830%0.303SS..EExtended strand (participates in β ladder)trans-121.6148.1174-55.8177.9-175.2-174.6-0.1109.1Y10 F33 A34 L66R8-Y10 HydrophobicContact CB-CD2 4.41Å; R8-Y10 HydrophobicContact CB-CE2 3.78Å; R8-F33 CarbonylContact O-C 3.59Å; R8-F33 WeakPolarHBondContact O-CA 3.35Å; R8-A34 PolarHBondContact N-O 3.02Å; R8-A34 PolarHBondContact O-N 2.78Å; R8-L66 HydrophobicContact CB-CD2 3.62Å; R8-L66 HydrophobicContact CG-CD2 4.27Å
9E98.3Very high95.3Very high14 Ų1457.1 Ų57.17%0.06531%0.31CS..EExtended strand (participates in β ladder)trans-87.9128.5175-172.5178159.200109.9R31 F33 V67E9-R31 VanDerWaalsContact CD-NH2 3.26Å; E9-R31 IonicContact OE1-CZ 2.78Å; E9-R31 IonicContact OE1-NE 3.2Å; E9-R31 PolarHBondContact OE1-NE 2.78Å; E9-R31 IonicContact OE1-NH2 2.63Å; E9-R31 PolarHBondContact OE1-NH2 3.19Å; E9-R31 IonicContact OE2-NH2 2.78Å; E9-R31 PolarHBondContact OE2-NH2 2.78Å; E9-F33 HydrophobicContact CB-CD1 4.06Å; E9-F33 HydrophobicContact CB-CE1 3.82Å; E9-F33 HydrophobicContact CG-CD1 4.25Å; E9-F33 HydrophobicContact CG-CE1 3.73Å; E9-F33 HydrophobicContact CG-CZ 4.23Å; E9-V67 HydrophobicContact CB-CB 4.23Å; E9-V67 HydrophobicContact CG-CB 3.95Å; E9-V67 HydrophobicContact CG-CG2 4.42Å; E9-V67 PolarHBondContact O-N 3.07Å
10Y98.5Very high95.3Very high9 Ų959.6 Ų59.64%0.03534%0.338CS..EExtended strand (participates in β ladder)trans-118.1133.2175.3-70.7-89.7000110.2R8 R31 I32 A34 N36 H37 A40 G65 L66R8-Y10 HydrophobicContact CB-CD2 4.41Å; R8-Y10 HydrophobicContact CB-CE2 3.78Å; Y10-R31 CarbonylContact O-C 3.53Å; Y10-R31 WeakPolarHBondContact O-CA 3.45Å; Y10-I32 PolarHBondContact N-O 3.49Å; Y10-I32 PolarHBondContact O-N 3.01Å; Y10-A34 HydrophobicContact CD2-CB 4.27Å; Y10-A34 HydrophobicContact CE2-CB 4.37Å; Y10-N36 WeakPolarHBondContact OH-CA 3.36Å; Y10-H37 HydrophobicContact CD1-CB 4.45Å; Y10-H37 HydrophobicContact CE1-CB 3.77Å; Y10-H37 PolarHBondContact OH-N 2.97Å; Y10-A40 HydrophobicContact CD1-CB 4.25Å; Y10-A40 HydrophobicContact CD2-CB 3.65Å; Y10-A40 HydrophobicContact CE2-CB 4.25Å; Y10-A40 HydrophobicContact CG-CB 3.65Å; Y10-G65 CarbonylContact C-O 3.57Å; Y10-G65 WeakPolarHBondContact CA-O 3.41Å; Y10-L66 HydrophobicContact CD1-CD2 4.24Å; Y10-L66 HydrophobicContact CD1-CG 4.18Å; Y10-L66 HydrophobicContact CE1-CD1 4.48Å; Y10-L66 HydrophobicContact CE1-CD2 3.7Å; Y10-L66 HydrophobicContact CE1-CG 3.62Å; Y10-L66 HydrophobicContact CE2-CD2 4.07Å
11K98.4Very high95.3Very high75 Ų7566.6 Ų66.633%0.32637%0.365SS..EExtended strand (participates in β ladder)trans-89.4111.1163.5177.3-178.964.8177.40107I13 R29 Y63 G65 V67K11-I13 HydrophobicContact CD-CD1 4.5Å; K11-I13 HydrophobicContact CG-CG1 4.37Å; K11-R29 HydrophobicContact CG-CG 4Å; K11-Y63 HydrophobicContact CB-CE1 4.38Å; K11-Y63 HydrophobicContact CD-CE1 4.43Å; K11-Y63 HydrophobicContact CG-CE1 4.43Å; K11-Y63 WeakPolarHBondContact O-CD1 3.38Å; K11-G65 PolarHBondContact N-O 3.24Å; K11-G65 PolarHBondContact O-N 3.14Å; K11-G65 VanDerWaalsContact O-N 3.1Å; K11-V67 HydrophobicContact CB-CG2 3.53Å
12V98.6Very high95.6Very high0 Ų067.4 Ų67.40%037%0.37CS..EExtended strand (participates in β ladder)trans-111.1128.5177.4-168.60000108.7R29 M30 I32 A40 F44 I61 Y63V12-R29 CarbonylContact O-C 3.55Å; V12-R29 WeakPolarHBondContact O-CA 3.44Å; V12-M30 PolarHBondContact N-O 3.24Å; V12-M30 PolarHBondContact O-N 3.49Å; V12-I32 HydrophobicContact CB-CG1 4.38Å; V12-I32 HydrophobicContact CG2-CB 4.24Å; V12-I32 HydrophobicContact CG2-CG1 3.91Å; V12-A40 HydrophobicContact CG2-CB 4.39Å; V12-F44 HydrophobicContact CB-CB 4.12Å; V12-F44 HydrophobicContact CB-CD2 3.85Å; V12-F44 HydrophobicContact CB-CG 4.08Å; V12-F44 HydrophobicContact CG1-CB 3.71Å; V12-F44 HydrophobicContact CG1-CD1 4.03Å; V12-F44 HydrophobicContact CG1-CD2 3.67Å; V12-F44 HydrophobicContact CG1-CE2 4.3Å; V12-F44 HydrophobicContact CG1-CG 3.51Å; V12-F44 HydrophobicContact CG2-CB 4.47Å; V12-I61 HydrophobicContact CG1-CD1 4.08Å; V12-I61 HydrophobicContact CG1-CG1 4.38Å; V12-I61 HydrophobicContact CG1-CG2 3.85Å; V12-Y63 CarbonylContact C-O 3.53Å; V12-Y63 WeakPolarHBondContact CA-O 3.27Å
13I98.6Very high95.9Very high36 Ų3663.8 Ų63.819%0.18537%0.365CS..EExtended strand (participates in β ladder)trans-121.7129178-53.1176.7000108K11 L27 Y28 R29 I61 V62 Y63K11-I13 HydrophobicContact CD-CD1 4.5Å; K11-I13 HydrophobicContact CG-CG1 4.37Å; I13-L27 HydrophobicContact CG2-CB 4.03Å; I13-L27 HydrophobicContact CG2-CD2 3.82Å; I13-L27 HydrophobicContact CG2-CG 4.44Å; I13-Y28 VanDerWaalsContact CA-O 3.26Å; I13-Y28 WeakPolarHBondContact CA-O 3.48Å; I13-R29 HydrophobicContact CG1-CB 4.14Å; I13-R29 HydrophobicContact CG1-CG 4.01Å; I13-I61 CarbonylContact O-C 3.6Å; I13-V62 PolarHBondContact O-N 3.2Å; I13-Y63 HydrophobicContact CD1-CD1 4.37Å; I13-Y63 HydrophobicContact CG1-CD1 4.49Å; I13-Y63 PolarHBondContact N-O 3.46Å; I13-Y63 PolarHBondContact O-N 3.38Å; I13-Y63 VanDerWaalsContact O-N 3.16Å
14G98.2Very high96.3Very high0 Ų065.8 Ų65.80%038%0.381CS..EExtended strand (participates in β ladder)trans-142.9163.6176.400000112.7Y28 E60G14-Y28 PolarHBondContact N-O 3.21Å; G14-Y28 PolarHBondContact O-N 3.17Å; G14-E60 CarbonylContact C-O 3.54Å; G14-E60 WeakPolarHBondContact CA-O 3.49Å
15R97.7Very high96.7Very high74 Ų7462.9 Ų62.928%0.27936%0.361SS..EExtended strand (participates in β ladder)trans-145.9170.1178.960.5177-173.4-178.62.3110.3P25 P26 L27 M54 G59 E60 V62R15-P25 HydrophobicContact CB-CG 4.49Å; R15-P26 WeakPolarHBondContact CB-O 3.32Å; R15-L27 HydrophobicContact CB-CD2 4.07Å; R15-L27 HydrophobicContact CG-CD2 4.16Å; R15-M54 VanDerWaalsContact C-CE 3.43Å; R15-G59 CarbonylContact O-C 3.56Å; R15-G59 WeakPolarHBondContact O-CA 3.06Å; R15-E60 HydrophobicContact CG-CG 4.02Å; R15-E60 IonicContact CZ-OE1 3.28Å; R15-E60 VanDerWaalsContact CZ-OE1 3.22Å; R15-E60 PolarHBondContact N-O 2.94Å; R15-E60 IonicContact NE-OE1 2.66Å; R15-E60 PolarHBondContact NE-OE1 3.09Å; R15-E60 IonicContact NH2-OE1 2.97Å; R15-E60 PolarHBondContact NH2-OE1 3.21Å; R15-E60 PolarHBondContact O-N 3.35Å; R15-V62 HydrophobicContact CG-CG2 3.77Å
16L97.4Very high96.8Very high62 Ų6263.8 Ų63.833%0.32536%0.357SS..EExtended strand (participates in β ladder)trans-69.9156.1165.5-75.3169.7000108.9P25 M54 S58L16-P25 HydrophobicContact CB-CB 3.98Å; L16-P25 HydrophobicContact CB-CG 4.33Å; L16-P25 WeakPolarHBondContact O-CG 3.44Å; L16-M54 HydrophobicContact CD2-CB 4.23Å; L16-M54 HydrophobicContact CD2-CE 4.47Å; L16-M54 HydrophobicContact CD2-CG 3.75Å; L16-M54 HydrophobicContact CG-CE 3.96Å; L16-M54 HydrophobicContact CG-CG 4.26Å; L16-S58 WeakPolarHBondContact CA-O 3.49Å; L16-S58 VanDerWaalsContact CD2-O 3.28Å; L16-S58 WeakPolarHBondContact CD2-O 3.43Å
17L96.3Very high96.9Very high83 Ų8364.6 Ų64.644%0.43536%0.358SS..PPolyproline II helixtrans-63.7135.7168.6-70.1170.2000109.1S58 E60L17-S58 PolarHBondContact N-O 2.95Å; L17-E60 HydrophobicContact CD2-CB 4.12Å; L17-E60 HydrophobicContact CD2-CG 4.1Å
18P96.6Very high97Very high65 Ų6567.5 Ų67.542%0.42237%0.369SS..PPolyproline II helixtrans-52.2140171.1-29.137.7000111.8P23 P25P18-P23 WeakPolarHBondContact CB-O 3.28Å; P18-P25 HydrophobicContact CG-CG 4.45Å
19S95.2Very high97Very high61 Ų6170.3 Ų70.343%0.42738%0.379SS..BIsolated β-bridgetrans-136.8163.6176.465.80000110.2K21 N22 P23S19-K21 PolarHBondContact O-N 2.86Å; S19-K21 VanDerWaalsContact O-N 3.14Å; S19-N22 PolarHBondContact N-O 3.3Å; S19-N22 CarbonylContact O-C 3.59Å; S19-N22 PolarHBondContact O-N 2.76Å; S19-N22 VanDerWaalsContact O-O 3.12Å; S19-N22 PolarHBondContact OG-N 2.78Å; S19-P23 VanDerWaalsContact O-N 3.16Å
20A95.8Very high97Very high107 Ų10771.1 Ų71.188%0.88438%0.384SS*.THydrogen-bonded Turntrans-55-33.9176.600000112.9
21K95Very high97Very high207 Ų20776.2 Ų76.290%0.940%0.403SS*.THydrogen-bonded Turntrans-77.3-26.8177.3-65.1-175.6178.9-176.80113.6S19S19-K21 PolarHBondContact O-N 2.86Å; S19-K21 VanDerWaalsContact O-N 3.14Å
22N93.6Very high96.9Very high67 Ų6773 Ų7336%0.35839%0.389SS..BIsolated β-bridgetrans-145.488.9178.4-173.7-0.1000109.9S19 A24S19-N22 PolarHBondContact N-O 3.3Å; S19-N22 CarbonylContact O-C 3.59Å; S19-N22 PolarHBondContact O-N 2.76Å; S19-N22 VanDerWaalsContact O-O 3.12Å; S19-N22 PolarHBondContact OG-N 2.78Å; N22-A24 VanDerWaalsContact C-N 3.31Å; N22-A24 PolarHBondContact O-N 3.15Å; N22-A24 PolarHBondContact OD1-N 3.5Å
23P95.4Very high96.9Very high97 Ų9773.7 Ų73.763%0.6339%0.392SS*.SBendtrans-69.6-27.9-178.2-22.434.5000113.4P18 S19 P25P18-P23 WeakPolarHBondContact CB-O 3.28Å; S19-P23 VanDerWaalsContact O-N 3.16Å; P23-P25 VanDerWaalsContact C-CD 3.46Å; P23-P25 WeakPolarHBondContact O-CD 3.37Å
24A95.6Very high96.9Very high81 Ų8172 Ų7267%0.66938%0.383SS*.SBendtrans-124.669.4-175.400000111.6N22N22-A24 VanDerWaalsContact C-N 3.31Å; N22-A24 PolarHBondContact O-N 3.15Å; N22-A24 PolarHBondContact OD1-N 3.5Å
25P96.6Very high96.9Very high8 Ų873.2 Ų73.25%0.05239%0.392CS..PPolyproline II helixtrans-65144.1-179.724-30.1000111.5R15 L16 P18 P23R15-P25 HydrophobicContact CB-CG 4.49Å; L16-P25 HydrophobicContact CB-CB 3.98Å; L16-P25 HydrophobicContact CB-CG 4.33Å; L16-P25 WeakPolarHBondContact O-CG 3.44Å; P18-P25 HydrophobicContact CG-CG 4.45Å; P23-P25 VanDerWaalsContact C-CD 3.46Å; P23-P25 WeakPolarHBondContact O-CD 3.37Å
26P97.1Very high96.9Very high70 Ų7073 Ų7346%0.45540%0.396SS..PPolyproline II helixtrans-65.3146.1-175.626.4-35.1000112.2R15 Y28R15-P26 WeakPolarHBondContact CB-O 3.32Å; P26-Y28 HydrophobicContact CG-CE2 4.02Å
27L97.8Very high96.9Very high105 Ų10574.5 Ų74.555%0.5540%0.401SS..PPolyproline II helixtrans-86.4129.9175.8-69.4162.7000110.6I13 R15 V62I13-L27 HydrophobicContact CG2-CB 4.03Å; I13-L27 HydrophobicContact CG2-CD2 3.82Å; I13-L27 HydrophobicContact CG2-CG 4.44Å; R15-L27 HydrophobicContact CB-CD2 4.07Å; R15-L27 HydrophobicContact CG-CD2 4.16Å; L27-V62 HydrophobicContact CD2-CB 4.26Å; L27-V62 HydrophobicContact CD2-CG2 3.76Å
28Y98Very high97Very high65 Ų6574.8 Ų74.826%0.25541%0.406SS..EExtended strand (participates in β ladder)trans-110.1127.5174.3-61.4-79.1000110.4I13 G14 P26 R52 M54I13-Y28 VanDerWaalsContact CA-O 3.26Å; I13-Y28 WeakPolarHBondContact CA-O 3.48Å; G14-Y28 PolarHBondContact N-O 3.21Å; G14-Y28 PolarHBondContact O-N 3.17Å; P26-Y28 HydrophobicContact CG-CE2 4.02Å; Y28-R52 HydrophobicContact CE1-CG 4.15Å; Y28-R52 HydrophobicContact CE2-CG 4.47Å; Y28-M54 HydrophobicContact CD2-CE 3.62Å; Y28-M54 HydrophobicContact CE2-CE 3.75Å
29R98.1Very high97.1Very high190 Ų19073.5 Ų73.572%0.71740%0.397SS*.EExtended strand (participates in β ladder)trans-107.8131.2178.4-178.1-174.270.5173.40.4110.9K11 V12 I13K11-R29 HydrophobicContact CG-CG 4Å; V12-R29 CarbonylContact O-C 3.55Å; V12-R29 WeakPolarHBondContact O-CA 3.44Å; I13-R29 HydrophobicContact CG1-CB 4.14Å; I13-R29 HydrophobicContact CG1-CG 4.01Å
