A0A077ZG25_TRITR Loading...

N-terminal methionine N(alpha)-acetyltransferase NatE

AlphaFold DB , UniProt , Accession A0A077ZG25, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 170 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
1M49.2Very low88Confident243 Ų243103 Ų103100%1.19750%0.495SS*.  0115.80-159.5175.5-161.800107.2R3M1-R3 PolarHBondContact O-N 3.44Å
2F70.7Confident88.8Confident221 Ų22198.6 Ų98.697%0.96948%0.48SS*.  trans-68.9111.8177.4-77.6-85.2000108.6
3R80.6Confident89.5Confident242 Ų24298.3 Ų98.391%0.91349%0.487SS*.PPolyproline II helixtrans-76.2126.1172.2-172.5175.6178.4171.8-0.6107.6M1 R5M1-R3 PolarHBondContact O-N 3.44Å; R3-R5 PolarHBondContact O-N 3.03Å
4A86.1Confident90Very high35 Ų35103.9 Ų103.929%0.28951%0.511SS..PPolyproline II helixtrans-58.3138.7174.900000110.2F51 N52A4-F51 HydrophobicContact CB-CD2 4.33Å; A4-F51 HydrophobicContact CB-CE1 4.03Å; A4-F51 HydrophobicContact CB-CE2 3.53Å; A4-F51 HydrophobicContact CB-CZ 3.36Å; A4-N52 WeakPolarHBondContact CA-OD1 3.41Å
5R93.8Very high90.5Very high138 Ų13898.8 Ų98.852%0.52149%0.486SS..PPolyproline II helixtrans-85.4119.3176.8-161.2-177.2101.4-148.22.7108.6R3 N52 D53R3-R5 PolarHBondContact O-N 3.03Å; R5-N52 PolarHBondContact N-OD1 3.29Å; R5-N52 PolarHBondContact O-N 3.46Å; R5-D53 IonicContact CZ-OD1 2.88Å; R5-D53 IonicContact CZ-OD2 2.82Å; R5-D53 IonicContact NH1-OD1 2.57Å; R5-D53 PolarHBondContact NH1-OD1 3.39Å; R5-D53 IonicContact NH1-OD2 2.58Å; R5-D53 PolarHBondContact NH1-OD2 3.48Å; R5-D53 IonicContact NH2-OD1 3.48Å; R5-D53 PolarHBondContact NH2-OD1 2.93Å; R5-D53 IonicContact NH2-OD2 3.08Å
6V97.1Very high91Very high52 Ų5294.3 Ų94.332%0.31547%0.465SS..EExtended strand (participates in β ladder)trans-119137.7177.4-171.30000109.3V49 Y50 F51 L88 M91V6-V49 HydrophobicContact CG1-CG2 4.01Å; V6-Y50 VanDerWaalsContact CA-O 3.28Å; V6-Y50 WeakPolarHBondContact CA-O 3.44Å; V6-Y50 WeakPolarHBondContact CG1-O 3.19Å; V6-F51 HydrophobicContact CG2-CD2 4.02Å; V6-F51 HydrophobicContact CG2-CE2 4.47Å; V6-L88 HydrophobicContact CB-CD2 4.31Å; V6-L88 HydrophobicContact CG1-CD2 3.31Å; V6-L88 HydrophobicContact CG2-CD2 3.94Å; V6-M91 HydrophobicContact CB-SD 4.29Å; V6-M91 HydrophobicContact CG1-CE 4.15Å; V6-M91 HydrophobicContact CG1-SD 3.32Å; V6-M91 WeakPolarHBondContact CG1-SD 3.46Å
7A98Very high91.4Very high34 Ų3499.1 Ų99.128%0.28148%0.482SS..EExtended strand (participates in β ladder)trans-148.5159.917900000111.6Y50A7-Y50 PolarHBondContact N-O 2.68Å; A7-Y50 PolarHBondContact O-N 3.48Å
8L98.5Very high91.8Very high48 Ų4898.9 Ų98.925%0.25148%0.48SS..EExtended strand (participates in β ladder)trans-100.2146.2165-62.9175.4000109.2K47 F48 V49 M91 M92 Y95L8-K47 HydrophobicContact CB-CB 4.38Å; L8-K47 HydrophobicContact CD2-CB 4.42Å; L8-F48 VanDerWaalsContact CA-O 3.27Å; L8-F48 WeakPolarHBondContact CA-O 3.46Å; L8-F48 WeakPolarHBondContact CD2-O 3.21Å; L8-V49 HydrophobicContact CD2-CB 4.05Å; L8-V49 HydrophobicContact CD2-CG2 4.29Å; L8-M91 HydrophobicContact CG-CE 4.2Å; L8-M91 HydrophobicContact CG-SD 4.48Å; L8-M92 HydrophobicContact CD2-CG 4.03Å; L8-Y95 VanDerWaalsContact CD1-CB 3.45Å; L8-Y95 HydrophobicContact CD1-CD1 3.91Å; L8-Y95 HydrophobicContact CD1-CD2 3.53Å; L8-Y95 HydrophobicContact CD1-CE2 4.28Å; L8-Y95 HydrophobicContact CD1-CG 3.32Å
9G97.9Very high92.1Very high15 Ų1593.7 Ų93.716%0.15546%0.455CS..EExtended strand (participates in β ladder)trans-147.2161.8177.500000112.7K47 F48G9-K47 WeakPolarHBondContact O-CA 3.44Å; G9-F48 PolarHBondContact N-O 3.03Å; G9-F48 PolarHBondContact O-N 2.82Å
10D98.1Very high92.5Very high91 Ų9192.5 Ų92.549%0.48745%0.447SS..EExtended strand (participates in β ladder)trans-70.2141.7-172.5-65-43.1000113.1T12 N15 K47D10-T12 HydrophobicContact CB-CG2 4.09Å; D10-N15 PolarHBondContact O-ND2 3.19Å; D10-K47 IonicContact OD1-NZ 3.84Å; D10-K47 PolarHBondContact OD1-NZ 2.58Å
11I98.4Very high92.7Very high14 Ų1495.6 Ų95.67%0.07246%0.455CS..  trans-89.6128.3162.3-63.1160.4000107I16 L19 V39 A46 F48 A58I11-I16 HydrophobicContact CG2-CD1 3.69Å; I11-L19 HydrophobicContact CD1-CD1 4.42Å; I11-L19 HydrophobicContact CD1-CD2 4.14Å; I11-L19 HydrophobicContact CG2-CD2 4.32Å; I11-V39 HydrophobicContact CB-CG1 4.44Å; I11-V39 HydrophobicContact CD1-CG1 4.23Å; I11-V39 HydrophobicContact CG2-CG1 3.81Å; I11-A46 HydrophobicContact CD1-CB 3.85Å; I11-F48 HydrophobicContact CB-CD2 4.46Å; I11-F48 HydrophobicContact CB-CE2 4.23Å; I11-F48 HydrophobicContact CG1-CD1 4.2Å; I11-F48 HydrophobicContact CG1-CD2 3.55Å; I11-F48 HydrophobicContact CG1-CE1 4.22Å; I11-F48 HydrophobicContact CG1-CE2 3.56Å; I11-F48 HydrophobicContact CG1-CG 3.9Å; I11-F48 HydrophobicContact CG1-CZ 3.91Å; I11-F48 HydrophobicContact CG2-CE2 4.41Å; I11-A58 HydrophobicContact CD1-CB 4.42Å
12T97.5Very high95.1Very high50 Ų5084.5 Ų84.531%0.30740%0.4SS..  trans-134.8165.8-175.869.80000109.6D10 H14 N15 I16D10-T12 HydrophobicContact CB-CG2 4.09Å; T12-H14 PolarHBondContact O-N 2.96Å; T12-H14 VanDerWaalsContact O-N 3.08Å; T12-H14 PolarHBondContact OG1-N 3.03Å; T12-N15 PolarHBondContact N-OD1 2.88Å; T12-N15 PolarHBondContact O-N 3.08Å; T12-N15 PolarHBondContact O-OD1 3.06Å; T12-N15 PolarHBondContact OG1-OD1 3.36Å; T12-I16 PolarHBondContact O-N 3.08Å
13V97.2Very high96.4Very high95 Ų9574 Ų7458%0.57635%0.354SS*.THydrogen-bonded Turntrans-55-27.8173.7-61.80000113.3I16 T40V13-I16 WeakPolarHBondContact O-CG2 3.4Å; V13-T40 HydrophobicContact CG1-CG2 3.94Å
14H97.6Very high97.2Very high177 Ų17767.2 Ų67.282%0.81933%0.332SS*.THydrogen-bonded Turntrans-79.4-30.8-177.3-59.397.6000113.2T12T12-H14 PolarHBondContact O-N 2.96Å; T12-H14 VanDerWaalsContact O-N 3.08Å; T12-H14 PolarHBondContact OG1-N 3.03Å