30M98.3Very high97.2Very high32 Ų3270.6 Ų70.616%0.15838%0.377CS..EExtended strand (participates in β ladder)trans-125.7149.2171.4-66.2-177.1164.100111.9V12 I32 F44 F47 V48 L51V12-M30 PolarHBondContact N-O 3.24Å; V12-M30 PolarHBondContact O-N 3.49Å; M30-I32 HydrophobicContact CB-CD1 3.86Å; M30-I32 HydrophobicContact CB-CG1 4.08Å; M30-I32 HydrophobicContact SD-CD1 4.21Å; M30-F44 HydrophobicContact CB-CD2 4.04Å; M30-F44 HydrophobicContact CB-CE2 4.41Å; M30-F44 HydrophobicContact CG-CD2 4.02Å; M30-F44 HydrophobicContact CG-CE2 4.09Å; M30-F44 HydrophobicContact SD-CD2 3.71Å; M30-F44 HydrophobicContact SD-CE2 4.05Å; M30-F47 HydrophobicContact CE-CB 3.8Å; M30-F47 HydrophobicContact SD-CB 3.79Å; M30-V48 HydrophobicContact CE-CB 4.25Å; M30-L51 HydrophobicContact CE-CD1 3.54Å
31R98Very high97.3Very high116 Ų11669.7 Ų69.744%0.43835%0.353SS..EExtended strand (participates in β ladder)trans-95.3113166.1-63.4172.769-1612.3107.5E9 Y10 V129E9-R31 VanDerWaalsContact CD-NH2 3.26Å; E9-R31 IonicContact OE1-CZ 2.78Å; E9-R31 IonicContact OE1-NE 3.2Å; E9-R31 PolarHBondContact OE1-NE 2.78Å; E9-R31 IonicContact OE1-NH2 2.63Å; E9-R31 PolarHBondContact OE1-NH2 3.19Å; E9-R31 IonicContact OE2-NH2 2.78Å; E9-R31 PolarHBondContact OE2-NH2 2.78Å; Y10-R31 CarbonylContact O-C 3.53Å; Y10-R31 WeakPolarHBondContact O-CA 3.45Å; R31-V129 PolarHBondContact NH1-O 2.81Å
32I98.3Very high97.5Very high6 Ų663.3 Ų63.33%0.03133%0.334CS..EExtended strand (participates in β ladder)trans-114.8125.1-175.9-57.4-63.1000109.1Y10 V12 M30 A34 A40 R43 F44 F47Y10-I32 PolarHBondContact N-O 3.49Å; Y10-I32 PolarHBondContact O-N 3.01Å; V12-I32 HydrophobicContact CB-CG1 4.38Å; V12-I32 HydrophobicContact CG2-CB 4.24Å; V12-I32 HydrophobicContact CG2-CG1 3.91Å; M30-I32 HydrophobicContact CB-CD1 3.86Å; M30-I32 HydrophobicContact CB-CG1 4.08Å; M30-I32 HydrophobicContact SD-CD1 4.21Å; I32-A34 HydrophobicContact CG2-CB 4.4Å; I32-A40 HydrophobicContact CG2-CB 4.06Å; I32-R43 HydrophobicContact CG2-CB 3.85Å; I32-F44 HydrophobicContact CG1-CB 4.35Å; I32-F47 HydrophobicContact CD1-CD2 3.82Å; I32-F47 HydrophobicContact CD1-CE2 4.24Å
33F98.3Very high97.7Very high16 Ų1661.1 Ų61.17%0.0732%0.321CS..EExtended strand (participates in β ladder)trans-94.2116.9173.9-60-81000109.4M1 L7 R8 E9 T102 V106 I126 V129M1-F33 WeakPolarHBondContact CE-O 3.34Å; L7-F33 HydrophobicContact CD1-CB 4.33Å; R8-F33 CarbonylContact O-C 3.59Å; R8-F33 WeakPolarHBondContact O-CA 3.35Å; E9-F33 HydrophobicContact CB-CD1 4.06Å; E9-F33 HydrophobicContact CB-CE1 3.82Å; E9-F33 HydrophobicContact CG-CD1 4.25Å; E9-F33 HydrophobicContact CG-CE1 3.73Å; E9-F33 HydrophobicContact CG-CZ 4.23Å; F33-T102 HydrophobicContact CE1-CG2 3.74Å; F33-T102 HydrophobicContact CZ-CG2 3.69Å; F33-V106 HydrophobicContact CB-CG1 3.88Å; F33-V106 HydrophobicContact CD1-CB 4.1Å; F33-V106 HydrophobicContact CD1-CG1 4.22Å; F33-V106 HydrophobicContact CD1-CG2 3.98Å; F33-V106 HydrophobicContact CD2-CG1 4.06Å; F33-V106 HydrophobicContact CD2-CG2 4.03Å; F33-V106 HydrophobicContact CE1-CB 4.42Å; F33-V106 HydrophobicContact CE1-CG2 3.84Å; F33-V106 HydrophobicContact CE2-CG2 3.9Å; F33-V106 HydrophobicContact CG-CB 4.16Å; F33-V106 HydrophobicContact CG-CG1 3.78Å; F33-V106 HydrophobicContact CG-CG2 4.07Å; F33-V106 HydrophobicContact CZ-CG2 3.81Å; F33-I126 HydrophobicContact CD2-CG2 4.29Å; F33-I126 HydrophobicContact CE2-CG2 4.19Å; F33-V129 HydrophobicContact CE2-CG2 3.81Å; F33-V129 HydrophobicContact CZ-CB 4.44Å; F33-V129 HydrophobicContact CZ-CG2 3.99Å
34A98Very high97.8Very high0 Ų056.5 Ų56.50%029%0.291CS..EExtended strand (participates in β ladder)trans-150158.2-176.200000112.3M1 R8 Y10 I32 N36 V39 A40M1-A34 HydrophobicContact CE-CB 3.53Å; R8-A34 PolarHBondContact N-O 3.02Å; R8-A34 PolarHBondContact O-N 2.78Å; Y10-A34 HydrophobicContact CD2-CB 4.27Å; Y10-A34 HydrophobicContact CE2-CB 4.37Å; I32-A34 HydrophobicContact CG2-CB 4.4Å; A34-N36 VanDerWaalsContact C-N 3.31Å; A34-N36 PolarHBondContact O-N 2.83Å; A34-V39 HydrophobicContact CB-CB 4.23Å; A34-V39 HydrophobicContact CB-CG1 4.15Å; A34-A40 HydrophobicContact CB-CB 3.88Å
35P97.6Very high97.9Very high26 Ų2654 Ų5417%0.16926%0.264CS..SBendtrans-65.8-32.8175.2-20.632.4000113.3K2 L7K2-P35 WeakPolarHBondContact O-CG 3.42Å; L7-P35 HydrophobicContact CD2-CG 3.91Å
36N97.8Very high98Very high68 Ų6857.4 Ų57.436%0.36428%0.277SS..SBendtrans-151.9172.8-178.863.840.4000111.5Y10 A34 V38 V39 A40Y10-N36 WeakPolarHBondContact OH-CA 3.36Å; A34-N36 VanDerWaalsContact C-N 3.31Å; A34-N36 PolarHBondContact O-N 2.83Å; N36-V38 PolarHBondContact O-N 2.99Å; N36-V38 PolarHBondContact OD1-N 2.93Å; N36-V39 PolarHBondContact O-N 2.64Å; N36-V39 WeakPolarHBondContact OD1-CG2 3.26Å; N36-V39 PolarHBondContact OD1-N 2.96Å; N36-A40 PolarHBondContact O-N 2.85Å
37H97.9Very high98Very high94 Ų9455.8 Ų55.844%0.43526%0.263SS..Hα-helixtrans-68.2-31.5-175.371.6-88.2000113.1Y10 A40 K41Y10-H37 HydrophobicContact CD1-CB 4.45Å; Y10-H37 HydrophobicContact CE1-CB 3.77Å; Y10-H37 PolarHBondContact OH-N 2.97Å; H37-A40 WeakPolarHBondContact O-CB 3.21Å; H37-A40 PolarHBondContact O-N 3.01Å; H37-K41 WeakPolarHBondContact O-CG 2.92Å; H37-K41 PolarHBondContact O-N 2.9Å
38V98Very high98Very high89 Ų8950.9 Ų50.954%0.53924%0.237SC..Hα-helixtrans-62.6-49.4178179.60000109.9N36 A40 K41 S42N36-V38 PolarHBondContact O-N 2.99Å; N36-V38 PolarHBondContact OD1-N 2.93Å; V38-A40 VanDerWaalsContact C-N 3.31Å; V38-A40 PolarHBondContact O-N 3.01Å; V38-K41 PolarHBondContact O-N 2.95Å; V38-S42 PolarHBondContact O-N 2.77Å
39V97.9Very high97.9Very high39 Ų3950.7 Ų50.724%0.23625%0.245CC..Hα-helixtrans-67.1-35.2177.1-179.40000110.8M1 A34 N36 S42 R43M1-V39 HydrophobicContact CB-CG1 4.23Å; M1-V39 HydrophobicContact CE-CG1 3.3Å; M1-V39 HydrophobicContact CG-CG1 3.88Å; M1-V39 HydrophobicContact SD-CG1 4.44Å; A34-V39 HydrophobicContact CB-CB 4.23Å; A34-V39 HydrophobicContact CB-CG1 4.15Å; N36-V39 PolarHBondContact O-N 2.64Å; N36-V39 WeakPolarHBondContact OD1-CG2 3.26Å; N36-V39 PolarHBondContact OD1-N 2.96Å; V39-S42 PolarHBondContact O-N 2.92Å; V39-R43 HydrophobicContact CG1-CG 4.42Å; V39-R43 WeakPolarHBondContact O-CG 3.39Å; V39-R43 PolarHBondContact O-N 3.47Å
40A98.3Very high97.8Very high0 Ų046.5 Ų46.50%023%0.234CC..Hα-helixtrans-60.6-47.7174.800000112.1Y10 V12 I32 A34 N36 H37 V38 S42 R43 F44Y10-A40 HydrophobicContact CD1-CB 4.25Å; Y10-A40 HydrophobicContact CD2-CB 3.65Å; Y10-A40 HydrophobicContact CE2-CB 4.25Å; Y10-A40 HydrophobicContact CG-CB 3.65Å; V12-A40 HydrophobicContact CG2-CB 4.39Å; I32-A40 HydrophobicContact CG2-CB 4.06Å; A34-A40 HydrophobicContact CB-CB 3.88Å; N36-A40 PolarHBondContact O-N 2.85Å; H37-A40 WeakPolarHBondContact O-CB 3.21Å; H37-A40 PolarHBondContact O-N 3.01Å; V38-A40 VanDerWaalsContact C-N 3.31Å; V38-A40 PolarHBondContact O-N 3.01Å; A40-S42 VanDerWaalsContact C-N 3.35Å; A40-S42 PolarHBondContact O-N 3.28Å; A40-R43 PolarHBondContact O-N 2.92Å; A40-F44 PolarHBondContact O-N 3.21Å
41K98.4Very high97.6Very high87 Ų8750.9 Ų50.938%0.37826%0.257SS..Hα-helixtrans-59.5-44.2175-69.1-179.6-179.2-179.20111.3H37 V38 R43 F44 W45 I61 C64H37-K41 WeakPolarHBondContact O-CG 2.92Å; H37-K41 PolarHBondContact O-N 2.9Å; V38-K41 PolarHBondContact O-N 2.95Å; K41-R43 PolarHBondContact O-N 2.85Å; K41-F44 WeakPolarHBondContact O-CB 3.41Å; K41-F44 PolarHBondContact O-N 3.33Å; K41-W45 PolarHBondContact O-N 3.2Å; K41-W45 VanDerWaalsContact O-N 3.16Å; K41-I61 HydrophobicContact CB-CD1 3.59Å; K41-I61 HydrophobicContact CD-CD1 4.2Å; K41-I61 HydrophobicContact CG-CD1 3.58Å; K41-C64 HydrophobicContact CG-CB 4.31Å
42S98.1Very high97.5Very high74 Ų7452 Ų5252%0.51726%0.261SS..Hα-helixtrans-60.3-44.8176.6173.10000112.4V38 V39 A40 W45 Y46V38-S42 PolarHBondContact O-N 2.77Å; V39-S42 PolarHBondContact O-N 2.92Å; A40-S42 VanDerWaalsContact C-N 3.35Å; A40-S42 PolarHBondContact O-N 3.28Å; S42-W45 PolarHBondContact O-N 3.38Å; S42-Y46 PolarHBondContact O-N 2.92Å; S42-Y46 VanDerWaalsContact O-N 3.07Å
43R97.9Very high97.2Very high20 Ų2062 Ų628%0.07530%0.304CS..Hα-helixtrans-70.9-33.3178.2-70.3-56.3-68.7178.9-8.6113.6M1 I32 V39 A40 K41 W45 Y46 F47M1-R43 HydrophobicContact CE-CG 3.48Å; M1-R43 VanDerWaalsContact CE-CG 3.48Å; I32-R43 HydrophobicContact CG2-CB 3.85Å; V39-R43 HydrophobicContact CG1-CG 4.42Å; V39-R43 WeakPolarHBondContact O-CG 3.39Å; V39-R43 PolarHBondContact O-N 3.47Å; A40-R43 PolarHBondContact O-N 2.92Å; K41-R43 PolarHBondContact O-N 2.85Å; R43-W45 VanDerWaalsContact C-N 3.33Å; R43-Y46 VanDerWaalsContact CZ-CD1 3.46Å; R43-Y46 VanDerWaalsContact NH1-CD1 3.32Å; R43-Y46 WeakPolarHBondContact O-CB 3.28Å; R43-Y46 PolarHBondContact O-N 3.13Å; R43-F47 HydrophobicContact CB-CD2 4.5Å; R43-F47 HydrophobicContact CB-CE2 4.38Å; R43-F47 VanDerWaalsContact NH2-CZ 3.34Å; R43-F47 WeakPolarHBondContact O-CD2 3.49Å; R43-F47 PolarHBondContact O-N 3.1Å
44F98.3Very high97.1Very high0 Ų061.4 Ų61.40%030%0.302CS..Hα-helixtrans-56.1-50.4170.3171.6-96.5000110.7V12 M30 I32 A40 K41 Y46 F47 V48 I61V12-F44 HydrophobicContact CB-CB 4.12Å; V12-F44 HydrophobicContact CB-CD2 3.85Å; V12-F44 HydrophobicContact CB-CG 4.08Å; V12-F44 HydrophobicContact CG1-CB 3.71Å; V12-F44 HydrophobicContact CG1-CD1 4.03Å; V12-F44 HydrophobicContact CG1-CD2 3.67Å; V12-F44 HydrophobicContact CG1-CE2 4.3Å; V12-F44 HydrophobicContact CG1-CG 3.51Å; V12-F44 HydrophobicContact CG2-CB 4.47Å; M30-F44 HydrophobicContact CB-CD2 4.04Å; M30-F44 HydrophobicContact CB-CE2 4.41Å; M30-F44 HydrophobicContact CG-CD2 4.02Å; M30-F44 HydrophobicContact CG-CE2 4.09Å; M30-F44 HydrophobicContact SD-CD2 3.71Å; M30-F44 HydrophobicContact SD-CE2 4.05Å; I32-F44 HydrophobicContact CG1-CB 4.35Å; A40-F44 PolarHBondContact O-N 3.21Å; K41-F44 WeakPolarHBondContact O-CB 3.41Å; K41-F44 PolarHBondContact O-N 3.33Å; F44-Y46 VanDerWaalsContact C-N 3.3Å; F44-Y46 PolarHBondContact O-N 2.8Å; F44-F47 PolarHBondContact O-N 2.9Å; F44-V48 HydrophobicContact CD1-CG1 4.46Å; F44-V48 HydrophobicContact CE1-CB 4.44Å; F44-V48 HydrophobicContact CE1-CG1 4.13Å; F44-V48 HydrophobicContact CZ-CB 4.29Å; F44-V48 HydrophobicContact CZ-CG1 4.45Å; F44-V48 HydrophobicContact CZ-CG2 4.29Å; F44-V48 WeakPolarHBondContact O-CB 3.48Å; F44-V48 WeakPolarHBondContact O-CG1 3.14Å; F44-V48 PolarHBondContact O-N 3.11Å; F44-I61 HydrophobicContact CD1-CD1 3.95Å; F44-I61 HydrophobicContact CD1-CG1 3.95Å; F44-I61 HydrophobicContact CE1-CG1 4.1Å