15N97.7Very high97.8Very high27 Ų2769.5 Ų69.514%0.14434%0.339CS..THydrogen-bonded Turntrans-110.52.2-176.366.715.2000113.4D10 T12 K17 Q18 F48D10-N15 PolarHBondContact O-ND2 3.19Å; T12-N15 PolarHBondContact N-OD1 2.88Å; T12-N15 PolarHBondContact O-N 3.08Å; T12-N15 PolarHBondContact O-OD1 3.06Å; T12-N15 PolarHBondContact OG1-OD1 3.36Å; N15-K17 PolarHBondContact O-N 3.29Å; N15-Q18 VanDerWaalsContact O-CB 3.23Å; N15-Q18 WeakPolarHBondContact O-CB 3.45Å; N15-Q18 PolarHBondContact O-N 3.08Å; N15-F48 HydrophobicContact CB-CE2 4.24Å; N15-F48 WeakPolarHBondContact OD1-CE2 3.46Å
16I98.1Very high98Very high27 Ų2763.9 Ų63.914%0.13832%0.32CS..Hα-helixtrans-55.5-30.9-176.2-166.362.6000114.5I11 T12 V13 Q18 L19 K20 Y36 V39 T40I11-I16 HydrophobicContact CG2-CD1 3.69Å; T12-I16 PolarHBondContact O-N 3.08Å; V13-I16 WeakPolarHBondContact O-CG2 3.4Å; I16-Q18 PolarHBondContact O-N 2.93Å; I16-L19 HydrophobicContact CD1-CB 4.33Å; I16-L19 HydrophobicContact CD1-CD2 3.89Å; I16-L19 WeakPolarHBondContact O-CB 3.39Å; I16-L19 PolarHBondContact O-N 2.87Å; I16-L19 VanDerWaalsContact O-N 3.11Å; I16-K20 PolarHBondContact O-N 3.11Å; I16-K20 VanDerWaalsContact O-N 3.08Å; I16-Y36 HydrophobicContact CD1-CD1 4.31Å; I16-Y36 VanDerWaalsContact CD1-O 3.29Å; I16-Y36 WeakPolarHBondContact CD1-O 3.25Å; I16-Y36 HydrophobicContact CG1-CD1 4.44Å; I16-Y36 WeakPolarHBondContact CG1-O 3.23Å; I16-V39 HydrophobicContact CD1-CB 4.46Å; I16-V39 HydrophobicContact CD1-CG1 4.23Å; I16-T40 HydrophobicContact CB-CG2 4.4Å; I16-T40 HydrophobicContact CD1-CG2 3.99Å; I16-T40 HydrophobicContact CG1-CG2 4.24Å
17K97.9Very high97.9Very high176 Ų17663.4 Ų63.477%0.76531%0.314SS*.Hα-helixtrans-64.2-27.9176.2-67.4-177.4-177.71760112.4N15 K20 R21N15-K17 PolarHBondContact O-N 3.29Å; K17-K20 PolarHBondContact O-N 2.87Å; K17-R21 PolarHBondContact O-N 3.06Å
18Q98.1Very high97.7Very high96 Ų9665.9 Ų65.945%0.44933%0.327SS..Hα-helixtrans-66.5-42.7173.3-61.4178.4-23.500110.6N15 I16 K20 R21 I22 F48N15-Q18 VanDerWaalsContact O-CB 3.23Å; N15-Q18 WeakPolarHBondContact O-CB 3.45Å; N15-Q18 PolarHBondContact O-N 3.08Å; I16-Q18 PolarHBondContact O-N 2.93Å; Q18-K20 VanDerWaalsContact C-N 3.34Å; Q18-K20 PolarHBondContact O-N 3.21Å; Q18-R21 PolarHBondContact O-N 3.46Å; Q18-I22 WeakPolarHBondContact O-CG1 3.4Å; Q18-I22 PolarHBondContact O-N 3.49Å; Q18-F48 HydrophobicContact CB-CZ 4.04Å
19L98.6Very high97.5Very high0 Ų065.5 Ų65.50%033%0.326CS..Hα-helixtrans-59.3-46.8174178.464.8000110.9I11 I16 R21 I22 N23 F35 Y36 V39 F48 A58I11-L19 HydrophobicContact CD1-CD1 4.42Å; I11-L19 HydrophobicContact CD1-CD2 4.14Å; I11-L19 HydrophobicContact CG2-CD2 4.32Å; I16-L19 HydrophobicContact CD1-CB 4.33Å; I16-L19 HydrophobicContact CD1-CD2 3.89Å; I16-L19 WeakPolarHBondContact O-CB 3.39Å; I16-L19 PolarHBondContact O-N 2.87Å; I16-L19 VanDerWaalsContact O-N 3.11Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.34Å; L19-I22 PolarHBondContact O-N 2.87Å; L19-N23 WeakPolarHBondContact O-CB 3.47Å; L19-N23 PolarHBondContact O-N 3.28Å; L19-F35 HydrophobicContact CD2-CE1 4.43Å; L19-Y36 HydrophobicContact CD2-CD1 4.13Å; L19-Y36 HydrophobicContact CD2-CE1 4.36Å; L19-Y36 HydrophobicContact CG-CD1 4.31Å; L19-Y36 HydrophobicContact CG-CE1 4.15Å; L19-V39 HydrophobicContact CD2-CB 4.4Å; L19-V39 HydrophobicContact CD2-CG1 3.66Å; L19-F48 HydrophobicContact CB-CE1 3.73Å; L19-F48 HydrophobicContact CB-CZ 3.7Å; L19-F48 HydrophobicContact CD1-CE1 4.12Å; L19-A58 HydrophobicContact CD1-CB 3.37Å
20K98.3Very high97.4Very high69 Ų6970.7 Ų70.730%0.336%0.355SS..Hα-helixtrans-56.4-44176.7-175.3165.9-175.91720111.9I16 K17 Q18 N23 Q24 D33 Y36I16-K20 PolarHBondContact O-N 3.11Å; I16-K20 VanDerWaalsContact O-N 3.08Å; K17-K20 PolarHBondContact O-N 2.87Å; Q18-K20 VanDerWaalsContact C-N 3.34Å; Q18-K20 PolarHBondContact O-N 3.21Å; K20-N23 PolarHBondContact O-N 3.43Å; K20-Q24 VanDerWaalsContact O-CG 3.25Å; K20-Q24 WeakPolarHBondContact O-CG 3.28Å; K20-Q24 PolarHBondContact O-N 3.22Å; K20-Q24 VanDerWaalsContact O-N 3.12Å; K20-D33 IonicContact NZ-OD1 2.68Å; K20-D33 PolarHBondContact NZ-OD1 3.44Å; K20-Y36 HydrophobicContact CB-CD1 4.06Å; K20-Y36 HydrophobicContact CB-CE1 3.66Å; K20-Y36 HydrophobicContact CB-CE2 4.18Å; K20-Y36 HydrophobicContact CB-CG 4.49Å; K20-Y36 HydrophobicContact CD-CD2 4.12Å; K20-Y36 HydrophobicContact CD-CE2 3.9Å; K20-Y36 HydrophobicContact CG-CD2 4.38Å; K20-Y36 HydrophobicContact CG-CE1 4.15Å; K20-Y36 HydrophobicContact CG-CE2 3.79Å
21R98.1Very high97.3Very high158 Ų15868.9 Ų68.960%0.59634%0.342SS*.Hα-helixtrans-66.3-41.8178.6-173.956.6174.2171.61112.6K17 Q18 L19 I25K17-R21 PolarHBondContact O-N 3.06Å; Q18-R21 PolarHBondContact O-N 3.46Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.34Å; R21-I25 HydrophobicContact CG-CD1 4.37Å; R21-I25 WeakPolarHBondContact O-CG1 3.48Å; R21-I25 PolarHBondContact O-N 3.12Å
22I98.4Very high97.2Very high10 Ų1071.9 Ų71.95%0.05136%0.364CS..Hα-helixtrans-62-50176.1-73.1168.2000110Q18 L19 Q24 I25 V26 F48 V55Q18-I22 WeakPolarHBondContact O-CG1 3.4Å; Q18-I22 PolarHBondContact O-N 3.49Å; L19-I22 PolarHBondContact O-N 2.87Å; I22-Q24 VanDerWaalsContact C-N 3.29Å; I22-Q24 PolarHBondContact O-N 2.99Å; I22-I25 PolarHBondContact O-N 3.29Å; I22-V26 HydrophobicContact CG2-CG2 3.83Å; I22-V26 WeakPolarHBondContact O-CB 3.41Å; I22-V26 VanDerWaalsContact O-CG2 3.28Å; I22-V26 WeakPolarHBondContact O-CG2 3.2Å; I22-V26 PolarHBondContact O-N 3.1Å; I22-F48 HydrophobicContact CD1-CD1 4.37Å; I22-F48 HydrophobicContact CD1-CE1 4.14Å; I22-V55 HydrophobicContact CD1-CB 4.26Å; I22-V55 HydrophobicContact CD1-CG1 3.35Å
23N98.4Very high97.1Very high1 Ų174.8 Ų74.81%0.00538%0.378CS..Hα-helixtrans-60.4-38.8-177.5-74.5-1.9000112.3L19 K20 I25 V26 F27 Y31 F35L19-N23 WeakPolarHBondContact O-CB 3.47Å; L19-N23 PolarHBondContact O-N 3.28Å; K20-N23 PolarHBondContact O-N 3.43Å; N23-I25 PolarHBondContact O-N 3.12Å; N23-V26 PolarHBondContact O-N 2.94Å; N23-F27 HydrophobicContact CB-CD2 4.08Å; N23-F27 PolarHBondContact O-N 3.37Å; N23-Y31 HydrophobicContact CB-CD2 4.49Å; N23-F35 WeakPolarHBondContact ND2-CE1 3.45Å