45W98.3Very high97Very high30 Ų3068.7 Ų68.711%0.11433%0.334CS..Hα-helixtrans-61.7-37177.7-73.3121.3000113.4K41 S42 R43 V48 S49 M54 K56 G59 I61K41-W45 PolarHBondContact O-N 3.2Å; K41-W45 VanDerWaalsContact O-N 3.16Å; S42-W45 PolarHBondContact O-N 3.38Å; R43-W45 VanDerWaalsContact C-N 3.33Å; W45-V48 HydrophobicContact CE3-CG1 3.62Å; W45-V48 HydrophobicContact CZ3-CG1 4.03Å; W45-S49 WeakPolarHBondContact O-CB 3.47Å; W45-S49 PolarHBondContact O-N 3.26Å; W45-S49 PolarHBondContact O-OG 3.42Å; W45-S49 VanDerWaalsContact O-OG 3.11Å; W45-M54 HydrophobicContact CH2-SD 4.31Å; W45-M54 HydrophobicContact CZ3-CG 3.85Å; W45-M54 HydrophobicContact CZ3-SD 3.74Å; W45-K56 HydrophobicContact CD2-CB 3.81Å; W45-K56 HydrophobicContact CD2-CG 4.29Å; W45-K56 HydrophobicContact CE3-CB 4.27Å; W45-K56 HydrophobicContact CG-CB 4.02Å; W45-K56 HydrophobicContact CG-CG 4.41Å; W45-K56 HydrophobicContact CZ2-CB 4.41Å; W45-K56 HydrophobicContact CZ2-CG 4.33Å; W45-G59 VanDerWaalsContact CH2-C 3.42Å; W45-I61 HydrophobicContact CZ2-CD1 4.4Å; W45-I61 HydrophobicContact CZ2-CG1 3.75Å
46Y97.4Very high97Very high79 Ų7975 Ų7531%0.3136%0.358SS..Hα-helixtrans-61.6-46.2174.5173.6-93.6000112.4S42 R43 F44 S49 Q50 Q125S42-Y46 PolarHBondContact O-N 2.92Å; S42-Y46 VanDerWaalsContact O-N 3.07Å; R43-Y46 VanDerWaalsContact CZ-CD1 3.46Å; R43-Y46 VanDerWaalsContact NH1-CD1 3.32Å; R43-Y46 WeakPolarHBondContact O-CB 3.28Å; R43-Y46 PolarHBondContact O-N 3.13Å; F44-Y46 VanDerWaalsContact C-N 3.3Å; F44-Y46 PolarHBondContact O-N 2.8Å; Y46-S49 PolarHBondContact O-OG 2.89Å; Y46-Q50 VanDerWaalsContact CZ-NE2 3.3Å; Y46-Q50 WeakPolarHBondContact O-CG 3.49Å; Y46-Q50 PolarHBondContact OH-NE2 3.09Å; Y46-Q50 VanDerWaalsContact OH-NE2 3.13Å; Y46-Q125 PolarHBondContact OH-NE2 3.26Å
47F97.4Very high96.9Very high36 Ų3676.3 Ų76.316%0.15838%0.379CS..Hα-helixtrans-77.6-39.7-178.2-70.4-57.3000112.7M30 I32 R43 F44 S49 Q50 L51 Q125M30-F47 HydrophobicContact CE-CB 3.8Å; M30-F47 HydrophobicContact SD-CB 3.79Å; I32-F47 HydrophobicContact CD1-CD2 3.82Å; I32-F47 HydrophobicContact CD1-CE2 4.24Å; R43-F47 HydrophobicContact CB-CD2 4.5Å; R43-F47 HydrophobicContact CB-CE2 4.38Å; R43-F47 VanDerWaalsContact NH2-CZ 3.34Å; R43-F47 WeakPolarHBondContact O-CD2 3.49Å; R43-F47 PolarHBondContact O-N 3.1Å; F44-F47 PolarHBondContact O-N 2.9Å; F47-S49 VanDerWaalsContact C-N 3.28Å; F47-S49 PolarHBondContact O-N 3.46Å; F47-Q50 PolarHBondContact O-N 3.03Å; F47-L51 WeakPolarHBondContact O-CG 3.44Å; F47-L51 PolarHBondContact O-N 3.13Å; F47-L51 VanDerWaalsContact O-N 3.15Å; F47-Q125 HydrophobicContact CE1-CB 4.14Å; F47-Q125 HydrophobicContact CE1-CG 4.11Å; F47-Q125 HydrophobicContact CZ-CB 4.49Å
48V97.3Very high96.8Very high2 Ų274.4 Ų74.41%0.01238%0.376CS..Hα-helixtrans-66.5-32.8-177.679.10000111.5M30 F44 W45 Q50 L51 R52 M54M30-V48 HydrophobicContact CE-CB 4.25Å; F44-V48 HydrophobicContact CD1-CG1 4.46Å; F44-V48 HydrophobicContact CE1-CB 4.44Å; F44-V48 HydrophobicContact CE1-CG1 4.13Å; F44-V48 HydrophobicContact CZ-CB 4.29Å; F44-V48 HydrophobicContact CZ-CG1 4.45Å; F44-V48 HydrophobicContact CZ-CG2 4.29Å; F44-V48 WeakPolarHBondContact O-CB 3.48Å; F44-V48 WeakPolarHBondContact O-CG1 3.14Å; F44-V48 PolarHBondContact O-N 3.11Å; W45-V48 HydrophobicContact CE3-CG1 3.62Å; W45-V48 HydrophobicContact CZ3-CG1 4.03Å; V48-Q50 VanDerWaalsContact C-N 3.3Å; V48-Q50 PolarHBondContact O-N 2.84Å; V48-L51 PolarHBondContact O-N 3.15Å; V48-R52 HydrophobicContact CG2-CB 4.48Å; V48-R52 CarbonylContact O-C 3.58Å; V48-R52 WeakPolarHBondContact O-CA 3.44Å; V48-R52 PolarHBondContact O-N 3.46Å; V48-M54 HydrophobicContact CG1-CB 4.47Å; V48-M54 HydrophobicContact CG1-SD 4.14Å; V48-M54 HydrophobicContact CG2-CB 4.36Å; V48-M54 HydrophobicContact CG2-SD 3.8Å
49S96.4Very high96.7Very high60 Ų6070.5 Ų70.542%0.4235%0.354SS..Hα-helixtrans-70.3-26.1176.667.50000113.4W45 Y46 F47 R52 M54W45-S49 WeakPolarHBondContact O-CB 3.47Å; W45-S49 PolarHBondContact O-N 3.26Å; W45-S49 PolarHBondContact O-OG 3.42Å; W45-S49 VanDerWaalsContact O-OG 3.11Å; Y46-S49 PolarHBondContact O-OG 2.89Å; F47-S49 VanDerWaalsContact C-N 3.28Å; F47-S49 PolarHBondContact O-N 3.46Å; S49-R52 CarbonylContact C-O 2.97Å; S49-R52 WeakPolarHBondContact CA-O 3.44Å; S49-R52 VanDerWaalsContact O-O 3.13Å; S49-M54 WeakPolarHBondContact CA-O 3.15Å; S49-M54 WeakPolarHBondContact CB-O 3.45Å
50Q95.3Very high96.7Very high103 Ų10371.7 Ų71.748%0.48136%0.357SS..Hα-helixtrans-77.7-31.7173.5-69.2177.6-34.200112.2Y46 F47 V48Y46-Q50 VanDerWaalsContact CZ-NE2 3.3Å; Y46-Q50 WeakPolarHBondContact O-CG 3.49Å; Y46-Q50 PolarHBondContact OH-NE2 3.09Å; Y46-Q50 VanDerWaalsContact OH-NE2 3.13Å; F47-Q50 PolarHBondContact O-N 3.03Å; V48-Q50 VanDerWaalsContact C-N 3.3Å; V48-Q50 PolarHBondContact O-N 2.84Å
51L95.2Very high96.7Very high124 Ų12473.7 Ų73.765%0.64937%0.367SS*.Hα-helixtrans-94.2-30.2-176.3-64.1176.6000113.4M30 F47 V48M30-L51 HydrophobicContact CE-CD1 3.54Å; F47-L51 WeakPolarHBondContact O-CG 3.44Å; F47-L51 PolarHBondContact O-N 3.13Å; F47-L51 VanDerWaalsContact O-N 3.15Å; V48-L51 PolarHBondContact O-N 3.15Å
52R94.5Very high96.7Very high138 Ų13873.1 Ų73.152%0.52137%0.371SS..SBendtrans-138.9152.5-176.2-61.4-63.8-176.9-173.92.2108.9Y28 V48 S49 M54Y28-R52 HydrophobicContact CE1-CG 4.15Å; Y28-R52 HydrophobicContact CE2-CG 4.47Å; V48-R52 HydrophobicContact CG2-CB 4.48Å; V48-R52 CarbonylContact O-C 3.58Å; V48-R52 WeakPolarHBondContact O-CA 3.44Å; V48-R52 PolarHBondContact O-N 3.46Å; S49-R52 CarbonylContact C-O 2.97Å; S49-R52 WeakPolarHBondContact CA-O 3.44Å; S49-R52 VanDerWaalsContact O-O 3.13Å; R52-M54 HydrophobicContact CB-CB 4.4Å; R52-M54 PolarHBondContact O-N 3.4Å
53K93.9Very high96.7Very high217 Ų21774.6 Ų74.694%0.94337%0.366SS*.SBendtrans-74.158.9174.2-63.7-175179.7-1790111.4
54M94.5Very high96.8Very high4 Ų475.2 Ų75.22%0.0237%0.373CS..  trans-124.3126.9-176.3-173.2-168.5-76.200109.6R15 L16 Y28 W45 V48 S49 R52R15-M54 VanDerWaalsContact C-CE 3.43Å; L16-M54 HydrophobicContact CD2-CB 4.23Å; L16-M54 HydrophobicContact CD2-CE 4.47Å; L16-M54 HydrophobicContact CD2-CG 3.75Å; L16-M54 HydrophobicContact CG-CE 3.96Å; L16-M54 HydrophobicContact CG-CG 4.26Å; Y28-M54 HydrophobicContact CD2-CE 3.62Å; Y28-M54 HydrophobicContact CE2-CE 3.75Å; W45-M54 HydrophobicContact CH2-SD 4.31Å; W45-M54 HydrophobicContact CZ3-CG 3.85Å; W45-M54 HydrophobicContact CZ3-SD 3.74Å; V48-M54 HydrophobicContact CG1-CB 4.47Å; V48-M54 HydrophobicContact CG1-SD 4.14Å; V48-M54 HydrophobicContact CG2-CB 4.36Å; V48-M54 HydrophobicContact CG2-SD 3.8Å; S49-M54 WeakPolarHBondContact CA-O 3.15Å; S49-M54 WeakPolarHBondContact CB-O 3.45Å; R52-M54 HydrophobicContact CB-CB 4.4Å; R52-M54 PolarHBondContact O-N 3.4Å
55K96.5Very high96.8Very high153 Ų15375.7 Ų75.767%0.66538%0.378SS*.  trans-118.9159.1177.2-64.3-176.4-178.7179.30109.5A57 S58 G59K55-A57 PolarHBondContact O-N 2.88Å; K55-S58 PolarHBondContact N-OG 2.83Å; K55-S58 PolarHBondContact O-N 2.93Å; K55-S58 VanDerWaalsContact O-N 3.1Å; K55-S58 PolarHBondContact O-OG 3.37Å; K55-G59 PolarHBondContact O-N 2.63Å; K55-G59 VanDerWaalsContact O-N 3.13Å
56K96.8Very high96.8Very high158 Ų15877.6 Ų77.669%0.68739%0.39SS*.THydrogen-bonded Turntrans-56.7-33177.2-177.8-177.9175.5-164.20113.1W45W45-K56 HydrophobicContact CD2-CB 3.81Å; W45-K56 HydrophobicContact CD2-CG 4.29Å; W45-K56 HydrophobicContact CE3-CB 4.27Å; W45-K56 HydrophobicContact CG-CB 4.02Å; W45-K56 HydrophobicContact CG-CG 4.41Å; W45-K56 HydrophobicContact CZ2-CB 4.41Å; W45-K56 HydrophobicContact CZ2-CG 4.33Å
57A96.6Very high96.8Very high96 Ų9676.4 Ų76.479%0.79339%0.391SS*.THydrogen-bonded Turntrans-73.2-28.6179.700000113.2K55K55-A57 PolarHBondContact O-N 2.88Å
58S95.5Very high96.7Very high53 Ų5381.8 Ų81.837%0.37142%0.416SS..SBendtrans-105.58.4-17760.80000113.3L16 L17 K55L16-S58 WeakPolarHBondContact CA-O 3.49Å; L16-S58 VanDerWaalsContact CD2-O 3.28Å; L16-S58 WeakPolarHBondContact CD2-O 3.43Å; L17-S58 PolarHBondContact N-O 2.95Å; K55-S58 PolarHBondContact N-OG 2.83Å; K55-S58 PolarHBondContact O-N 2.93Å; K55-S58 VanDerWaalsContact O-N 3.1Å; K55-S58 PolarHBondContact O-OG 3.37Å
59G96.9Very high96.6Very high8 Ų884 Ų848%0.08243%0.426CS..EExtended strand (participates in β ladder)trans-149.1166.6-176.100000112.4R15 W45 K55R15-G59 CarbonylContact O-C 3.56Å; R15-G59 WeakPolarHBondContact O-CA 3.06Å; W45-G59 VanDerWaalsContact CH2-C 3.42Å; K55-G59 PolarHBondContact O-N 2.63Å; K55-G59 VanDerWaalsContact O-N 3.13Å
60E97.9Very high96.6Very high64 Ų6490.7 Ų90.730%0.29945%0.448SS..EExtended strand (participates in β ladder)trans-129.9151.5-178.260179.2176.200111.2G14 R15 L17 V62G14-E60 CarbonylContact C-O 3.54Å; G14-E60 WeakPolarHBondContact CA-O 3.49Å; R15-E60 HydrophobicContact CG-CG 4.02Å; R15-E60 IonicContact CZ-OE1 3.28Å; R15-E60 VanDerWaalsContact CZ-OE1 3.22Å; R15-E60 PolarHBondContact N-O 2.94Å; R15-E60 IonicContact NE-OE1 2.66Å; R15-E60 PolarHBondContact NE-OE1 3.09Å; R15-E60 IonicContact NH2-OE1 2.97Å; R15-E60 PolarHBondContact NH2-OE1 3.21Å; R15-E60 PolarHBondContact O-N 3.35Å; L17-E60 HydrophobicContact CD2-CB 4.12Å; L17-E60 HydrophobicContact CD2-CG 4.1Å; E60-V62 HydrophobicContact CG-CG2 4.41Å
61I98.4Very high96.7Very high41 Ų4189 Ų8921%0.2145%0.445CS..EExtended strand (participates in β ladder)trans-92.4112.5168.6-66.9178.7000107V12 I13 K41 F44 W45 Y63 C64V12-I61 HydrophobicContact CG1-CD1 4.08Å; V12-I61 HydrophobicContact CG1-CG1 4.38Å; V12-I61 HydrophobicContact CG1-CG2 3.85Å; I13-I61 CarbonylContact O-C 3.6Å; K41-I61 HydrophobicContact CB-CD1 3.59Å; K41-I61 HydrophobicContact CD-CD1 4.2Å; K41-I61 HydrophobicContact CG-CD1 3.58Å; F44-I61 HydrophobicContact CD1-CD1 3.95Å; F44-I61 HydrophobicContact CD1-CG1 3.95Å; F44-I61 HydrophobicContact CE1-CG1 4.1Å; W45-I61 HydrophobicContact CZ2-CD1 4.4Å; W45-I61 HydrophobicContact CZ2-CG1 3.75Å; I61-Y63 WeakPolarHBondContact CG2-O 3.44Å; I61-C64 HydrophobicContact CG2-CB 4.13Å
62V98.1Very high96.7Very high76 Ų7686.5 Ų86.546%0.46144%0.435SS..EExtended strand (participates in β ladder)trans-76.9-36179.6-178.30000110.9I13 R15 L27 E60I13-V62 PolarHBondContact O-N 3.2Å; R15-V62 HydrophobicContact CG-CG2 3.77Å; L27-V62 HydrophobicContact CD2-CB 4.26Å; L27-V62 HydrophobicContact CD2-CG2 3.76Å; E60-V62 HydrophobicContact CG-CG2 4.41Å
63Y98.5Very high96.9Very high104 Ų10488 Ų8841%0.40845%0.453SS..EExtended strand (participates in β ladder)trans-147137.9-179.8179.7-92.9000111.6K11 V12 I13 I61 G65K11-Y63 HydrophobicContact CB-CE1 4.38Å; K11-Y63 HydrophobicContact CD-CE1 4.43Å; K11-Y63 HydrophobicContact CG-CE1 4.43Å; K11-Y63 WeakPolarHBondContact O-CD1 3.38Å; V12-Y63 CarbonylContact C-O 3.53Å; V12-Y63 WeakPolarHBondContact CA-O 3.27Å; I13-Y63 HydrophobicContact CD1-CD1 4.37Å; I13-Y63 HydrophobicContact CG1-CD1 4.49Å; I13-Y63 PolarHBondContact N-O 3.46Å; I13-Y63 PolarHBondContact O-N 3.38Å; I13-Y63 VanDerWaalsContact O-N 3.16Å; I61-Y63 WeakPolarHBondContact CG2-O 3.44Å; Y63-G65 VanDerWaalsContact CE1-N 3.31Å
64C98.6Very high97Very high34 Ų3484.6 Ų84.623%0.2344%0.438CS..EExtended strand (participates in β ladder)trans-141.1104.9169-178.20000108.7K41 I61K41-C64 HydrophobicContact CG-CB 4.31Å; I61-C64 HydrophobicContact CG2-CB 4.13Å