24Q97.7Very high97.1Very high98 Ų9879 Ų7946%0.45838%0.383SS..Hα-helixtrans-62-26.1175.3-75.7174.2-2400114.3K20 I22K20-Q24 VanDerWaalsContact O-CG 3.25Å; K20-Q24 WeakPolarHBondContact O-CG 3.28Å; K20-Q24 PolarHBondContact O-N 3.22Å; K20-Q24 VanDerWaalsContact O-N 3.12Å; I22-Q24 VanDerWaalsContact C-N 3.29Å; I22-Q24 PolarHBondContact O-N 2.99Å
25I97.9Very high97.1Very high83 Ų8371.6 Ų71.643%0.42635%0.349SS..Hα-helixtrans-92.3-37.6178.6-63.7166.2000110.5R21 I22 N23 L80R21-I25 HydrophobicContact CG-CD1 4.37Å; R21-I25 WeakPolarHBondContact O-CG1 3.48Å; R21-I25 PolarHBondContact O-N 3.12Å; I22-I25 PolarHBondContact O-N 3.29Å; N23-I25 PolarHBondContact O-N 3.12Å; I25-L80 HydrophobicContact CB-CD2 4Å; I25-L80 HydrophobicContact CD1-CD2 3.96Å; I25-L80 HydrophobicContact CG2-CD2 3.77Å
26V97.8Very high97.1Very high20 Ų2071 Ų7112%0.12135%0.345CS..Hα-helixtrans-82.5-37.6-170.9174.30000112.2I22 N23 L80I22-V26 HydrophobicContact CG2-CG2 3.83Å; I22-V26 WeakPolarHBondContact O-CB 3.41Å; I22-V26 VanDerWaalsContact O-CG2 3.28Å; I22-V26 WeakPolarHBondContact O-CG2 3.2Å; I22-V26 PolarHBondContact O-N 3.1Å; N23-V26 PolarHBondContact O-N 2.94Å; V26-L80 HydrophobicContact CG2-CD2 4.27Å
27F96.7Very high97.1Very high42 Ų4272.6 Ų72.618%0.18436%0.359CS..  trans-113.1141.3-173.4-57.4-73.8000111.7N23 V29 Y31 T76N23-F27 HydrophobicContact CB-CD2 4.08Å; N23-F27 PolarHBondContact O-N 3.37Å; F27-V29 HydrophobicContact CB-CG2 4.1Å; F27-V29 PolarHBondContact O-N 3.29Å; F27-V29 VanDerWaalsContact O-N 3.07Å; F27-Y31 HydrophobicContact CB-CE2 4.45Å; F27-Y31 HydrophobicContact CD2-CE2 4.36Å; F27-T76 HydrophobicContact CD2-CG2 4.05Å; F27-T76 HydrophobicContact CE2-CG2 3.64Å; F27-T76 HydrophobicContact CZ-CG2 4Å
28P93.9Very high97Very high87 Ų8767.8 Ų67.857%0.56534%0.341SS*.SBendtrans-77.815.9178.134.5-37.2000113.2I142P28-I142 HydrophobicContact CB-CD1 3.92Å; P28-I142 HydrophobicContact CG-CD1 3.63Å
29V94.3Very high97Very high39 Ų3963.3 Ų63.324%0.23632%0.32CS..SBendtrans-128.8153.4-177.1-63.50000110.7F27 Y31 Y139 I142F27-V29 HydrophobicContact CB-CG2 4.1Å; F27-V29 PolarHBondContact O-N 3.29Å; F27-V29 VanDerWaalsContact O-N 3.07Å; V29-Y31 HydrophobicContact CG2-CD2 4.44Å; V29-Y31 HydrophobicContact CG2-CE2 3.73Å; V29-Y139 HydrophobicContact CG1-CD1 3.68Å; V29-Y139 HydrophobicContact CG1-CE1 4.03Å; V29-I142 HydrophobicContact CG1-CD1 3.98Å
30T94.4Very high96.8Very high124 Ų12464.9 Ų64.976%0.76133%0.33SS*.PPolyproline II helixtrans-103.1125.6175.7-58.20000110
31Y95.9Very high96.7Very high54 Ų5468 Ų6821%0.21235%0.35CS..PPolyproline II helixtrans-87.2146171.4-65-94.8000110.5N23 F27 V29 F35 M75 T76N23-Y31 HydrophobicContact CB-CD2 4.49Å; F27-Y31 HydrophobicContact CB-CE2 4.45Å; F27-Y31 HydrophobicContact CD2-CE2 4.36Å; V29-Y31 HydrophobicContact CG2-CD2 4.44Å; V29-Y31 HydrophobicContact CG2-CE2 3.73Å; Y31-F35 HydrophobicContact CD1-CB 4.34Å; Y31-F35 AromaticContact CD1-CD1 3.97Å; Y31-F35 HydrophobicContact CD1-CD1 3.97Å; Y31-F35 AromaticContact CD1-CD2 3.69Å; Y31-F35 HydrophobicContact CD1-CD2 3.69Å; Y31-F35 HydrophobicContact CD1-CE1 4.19Å; Y31-F35 AromaticContact CD1-CE2 3.9Å; Y31-F35 HydrophobicContact CD1-CE2 3.9Å; Y31-F35 AromaticContact CD1-CG 3.72Å; Y31-F35 HydrophobicContact CD1-CG 3.72Å; Y31-F35 HydrophobicContact CD1-CZ 4.14Å; Y31-F35 HydrophobicContact CE1-CD2 4.28Å; Y31-F35 HydrophobicContact CE1-CE2 4.12Å; Y31-F35 HydrophobicContact CE1-CZ 4.41Å; Y31-F35 AromaticContact CG-CD1 3.89Å; Y31-F35 HydrophobicContact CG-CD1 3.89Å; Y31-F35 HydrophobicContact CG-CD2 4.44Å; Y31-F35 HydrophobicContact CG-CE1 4.13Å; Y31-F35 HydrophobicContact CG-CG 4.07Å; Y31-F35 HydrophobicContact CG-CZ 4.48Å; Y31-M75 PolarHBondContact OH-O 2.83Å; Y31-M75 VanDerWaalsContact OH-O 3.13Å; Y31-T76 HydrophobicContact CE1-CG2 3.97Å; Y31-T76 HydrophobicContact CE2-CG2 3.7Å; Y31-T76 WeakPolarHBondContact OH-CG2 3.37Å
32S96Very high96.6Very high76 Ų7662.4 Ų62.453%0.53133%0.331SS..PPolyproline II helixtrans-71.5163.4177.663.70000111.9R34 F35 Y36S32-R34 PolarHBondContact O-N 2.92Å; S32-F35 WeakPolarHBondContact O-CB 3.17Å; S32-F35 PolarHBondContact O-N 3.07Å; S32-F35 VanDerWaalsContact O-N 3.12Å; S32-F35 PolarHBondContact OG-N 3.3Å; S32-Y36 WeakPolarHBondContact O-CD2 3.29Å
33D96.7Very high96.5Very high112 Ų11263.8 Ų63.860%0.59935%0.348SS*.Hα-helixtrans-62.3-29.6175-69.3-32.1000112.5K20 F35 Y36 S37K20-D33 IonicContact NZ-OD1 2.68Å; K20-D33 PolarHBondContact NZ-OD1 3.44Å; D33-F35 VanDerWaalsContact C-N 3.33Å; D33-F35 PolarHBondContact O-N 3.4Å; D33-Y36 PolarHBondContact O-N 2.94Å; D33-Y36 VanDerWaalsContact O-N 3.1Å; D33-S37 PolarHBondContact O-N 3.3Å
34R97Very high96.4Very high182 Ų18267.3 Ų67.369%0.68737%0.371SS*.Hα-helixtrans-60.1-39.5172.9-179173.5179.11673.7112.9S32 Y36 S37 D38S32-R34 PolarHBondContact O-N 2.92Å; R34-Y36 PolarHBondContact O-N 2.85Å; R34-S37 WeakPolarHBondContact CA-OG 3.47Å; R34-S37 PolarHBondContact O-N 2.8Å; R34-S37 PolarHBondContact O-OG 2.86Å; R34-D38 WeakPolarHBondContact CG-OD2 3.5Å; R34-D38 IonicContact NE-OD2 3.44Å; R34-D38 PolarHBondContact NE-OD2 2.81Å; R34-D38 WeakPolarHBondContact O-CB 3.13Å; R34-D38 PolarHBondContact O-N 3.31Å
35F97.7Very high96.4Very high22 Ų2264 Ų6410%0.09636%0.357CS..Hα-helixtrans-57.2-43.3174.4164.9-92.3000110.9L19 N23 Y31 S32 D33 D38 V39 C60 M75 T76L19-F35 HydrophobicContact CD2-CE1 4.43Å; N23-F35 WeakPolarHBondContact ND2-CE1 3.45Å; Y31-F35 HydrophobicContact CD1-CB 4.34Å; Y31-F35 AromaticContact CD1-CD1 3.97Å; Y31-F35 HydrophobicContact CD1-CD1 3.97Å; Y31-F35 AromaticContact CD1-CD2 3.69Å; Y31-F35 HydrophobicContact CD1-CD2 3.69Å; Y31-F35 HydrophobicContact CD1-CE1 4.19Å; Y31-F35 AromaticContact CD1-CE2 3.9Å; Y31-F35 HydrophobicContact CD1-CE2 3.9Å; Y31-F35 AromaticContact CD1-CG 3.72Å; Y31-F35 HydrophobicContact CD1-CG 3.72Å; Y31-F35 HydrophobicContact CD1-CZ 4.14Å; Y31-F35 HydrophobicContact CE1-CD2 4.28Å; Y31-F35 HydrophobicContact CE1-CE2 4.12Å; Y31-F35 HydrophobicContact CE1-CZ 4.41Å; Y31-F35 AromaticContact CG-CD1 3.89Å; Y31-F35 HydrophobicContact CG-CD1 3.89Å; Y31-F35 HydrophobicContact CG-CD2 4.44Å; Y31-F35 HydrophobicContact CG-CE1 4.13Å; Y31-F35 HydrophobicContact CG-CG 4.07Å; Y31-F35 HydrophobicContact CG-CZ 4.48Å; S32-F35 WeakPolarHBondContact O-CB 3.17Å; S32-F35 PolarHBondContact O-N 3.07Å; S32-F35 VanDerWaalsContact O-N 3.12Å; S32-F35 PolarHBondContact OG-N 3.3Å; D33-F35 VanDerWaalsContact C-N 3.33Å; D33-F35 PolarHBondContact O-N 3.4Å; F35-D38 PolarHBondContact O-N 3.29Å; F35-V39 HydrophobicContact CD1-CG2 4.38Å; F35-V39 HydrophobicContact CD2-CG2 4.27Å; F35-V39 HydrophobicContact CE1-CG2 4Å; F35-V39 HydrophobicContact CE2-CG2 3.89Å; F35-V39 HydrophobicContact CZ-CG2 3.75Å; F35-V39 WeakPolarHBondContact O-CB 3.28Å; F35-V39 WeakPolarHBondContact O-CG2 3.35Å; F35-V39 PolarHBondContact O-N 2.76Å; F35-C60 HydrophobicContact CZ-CB 4.33Å; F35-M75 HydrophobicContact CD2-SD 4.24Å; F35-M75 HydrophobicContact CE2-CB 4.06Å; F35-M75 HydrophobicContact CE2-CE 4.14Å; F35-M75 HydrophobicContact CE2-SD 3.94Å; F35-T76 HydrophobicContact CZ-CG2 4.09Å
36Y98.1Very high96.4Very high15 Ų1560.2 Ų60.26%0.05934%0.338CS..Hα-helixtrans-73.5-31.7-178.9-62.2-71.6000113.2I16 L19 K20 S32 D33 R34I16-Y36 HydrophobicContact CD1-CD1 4.31Å; I16-Y36 VanDerWaalsContact CD1-O 3.29Å; I16-Y36 WeakPolarHBondContact CD1-O 3.25Å; I16-Y36 HydrophobicContact CG1-CD1 4.44Å; I16-Y36 WeakPolarHBondContact CG1-O 3.23Å; L19-Y36 HydrophobicContact CD2-CD1 4.13Å; L19-Y36 HydrophobicContact CD2-CE1 4.36Å; L19-Y36 HydrophobicContact CG-CD1 4.31Å; L19-Y36 HydrophobicContact CG-CE1 4.15Å; K20-Y36 HydrophobicContact CB-CD1 4.06Å; K20-Y36 HydrophobicContact CB-CE1 3.66Å; K20-Y36 HydrophobicContact CB-CE2 4.18Å; K20-Y36 HydrophobicContact CB-CG 4.49Å; K20-Y36 HydrophobicContact CD-CD2 4.12Å; K20-Y36 HydrophobicContact CD-CE2 3.9Å; K20-Y36 HydrophobicContact CG-CD2 4.38Å; K20-Y36 HydrophobicContact CG-CE1 4.15Å; K20-Y36 HydrophobicContact CG-CE2 3.79Å; S32-Y36 WeakPolarHBondContact O-CD2 3.29Å; D33-Y36 PolarHBondContact O-N 2.94Å; D33-Y36 VanDerWaalsContact O-N 3.1Å; R34-Y36 PolarHBondContact O-N 2.85Å
37S96.4Very high96.5Very high61 Ų6160.9 Ų60.943%0.42734%0.339SS..Hα-helixtrans-67.4-45.4170.760.60000111.4D33 R34 V39 T40D33-S37 PolarHBondContact O-N 3.3Å; R34-S37 WeakPolarHBondContact CA-OG 3.47Å; R34-S37 PolarHBondContact O-N 2.8Å; R34-S37 PolarHBondContact O-OG 2.86Å; S37-V39 VanDerWaalsContact C-N 3.26Å; S37-V39 PolarHBondContact O-N 2.97Å; S37-T40 PolarHBondContact O-N 3.03Å; S37-T40 PolarHBondContact O-OG1 2.92Å
38D97Very high96.6Very high74 Ų7458.9 Ų58.940%0.39633%0.33SS..Hα-helixtrans-67.7-31-176.5-62.7-1.4000110.8R34 F35 T40 D41R34-D38 WeakPolarHBondContact CG-OD2 3.5Å; R34-D38 IonicContact NE-OD2 3.44Å; R34-D38 PolarHBondContact NE-OD2 2.81Å; R34-D38 WeakPolarHBondContact O-CB 3.13Å; R34-D38 PolarHBondContact O-N 3.31Å; F35-D38 PolarHBondContact O-N 3.29Å; D38-T40 VanDerWaalsContact C-N 3.27Å; D38-T40 PolarHBondContact O-N 2.78Å; D38-D41 PolarHBondContact O-N 3.18Å
39V97.4Very high96.8Very high2 Ų254.7 Ų54.71%0.01230%0.303CS..Hα-helixtrans-62.5-30179163.80000113.4I11 I16 L19 F35 S37 D41 L42 A46 C60I11-V39 HydrophobicContact CB-CG1 4.44Å; I11-V39 HydrophobicContact CD1-CG1 4.23Å; I11-V39 HydrophobicContact CG2-CG1 3.81Å; I16-V39 HydrophobicContact CD1-CB 4.46Å; I16-V39 HydrophobicContact CD1-CG1 4.23Å; L19-V39 HydrophobicContact CD2-CB 4.4Å; L19-V39 HydrophobicContact CD2-CG1 3.66Å; F35-V39 HydrophobicContact CD1-CG2 4.38Å; F35-V39 HydrophobicContact CD2-CG2 4.27Å; F35-V39 HydrophobicContact CE1-CG2 4Å; F35-V39 HydrophobicContact CE2-CG2 3.89Å; F35-V39 HydrophobicContact CZ-CG2 3.75Å; F35-V39 WeakPolarHBondContact O-CB 3.28Å; F35-V39 WeakPolarHBondContact O-CG2 3.35Å; F35-V39 PolarHBondContact O-N 2.76Å; S37-V39 VanDerWaalsContact C-N 3.26Å; S37-V39 PolarHBondContact O-N 2.97Å; V39-D41 PolarHBondContact O-N 3.16Å; V39-L42 HydrophobicContact CB-CD1 4.14Å; V39-L42 HydrophobicContact CG1-CD1 4.45Å; V39-L42 HydrophobicContact CG2-CD1 3.79Å; V39-L42 PolarHBondContact O-N 3.46Å; V39-A46 HydrophobicContact CG1-CB 3.93Å; V39-C60 HydrophobicContact CG2-CB 4.27Å
40T95.4Very high97Very high33 Ų3355.5 Ų55.520%0.20230%0.302CS..THydrogen-bonded Turntrans-68.7-17.5-179.158.70000113.1V13 I16 S37 D38V13-T40 HydrophobicContact CG1-CG2 3.94Å; I16-T40 HydrophobicContact CB-CG2 4.4Å; I16-T40 HydrophobicContact CD1-CG2 3.99Å; I16-T40 HydrophobicContact CG1-CG2 4.24Å; S37-T40 PolarHBondContact O-N 3.03Å; S37-T40 PolarHBondContact O-OG1 2.92Å; D38-T40 VanDerWaalsContact C-N 3.27Å; D38-T40 PolarHBondContact O-N 2.78Å
41D96Very high97.2Very high136 Ų13651.3 Ų51.373%0.72727%0.274SS*.THydrogen-bonded Turntrans-99.6-3.3-178.4-58.2-25.7000112.8D38 V39 G43D38-D41 PolarHBondContact O-N 3.18Å; V39-D41 PolarHBondContact O-N 3.16Å; D41-G43 PolarHBondContact O-N 2.9Å
42L96Very high97.2Very high39 Ų3952.6 Ų52.620%0.20428%0.284CS..  trans-74.9-12.9-178-65.5174.5000113.7V39 P44 L45 A46 C61 R62 M75V39-L42 HydrophobicContact CB-CD1 4.14Å; V39-L42 HydrophobicContact CG1-CD1 4.45Å; V39-L42 HydrophobicContact CG2-CD1 3.79Å; V39-L42 PolarHBondContact O-N 3.46Å; L42-P44 WeakPolarHBondContact O-CD 3.45Å; L42-L45 HydrophobicContact CB-CB 4.29Å; L42-L45 WeakPolarHBondContact O-CB 3.38Å; L42-L45 PolarHBondContact O-N 2.86Å; L42-A46 HydrophobicContact CB-CB 3.88Å; L42-A46 HydrophobicContact CD1-CB 4.15Å; L42-C61 WeakPolarHBondContact CD1-O 3.34Å; L42-R62 HydrophobicContact CD2-CB 4.39Å; L42-M75 HydrophobicContact CD1-CE 3.68Å
43G95.4Very high97.1Very high39 Ų3953.6 Ų53.640%0.40228%0.283SS..G310 helixtrans51.7-120.4178.700000112.5D41 L45 A46D41-G43 PolarHBondContact O-N 2.9Å; G43-L45 PolarHBondContact O-N 3.33Å; G43-L45 VanDerWaalsContact O-N 3.1Å; G43-A46 PolarHBondContact O-N 2.97Å