65G98.4Very high97.2Very high10 Ų1087.6 Ų87.610%0.10346%0.457CS..EExtended strand (participates in β ladder)trans-135.2152.3-177.300000112.5Y10 K11 Y63Y10-G65 CarbonylContact C-O 3.57Å; Y10-G65 WeakPolarHBondContact CA-O 3.41Å; K11-G65 PolarHBondContact N-O 3.24Å; K11-G65 PolarHBondContact O-N 3.14Å; K11-G65 VanDerWaalsContact O-N 3.1Å; Y63-G65 VanDerWaalsContact CE1-N 3.31Å
66L97.9Very high97.3Very high70 Ų7081.3 Ų81.337%0.36643%0.429SS..EExtended strand (participates in β ladder)trans-66.6139.4174.4-81.2156.8000110.5R8 Y10R8-L66 HydrophobicContact CB-CD2 3.62Å; R8-L66 HydrophobicContact CG-CD2 4.27Å; Y10-L66 HydrophobicContact CD1-CD2 4.24Å; Y10-L66 HydrophobicContact CD1-CG 4.18Å; Y10-L66 HydrophobicContact CE1-CD1 4.48Å; Y10-L66 HydrophobicContact CE1-CD2 3.7Å; Y10-L66 HydrophobicContact CE1-CG 3.62Å; Y10-L66 HydrophobicContact CE2-CD2 4.07Å
67V97.4Very high97.4Very high53 Ų5374.2 Ų74.232%0.32140%0.399SS..  trans-106.9114169.5-178.20000107.3E9 K11E9-V67 HydrophobicContact CB-CB 4.23Å; E9-V67 HydrophobicContact CG-CB 3.95Å; E9-V67 HydrophobicContact CG-CG2 4.42Å; E9-V67 PolarHBondContact O-N 3.07Å; K11-V67 HydrophobicContact CB-CG2 3.53Å
68H95.8Very high97.5Very high150 Ų15069.7 Ų69.769%0.69436%0.362SS*.  trans-84.9148.2175.7-62.9-79000110.6K70H68-K70 PolarHBondContact O-N 3Å
69E95.9Very high97.6Very high48 Ų4867.2 Ų67.222%0.22434%0.344CS..  trans-66.9128.5177.8-174.361-128.800109.8T71 P72 K76 S101 T102E69-T71 PolarHBondContact O-N 2.86Å; E69-P72 HydrophobicContact CB-CB 4.4Å; E69-P72 HydrophobicContact CG-CB 4.47Å; E69-K76 VanDerWaalsContact CD-NZ 3.3Å; E69-K76 IonicContact OE1-NZ 3.22Å; E69-K76 PolarHBondContact OE1-NZ 3.1Å; E69-S101 WeakPolarHBondContact OE2-CA 3.39Å; E69-T102 PolarHBondContact OE2-N 2.76Å; E69-T102 PolarHBondContact OE2-OG1 3.02Å
70K95.9Very high97.7Very high201 Ų20166.8 Ų66.887%0.87434%0.34SS*.SBendtrans-67.2-35.6-175.9-67.5-174.1176.3-172.10113.1H68H68-K70 PolarHBondContact O-N 3Å
71T96.6Very high97.7Very high68 Ų6867.8 Ų67.842%0.41734%0.341SS..  trans-131.474.8-178.666.30000109.7E69 L73 K74 K76E69-T71 PolarHBondContact O-N 2.86Å; T71-L73 PolarHBondContact O-N 2.97Å; T71-K74 PolarHBondContact O-N 2.84Å; T71-K76 PolarHBondContact O-NZ 3.16Å; T71-K76 PolarHBondContact OG1-NZ 2.69Å
72P96.3Very high97.7Very high70 Ų7065.9 Ų65.946%0.45533%0.331SS..THydrogen-bonded Turntrans-72.8-16.1-17229.8-34.9000113.4E69 L100E69-P72 HydrophobicContact CB-CB 4.4Å; E69-P72 HydrophobicContact CG-CB 4.47Å; P72-L100 WeakPolarHBondContact O-CB 3.43Å
73L97.5Very high97.7Very high170 Ų17067 Ų6789%0.8933%0.327SS*.THydrogen-bonded Turntrans-90.5-6.6-180-56.7179.5000113.3T71T71-L73 PolarHBondContact O-N 2.97Å
74K97.8Very high97.7Very high145 Ų14563.1 Ų63.163%0.6331%0.312SS*.SBendtrans-104.5122.7-177.2-174.6173.7-177.7172.50110.6T71 K76T71-K74 PolarHBondContact O-N 2.84Å; K74-K76 WeakPolarHBondContact O-CE 3.27Å
75V97.9Very high97.7Very high68 Ų6864.3 Ų64.341%0.41232%0.316SS..  trans-66.1133.2173-175.80000110.1R98 L100V75-R98 HydrophobicContact CG1-CG 3.57Å; V75-R98 VanDerWaalsContact CG1-CZ 3.42Å; V75-L100 HydrophobicContact CB-CD2 4.38Å; V75-L100 HydrophobicContact CG2-CD2 3.65Å
76K98.4Very high97.6Very high20 Ų2065.9 Ų65.99%0.08733%0.326CS..EExtended strand (participates in β ladder)trans-128.8156-178.8-79.1164.5-82.6-168.90110.1E69 T71 K74 F78 R98 D99 L100 V131E69-K76 VanDerWaalsContact CD-NZ 3.3Å; E69-K76 IonicContact OE1-NZ 3.22Å; E69-K76 PolarHBondContact OE1-NZ 3.1Å; T71-K76 PolarHBondContact O-NZ 3.16Å; T71-K76 PolarHBondContact OG1-NZ 2.69Å; K74-K76 WeakPolarHBondContact O-CE 3.27Å; K76-F78 HydrophobicContact CB-CD2 4.26Å; K76-F78 HydrophobicContact CB-CE2 3.65Å; K76-F78 HydrophobicContact CB-CZ 3.84Å; K76-F78 HydrophobicContact CD-CZ 4.16Å; K76-R98 WeakPolarHBondContact O-CA 3.37Å; K76-D99 PolarHBondContact N-O 2.81Å; K76-D99 PolarHBondContact O-N 2.82Å; K76-D99 VanDerWaalsContact O-O 3.07Å; K76-L100 VanDerWaalsContact CE-O 3.27Å; K76-L100 WeakPolarHBondContact CE-O 3.15Å; K76-L100 PolarHBondContact NZ-O 2.86Å; K76-V131 HydrophobicContact CB-CG1 4.11Å; K76-V131 HydrophobicContact CD-CG1 4.18Å; K76-V131 HydrophobicContact CD-CG2 4.01Å; K76-V131 HydrophobicContact CG-CG1 3.96Å
77N98.6Very high97.4Very high10 Ų1073.3 Ų73.35%0.05335%0.349CS..EExtended strand (participates in β ladder)trans-98.6130165.5-48.1-52.6000107.6Y97 R98 V131 I132 C137 I142 H146N77-Y97 CarbonylContact C-O 3.57Å; N77-R98 PolarHBondContact OD1-NH1 2.8Å; N77-V131 CarbonylContact O-C 3.59Å; N77-V131 WeakPolarHBondContact O-CA 3.36Å; N77-I132 PolarHBondContact O-N 3.17Å; N77-C137 VanDerWaalsContact CB-SG 3.6Å; N77-C137 PolarHBondContact ND2-SG 2.9Å; N77-I142 HydrophobicContact CB-CG2 4.38Å; N77-H146 PolarHBondContact ND2-CE1 3.21Å; N77-H146 PolarHBondContact ND2-NE2 3.14Å; N77-H146 PolarHBondContact OD1-NE2 2.84Å
78F98.7Very high97.4Very high1 Ų176.4 Ų76.40%0.00437%0.373CS..EExtended strand (participates in β ladder)trans-114.3122.8180-66.4-87000109.7K76 E96 Y97 D99 S101 T102 A105 V129 Q130 V131K76-F78 HydrophobicContact CB-CD2 4.26Å; K76-F78 HydrophobicContact CB-CE2 3.65Å; K76-F78 HydrophobicContact CB-CZ 3.84Å; K76-F78 HydrophobicContact CD-CZ 4.16Å; F78-E96 CarbonylContact O-C 3.57Å; F78-E96 VanDerWaalsContact O-CA 3.26Å; F78-E96 WeakPolarHBondContact O-CA 3.48Å; F78-Y97 PolarHBondContact N-O 3.36Å; F78-Y97 PolarHBondContact O-N 3.13Å; F78-D99 HydrophobicContact CD2-CB 4.34Å; F78-D99 HydrophobicContact CE2-CB 4.26Å; F78-D99 WeakPolarHBondContact CE2-O 3.39Å; F78-S101 VanDerWaalsContact CZ-C 3.45Å; F78-T102 HydrophobicContact CE1-CG2 4.42Å; F78-T102 WeakPolarHBondContact CE1-OG1 3.43Å; F78-A105 HydrophobicContact CB-CB 3.81Å; F78-A105 HydrophobicContact CD2-CB 3.56Å; F78-A105 HydrophobicContact CE2-CB 4.23Å; F78-A105 HydrophobicContact CG-CB 3.72Å; F78-V129 HydrophobicContact CD1-CG1 4.18Å; F78-Q130 CarbonylContact C-O 3.42Å; F78-Q130 WeakPolarHBondContact CA-O 3.18Å; F78-V131 HydrophobicContact CD1-CG2 3.85Å; F78-V131 HydrophobicContact CE1-CG2 3.49Å; F78-V131 VanDerWaalsContact CE1-CG2 3.49Å; F78-V131 HydrophobicContact CZ-CG2 4.22Å
79G98.7Very high97.4Very high0 Ų070.7 Ų70.70%036%0.355CS..EExtended strand (participates in β ladder)trans-88.1129.9164.900000110.3W81 R95 V129 Q130 I132G79-W81 WeakPolarHBondContact O-CZ3 3.44Å; G79-R95 WeakPolarHBondContact CA-O 3.35Å; G79-V129 WeakPolarHBondContact O-CA 3.38Å; G79-Q130 PolarHBondContact N-O 3.08Å; G79-Q130 PolarHBondContact O-N 3.03Å; G79-I132 VanDerWaalsContact CA-CD1 3.45Å
80I98.7Very high97.5Very high0 Ų072 Ų720%037%0.366CS..EExtended strand (participates in β ladder)trans-120.4119.1179.4-59.2-176.1000108L82 Y94 R95 Y97 A105 V106 C109 I126 K128 V129I80-L82 HydrophobicContact CG2-CD2 4.19Å; I80-Y94 WeakPolarHBondContact O-CA 3.16Å; I80-R95 PolarHBondContact N-O 2.93Å; I80-R95 PolarHBondContact O-N 3.12Å; I80-Y97 HydrophobicContact CD1-CD2 3.59Å; I80-Y97 HydrophobicContact CD1-CE2 3.92Å; I80-Y97 HydrophobicContact CG1-CD2 4.16Å; I80-A105 HydrophobicContact CD1-CB 4.43Å; I80-V106 HydrophobicContact CD1-CG2 3.96Å; I80-C109 HydrophobicContact CD1-CB 3.79Å; I80-I126 HydrophobicContact CG2-CD1 3.91Å; I80-I126 HydrophobicContact CG2-CG2 4.23Å; I80-K128 WeakPolarHBondContact CA-O 3.44Å; I80-V129 HydrophobicContact CG1-CG1 4.03Å; I80-V129 HydrophobicContact CG1-CG2 4.2Å; I80-V129 HydrophobicContact CG2-CG2 4.4Å
81W98.7Very high97.6Very high84 Ų8466.6 Ų66.632%0.31834%0.343SS..EExtended strand (participates in β ladder)trans-94.8119.6167.7-64.3-101.3000107.4G79 M93 Y94 M127 K128 Q130 I132G79-W81 WeakPolarHBondContact O-CZ3 3.44Å; W81-M93 WeakPolarHBondContact CA-O 3.38Å; W81-Y94 AromaticContact CD1-CD2 3.96Å; W81-Y94 AromaticContact CD2-CD2 3.86Å; W81-Y94 HydrophobicContact CD2-CD2 3.86Å; W81-Y94 HydrophobicContact CD2-CE2 4.22Å; W81-Y94 AromaticContact CE2-CD2 3.51Å; W81-Y94 AromaticContact CE2-CE2 3.74Å; W81-Y94 HydrophobicContact CE3-CD2 4.49Å; W81-Y94 HydrophobicContact CE3-CE2 4.5Å; W81-Y94 HydrophobicContact CG-CD2 4.15Å; W81-Y94 AromaticContact CH2-CE2 3.94Å; W81-Y94 HydrophobicContact CH2-CE2 3.94Å; W81-Y94 AromaticContact CZ2-CD2 3.89Å; W81-Y94 HydrophobicContact CZ2-CD2 3.89Å; W81-Y94 AromaticContact CZ2-CE2 3.6Å; W81-Y94 HydrophobicContact CZ2-CE2 3.6Å; W81-Y94 HydrophobicContact CZ3-CE2 4.37Å; W81-Y94 AromaticContact NE1-CD2 3.57Å; W81-M127 PolarHBondContact O-N 3.48Å; W81-K128 HydrophobicContact CB-CB 4.24Å; W81-K128 HydrophobicContact CD2-CB 4.33Å; W81-K128 HydrophobicContact CD2-CD 4.43Å; W81-K128 HydrophobicContact CE3-CB 3.79Å; W81-K128 HydrophobicContact CE3-CD 3.95Å; W81-K128 HydrophobicContact CE3-CG 3.84Å; W81-K128 HydrophobicContact CZ3-CD 4.07Å; W81-K128 HydrophobicContact CZ3-CG 4.11Å; W81-K128 PolarHBondContact N-O 3.35Å; W81-K128 PolarHBondContact O-N 3.45Å; W81-Q130 HydrophobicContact CH2-CB 4.17Å; W81-Q130 HydrophobicContact CZ3-CB 3.74Å; W81-I132 HydrophobicContact CH2-CD1 4.42Å
82L98.2Very high97.7Very high2 Ų269.2 Ų69.21%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-127.1150.4178.664.7136.1000110.4I80 Y84 N92 M93 R95 M113 I124 Q125 I126I80-L82 HydrophobicContact CG2-CD2 4.19Å; L82-Y84 HydrophobicContact CD1-CD1 4.45Å; L82-N92 WeakPolarHBondContact O-CA 3.43Å; L82-M93 HydrophobicContact CD1-CB 4.35Å; L82-M93 HydrophobicContact CD2-CB 3.98Å; L82-M93 HydrophobicContact CG-CB 3.94Å; L82-M93 PolarHBondContact N-O 3.01Å; L82-M93 PolarHBondContact O-N 3.17Å; L82-R95 HydrophobicContact CD2-CB 4.35Å; L82-R95 HydrophobicContact CD2-CG 4.22Å; L82-M113 HydrophobicContact CD1-CE 3.85Å; L82-M113 HydrophobicContact CD1-CG 3.96Å; L82-M113 HydrophobicContact CD1-SD 3.82Å; L82-I124 HydrophobicContact CD1-CG2 4.16Å; L82-Q125 CarbonylContact C-O 3.54Å; L82-Q125 VanDerWaalsContact CA-O 3.27Å; L82-Q125 WeakPolarHBondContact CA-O 3.37Å; L82-I126 HydrophobicContact CB-CD1 4.07Å
83R98.1Very high97.8Very high99 Ų9967.6 Ų67.637%0.37434%0.342SS..EExtended strand (participates in β ladder)trans-107.6140.8161.1-176.9-179.1-166.7173.46107.3T90 H91 Q125 M127R83-T90 PolarHBondContact NH2-OG1 3.21Å; R83-T90 VanDerWaalsContact NH2-OG1 3.09Å; R83-H91 WeakPolarHBondContact CA-O 3.5Å; R83-Q125 HydrophobicContact CB-CB 4.35Å; R83-Q125 PolarHBondContact N-O 3.13Å; R83-Q125 PolarHBondContact O-N 2.91Å; R83-M127 HydrophobicContact CB-SD 4.01Å
84Y98Very high97.8Very high23 Ų2361 Ų619%0.0931%0.305CS..EExtended strand (participates in β ladder)trans-142.7152171.880.7-67.6000112.4L82 T90 H91 M93 M113 H117 A119 S123L82-Y84 HydrophobicContact CD1-CD1 4.45Å; Y84-T90 WeakPolarHBondContact O-CA 3.26Å; Y84-H91 HydrophobicContact CD1-CB 4.24Å; Y84-H91 WeakPolarHBondContact CD1-O 3.5Å; Y84-H91 HydrophobicContact CE1-CB 3.56Å; Y84-H91 PolarHBondContact N-O 3.21Å; Y84-H91 PolarHBondContact O-N 3.16Å; Y84-M93 HydrophobicContact CD1-CE 3.88Å; Y84-M93 HydrophobicContact CD1-CG 4.26Å; Y84-M93 HydrophobicContact CE1-CE 3.04Å; Y84-M93 HydrophobicContact CE1-CG 3.9Å; Y84-M93 HydrophobicContact CE1-SD 4.23Å; Y84-M93 HydrophobicContact CE2-CE 4.24Å; Y84-M93 WeakPolarHBondContact OH-CE 3.18Å; Y84-M113 HydrophobicContact CD1-CE 3.85Å; Y84-M113 HydrophobicContact CD2-CE 3.71Å; Y84-M113 HydrophobicContact CE1-CE 4.2Å; Y84-M113 HydrophobicContact CE2-CE 4.03Å; Y84-M113 HydrophobicContact CG-CE 3.6Å; Y84-H117 HydrophobicContact CE2-CB 4.41Å; Y84-A119 HydrophobicContact CD2-CB 3.97Å; Y84-S123 CarbonylContact C-O 3.6Å; Y84-S123 WeakPolarHBondContact CA-O 3.48Å