44P96.8Very high97.1Very high76 Ų7652.8 Ų52.849%0.49428%0.279SS..G310 helixtrans-62.9-18.6-177.128.3-35.3000113.5L42 A46 Y95L42-P44 WeakPolarHBondContact O-CD 3.45Å; P44-A46 PolarHBondContact O-N 3.1Å; P44-Y95 WeakPolarHBondContact CA-OH 3.09Å; P44-Y95 WeakPolarHBondContact CB-OH 3.42Å; P44-Y95 WeakPolarHBondContact O-CE1 3.41Å; P44-Y95 VanDerWaalsContact O-CZ 3.31Å; P44-Y95 PolarHBondContact O-OH 2.9Å
45L98.1Very high97.2Very high29 Ų2945.6 Ų45.615%0.15226%0.255CS..G310 helixtrans-81.50.1-179.4-57.2-176.4000113.6L42 G43 C61 V63 L72 C99L42-L45 HydrophobicContact CB-CB 4.29Å; L42-L45 WeakPolarHBondContact O-CB 3.38Å; L42-L45 PolarHBondContact O-N 2.86Å; G43-L45 PolarHBondContact O-N 3.33Å; G43-L45 VanDerWaalsContact O-N 3.1Å; L45-C61 HydrophobicContact CB-CB 4.19Å; L45-C61 WeakPolarHBondContact CB-O 3.15Å; L45-C61 PolarHBondContact O-N 3.3Å; L45-V63 HydrophobicContact CD1-CG2 3.58Å; L45-L72 HydrophobicContact CD2-CD1 3.8Å; L45-C99 HydrophobicContact CD2-CB 4.2Å
46A98.6Very high97.2Very high3 Ų344.6 Ų44.63%0.02525%0.25CS..EExtended strand (participates in β ladder)trans-133.3118.117400000110.8I11 V39 L42 G43 P44 V59I11-A46 HydrophobicContact CD1-CB 3.85Å; V39-A46 HydrophobicContact CG1-CB 3.93Å; L42-A46 HydrophobicContact CB-CB 3.88Å; L42-A46 HydrophobicContact CD1-CB 4.15Å; G43-A46 PolarHBondContact O-N 2.97Å; P44-A46 PolarHBondContact O-N 3.1Å; A46-V59 CarbonylContact C-O 3.46Å; A46-V59 VanDerWaalsContact CA-O 3.32Å; A46-V59 WeakPolarHBondContact CA-O 3.49Å
47K98.8Very high97.2Very high33 Ų3343.9 Ų43.914%0.14325%0.248CC..EExtended strand (participates in β ladder)trans-136.1141.8178.4-65.4-66.4-178175.40111.6L8 G9 D10 A58 V59 Y95L8-K47 HydrophobicContact CB-CB 4.38Å; L8-K47 HydrophobicContact CD2-CB 4.42Å; G9-K47 WeakPolarHBondContact O-CA 3.44Å; D10-K47 IonicContact OD1-NZ 3.84Å; D10-K47 PolarHBondContact OD1-NZ 2.58Å; K47-A58 CarbonylContact O-C 3.54Å; K47-A58 VanDerWaalsContact O-CA 3.24Å; K47-A58 WeakPolarHBondContact O-CA 3.44Å; K47-V59 HydrophobicContact CB-CG1 4.23Å; K47-V59 PolarHBondContact N-O 3.33Å; K47-V59 PolarHBondContact O-N 3.34Å; K47-Y95 HydrophobicContact CB-CE1 4.4Å; K47-Y95 WeakPolarHBondContact CE-OH 3.32Å; K47-Y95 HydrophobicContact CG-CD1 4.23Å; K47-Y95 HydrophobicContact CG-CE1 3.48Å; K47-Y95 VanDerWaalsContact CG-CE1 3.48Å
48F98.8Very high97.4Very high0 Ų041 Ų410%023%0.227CC..EExtended strand (participates in β ladder)trans-74.3152.3158.7-76.6-55.5000110.8L8 G9 I11 N15 Q18 L19 I22 Y50 V55 G57 A58L8-F48 VanDerWaalsContact CA-O 3.27Å; L8-F48 WeakPolarHBondContact CA-O 3.46Å; L8-F48 WeakPolarHBondContact CD2-O 3.21Å; G9-F48 PolarHBondContact N-O 3.03Å; G9-F48 PolarHBondContact O-N 2.82Å; I11-F48 HydrophobicContact CB-CD2 4.46Å; I11-F48 HydrophobicContact CB-CE2 4.23Å; I11-F48 HydrophobicContact CG1-CD1 4.2Å; I11-F48 HydrophobicContact CG1-CD2 3.55Å; I11-F48 HydrophobicContact CG1-CE1 4.22Å; I11-F48 HydrophobicContact CG1-CE2 3.56Å; I11-F48 HydrophobicContact CG1-CG 3.9Å; I11-F48 HydrophobicContact CG1-CZ 3.91Å; I11-F48 HydrophobicContact CG2-CE2 4.41Å; N15-F48 HydrophobicContact CB-CE2 4.24Å; N15-F48 WeakPolarHBondContact OD1-CE2 3.46Å; Q18-F48 HydrophobicContact CB-CZ 4.04Å; L19-F48 HydrophobicContact CB-CE1 3.73Å; L19-F48 HydrophobicContact CB-CZ 3.7Å; L19-F48 HydrophobicContact CD1-CE1 4.12Å; I22-F48 HydrophobicContact CD1-CD1 4.37Å; I22-F48 HydrophobicContact CD1-CE1 4.14Å; F48-Y50 HydrophobicContact CB-CD2 4.2Å; F48-Y50 HydrophobicContact CB-CE2 3.66Å; F48-V55 HydrophobicContact CB-CG1 3.95Å; F48-V55 HydrophobicContact CD1-CG1 3.17Å; F48-V55 HydrophobicContact CD2-CG1 4.33Å; F48-V55 HydrophobicContact CE1-CG1 3.65Å; F48-V55 HydrophobicContact CG-CG1 3.57Å; F48-V55 HydrophobicContact CZ-CG1 4.38Å; F48-G57 WeakPolarHBondContact CA-O 3.49Å; F48-A58 HydrophobicContact CD1-CB 3.93Å; F48-A58 HydrophobicContact CE1-CB 4.34Å
49V98.6Very high97.5Very high0 Ų037.4 Ų37.40%021%0.208CC..EExtended strand (participates in β ladder)trans-108.8130.8161.763.40000110.1V6 L8 V56 G57 L88 M91 M92V6-V49 HydrophobicContact CG1-CG2 4.01Å; L8-V49 HydrophobicContact CD2-CB 4.05Å; L8-V49 HydrophobicContact CD2-CG2 4.29Å; V49-V56 HydrophobicContact CG1-CG2 4.22Å; V49-V56 PolarHBondContact O-N 3.33Å; V49-G57 PolarHBondContact N-O 3.31Å; V49-L88 HydrophobicContact CG1-CB 4.5Å; V49-L88 HydrophobicContact CG2-CB 4.19Å; V49-L88 HydrophobicContact CG2-CD1 4.44Å; V49-L88 HydrophobicContact CG2-CD2 3.95Å; V49-L88 HydrophobicContact CG2-CG 4.42Å; V49-M91 HydrophobicContact CG2-SD 4.37Å; V49-M92 HydrophobicContact CB-CG 4.04Å; V49-M92 HydrophobicContact CB-SD 3.92Å; V49-M92 HydrophobicContact CG1-CE 4.09Å; V49-M92 HydrophobicContact CG1-CG 4.29Å; V49-M92 HydrophobicContact CG1-SD 3.6Å
50Y98.4Very high97.5Very high56 Ų5637.3 Ų37.322%0.2221%0.208CC..EExtended strand (participates in β ladder)trans-104.8138.6-179.7-70.7-102.8000110.6V6 A7 F48 D53 L54 V55V6-Y50 VanDerWaalsContact CA-O 3.28Å; V6-Y50 WeakPolarHBondContact CA-O 3.44Å; V6-Y50 WeakPolarHBondContact CG1-O 3.19Å; A7-Y50 PolarHBondContact N-O 2.68Å; A7-Y50 PolarHBondContact O-N 3.48Å; F48-Y50 HydrophobicContact CB-CD2 4.2Å; F48-Y50 HydrophobicContact CB-CE2 3.66Å; Y50-D53 WeakPolarHBondContact CD1-O 3.28Å; Y50-L54 CarbonylContact C-O 3.48Å; Y50-L54 WeakPolarHBondContact CA-O 3.48Å; Y50-V55 HydrophobicContact CD1-CG2 3.97Å; Y50-V55 HydrophobicContact CE1-CB 4.5Å; Y50-V55 HydrophobicContact CE1-CG2 3.35Å; Y50-V55 HydrophobicContact CE2-CG2 4.31Å