85D97.4Very high97.9Very high59 Ų5956 Ų5632%0.31628%0.282SS..EExtended strand (participates in β ladder)trans-92.7119.9173-47.3-39.3000108.9T90 S123D85-T90 WeakPolarHBondContact OD1-CB 3.14Å; D85-T90 WeakPolarHBondContact OD1-CG2 3.48Å; D85-S123 PolarHBondContact N-O 3.28Å; D85-S123 PolarHBondContact O-OG 2.97Å
86S96Very high97.9Very high43 Ų4353.4 Ų53.430%0.30127%0.266SS..  trans-82.8-172.4168.381.50000109.7S88 G89 H91S86-S88 PolarHBondContact O-N 2.92Å; S86-S88 PolarHBondContact OG-N 2.8Å; S86-S88 VanDerWaalsContact OG-N 3.13Å; S86-G89 PolarHBondContact N-O 3.36Å; S86-G89 PolarHBondContact OG-N 3Å; S86-G89 VanDerWaalsContact OG-N 3.11Å; S86-G89 PolarHBondContact OG-O 3.28Å; S86-H91 PolarHBondContact OG-CD2 3.36Å; S86-H91 PolarHBondContact OG-NE2 2.91Å; S86-H91 VanDerWaalsContact OG-NE2 3.15Å
87R95.5Very high97.9Very high225 Ų22553.1 Ų53.185%0.84926%0.264SS*.SBendtrans-72.3-21173.3-63.6-179.1-178.2-177.6-2.6112.9
88S95.9Very high97.9Very high119 Ų11956.9 Ų56.983%0.83228%0.278SS*.SBendtrans-116.8-10.7-170.7-52.80000113.4S86S86-S88 PolarHBondContact O-N 2.92Å; S86-S88 PolarHBondContact OG-N 2.8Å; S86-S88 VanDerWaalsContact OG-N 3.13Å
89G96.8Very high97.9Very high30 Ų3058.4 Ų58.431%0.30929%0.286SS..  trans170.5-177.4-179.600000114S86 H91S86-G89 PolarHBondContact N-O 3.36Å; S86-G89 PolarHBondContact OG-N 3Å; S86-G89 VanDerWaalsContact OG-N 3.11Å; S86-G89 PolarHBondContact OG-O 3.28Å; G89-H91 PolarHBondContact O-CD2 3.38Å
90T97.9Very high97.8Very high75 Ų7561.9 Ų61.946%0.4630%0.304SS..EExtended strand (participates in β ladder)trans-99.7129.6179.8810000110.2R83 Y84 D85R83-T90 PolarHBondContact NH2-OG1 3.21Å; R83-T90 VanDerWaalsContact NH2-OG1 3.09Å; Y84-T90 WeakPolarHBondContact O-CA 3.26Å; D85-T90 WeakPolarHBondContact OD1-CB 3.14Å; D85-T90 WeakPolarHBondContact OD1-CG2 3.48Å
91H98.1Very high97.8Very high87 Ų8763 Ų6340%0.40331%0.312SS..EExtended strand (participates in β ladder)trans-129.3147.1-177.1-54.1-89.8000111.5R83 Y84 S86 G89R83-H91 WeakPolarHBondContact CA-O 3.5Å; Y84-H91 HydrophobicContact CD1-CB 4.24Å; Y84-H91 WeakPolarHBondContact CD1-O 3.5Å; Y84-H91 HydrophobicContact CE1-CB 3.56Å; Y84-H91 PolarHBondContact N-O 3.21Å; Y84-H91 PolarHBondContact O-N 3.16Å; S86-H91 PolarHBondContact OG-CD2 3.36Å; S86-H91 PolarHBondContact OG-NE2 2.91Å; S86-H91 VanDerWaalsContact OG-NE2 3.15Å; G89-H91 PolarHBondContact O-CD2 3.38Å
92N98.3Very high97.8Very high124 Ų12459.5 Ų59.566%0.66330%0.3SS*.EExtended strand (participates in β ladder)trans-94141.6173.1-64.1-49.1000109.9L82L82-N92 WeakPolarHBondContact O-CA 3.43Å
93M98.3Very high97.7Very high36 Ų3660.7 Ų60.718%0.17731%0.308CS..EExtended strand (participates in β ladder)trans-134.6149.8171.1-65.5-159.7-157.100111.8W81 L82 Y84 M113W81-M93 WeakPolarHBondContact CA-O 3.38Å; L82-M93 HydrophobicContact CD1-CB 4.35Å; L82-M93 HydrophobicContact CD2-CB 3.98Å; L82-M93 HydrophobicContact CG-CB 3.94Å; L82-M93 PolarHBondContact N-O 3.01Å; L82-M93 PolarHBondContact O-N 3.17Å; Y84-M93 HydrophobicContact CD1-CE 3.88Å; Y84-M93 HydrophobicContact CD1-CG 4.26Å; Y84-M93 HydrophobicContact CE1-CE 3.04Å; Y84-M93 HydrophobicContact CE1-CG 3.9Å; Y84-M93 HydrophobicContact CE1-SD 4.23Å; Y84-M93 HydrophobicContact CE2-CE 4.24Å; Y84-M93 WeakPolarHBondContact OH-CE 3.18Å; M93-M113 HydrophobicContact CE-CE 3.84Å; M93-M113 HydrophobicContact CE-SD 4.2Å; M93-M113 HydrophobicContact SD-CE 4.34Å; M93-M113 HydrophobicContact SD-SD 4.04Å
94Y98.4Very high97.7Very high30 Ų3056.4 Ų56.412%0.11830%0.295CS..EExtended strand (participates in β ladder)trans-113.7123.3163.1171.3-103000109.2I80 W81 E96 I132 R139I80-Y94 WeakPolarHBondContact O-CA 3.16Å; W81-Y94 AromaticContact CD1-CD2 3.96Å; W81-Y94 AromaticContact CD2-CD2 3.86Å; W81-Y94 HydrophobicContact CD2-CD2 3.86Å; W81-Y94 HydrophobicContact CD2-CE2 4.22Å; W81-Y94 AromaticContact CE2-CD2 3.51Å; W81-Y94 AromaticContact CE2-CE2 3.74Å; W81-Y94 HydrophobicContact CE3-CD2 4.49Å; W81-Y94 HydrophobicContact CE3-CE2 4.5Å; W81-Y94 HydrophobicContact CG-CD2 4.15Å; W81-Y94 AromaticContact CH2-CE2 3.94Å; W81-Y94 HydrophobicContact CH2-CE2 3.94Å; W81-Y94 AromaticContact CZ2-CD2 3.89Å; W81-Y94 HydrophobicContact CZ2-CD2 3.89Å; W81-Y94 AromaticContact CZ2-CE2 3.6Å; W81-Y94 HydrophobicContact CZ2-CE2 3.6Å; W81-Y94 HydrophobicContact CZ3-CE2 4.37Å; W81-Y94 AromaticContact NE1-CD2 3.57Å; Y94-E96 HydrophobicContact CE1-CG 3.72Å; Y94-E96 WeakPolarHBondContact CE1-OE1 3.41Å; Y94-E96 VanDerWaalsContact OH-CG 3.28Å; Y94-E96 WeakPolarHBondContact OH-CG 3.04Å; Y94-E96 PolarHBondContact OH-OE1 3.5Å; Y94-I132 HydrophobicContact CE2-CD1 4.22Å; Y94-I132 WeakPolarHBondContact OH-CD1 3.49Å; Y94-R139 PolarHBondContact O-NH2 2.78Å
95R98.5Very high97.8Very high41 Ų4155.3 Ų55.316%0.15529%0.291CS..EExtended strand (participates in β ladder)trans-127.3152.9177.9-70.9-168.3168.8-103.9-14.5110.9G79 I80 L82 Y97 D112 H117G79-R95 WeakPolarHBondContact CA-O 3.35Å; I80-R95 PolarHBondContact N-O 2.93Å; I80-R95 PolarHBondContact O-N 3.12Å; L82-R95 HydrophobicContact CD2-CB 4.35Å; L82-R95 HydrophobicContact CD2-CG 4.22Å; R95-Y97 HydrophobicContact CB-CE2 3.66Å; R95-Y97 WeakPolarHBondContact CD-OH 3.45Å; R95-D112 IonicContact CZ-OD2 3Å; R95-D112 IonicContact NH1-OD1 3.69Å; R95-D112 IonicContact NH1-OD2 2.65Å; R95-D112 PolarHBondContact NH1-OD2 3.28Å; R95-H117 PolarHBondContact NH2-NE2 3.01Å; R95-H117 VanDerWaalsContact NH2-NE2 3.17Å
96E98.7Very high97.8Very high13 Ų1352.5 Ų52.56%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-120.7137178.4-65.9176.3-177.900109.8F78 Y94 R138 R139 I142F78-E96 CarbonylContact O-C 3.57Å; F78-E96 VanDerWaalsContact O-CA 3.26Å; F78-E96 WeakPolarHBondContact O-CA 3.48Å; Y94-E96 HydrophobicContact CE1-CG 3.72Å; Y94-E96 WeakPolarHBondContact CE1-OE1 3.41Å; Y94-E96 VanDerWaalsContact OH-CG 3.28Å; Y94-E96 WeakPolarHBondContact OH-CG 3.04Å; Y94-E96 PolarHBondContact OH-OE1 3.5Å; E96-R138 VanDerWaalsContact CD-N 3.32Å; E96-R138 PolarHBondContact OE1-N 3.44Å; E96-R138 PolarHBondContact OE2-N 3.38Å; E96-R139 HydrophobicContact CB-CB 4.26Å; E96-R139 HydrophobicContact CB-CG 3.8Å; E96-R139 HydrophobicContact CG-CG 3.9Å; E96-R139 PolarHBondContact OE2-N 3.11Å; E96-I142 HydrophobicContact CB-CG1 3.83Å
97Y98.7Very high97.9Very high15 Ų1550.7 Ų50.76%0.05926%0.263CS..EExtended strand (participates in β ladder)trans-131.4140.9177.5-62.2-83.7000109.6N77 F78 I80 R95 Q108 C109 D112N77-Y97 CarbonylContact C-O 3.57Å; F78-Y97 PolarHBondContact N-O 3.36Å; F78-Y97 PolarHBondContact O-N 3.13Å; I80-Y97 HydrophobicContact CD1-CD2 3.59Å; I80-Y97 HydrophobicContact CD1-CE2 3.92Å; I80-Y97 HydrophobicContact CG1-CD2 4.16Å; R95-Y97 HydrophobicContact CB-CE2 3.66Å; R95-Y97 WeakPolarHBondContact CD-OH 3.45Å; Y97-Q108 HydrophobicContact CD1-CB 3.8Å; Y97-Q108 HydrophobicContact CE1-CB 4.18Å; Y97-Q108 HydrophobicContact CG-CB 4.45Å; Y97-C109 HydrophobicContact CD2-CB 4.22Å; Y97-C109 HydrophobicContact CE2-CB 3.51Å; Y97-C109 VanDerWaalsContact CZ-CA 3.44Å; Y97-C109 WeakPolarHBondContact OH-CA 3.39Å; Y97-D112 HydrophobicContact CE1-CB 4.07Å; Y97-D112 PolarHBondContact OH-OD2 3.01Å
98R98.5Very high98Very high89 Ų8943.3 Ų43.334%0.33624%0.238SC..EExtended strand (participates in β ladder)trans-104.1114.1174.2-176.3173.517678.2-3.6108.2V75 K76 N77 I142V75-R98 HydrophobicContact CG1-CG 3.57Å; V75-R98 VanDerWaalsContact CG1-CZ 3.42Å; K76-R98 WeakPolarHBondContact O-CA 3.37Å; N77-R98 PolarHBondContact OD1-NH1 2.8Å; R98-I142 HydrophobicContact CB-CD1 4.06Å
99D98.3Very high98.2Very high32 Ų3237.6 Ų37.617%0.17120%0.198CC..EExtended strand (participates in β ladder)trans-153.7171.5-174.8-152.8-21.2000110.7K76 F78 G104 A105 Q108K76-D99 PolarHBondContact N-O 2.81Å; K76-D99 PolarHBondContact O-N 2.82Å; K76-D99 VanDerWaalsContact O-O 3.07Å; F78-D99 HydrophobicContact CD2-CB 4.34Å; F78-D99 HydrophobicContact CE2-CB 4.26Å; F78-D99 WeakPolarHBondContact CE2-O 3.39Å; D99-G104 WeakPolarHBondContact OD2-CA 3.41Å; D99-A105 HydrophobicContact CB-CB 4.11Å; D99-A105 PolarHBondContact OD2-N 3.49Å; D99-Q108 PolarHBondContact OD2-NE2 3.4Å
100L97.8Very high98.2Very high73 Ų7337.1 Ų37.138%0.38219%0.187SC..SBendtrans-82.8-31.9177.2-68.3174.9000112.7P72 V75 K76P72-L100 WeakPolarHBondContact O-CB 3.43Å; V75-L100 HydrophobicContact CB-CD2 4.38Å; V75-L100 HydrophobicContact CG2-CD2 3.65Å; K76-L100 VanDerWaalsContact CE-O 3.27Å; K76-L100 WeakPolarHBondContact CE-O 3.15Å; K76-L100 PolarHBondContact NZ-O 2.86Å
101S98Very high98.3Very high25 Ų2540.4 Ų40.418%0.17519%0.191CC..SBendtrans-132.9153.3-174.4670000113.3E69 F78 S103 G104 A105E69-S101 WeakPolarHBondContact OE2-CA 3.39Å; F78-S101 VanDerWaalsContact CZ-C 3.45Å; S101-S103 VanDerWaalsContact C-N 3.31Å; S101-S103 PolarHBondContact O-N 3.34Å; S101-S103 PolarHBondContact OG-OG 3.48Å; S101-G104 PolarHBondContact O-N 3.45Å; S101-G104 PolarHBondContact OG-N 2.86Å; S101-A105 PolarHBondContact O-N 3.23Å
102T98Very high98.3Very high9 Ų937.4 Ų37.46%0.05518%0.178CC..Hα-helixtrans-61.1-42.4176.2-50.70000111.1F33 E69 F78 A105 V106 V129F33-T102 HydrophobicContact CE1-CG2 3.74Å; F33-T102 HydrophobicContact CZ-CG2 3.69Å; E69-T102 PolarHBondContact OE2-N 2.76Å; E69-T102 PolarHBondContact OE2-OG1 3.02Å; F78-T102 HydrophobicContact CE1-CG2 4.42Å; F78-T102 WeakPolarHBondContact CE1-OG1 3.43Å; T102-A105 PolarHBondContact O-N 3.42Å; T102-V106 WeakPolarHBondContact O-CG2 3.43Å; T102-V106 PolarHBondContact O-N 2.84Å; T102-V129 HydrophobicContact CG2-CB 4.16Å; T102-V129 HydrophobicContact CG2-CG1 3.56Å
103S97.5Very high98.3Very high27 Ų2731.5 Ų31.519%0.18915%0.146CC..Hα-helixtrans-67.4-37.9179.158.30000112.5L7 S101 T107L7-S103 VanDerWaalsContact O-CB 3.3Å; L7-S103 WeakPolarHBondContact O-CB 3.3Å; S101-S103 VanDerWaalsContact C-N 3.31Å; S101-S103 PolarHBondContact O-N 3.34Å; S101-S103 PolarHBondContact OG-OG 3.48Å; S103-T107 WeakPolarHBondContact O-CB 3.32Å; S103-T107 PolarHBondContact O-N 3Å; S103-T107 PolarHBondContact O-OG1 3.25Å
104G97.9Very high98.2Very high9 Ų931.3 Ų31.39%0.09315%0.154CC..Hα-helixtrans-59.2-51.6170.700000111.6D99 S101 V106 T107 Q108D99-G104 WeakPolarHBondContact OD2-CA 3.41Å; S101-G104 PolarHBondContact O-N 3.45Å; S101-G104 PolarHBondContact OG-N 2.86Å; G104-V106 VanDerWaalsContact C-N 3.35Å; G104-V106 PolarHBondContact O-N 3.19Å; G104-T107 CarbonylContact O-C 3.58Å; G104-T107 WeakPolarHBondContact O-CA 3.25Å; G104-T107 VanDerWaalsContact O-CB 3.32Å; G104-T107 WeakPolarHBondContact O-CB 3.25Å; G104-T107 PolarHBondContact O-N 3.33Å; G104-Q108 WeakPolarHBondContact O-CG 3.33Å; G104-Q108 PolarHBondContact O-N 3.07Å
105A98.4Very high98.2Very high0 Ų033.8 Ų33.80%018%0.181CC..Hα-helixtrans-59.6-42.8-179.700000112.5F78 I80 D99 S101 T102 T107 Q108 C109F78-A105 HydrophobicContact CB-CB 3.81Å; F78-A105 HydrophobicContact CD2-CB 3.56Å; F78-A105 HydrophobicContact CE2-CB 4.23Å; F78-A105 HydrophobicContact CG-CB 3.72Å; I80-A105 HydrophobicContact CD1-CB 4.43Å; D99-A105 HydrophobicContact CB-CB 4.11Å; D99-A105 PolarHBondContact OD2-N 3.49Å; S101-A105 PolarHBondContact O-N 3.23Å; T102-A105 PolarHBondContact O-N 3.42Å; A105-T107 VanDerWaalsContact C-N 3.34Å; A105-Q108 PolarHBondContact O-N 2.81Å; A105-C109 PolarHBondContact O-N 2.89Å
106V98.4Very high98.2Very high0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-67.5-36.5175.4175.60000111.4L7 F33 I80 T102 G104 C109 Y110 I126 V129L7-V106 HydrophobicContact CD1-CG1 4.06Å; F33-V106 HydrophobicContact CB-CG1 3.88Å; F33-V106 HydrophobicContact CD1-CB 4.1Å; F33-V106 HydrophobicContact CD1-CG1 4.22Å; F33-V106 HydrophobicContact CD1-CG2 3.98Å; F33-V106 HydrophobicContact CD2-CG1 4.06Å; F33-V106 HydrophobicContact CD2-CG2 4.03Å; F33-V106 HydrophobicContact CE1-CB 4.42Å; F33-V106 HydrophobicContact CE1-CG2 3.84Å; F33-V106 HydrophobicContact CE2-CG2 3.9Å; F33-V106 HydrophobicContact CG-CB 4.16Å; F33-V106 HydrophobicContact CG-CG1 3.78Å; F33-V106 HydrophobicContact CG-CG2 4.07Å; F33-V106 HydrophobicContact CZ-CG2 3.81Å; I80-V106 HydrophobicContact CD1-CG2 3.96Å; T102-V106 WeakPolarHBondContact O-CG2 3.43Å; T102-V106 PolarHBondContact O-N 2.84Å; G104-V106 VanDerWaalsContact C-N 3.35Å; G104-V106 PolarHBondContact O-N 3.19Å; V106-C109 WeakPolarHBondContact O-CA 3.46Å; V106-C109 VanDerWaalsContact O-CB 3.27Å; V106-C109 WeakPolarHBondContact O-CB 3.34Å; V106-C109 PolarHBondContact O-N 3.07Å; V106-C109 VanDerWaalsContact O-N 3.15Å; V106-Y110 HydrophobicContact CG1-CD2 3.85Å; V106-Y110 HydrophobicContact CG1-CE2 3.71Å; V106-Y110 WeakPolarHBondContact O-CD2 3.17Å; V106-Y110 PolarHBondContact O-N 3.36Å; V106-I126 HydrophobicContact CG1-CD1 4.49Å; V106-I126 HydrophobicContact CG1-CG1 4.1Å; V106-V129 HydrophobicContact CG2-CG1 4.43Å; V106-V129 HydrophobicContact CG2-CG2 3.72Å
107T98.4Very high98.1Very high5 Ų542.5 Ų42.53%0.03122%0.216CC..Hα-helixtrans-62-45174.2-56.90000111L7 S103 G104 A105 C109 Y110 R111L7-T107 WeakPolarHBondContact CB-OG1 3.38Å; L7-T107 PolarHBondContact N-OG1 3.46Å; S103-T107 WeakPolarHBondContact O-CB 3.32Å; S103-T107 PolarHBondContact O-N 3Å; S103-T107 PolarHBondContact O-OG1 3.25Å; G104-T107 CarbonylContact O-C 3.58Å; G104-T107 WeakPolarHBondContact O-CA 3.25Å; G104-T107 VanDerWaalsContact O-CB 3.32Å; G104-T107 WeakPolarHBondContact O-CB 3.25Å; G104-T107 PolarHBondContact O-N 3.33Å; A105-T107 VanDerWaalsContact C-N 3.34Å; T107-C109 VanDerWaalsContact C-N 3.27Å; T107-C109 PolarHBondContact O-N 3.35Å; T107-Y110 PolarHBondContact O-N 2.93Å; T107-R111 WeakPolarHBondContact O-CG 3.41Å; T107-R111 PolarHBondContact O-N 2.94Å; T107-R111 VanDerWaalsContact O-N 3.14Å
108Q98.3Very high98Very high70 Ų7051.2 Ų51.233%0.32725%0.249SC..Hα-helixtrans-58.7-41.4172.4-65.6-171.835.700111.1Y97 D99 G104 A105 Y110 R111 D112Y97-Q108 HydrophobicContact CD1-CB 3.8Å; Y97-Q108 HydrophobicContact CE1-CB 4.18Å; Y97-Q108 HydrophobicContact CG-CB 4.45Å; D99-Q108 PolarHBondContact OD2-NE2 3.4Å; G104-Q108 WeakPolarHBondContact O-CG 3.33Å; G104-Q108 PolarHBondContact O-N 3.07Å; A105-Q108 PolarHBondContact O-N 2.81Å; Q108-Y110 PolarHBondContact O-N 3.37Å; Q108-R111 PolarHBondContact O-N 3.02Å; Q108-D112 VanDerWaalsContact O-CB 3.22Å; Q108-D112 WeakPolarHBondContact O-CB 3.38Å; Q108-D112 PolarHBondContact O-N 2.79Å
109C98.4Very high98Very high0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-57.8-45.9176.3-172.40000113.3I80 Y97 A105 V106 T107 D112 M113I80-C109 HydrophobicContact CD1-CB 3.79Å; Y97-C109 HydrophobicContact CD2-CB 4.22Å; Y97-C109 HydrophobicContact CE2-CB 3.51Å; Y97-C109 VanDerWaalsContact CZ-CA 3.44Å; Y97-C109 WeakPolarHBondContact OH-CA 3.39Å; A105-C109 PolarHBondContact O-N 2.89Å; V106-C109 WeakPolarHBondContact O-CA 3.46Å; V106-C109 VanDerWaalsContact O-CB 3.27Å; V106-C109 WeakPolarHBondContact O-CB 3.34Å; V106-C109 PolarHBondContact O-N 3.07Å; V106-C109 VanDerWaalsContact O-N 3.15Å; T107-C109 VanDerWaalsContact C-N 3.27Å; T107-C109 PolarHBondContact O-N 3.35Å; C109-D112 PolarHBondContact O-N 3.01Å; C109-M113 VanDerWaalsContact O-CB 3.32Å; C109-M113 WeakPolarHBondContact O-CB 3.5Å; C109-M113 VanDerWaalsContact O-CG 3.27Å; C109-M113 WeakPolarHBondContact O-CG 3.32Å; C109-M113 PolarHBondContact O-N 2.92Å
110Y98.4Very high97.9Very high20 Ų2054.3 Ų54.38%0.07826%0.26CS..Hα-helixtrans-63.6-40.7176.6-85.2-78.7000112.3A3 L7 V106 T107 Q108 G114 A121 I124 I126A3-Y110 HydrophobicContact CB-CD1 4.27Å; A3-Y110 HydrophobicContact CB-CG 4.21Å; L7-Y110 HydrophobicContact CD1-CD2 3.39Å; L7-Y110 HydrophobicContact CD1-CE2 3.59Å; L7-Y110 HydrophobicContact CD1-CG 4.34Å; V106-Y110 HydrophobicContact CG1-CD2 3.85Å; V106-Y110 HydrophobicContact CG1-CE2 3.71Å; V106-Y110 WeakPolarHBondContact O-CD2 3.17Å; V106-Y110 PolarHBondContact O-N 3.36Å; T107-Y110 PolarHBondContact O-N 2.93Å; Q108-Y110 PolarHBondContact O-N 3.37Å; Y110-G114 PolarHBondContact O-N 2.7Å; Y110-A121 HydrophobicContact CD1-CB 3.81Å; Y110-A121 HydrophobicContact CE1-CB 3.82Å; Y110-I124 HydrophobicContact CD1-CB 4.33Å; Y110-I124 HydrophobicContact CD1-CD1 3.75Å; Y110-I124 HydrophobicContact CD1-CG2 4.45Å; Y110-I124 HydrophobicContact CE1-CB 3.76Å; Y110-I124 HydrophobicContact CE1-CD1 4.06Å; Y110-I124 HydrophobicContact CE1-CG2 3.93Å; Y110-I126 HydrophobicContact CE2-CD1 4.44Å; Y110-I126 HydrophobicContact CE2-CG1 4.06Å
111R98.2Very high97.9Very high143 Ų14351.6 Ų51.654%0.5425%0.248SC..Hα-helixtrans-65.1-44.6177.3-68.8177.7-176.2137.44.6111.7G5 T107 Q108 G114 A115G5-R111 PolarHBondContact O-NH2 2.7Å; T107-R111 WeakPolarHBondContact O-CG 3.41Å; T107-R111 PolarHBondContact O-N 2.94Å; T107-R111 VanDerWaalsContact O-N 3.14Å; Q108-R111 PolarHBondContact O-N 3.02Å; R111-G114 PolarHBondContact O-N 3.44Å; R111-A115 WeakPolarHBondContact O-CB 3.19Å; R111-A115 PolarHBondContact O-N 3.3Å
112D98.1Very high97.8Very high24 Ų2455.4 Ų55.413%0.12826%0.263CS..Hα-helixtrans-66.6-42.3-179.2-178.834.2000112.5R95 Y97 Q108 C109 G114 A115 R116R95-D112 IonicContact CZ-OD2 3Å; R95-D112 IonicContact NH1-OD1 3.69Å; R95-D112 IonicContact NH1-OD2 2.65Å; R95-D112 PolarHBondContact NH1-OD2 3.28Å; Y97-D112 HydrophobicContact CE1-CB 4.07Å; Y97-D112 PolarHBondContact OH-OD2 3.01Å; Q108-D112 VanDerWaalsContact O-CB 3.22Å; Q108-D112 WeakPolarHBondContact O-CB 3.38Å; Q108-D112 PolarHBondContact O-N 2.79Å; C109-D112 PolarHBondContact O-N 3.01Å; D112-G114 VanDerWaalsContact C-N 3.32Å; D112-G114 PolarHBondContact O-N 2.94Å; D112-A115 PolarHBondContact O-N 3.02Å; D112-R116 WeakPolarHBondContact O-CB 3.27Å; D112-R116 PolarHBondContact O-N 3.47Å; D112-R116 WeakPolarHBondContact OD1-CD 3.48Å; D112-R116 IonicContact OD1-CZ 2.86Å; D112-R116 IonicContact OD1-NE 2.69Å; D112-R116 PolarHBondContact OD1-NE 3Å; D112-R116 IonicContact OD1-NH1 3.14Å; D112-R116 PolarHBondContact OD1-NH1 3.42Å; D112-R116 IonicContact OD2-NH1 3.62Å; D112-R116 PolarHBondContact OD2-NH1 3.15Å
113M98.3Very high97.8Very high0 Ų055.5 Ų55.50%026%0.264CS..Hα-helixtrans-64.5-36.9173.5-75-57.9-61.500112.4L82 Y84 M93 C109 H117 R118 A119 I124L82-M113 HydrophobicContact CD1-CE 3.85Å; L82-M113 HydrophobicContact CD1-CG 3.96Å; L82-M113 HydrophobicContact CD1-SD 3.82Å; Y84-M113 HydrophobicContact CD1-CE 3.85Å; Y84-M113 HydrophobicContact CD2-CE 3.71Å; Y84-M113 HydrophobicContact CE1-CE 4.2Å; Y84-M113 HydrophobicContact CE2-CE 4.03Å; Y84-M113 HydrophobicContact CG-CE 3.6Å; M93-M113 HydrophobicContact CE-CE 3.84Å; M93-M113 HydrophobicContact CE-SD 4.2Å; M93-M113 HydrophobicContact SD-CE 4.34Å; M93-M113 HydrophobicContact SD-SD 4.04Å; C109-M113 VanDerWaalsContact O-CB 3.32Å; C109-M113 WeakPolarHBondContact O-CB 3.5Å; C109-M113 VanDerWaalsContact O-CG 3.27Å; C109-M113 WeakPolarHBondContact O-CG 3.32Å; C109-M113 PolarHBondContact O-N 2.92Å; M113-H117 HydrophobicContact CE-CB 4.19Å; M113-H117 CarbonylContact O-C 3.59Å; M113-H117 WeakPolarHBondContact O-CA 3.18Å; M113-H117 WeakPolarHBondContact O-CB 3.49Å; M113-H117 PolarHBondContact O-N 3.49Å; M113-H117 VanDerWaalsContact O-N 3.08Å; M113-R118 PolarHBondContact O-N 3.37Å; M113-A119 HydrophobicContact CB-CB 4.25Å; M113-A119 HydrophobicContact CE-CB 3.97Å; M113-A119 PolarHBondContact O-N 2.91Å; M113-A119 VanDerWaalsContact O-N 3.17Å; M113-I124 HydrophobicContact CB-CD1 3.51Å; M113-I124 HydrophobicContact CB-CG1 4.38Å; M113-I124 HydrophobicContact CG-CD1 4.2Å
114G97.6Very high97.8Very high32 Ų3254.2 Ų54.233%0.3326%0.255SS..Hα-helixtrans-65.6-42.5171.500000112.8Y110 R111 D112 R118Y110-G114 PolarHBondContact O-N 2.7Å; R111-G114 PolarHBondContact O-N 3.44Å; D112-G114 VanDerWaalsContact C-N 3.32Å; D112-G114 PolarHBondContact O-N 2.94Å; G114-R118 WeakPolarHBondContact O-CA 3.27Å; G114-R118 PolarHBondContact O-N 3.29Å; G114-R118 VanDerWaalsContact O-N 3.14Å
115A97.9Very high97.8Very high83 Ų8355 Ų5569%0.68626%0.256SS*.Hα-helixtrans-70-48.2-177.900000112.8R111 D112R111-A115 WeakPolarHBondContact O-CB 3.19Å; R111-A115 PolarHBondContact O-N 3.3Å; D112-A115 PolarHBondContact O-N 3.02Å
116R97.7Very high97.8Very high162 Ų16256.2 Ų56.261%0.61126%0.263SS*.Hα-helixtrans-85.3-36.9-173.4-67.4-177.6171.2138.8-6.2113.6D112D112-R116 WeakPolarHBondContact O-CB 3.27Å; D112-R116 PolarHBondContact O-N 3.47Å; D112-R116 WeakPolarHBondContact OD1-CD 3.48Å; D112-R116 IonicContact OD1-CZ 2.86Å; D112-R116 IonicContact OD1-NE 2.69Å; D112-R116 PolarHBondContact OD1-NE 3Å; D112-R116 IonicContact OD1-NH1 3.14Å; D112-R116 PolarHBondContact OD1-NH1 3.42Å; D112-R116 IonicContact OD2-NH1 3.62Å; D112-R116 PolarHBondContact OD2-NH1 3.15Å
117H97.5Very high97.7Very high75 Ų7562.4 Ų62.435%0.34729%0.293SS..Hα-helixtrans-117.4-1.1-170.5-61-71.9000113.5Y84 R95 M113 A119Y84-H117 HydrophobicContact CE2-CB 4.41Å; R95-H117 PolarHBondContact NH2-NE2 3.01Å; R95-H117 VanDerWaalsContact NH2-NE2 3.17Å; M113-H117 HydrophobicContact CE-CB 4.19Å; M113-H117 CarbonylContact O-C 3.59Å; M113-H117 WeakPolarHBondContact O-CA 3.18Å; M113-H117 WeakPolarHBondContact O-CB 3.49Å; M113-H117 PolarHBondContact O-N 3.49Å; M113-H117 VanDerWaalsContact O-N 3.08Å; H117-A119 HydrophobicContact CB-CB 4.27Å; H117-A119 PolarHBondContact O-N 3.07Å