51F97.8Very high97.7Very high36 Ų3635.8 Ų35.816%0.15820%0.198CC..EExtended strand (participates in β ladder)trans-128.2115.4170.1-173.6-80.6000108.8A4 V6 D53 L54 V56 Y83 L86 L88A4-F51 HydrophobicContact CB-CD2 4.33Å; A4-F51 HydrophobicContact CB-CE1 4.03Å; A4-F51 HydrophobicContact CB-CE2 3.53Å; A4-F51 HydrophobicContact CB-CZ 3.36Å; V6-F51 HydrophobicContact CG2-CD2 4.02Å; V6-F51 HydrophobicContact CG2-CE2 4.47Å; F51-D53 VanDerWaalsContact C-N 3.34Å; F51-D53 PolarHBondContact O-N 2.81Å; F51-L54 PolarHBondContact N-O 2.57Å; F51-L54 WeakPolarHBondContact O-CB 3.27Å; F51-L54 PolarHBondContact O-N 3.19Å; F51-L54 VanDerWaalsContact O-N 3.08Å; F51-V56 HydrophobicContact CB-CG1 4.05Å; F51-V56 HydrophobicContact CB-CG2 3.73Å; F51-Y83 HydrophobicContact CB-CD1 3.93Å; F51-Y83 HydrophobicContact CB-CE1 4.1Å; F51-Y83 AromaticContact CD1-CD1 3.84Å; F51-Y83 HydrophobicContact CD1-CD1 3.84Å; F51-Y83 AromaticContact CD1-CE1 3.58Å; F51-Y83 HydrophobicContact CD1-CE1 3.58Å; F51-Y83 HydrophobicContact CD2-CD1 4.33Å; F51-Y83 HydrophobicContact CE1-CD1 4.41Å; F51-Y83 HydrophobicContact CE1-CE1 4.2Å; F51-Y83 AromaticContact CG-CD1 3.78Å; F51-Y83 HydrophobicContact CG-CD1 3.78Å; F51-Y83 AromaticContact CG-CE1 3.95Å; F51-Y83 HydrophobicContact CG-CE1 3.95Å; F51-L86 HydrophobicContact CD2-CD1 4.24Å; F51-L86 HydrophobicContact CE2-CD1 3.66Å; F51-L86 HydrophobicContact CZ-CD1 4.03Å; F51-L88 HydrophobicContact CD2-CD1 4.4Å; F51-L88 HydrophobicContact CD2-CD2 4.37Å
52N95.9Very high97.7Very high80 Ų8034.7 Ų34.743%0.42818%0.184SC..THydrogen-bonded Turntrans46.455.3-171.5-62.7-20.5000111.9A4 R5 L54A4-N52 WeakPolarHBondContact CA-OD1 3.41Å; R5-N52 PolarHBondContact N-OD1 3.29Å; R5-N52 PolarHBondContact O-N 3.46Å; N52-L54 PolarHBondContact O-N 3.19Å
53D94.3Very high97.8Very high97 Ų9735.2 Ų35.252%0.51919%0.188SC..THydrogen-bonded Turntrans68.2-5.1-179.4-59.9-84.4000116.4R5 Y50 F51R5-D53 IonicContact CZ-OD1 2.88Å; R5-D53 IonicContact CZ-OD2 2.82Å; R5-D53 IonicContact NH1-OD1 2.57Å; R5-D53 PolarHBondContact NH1-OD1 3.39Å; R5-D53 IonicContact NH1-OD2 2.58Å; R5-D53 PolarHBondContact NH1-OD2 3.48Å; R5-D53 IonicContact NH2-OD1 3.48Å; R5-D53 PolarHBondContact NH2-OD1 2.93Å; R5-D53 IonicContact NH2-OD2 3.08Å; Y50-D53 WeakPolarHBondContact CD1-O 3.28Å; F51-D53 VanDerWaalsContact C-N 3.34Å; F51-D53 PolarHBondContact O-N 2.81Å
54L97.2Very high97.9Very high96 Ų9635.4 Ų35.450%0.50318%0.18SC..EExtended strand (participates in β ladder)trans-90.5133.1177.2-58.9178.1000110.6Y50 F51 N52 V56Y50-L54 CarbonylContact C-O 3.48Å; Y50-L54 WeakPolarHBondContact CA-O 3.48Å; F51-L54 PolarHBondContact N-O 2.57Å; F51-L54 WeakPolarHBondContact O-CB 3.27Å; F51-L54 PolarHBondContact O-N 3.19Å; F51-L54 VanDerWaalsContact O-N 3.08Å; N52-L54 PolarHBondContact O-N 3.19Å; L54-V56 HydrophobicContact CB-CG1 4.08Å; L54-V56 WeakPolarHBondContact O-CG1 3.43Å; L54-V56 PolarHBondContact O-N 2.92Å
55V98.2Very high97.9Very high30 Ų3038.4 Ų38.418%0.18219%0.189CC..EExtended strand (participates in β ladder)trans-69.6117.7167.8-172.50000108.7I22 F48 Y50I22-V55 HydrophobicContact CD1-CB 4.26Å; I22-V55 HydrophobicContact CD1-CG1 3.35Å; F48-V55 HydrophobicContact CB-CG1 3.95Å; F48-V55 HydrophobicContact CD1-CG1 3.17Å; F48-V55 HydrophobicContact CD2-CG1 4.33Å; F48-V55 HydrophobicContact CE1-CG1 3.65Å; F48-V55 HydrophobicContact CG-CG1 3.57Å; F48-V55 HydrophobicContact CZ-CG1 4.38Å; Y50-V55 HydrophobicContact CD1-CG2 3.97Å; Y50-V55 HydrophobicContact CE1-CB 4.5Å; Y50-V55 HydrophobicContact CE1-CG2 3.35Å; Y50-V55 HydrophobicContact CE2-CG2 4.31Å
56V98.5Very high97.6Very high1 Ų141.1 Ų41.11%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-123.9-3.7-174.1-62.60000113.9V49 F51 L54 C79 L80 Y83 L88V49-V56 HydrophobicContact CG1-CG2 4.22Å; V49-V56 PolarHBondContact O-N 3.33Å; F51-V56 HydrophobicContact CB-CG1 4.05Å; F51-V56 HydrophobicContact CB-CG2 3.73Å; L54-V56 HydrophobicContact CB-CG1 4.08Å; L54-V56 WeakPolarHBondContact O-CG1 3.43Å; L54-V56 PolarHBondContact O-N 2.92Å; V56-C79 CarbonylContact O-C 3.57Å; V56-C79 VanDerWaalsContact O-CA 3.28Å; V56-C79 WeakPolarHBondContact O-CA 3.32Å; V56-L80 HydrophobicContact CB-CD1 4.49Å; V56-L80 WeakPolarHBondContact O-CG 3.32Å; V56-L80 PolarHBondContact O-N 3.02Å; V56-Y83 HydrophobicContact CB-CD1 4.1Å; V56-Y83 HydrophobicContact CB-CD2 3.82Å; V56-Y83 HydrophobicContact CB-CE1 4.5Å; V56-Y83 HydrophobicContact CB-CE2 4.24Å; V56-Y83 HydrophobicContact CB-CG 3.72Å; V56-Y83 HydrophobicContact CG1-CD1 3.68Å; V56-Y83 HydrophobicContact CG1-CD2 3.67Å; V56-Y83 HydrophobicContact CG1-CE1 3.61Å; V56-Y83 HydrophobicContact CG1-CE2 3.58Å; V56-Y83 HydrophobicContact CG1-CG 3.7Å; V56-Y83 HydrophobicContact CG2-CD1 4.29Å; V56-Y83 HydrophobicContact CG2-CG 4.16Å; V56-L88 HydrophobicContact CG2-CD1 3.56Å
57G98.7Very high97.1Very high0 Ų049.3 Ų49.30%024%0.244CC..EExtended strand (participates in β ladder)trans-175.8178.4-179.800000111.5F48 V49 G78F48-G57 WeakPolarHBondContact CA-O 3.49Å; V49-G57 PolarHBondContact N-O 3.31Å; G57-G78 CarbonylContact C-O 3.56Å; G57-G78 WeakPolarHBondContact CA-O 3.24Å
58A98.9Very high96.6Very high0 Ų053.9 Ų53.90%027%0.269CS..EExtended strand (participates in β ladder)trans-154.9159174.800000111.8I11 L19 K47 F48 L77 G78I11-A58 HydrophobicContact CD1-CB 4.42Å; L19-A58 HydrophobicContact CD1-CB 3.37Å; K47-A58 CarbonylContact O-C 3.54Å; K47-A58 VanDerWaalsContact O-CA 3.24Å; K47-A58 WeakPolarHBondContact O-CA 3.44Å; F48-A58 HydrophobicContact CD1-CB 3.93Å; F48-A58 HydrophobicContact CE1-CB 4.34Å; A58-L77 WeakPolarHBondContact O-CA 3.13Å; A58-G78 PolarHBondContact N-O 2.84Å; A58-G78 PolarHBondContact O-N 3.34Å; A58-G78 VanDerWaalsContact O-N 3.1Å
59V98.8Very high96.3Very high0 Ų054.8 Ų54.80%028%0.279CS..EExtended strand (participates in β ladder)trans-120.7135.6163.661.10000108.8A46 K47 T76 L77 M92 I96A46-V59 CarbonylContact C-O 3.46Å; A46-V59 VanDerWaalsContact CA-O 3.32Å; A46-V59 WeakPolarHBondContact CA-O 3.49Å; K47-V59 HydrophobicContact CB-CG1 4.23Å; K47-V59 PolarHBondContact N-O 3.33Å; K47-V59 PolarHBondContact O-N 3.34Å; V59-T76 CarbonylContact C-O 3.52Å; V59-T76 VanDerWaalsContact CA-O 3.29Å; V59-T76 WeakPolarHBondContact CA-O 3.44Å; V59-L77 HydrophobicContact CB-CG 4.31Å; V59-L77 HydrophobicContact CG2-CB 4.16Å; V59-L77 HydrophobicContact CG2-CD1 3.97Å; V59-L77 HydrophobicContact CG2-CG 4.13Å; V59-M92 HydrophobicContact CB-CB 4.04Å; V59-M92 HydrophobicContact CB-CG 4.33Å; V59-M92 HydrophobicContact CB-SD 4.03Å; V59-M92 HydrophobicContact CG1-CB 3.99Å; V59-M92 HydrophobicContact CG1-CG 4.15Å; V59-M92 HydrophobicContact CG1-SD 4.3Å; V59-I96 HydrophobicContact CG1-CD1 4.25Å; V59-I96 HydrophobicContact CG1-CG1 4.35Å; V59-I96 HydrophobicContact CG2-CD1 4.05Å; V59-I96 HydrophobicContact CG2-CG1 3.76Å
60C98.7Very high96.2Very high0 Ų057.2 Ų57.20%029%0.289CS..EExtended strand (participates in β ladder)trans-136.5122.8175.3-56.90000108.7F35 V39 M75 T76F35-C60 HydrophobicContact CZ-CB 4.33Å; V39-C60 HydrophobicContact CG2-CB 4.27Å; C60-M75 HydrophobicContact CB-CE 4.12Å; C60-M75 WeakPolarHBondContact O-CB 3.39Å; C60-M75 PolarHBondContact O-N 3.23Å; C60-T76 VanDerWaalsContact CB-OG1 3.32Å; C60-T76 WeakPolarHBondContact CB-OG1 3.38Å; C60-T76 PolarHBondContact N-O 3.05Å; C60-T76 PolarHBondContact O-N 3.21Å
61C98.6Very high96.1Very high0 Ų056 Ų560%029%0.285CS..EExtended strand (participates in β ladder)trans-127.1151.1-176.4-61.50000110.1L42 L45 L72 Y73 I96L42-C61 WeakPolarHBondContact CD1-O 3.34Å; L45-C61 HydrophobicContact CB-CB 4.19Å; L45-C61 WeakPolarHBondContact CB-O 3.15Å; L45-C61 PolarHBondContact O-N 3.3Å; C61-L72 HydrophobicContact CB-CD1 4.04Å; C61-L72 HydrophobicContact CB-CD2 3.7Å; C61-L72 HydrophobicContact CB-CG 3.93Å; C61-Y73 CarbonylContact C-O 3.49Å; C61-Y73 VanDerWaalsContact CA-O 3.22Å; C61-Y73 WeakPolarHBondContact CA-O 3.32Å; C61-I96 HydrophobicContact CB-CD1 4.4Å
62R97.4Very high96.2Very high114 Ų11454.3 Ų54.343%0.4328%0.277SS..EExtended strand (participates in β ladder)trans-130.5153.117166.8178.1-179.5-170.93.6110.2L42 I64 Y73 M75L42-R62 HydrophobicContact CD2-CB 4.39Å; R62-I64 HydrophobicContact CG-CD1 4.13Å; R62-Y73 HydrophobicContact CG-CD1 4.1Å; R62-Y73 PolarHBondContact N-O 3.28Å; R62-Y73 PolarHBondContact O-N 2.94Å; R62-M75 HydrophobicContact CB-CE 3.95Å; R62-M75 HydrophobicContact CB-SD 4.18Å; R62-M75 HydrophobicContact CG-CE 4.28Å; R62-M75 HydrophobicContact CG-CG 4.18Å; R62-M75 HydrophobicContact CG-SD 3.9Å
63V97.7Very high96.3Very high49 Ų4951.4 Ų51.430%0.29726%0.261SS..EExtended strand (participates in β ladder)trans-90.9133.1175.4-1800000109.1L45 M65 K70L45-V63 HydrophobicContact CD1-CG2 3.58Å; V63-M65 HydrophobicContact CG1-CE 4.45Å; V63-M65 HydrophobicContact CG1-SD 4.47Å; V63-K70 HydrophobicContact CG1-CB 3.82Å; V63-K70 HydrophobicContact CG1-CD 3.53Å; V63-K70 HydrophobicContact CG1-CG 4.17Å
64I97.4Very high96.5Very high44 Ų4447 Ų4723%0.22624%0.237CC..EExtended strand (participates in β ladder)trans-113.1128.4174.3-55.9-60.2000107.3R62 K70 K71 Y110R62-I64 HydrophobicContact CG-CD1 4.13Å; I64-K70 CarbonylContact O-C 3.48Å; I64-K70 WeakPolarHBondContact O-CA 3.5Å; I64-K71 PolarHBondContact N-O 2.99Å; I64-K71 PolarHBondContact O-N 3.13Å; I64-Y110 HydrophobicContact CG1-CE1 4.34Å
65M95.9Very high96.5Very high138 Ų13843.8 Ų43.868%0.6822%0.22SC*.EExtended strand (participates in β ladder)trans-84.1133.8174.7-55.3-62.3-178.300109.1V63 K70V63-M65 HydrophobicContact CG1-CE 4.45Å; V63-M65 HydrophobicContact CG1-SD 4.47Å; M65-K70 HydrophobicContact CE-CD 4.05Å; M65-K70 HydrophobicContact SD-CD 3.65Å; M65-K70 HydrophobicContact SD-CG 3.65Å
66E91.4Very high96.6Very high86 Ų8642.4 Ų42.440%0.40221%0.212SC..EExtended strand (participates in β ladder)trans-125.7173.3170.5-67.7-165.5170.800109.9I68 G69 K71E66-I68 VanDerWaalsContact C-N 3.29Å; E66-I68 PolarHBondContact O-N 3.03Å; E66-G69 CarbonylContact C-O 3.55Å; E66-G69 WeakPolarHBondContact CA-O 3.34Å; E66-G69 PolarHBondContact N-O 2.88Å; E66-G69 PolarHBondContact O-N 3.37Å; E66-K71 HydrophobicContact CG-CG 4.37Å; E66-K71 VanDerWaalsContact OE1-CD 3.23Å; E66-K71 WeakPolarHBondContact OE1-CD 3.45Å; E66-K71 VanDerWaalsContact OE1-CE 3.24Å; E66-K71 WeakPolarHBondContact OE1-CE 3.29Å; E66-K71 IonicContact OE1-NZ 2.8Å; E66-K71 PolarHBondContact OE1-NZ 3.46Å; E66-K71 WeakPolarHBondContact OE2-CE 3.18Å; E66-K71 IonicContact OE2-NZ 2.91Å; E66-K71 PolarHBondContact OE2-NZ 2.84Å
67D89.4Confident96.6Very high176 Ų17643.4 Ų43.494%0.94122%0.217SC*.THydrogen-bonded Turntrans-60.7-35.7-173.6-62.7-30000113.5
68I87.9Confident96.5Very high128 Ų12844 Ų4466%0.65622%0.223SC*.THydrogen-bonded Turntrans-102.2-1.4-174.561167.9000113.9E66 L107E66-I68 VanDerWaalsContact C-N 3.29Å; E66-I68 PolarHBondContact O-N 3.03Å; I68-L107 HydrophobicContact CD1-CD1 4.12Å; I68-L107 HydrophobicContact CG1-CD1 3.99Å; I68-L107 WeakPolarHBondContact O-CD1 3.48Å
69G92.6Very high96.5Very high20 Ų2044.4 Ų44.421%0.20623%0.226CC..EExtended strand (participates in β ladder)trans157.8-155.7-174.800000112.6E66E66-G69 CarbonylContact C-O 3.55Å; E66-G69 WeakPolarHBondContact CA-O 3.34Å; E66-G69 PolarHBondContact N-O 2.88Å; E66-G69 PolarHBondContact O-N 3.37Å
70K96.3Very high96.5Very high51 Ų5146 Ų4622%0.22223%0.234CC..EExtended strand (participates in β ladder)trans-114.2150.6180-45.9-171.3-164.8145.50111.1V63 I64 M65 D103 S105 I106 L107V63-K70 HydrophobicContact CG1-CB 3.82Å; V63-K70 HydrophobicContact CG1-CD 3.53Å; V63-K70 HydrophobicContact CG1-CG 4.17Å; I64-K70 CarbonylContact O-C 3.48Å; I64-K70 WeakPolarHBondContact O-CA 3.5Å; M65-K70 HydrophobicContact CE-CD 4.05Å; M65-K70 HydrophobicContact SD-CD 3.65Å; M65-K70 HydrophobicContact SD-CG 3.65Å; K70-D103 IonicContact NZ-OD1 3.72Å; K70-D103 IonicContact NZ-OD2 3Å; K70-D103 PolarHBondContact NZ-OD2 3.25Å; K70-S105 WeakPolarHBondContact CA-O 3.4Å; K70-S105 WeakPolarHBondContact CB-O 3.23Å; K70-S105 VanDerWaalsContact CD-OG 3.25Å; K70-S105 WeakPolarHBondContact CD-OG 3.19Å; K70-S105 WeakPolarHBondContact CE-OG 3.48Å; K70-S105 PolarHBondContact N-O 3.42Å; K70-S105 PolarHBondContact NZ-OG 3.1Å; K70-I106 HydrophobicContact CB-CG1 4.22Å; K70-I106 CarbonylContact O-C 3.56Å; K70-I106 WeakPolarHBondContact O-CA 3.42Å; K70-L107 PolarHBondContact O-N 3.13Å