118R97.4Very high97.7Very high198 Ų19867.3 Ų67.375%0.74731%0.314SS*.  trans52.424.6-171.1-56.1-178.6-179.5-135.54.3112.5M113 G114 R120M113-R118 PolarHBondContact O-N 3.37Å; G114-R118 WeakPolarHBondContact O-CA 3.27Å; G114-R118 PolarHBondContact O-N 3.29Å; G114-R118 VanDerWaalsContact O-N 3.14Å; R118-R120 PolarHBondContact O-N 3.46Å
119A97.5Very high97.7Very high9 Ų964.5 Ų64.57%0.07430%0.302CS..  trans-73.5126.5-17900000109Y84 M113 H117 I124Y84-A119 HydrophobicContact CD2-CB 3.97Å; M113-A119 HydrophobicContact CB-CB 4.25Å; M113-A119 HydrophobicContact CE-CB 3.97Å; M113-A119 PolarHBondContact O-N 2.91Å; M113-A119 VanDerWaalsContact O-N 3.17Å; H117-A119 HydrophobicContact CB-CB 4.27Å; H117-A119 PolarHBondContact O-N 3.07Å; A119-I124 HydrophobicContact CB-CD1 3.95Å; A119-I124 HydrophobicContact CB-CG1 3.94Å
120R97.2Very high97.6Very high176 Ų17668.9 Ų68.966%0.66432%0.322SS*.  trans-83.2153.4-178.6-65.5-176.9178.7114.8-6.1109.5R118 H122 S123 I124R118-R120 PolarHBondContact O-N 3.46Å; R120-H122 VanDerWaalsContact CB-CE1 3.49Å; R120-H122 WeakPolarHBondContact CB-CE1 3.32Å; R120-H122 WeakPolarHBondContact CD-CE1 3.43Å; R120-H122 PolarHBondContact O-N 3.04Å; R120-S123 PolarHBondContact N-OG 2.66Å; R120-S123 PolarHBondContact O-N 3.33Å; R120-S123 PolarHBondContact O-OG 2.65Å; R120-I124 PolarHBondContact O-N 2.9Å
121A97Very high97.6Very high17 Ų1771.4 Ų71.414%0.1434%0.339CS..THydrogen-bonded Turntrans-59.3-24.7-177.800000114.2A3 Y110A3-A121 HydrophobicContact CB-CB 3.81Å; Y110-A121 HydrophobicContact CD1-CB 3.81Å; Y110-A121 HydrophobicContact CE1-CB 3.82Å
122H96.1Very high97.6Very high104 Ų10465.6 Ų65.648%0.48132%0.319SS..THydrogen-bonded Turntrans-75.8-26.2174.762.7-108.2000113.7R120R120-H122 VanDerWaalsContact CB-CE1 3.49Å; R120-H122 WeakPolarHBondContact CB-CE1 3.32Å; R120-H122 WeakPolarHBondContact CD-CE1 3.43Å; R120-H122 PolarHBondContact O-N 3.04Å
123S96.7Very high97.6Very high12 Ų1267.2 Ų67.28%0.08434%0.336CS..THydrogen-bonded Turntrans-88.9-7.3179.268.50000112.9Y84 D85 R120Y84-S123 CarbonylContact C-O 3.6Å; Y84-S123 WeakPolarHBondContact CA-O 3.48Å; D85-S123 PolarHBondContact N-O 3.28Å; D85-S123 PolarHBondContact O-OG 2.97Å; R120-S123 PolarHBondContact N-OG 2.66Å; R120-S123 PolarHBondContact O-N 3.33Å; R120-S123 PolarHBondContact O-OG 2.65Å
124I97.9Very high97.6Very high0 Ų069.6 Ų69.60%036%0.356CS..EExtended strand (participates in β ladder)trans-99.2128.2178.4-59.1159.8000109.7L82 Y110 M113 A119 R120 I126L82-I124 HydrophobicContact CD1-CG2 4.16Å; Y110-I124 HydrophobicContact CD1-CB 4.33Å; Y110-I124 HydrophobicContact CD1-CD1 3.75Å; Y110-I124 HydrophobicContact CD1-CG2 4.45Å; Y110-I124 HydrophobicContact CE1-CB 3.76Å; Y110-I124 HydrophobicContact CE1-CD1 4.06Å; Y110-I124 HydrophobicContact CE1-CG2 3.93Å; M113-I124 HydrophobicContact CB-CD1 3.51Å; M113-I124 HydrophobicContact CB-CG1 4.38Å; M113-I124 HydrophobicContact CG-CD1 4.2Å; A119-I124 HydrophobicContact CB-CD1 3.95Å; A119-I124 HydrophobicContact CB-CG1 3.94Å; R120-I124 PolarHBondContact O-N 2.9Å; I124-I126 HydrophobicContact CG2-CD1 4.02Å
125Q97.7Very high97.6Very high24 Ų2474.6 Ų74.611%0.11237%0.374CS..EExtended strand (participates in β ladder)trans-119113.3176.5-57.2176.811.200109.1Y46 F47 L82 R83 M127Y46-Q125 PolarHBondContact OH-NE2 3.26Å; F47-Q125 HydrophobicContact CE1-CB 4.14Å; F47-Q125 HydrophobicContact CE1-CG 4.11Å; F47-Q125 HydrophobicContact CZ-CB 4.49Å; L82-Q125 CarbonylContact C-O 3.54Å; L82-Q125 VanDerWaalsContact CA-O 3.27Å; L82-Q125 WeakPolarHBondContact CA-O 3.37Å; R83-Q125 HydrophobicContact CB-CB 4.35Å; R83-Q125 PolarHBondContact N-O 3.13Å; R83-Q125 PolarHBondContact O-N 2.91Å; Q125-M127 PolarHBondContact O-N 2.94Å
126I98.1Very high97.6Very high27 Ų2777.8 Ų77.814%0.13837%0.373CS..EExtended strand (participates in β ladder)trans-81.8115.6174.3-55.4-57.8000108.3F33 I80 L82 V106 Y110 I124 V129F33-I126 HydrophobicContact CD2-CG2 4.29Å; F33-I126 HydrophobicContact CE2-CG2 4.19Å; I80-I126 HydrophobicContact CG2-CD1 3.91Å; I80-I126 HydrophobicContact CG2-CG2 4.23Å; L82-I126 HydrophobicContact CB-CD1 4.07Å; V106-I126 HydrophobicContact CG1-CD1 4.49Å; V106-I126 HydrophobicContact CG1-CG1 4.1Å; Y110-I126 HydrophobicContact CE2-CD1 4.44Å; Y110-I126 HydrophobicContact CE2-CG1 4.06Å; I124-I126 HydrophobicContact CG2-CD1 4.02Å; I126-V129 HydrophobicContact CG2-CG2 3.5Å
127M96.9Very high97.6Very high129 Ų12970.4 Ų70.464%0.63535%0.346SS*.EExtended strand (participates in β ladder)trans-92.4-43.8-177.2-61.6178.568.100111.6W81 R83 Q125W81-M127 PolarHBondContact O-N 3.48Å; R83-M127 HydrophobicContact CB-SD 4.01Å; Q125-M127 PolarHBondContact O-N 2.94Å
128K97.9Very high97.7Very high109 Ų10975 Ų7547%0.47436%0.36SS..EExtended strand (participates in β ladder)trans-149.1141.1-177.6-173.3179.9177.5-172.10110.1I80 W81I80-K128 WeakPolarHBondContact CA-O 3.44Å; W81-K128 HydrophobicContact CB-CB 4.24Å; W81-K128 HydrophobicContact CD2-CB 4.33Å; W81-K128 HydrophobicContact CD2-CD 4.43Å; W81-K128 HydrophobicContact CE3-CB 3.79Å; W81-K128 HydrophobicContact CE3-CD 3.95Å; W81-K128 HydrophobicContact CE3-CG 3.84Å; W81-K128 HydrophobicContact CZ3-CD 4.07Å; W81-K128 HydrophobicContact CZ3-CG 4.11Å; W81-K128 PolarHBondContact N-O 3.35Å; W81-K128 PolarHBondContact O-N 3.45Å
129V98.3Very high97.7Very high11 Ų1170.2 Ų70.27%0.06734%0.343CS..EExtended strand (participates in β ladder)trans-130.7127.4170.8-174.10000108.3R31 F33 F78 G79 I80 T102 V106 I126R31-V129 PolarHBondContact NH1-O 2.81Å; F33-V129 HydrophobicContact CE2-CG2 3.81Å; F33-V129 HydrophobicContact CZ-CB 4.44Å; F33-V129 HydrophobicContact CZ-CG2 3.99Å; F78-V129 HydrophobicContact CD1-CG1 4.18Å; G79-V129 WeakPolarHBondContact O-CA 3.38Å; I80-V129 HydrophobicContact CG1-CG1 4.03Å; I80-V129 HydrophobicContact CG1-CG2 4.2Å; I80-V129 HydrophobicContact CG2-CG2 4.4Å; T102-V129 HydrophobicContact CG2-CB 4.16Å; T102-V129 HydrophobicContact CG2-CG1 3.56Å; V106-V129 HydrophobicContact CG2-CG1 4.43Å; V106-V129 HydrophobicContact CG2-CG2 3.72Å; I126-V129 HydrophobicContact CG2-CG2 3.5Å
130Q97.9Very high97.7Very high91 Ų9174.6 Ų74.643%0.42537%0.37SS..EExtended strand (participates in β ladder)trans-139.7142.2-176.5-169.8173.4-9.700110.9F78 G79 W81F78-Q130 CarbonylContact C-O 3.42Å; F78-Q130 WeakPolarHBondContact CA-O 3.18Å; G79-Q130 PolarHBondContact N-O 3.08Å; G79-Q130 PolarHBondContact O-N 3.03Å; W81-Q130 HydrophobicContact CH2-CB 4.17Å; W81-Q130 HydrophobicContact CZ3-CB 3.74Å
131V98.3Very high97.7Very high73 Ų7369.1 Ų69.144%0.44236%0.362SS..EExtended strand (participates in β ladder)trans-74.8134.8169.1179.20000109.3K76 N77 F78K76-V131 HydrophobicContact CB-CG1 4.11Å; K76-V131 HydrophobicContact CD-CG1 4.18Å; K76-V131 HydrophobicContact CD-CG2 4.01Å; K76-V131 HydrophobicContact CG-CG1 3.96Å; N77-V131 CarbonylContact O-C 3.59Å; N77-V131 WeakPolarHBondContact O-CA 3.36Å; F78-V131 HydrophobicContact CD1-CG2 3.85Å; F78-V131 HydrophobicContact CE1-CG2 3.49Å; F78-V131 VanDerWaalsContact CE1-CG2 3.49Å; F78-V131 HydrophobicContact CZ-CG2 4.22Å
132I98.2Very high97.8Very high22 Ų2269.1 Ų69.111%0.11336%0.36CS..EExtended strand (participates in β ladder)trans-121.5133.2-174.3-59.3-174.2000109.5N77 G79 W81 Y94 K136N77-I132 PolarHBondContact O-N 3.17Å; G79-I132 VanDerWaalsContact CA-CD1 3.45Å; W81-I132 HydrophobicContact CH2-CD1 4.42Å; Y94-I132 HydrophobicContact CE2-CD1 4.22Å; Y94-I132 WeakPolarHBondContact OH-CD1 3.49Å; I132-K136 HydrophobicContact CG2-CB 3.61Å
133A98.2Very high97.9Very high58 Ų5869.7 Ų69.748%0.47936%0.361SS..  trans-67.3149.6173.400000111N135 K136 C137A133-N135 VanDerWaalsContact C-N 3.26Å; A133-N135 WeakPolarHBondContact CB-OD1 3.32Å; A133-N135 PolarHBondContact O-N 2.99Å; A133-N135 VanDerWaalsContact O-N 3.17Å; A133-K136 PolarHBondContact O-N 3.28Å; A133-C137 PolarHBondContact O-N 3.02Å
134A97.8Very high98Very high50 Ų5075.2 Ų75.241%0.41339%0.385SS..G310 helixtrans-53.4-41-174.200000113.4K136 C137A134-K136 PolarHBondContact O-N 3.5Å; A134-C137 WeakPolarHBondContact O-CB 3.44Å; A134-C137 PolarHBondContact O-N 3.3Å
135N97.5Very high97.9Very high136 Ų13679.5 Ų79.573%0.72740%0.404SS*.G310 helixtrans-65.3-20.9178.964.7-15000114.7A133A133-N135 VanDerWaalsContact C-N 3.26Å; A133-N135 WeakPolarHBondContact CB-OD1 3.32Å; A133-N135 PolarHBondContact O-N 2.99Å; A133-N135 VanDerWaalsContact O-N 3.17Å
136K98.1Very high97.9Very high150 Ų15081.3 Ų81.365%0.65241%0.412SS*.G310 helixtrans-97.5-1.4179.5-69.8-179.6-178.6-178.10113I132 A133 A134I132-K136 HydrophobicContact CG2-CB 3.61Å; A133-K136 PolarHBondContact O-N 3.28Å; A134-K136 PolarHBondContact O-N 3.5Å
137C98.4Very high97.9Very high8 Ų884 Ų845%0.05443%0.427CS..  trans-70.3134175.8-71.50000111N77 A133 A134 I142 K143N77-C137 VanDerWaalsContact CB-SG 3.6Å; N77-C137 PolarHBondContact ND2-SG 2.9Å; A133-C137 PolarHBondContact O-N 3.02Å; A134-C137 WeakPolarHBondContact O-CB 3.44Å; A134-C137 PolarHBondContact O-N 3.3Å; C137-I142 HydrophobicContact CB-CG2 4.44Å; C137-K143 HydrophobicContact CB-CG 4.2Å
138R97.8Very high97.9Very high170 Ų17083.6 Ų83.664%0.64244%0.437SS*.  trans-103.7-24.3-176.4-61.7175.366.3-175.74.2112.8E96 P140E96-R138 VanDerWaalsContact CD-N 3.32Å; E96-R138 PolarHBondContact OE1-N 3.44Å; E96-R138 PolarHBondContact OE2-N 3.38Å; R138-P140 WeakPolarHBondContact O-CD 3.49Å
139R98.1Very high98Very high99 Ų9986.1 Ų86.137%0.37445%0.448SS..  trans-86.8120.8-172.8-59.3-56178.3-152.43110.9Y94 E96 A141 I142 K143Y94-R139 PolarHBondContact O-NH2 2.78Å; E96-R139 HydrophobicContact CB-CB 4.26Å; E96-R139 HydrophobicContact CB-CG 3.8Å; E96-R139 HydrophobicContact CG-CG 3.9Å; E96-R139 PolarHBondContact OE2-N 3.11Å; R139-A141 PolarHBondContact O-N 3.05Å; R139-I142 HydrophobicContact CB-CB 4.42Å; R139-I142 HydrophobicContact CB-CG1 4.05Å; R139-I142 WeakPolarHBondContact O-CB 3.33Å; R139-I142 PolarHBondContact O-N 3.25Å; R139-K143 PolarHBondContact O-N 2.86Å
140P98.3Very high97.9Very high101 Ų10188.9 Ų88.966%0.65646%0.462SS*.Hα-helixtrans-54.9-38.9179.1-2734.8000113.2R138 I142 K143 Q144R138-P140 WeakPolarHBondContact O-CD 3.49Å; P140-I142 PolarHBondContact O-N 2.77Å; P140-I142 VanDerWaalsContact O-N 3.13Å; P140-K143 PolarHBondContact O-N 2.99Å; P140-K143 VanDerWaalsContact O-N 3.12Å; P140-Q144 PolarHBondContact O-N 3.47Å
141A97.5Very high97.9Very high60 Ų6095.3 Ų95.350%0.49648%0.482SS..Hα-helixtrans-59.7-23.6176.600000114.1R139 Q144 F145R139-A141 PolarHBondContact O-N 3.05Å; A141-Q144 WeakPolarHBondContact O-CG 3.48Å; A141-Q144 PolarHBondContact O-NE2 3.45Å; A141-Q144 VanDerWaalsContact O-NE2 3.07Å; A141-F145 VanDerWaalsContact O-CD2 3.25Å; A141-F145 WeakPolarHBondContact O-CD2 3.22Å; A141-F145 VanDerWaalsContact O-CE2 3.25Å; A141-F145 WeakPolarHBondContact O-CE2 3.41Å
142I98.1Very high97.9Very high18 Ų1898.5 Ų98.59%0.09249%0.49CS..Hα-helixtrans-91.2-42.8173.7-58.6-58.9000110.4N77 E96 R98 C137 R139 P140 Q144 F145 H146N77-I142 HydrophobicContact CB-CG2 4.38Å; E96-I142 HydrophobicContact CB-CG1 3.83Å; R98-I142 HydrophobicContact CB-CD1 4.06Å; C137-I142 HydrophobicContact CB-CG2 4.44Å; R139-I142 HydrophobicContact CB-CB 4.42Å; R139-I142 HydrophobicContact CB-CG1 4.05Å; R139-I142 WeakPolarHBondContact O-CB 3.33Å; R139-I142 PolarHBondContact O-N 3.25Å; P140-I142 PolarHBondContact O-N 2.77Å; P140-I142 VanDerWaalsContact O-N 3.13Å; I142-Q144 VanDerWaalsContact C-N 3.3Å; I142-Q144 PolarHBondContact O-N 3.46Å; I142-F145 PolarHBondContact O-N 3.24Å; I142-H146 PolarHBondContact O-NE2 3.03Å
143K98.3Very high97.9Very high116 Ų116102.3 Ų102.350%0.50452%0.516SS..Hα-helixtrans-61.3-34.1-179.3-67.5-178.269.3177.60113.4C137 R139 P140 F145 H146C137-K143 HydrophobicContact CB-CG 4.2Å; R139-K143 PolarHBondContact O-N 2.86Å; P140-K143 PolarHBondContact O-N 2.99Å; P140-K143 VanDerWaalsContact O-N 3.12Å; K143-F145 PolarHBondContact O-N 2.87Å; K143-F145 VanDerWaalsContact O-N 3.09Å; K143-H146 WeakPolarHBondContact O-CB 3.39Å; K143-H146 PolarHBondContact O-N 2.97Å
144Q97.8Very high97.8Very high127 Ų127104.4 Ų104.459%0.59352%0.519SS*.THydrogen-bonded Turntrans-59.5-22.2178.268.8-178.3-18.400113.5P140 A141 I142 H146P140-Q144 PolarHBondContact O-N 3.47Å; A141-Q144 WeakPolarHBondContact O-CG 3.48Å; A141-Q144 PolarHBondContact O-NE2 3.45Å; A141-Q144 VanDerWaalsContact O-NE2 3.07Å; I142-Q144 VanDerWaalsContact C-N 3.3Å; I142-Q144 PolarHBondContact O-N 3.46Å; Q144-H146 VanDerWaalsContact C-N 3.33Å
145F97.9Very high97.7Very high91 Ų91106.8 Ų106.840%0.39953%0.53SS..THydrogen-bonded Turntrans-89.44.2177.2-64.7-70.6000113.3A141 I142 K143 D147 I150A141-F145 VanDerWaalsContact O-CD2 3.25Å; A141-F145 WeakPolarHBondContact O-CD2 3.22Å; A141-F145 VanDerWaalsContact O-CE2 3.25Å; A141-F145 WeakPolarHBondContact O-CE2 3.41Å; I142-F145 PolarHBondContact O-N 3.24Å; K143-F145 PolarHBondContact O-N 2.87Å; K143-F145 VanDerWaalsContact O-N 3.09Å; F145-D147 VanDerWaalsContact C-N 3.33Å; F145-D147 PolarHBondContact O-N 2.86Å; F145-I150 HydrophobicContact CD1-CD1 3.97Å
146H97.6Very high97.7Very high61 Ų61106.3 Ų106.328%0.28252%0.524SS..  trans-95.960.7179.6-58.8168.9000110.4N77 I142 K143 Q144N77-H146 PolarHBondContact ND2-CE1 3.21Å; N77-H146 PolarHBondContact ND2-NE2 3.14Å; N77-H146 PolarHBondContact OD1-NE2 2.84Å; I142-H146 PolarHBondContact O-NE2 3.03Å; K143-H146 WeakPolarHBondContact O-CB 3.39Å; K143-H146 PolarHBondContact O-N 2.97Å; Q144-H146 VanDerWaalsContact C-N 3.33Å
147D97.6Very high97.5Very high83 Ų83104.3 Ų104.344%0.44451%0.512SS..  trans-130.8128175.2175.418.1000110F145 K149 I150F145-D147 VanDerWaalsContact C-N 3.33Å; F145-D147 PolarHBondContact O-N 2.86Å; D147-K149 VanDerWaalsContact C-N 3.29Å; D147-K149 PolarHBondContact OD1-N 3.3Å; D147-I150 HydrophobicContact CB-CB 4.06Å; D147-I150 WeakPolarHBondContact O-CB 3.31Å; D147-I150 PolarHBondContact O-N 3.14Å; D147-I150 WeakPolarHBondContact OD2-CA 3.49Å; D147-I150 PolarHBondContact OD2-N 3.23Å
148S97.4Very high97.4Very high121 Ų121107.6 Ų107.685%0.84653%0.531SS*.THydrogen-bonded Turntrans-70.3-25177.864.50000113.2
149K98.3Very high97.2Very high162 Ų162103.3 Ų103.370%0.70452%0.521SS*.THydrogen-bonded Turntrans-10822.7179.3-61.8-178.7-176.81780111.6D147 R151D147-K149 VanDerWaalsContact C-N 3.29Å; D147-K149 PolarHBondContact OD1-N 3.3Å; K149-R151 WeakPolarHBondContact O-CG 3.19Å; K149-R151 PolarHBondContact O-N 3.05Å
150I97.8Very high97.1Very high69 Ų69109.5 Ų109.535%0.35454%0.544SS..  trans-54.2126-175.6-167.2169.5000111.1F145 D147 F152F145-I150 HydrophobicContact CD1-CD1 3.97Å; D147-I150 HydrophobicContact CB-CB 4.06Å; D147-I150 WeakPolarHBondContact O-CB 3.31Å; D147-I150 PolarHBondContact O-N 3.14Å; D147-I150 WeakPolarHBondContact OD2-CA 3.49Å; D147-I150 PolarHBondContact OD2-N 3.23Å; I150-F152 HydrophobicContact CD1-CD1 4.34Å; I150-F152 HydrophobicContact CD1-CE1 4.1Å; I150-F152 HydrophobicContact CG1-CD1 4.01Å; I150-F152 HydrophobicContact CG1-CE1 4.11Å
151R97.8Very high96.9Very high226 Ų226112.7 Ų112.785%0.85354%0.543SS*.  trans-141.2132.6179.6-71.2170.2-170.9-165.80.6108.7K149K149-R151 WeakPolarHBondContact O-CG 3.19Å; K149-R151 PolarHBondContact O-N 3.05Å
152F97.6Very high96.8Very high140 Ų140115.4 Ų115.461%0.61455%0.546SS*.  trans-152.1138.8173.350.8-91.3000109.6I150I150-F152 HydrophobicContact CD1-CD1 4.34Å; I150-F152 HydrophobicContact CD1-CE1 4.1Å; I150-F152 HydrophobicContact CG1-CD1 4.01Å; I150-F152 HydrophobicContact CG1-CE1 4.11Å
153P97.4Very high96.7Very high102 Ų102121 Ų12166%0.66257%0.571SS**  trans-73.9171.1168.732.4-34000110.5P155P153-P155 HydrophobicContact CG-CG 4.33Å; P153-P155 WeakPolarHBondContact O-CD 3.37Å
154L96.9Very high96.5Very high102 Ų102122.6 Ų122.653%0.53458%0.578SS.*  trans-105.889.4163.3-65.3179000107.8H156 R157L154-H156 VanDerWaalsContact C-N 3.3Å; L154-H156 PolarHBondContact O-N 2.83Å; L154-R157 HydrophobicContact CB-CG 4.23Å
155P96.3Very high96.3Very high101 Ų101120.3 Ų120.366%0.65657%0.574SS**  trans-63.4-32-162.5-2434.1000114.7P153P153-P155 HydrophobicContact CG-CG 4.33Å; P153-P155 WeakPolarHBondContact O-CD 3.37Å
156H96.3Very high96.2Very high126 Ų126124.5 Ų124.558%0.58359%0.587SS**  trans-137.5110.1-177.4-177.5-106.9000110.2L154L154-H156 VanDerWaalsContact C-N 3.3Å; L154-H156 PolarHBondContact O-N 2.83Å
157R95.5Very high96.2Very high107 Ų107130 Ų13040%0.40461%0.611SS.*  trans-102.999.8-179-58.3-169.3-163.1-176.111.6110.3L154 L159 T174 Y176L154-R157 HydrophobicContact CB-CG 4.23Å; R157-L159 PolarHBondContact O-N 3.21Å; R157-T174 PolarHBondContact N-O 2.83Å; R157-Y176 HydrophobicContact CB-CD2 4.05Å; R157-Y176 HydrophobicContact CB-CE2 4.42Å; R157-Y176 HydrophobicContact CG-CD2 4.37Å; R157-Y176 PolarHBondContact NH2-O 2.85Å
158V94.4Very high96.1Very high77 Ų77130.4 Ų130.447%0.46762%0.616SS.*  trans-67.7128.2177.9-178.20000110.5R160V158-R160 PolarHBondContact O-N 3.39Å
159L95Very high96.1Very high81 Ų81131.5 Ų131.542%0.42462%0.618SS.*  trans-62.3116.8171.1-179.971.1000109.9R157 Q162 P172R157-L159 PolarHBondContact O-N 3.21Å; L159-Q162 VanDerWaalsContact O-CG 3.28Å; L159-Q162 WeakPolarHBondContact O-CG 3.34Å; L159-Q162 PolarHBondContact O-NE2 3.03Å; L159-P172 HydrophobicContact CB-CB 4.46Å; L159-P172 HydrophobicContact CD2-CB 4.19Å
160R95.6Very high96Very high228 Ų228131.7 Ų131.786%0.8662%0.619SS**SBendtrans-81-33.7177-65.7-66.2-174.4177.6-1.2112.9V158 Q162V158-R160 PolarHBondContact O-N 3.39Å; R160-Q162 VanDerWaalsContact C-N 3.28Å; R160-Q162 PolarHBondContact O-N 2.92Å
161R95.1Very high95.9Very high169 Ų169139.8 Ų139.864%0.63865%0.645SS**  trans-88.959.2-174.3-156.3-178.572.9-171.70.6112H163 K164R161-H163 PolarHBondContact O-N 3.44Å; R161-K164 HydrophobicContact CG-CB 3.88Å; R161-K164 PolarHBondContact NE-O 3.17Å; R161-K164 PolarHBondContact NH2-O 3.4Å; R161-K164 VanDerWaalsContact NH2-O 3.1Å; R161-K164 PolarHBondContact O-N 3.19Å
162Q94.4Very high95.8Very high116 Ų116133.2 Ų133.254%0.54263%0.631SS.*THydrogen-bonded Turntrans-70.3-18.1-172.6-61.1179.4-200114.2L159 R160L159-Q162 VanDerWaalsContact O-CG 3.28Å; L159-Q162 WeakPolarHBondContact O-CG 3.34Å; L159-Q162 PolarHBondContact O-NE2 3.03Å; R160-Q162 VanDerWaalsContact C-N 3.28Å; R160-Q162 PolarHBondContact O-N 2.92Å
163H95.4Very high95.7Very high135 Ų135130.9 Ų130.963%0.62563%0.625SS**THydrogen-bonded Turntrans-105.35.9-178.1-59.8-66000113.7R161 P165 R166R161-H163 PolarHBondContact O-N 3.44Å; H163-P165 VanDerWaalsContact C-C 3.42Å; H163-P165 CarbonylContact C-O 3.51Å; H163-R166 PolarHBondContact O-N 3.07Å
164K94.5Very high95.5Very high150 Ų150128.2 Ų128.265%0.65261%0.608SS**THydrogen-bonded Turntrans-138.488.4176-59.7-172.9177.3-1720110.4R161R161-K164 HydrophobicContact CG-CB 3.88Å; R161-K164 PolarHBondContact NE-O 3.17Å; R161-K164 PolarHBondContact NH2-O 3.4Å; R161-K164 VanDerWaalsContact NH2-O 3.1Å; R161-K164 PolarHBondContact O-N 3.19Å
165P94.1Very high95.5Very high79 Ų79131 Ų13151%0.51362%0.615SS.*THydrogen-bonded Turncis-79.61551.535.3-37.4000112.3H163 F167 T168H163-P165 VanDerWaalsContact C-C 3.42Å; H163-P165 CarbonylContact C-O 3.51Å; P165-F167 WeakPolarHBondContact CB-O 3.28Å; P165-T168 HydrophobicContact CG-CG2 4.44Å
166R95.9Very high95.2Very high179 Ų179134.7 Ų134.768%0.67562%0.618SS**SBendtrans-77.5-31.7174.3-173.5173.5-174167.40.5112.3H163H163-R166 PolarHBondContact O-N 3.07Å
167F96.8Very high95.2Very high177 Ų177135.1 Ų135.178%0.77662%0.619SS**SBendtrans-125.5134.2175.9-55.2-73.4000108.4P165P165-F167 WeakPolarHBondContact CB-O 3.28Å
168T96.4Very high95.1Very high91 Ų91136.6 Ų136.656%0.55863%0.631SS**  trans-152.2152.9178.5-175.20000109.3P165 K170P165-T168 HydrophobicContact CG-CG2 4.44Å; T168-K170 VanDerWaalsContact CG2-O 3.27Å; T168-K170 WeakPolarHBondContact CG2-O 3.27Å; T168-K170 PolarHBondContact OG1-N 3.1Å
169T97.3Very high95.2Very high144 Ų144139.9 Ų139.988%0.88364%0.64SS**SBendtrans-83.6-16.317854.30000112.5
170K96.1Very high95.2Very high167 Ų167143.4 Ų143.473%0.72665%0.652SS**SBendtrans-100.6131.5-177.5-62.9-175.7179.7-177.50110.8T168T168-K170 VanDerWaalsContact CG2-O 3.27Å; T168-K170 WeakPolarHBondContact CG2-O 3.27Å; T168-K170 PolarHBondContact OG1-N 3.1Å
171R95.1Very high95.2Very high239 Ų239138.1 Ų138.190%0.90264%0.639SS**PPolyproline II helixtrans-68142.8172.2-66.2-174.6-179.5-175.40.9110.1
172P95.6Very high95.2Very high87 Ų87136 Ų13657%0.56564%0.64SS**PPolyproline II helixtrans-66.4135.217728-33.7000110.5L159L159-P172 HydrophobicContact CB-CB 4.46Å; L159-P172 HydrophobicContact CD2-CB 4.19Å
173N94.9Very high95.2Very high91 Ų91137.4 Ų137.449%0.48765%0.646SS.*PPolyproline II helixtrans-82.9139.1166.4-176.417.4000109.4F175 Y176N173-F175 PolarHBondContact ND2-O 3.29Å; N173-F175 PolarHBondContact OD1-N 3.41Å; N173-F175 PolarHBondContact OD1-O 3.48Å; N173-Y176 WeakPolarHBondContact O-CE2 3.43Å; N173-Y176 PolarHBondContact O-OH 3.36Å
174T95Very high95.2Very high47 Ų47137.6 Ų137.629%0.28865%0.648SS.*  trans-118.1-0.917957.20000113.5R157R157-T174 PolarHBondContact N-O 2.83Å
175F95.4Very high95.3Very high159 Ų159136.6 Ų136.670%0.69765%0.648SS**  trans-109.1121.7177-174.5-96.7000110.8N173N173-F175 PolarHBondContact ND2-O 3.29Å; N173-F175 PolarHBondContact OD1-N 3.41Å; N173-F175 PolarHBondContact OD1-O 3.48Å
176Y91Very high95.4Very high179 Ų179141.8 Ų141.870%0.70266%0.66SS**  trans-146.20-175.4-63.6-92000112.1R157 N173R157-Y176 HydrophobicContact CB-CD2 4.05Å; R157-Y176 HydrophobicContact CB-CE2 4.42Å; R157-Y176 HydrophobicContact CG-CD2 4.37Å; R157-Y176 PolarHBondContact NH2-O 2.85Å; N173-Y176 WeakPolarHBondContact O-CE2 3.43Å; N173-Y176 PolarHBondContact O-OH 3.36Å

Retrieved 176 of 176 residues in 34.8 ms (Link to these results)

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