71K97.3Very high96.4Very high30 Ų3049.3 Ų49.313%0.1326%0.255CS..EExtended strand (participates in β ladder)trans-116.8141.1165.2-62.4-165175.2151.60110.4I64 E66 S108 Y110 E151I64-K71 PolarHBondContact N-O 2.99Å; I64-K71 PolarHBondContact O-N 3.13Å; E66-K71 HydrophobicContact CG-CG 4.37Å; E66-K71 VanDerWaalsContact OE1-CD 3.23Å; E66-K71 WeakPolarHBondContact OE1-CD 3.45Å; E66-K71 VanDerWaalsContact OE1-CE 3.24Å; E66-K71 WeakPolarHBondContact OE1-CE 3.29Å; E66-K71 IonicContact OE1-NZ 2.8Å; E66-K71 PolarHBondContact OE1-NZ 3.46Å; E66-K71 WeakPolarHBondContact OE2-CE 3.18Å; E66-K71 IonicContact OE2-NZ 2.91Å; E66-K71 PolarHBondContact OE2-NZ 2.84Å; K71-S108 WeakPolarHBondContact CA-O 3.46Å; K71-S108 VanDerWaalsContact CD-OG 3.26Å; K71-S108 WeakPolarHBondContact CD-OG 3.47Å; K71-S108 WeakPolarHBondContact CE-OG 3.37Å; K71-S108 VanDerWaalsContact CG-OG 3.28Å; K71-S108 WeakPolarHBondContact CG-OG 3.44Å; K71-Y110 HydrophobicContact CB-CD1 3.91Å; K71-Y110 HydrophobicContact CB-CE1 3.85Å; K71-Y110 HydrophobicContact CD-CD1 4.17Å; K71-Y110 HydrophobicContact CD-CE1 4.36Å; K71-E151 WeakPolarHBondContact CD-OE1 3.23Å; K71-E151 WeakPolarHBondContact CE-OE1 3.11Å; K71-E151 IonicContact NZ-OE1 3.47Å; K71-E151 PolarHBondContact NZ-OE1 3.38Å
72L98.3Very high96.4Very high0 Ų054.4 Ų54.40%029%0.291CS..EExtended strand (participates in β ladder)trans-95.1119.6170.6-177.6144.8000109.8L45 C61 I74 I96 I106 S108 I109 Y110L45-L72 HydrophobicContact CD2-CD1 3.8Å; C61-L72 HydrophobicContact CB-CD1 4.04Å; C61-L72 HydrophobicContact CB-CD2 3.7Å; C61-L72 HydrophobicContact CB-CG 3.93Å; L72-I74 HydrophobicContact CD2-CG1 3.92Å; L72-I96 HydrophobicContact CD1-CG2 4.1Å; L72-I96 HydrophobicContact CD2-CG2 3.62Å; L72-I106 HydrophobicContact CB-CG2 3.91Å; L72-I106 HydrophobicContact CD1-CD1 4.42Å; L72-S108 PolarHBondContact N-O 3.06Å; L72-I109 HydrophobicContact CB-CG1 4.23Å; L72-I109 HydrophobicContact CD2-CG1 4.3Å; L72-I109 HydrophobicContact CD2-CG2 3.69Å; L72-I109 CarbonylContact O-C 3.51Å; L72-I109 VanDerWaalsContact O-CA 3.28Å; L72-I109 WeakPolarHBondContact O-CA 3.22Å; L72-Y110 PolarHBondContact O-N 2.83Å
73Y98.5Very high96.4Very high19 Ų1951.6 Ų51.68%0.07528%0.281CS..EExtended strand (participates in β ladder)trans-95.9118.1176.3-179.5-119.8000110.6C61 R62 M75 Y110 H112 Y138C61-Y73 CarbonylContact C-O 3.49Å; C61-Y73 VanDerWaalsContact CA-O 3.22Å; C61-Y73 WeakPolarHBondContact CA-O 3.32Å; R62-Y73 HydrophobicContact CG-CD1 4.1Å; R62-Y73 PolarHBondContact N-O 3.28Å; R62-Y73 PolarHBondContact O-N 2.94Å; Y73-M75 HydrophobicContact CD1-CB 4.46Å; Y73-M75 HydrophobicContact CD1-CG 3.48Å; Y73-M75 VanDerWaalsContact CD1-CG 3.48Å; Y73-M75 HydrophobicContact CE1-CB 4.27Å; Y73-M75 HydrophobicContact CE1-CG 3.61Å; Y73-M75 PolarHBondContact O-N 3.47Å; Y73-Y110 WeakPolarHBondContact CA-O 3.33Å; Y73-Y110 HydrophobicContact CD2-CD1 4.28Å; Y73-Y110 AromaticContact CD2-CD2 3.81Å; Y73-Y110 HydrophobicContact CD2-CD2 3.81Å; Y73-Y110 AromaticContact CD2-CE1 3.91Å; Y73-Y110 HydrophobicContact CD2-CE1 3.91Å; Y73-Y110 AromaticContact CD2-CE2 3.4Å; Y73-Y110 HydrophobicContact CD2-CE2 3.4Å; Y73-Y110 VanDerWaalsContact CD2-CE2 3.4Å; Y73-Y110 HydrophobicContact CD2-CG 4.24Å; Y73-Y110 AromaticContact CD2-CZ 3.46Å; Y73-Y110 VanDerWaalsContact CD2-CZ 3.46Å; Y73-Y110 WeakPolarHBondContact CD2-O 3.45Å; Y73-Y110 HydrophobicContact CE2-CD2 4.28Å; Y73-Y110 AromaticContact CE2-CE2 3.91Å; Y73-Y110 HydrophobicContact CE2-CE2 3.91Å; Y73-Y110 HydrophobicContact CG-CE1 4.18Å; Y73-Y110 HydrophobicContact CG-CE2 4.28Å; Y73-Y110 AromaticContact CG-CZ 3.88Å; Y73-H112 AromaticContact CE2-ND1 3.46Å; Y73-H112 WeakPolarHBondContact CE2-ND1 2.96Å; Y73-H112 AromaticContact CZ-ND1 3.94Å; Y73-Y138 PolarHBondContact OH-OH 2.8Å
74I98.8Very high96.3Very high5 Ų555.3 Ų55.33%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-79.7108.3171.1-53.6179.2000108.3L72 L77 L93 I109 Y110 L111 Y124 F129L72-I74 HydrophobicContact CD2-CG1 3.92Å; I74-L77 HydrophobicContact CG2-CB 3.77Å; I74-L93 HydrophobicContact CD1-CD1 3.87Å; I74-I109 HydrophobicContact CD1-CG2 3.73Å; I74-I109 HydrophobicContact CG1-CG2 3.79Å; I74-Y110 PolarHBondContact N-O 3.21Å; I74-L111 HydrophobicContact CB-CB 4.03Å; I74-L111 HydrophobicContact CD1-CD2 4.27Å; I74-Y124 HydrophobicContact CD1-CE1 4.27Å; I74-F129 HydrophobicContact CD1-CZ 4.45Å
75M98.3Very high96.2Very high28 Ų2859.9 Ų59.914%0.13832%0.324CS..EExtended strand (participates in β ladder)trans-80.3-42.9-180-64.2178.9-71.500111.9Y31 F35 L42 C60 R62 Y73Y31-M75 PolarHBondContact OH-O 2.83Å; Y31-M75 VanDerWaalsContact OH-O 3.13Å; F35-M75 HydrophobicContact CD2-SD 4.24Å; F35-M75 HydrophobicContact CE2-CB 4.06Å; F35-M75 HydrophobicContact CE2-CE 4.14Å; F35-M75 HydrophobicContact CE2-SD 3.94Å; L42-M75 HydrophobicContact CD1-CE 3.68Å; C60-M75 HydrophobicContact CB-CE 4.12Å; C60-M75 WeakPolarHBondContact O-CB 3.39Å; C60-M75 PolarHBondContact O-N 3.23Å; R62-M75 HydrophobicContact CB-CE 3.95Å; R62-M75 HydrophobicContact CB-SD 4.18Å; R62-M75 HydrophobicContact CG-CE 4.28Å; R62-M75 HydrophobicContact CG-CG 4.18Å; R62-M75 HydrophobicContact CG-SD 3.9Å; Y73-M75 HydrophobicContact CD1-CB 4.46Å; Y73-M75 HydrophobicContact CD1-CG 3.48Å; Y73-M75 VanDerWaalsContact CD1-CG 3.48Å; Y73-M75 HydrophobicContact CE1-CB 4.27Å; Y73-M75 HydrophobicContact CE1-CG 3.61Å; Y73-M75 PolarHBondContact O-N 3.47Å
76T98.5Very high96.3Very high2 Ų257.6 Ų57.61%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-144.8132.517753.20000109F27 Y31 F35 V59 C60F27-T76 HydrophobicContact CD2-CG2 4.05Å; F27-T76 HydrophobicContact CE2-CG2 3.64Å; F27-T76 HydrophobicContact CZ-CG2 4Å; Y31-T76 HydrophobicContact CE1-CG2 3.97Å; Y31-T76 HydrophobicContact CE2-CG2 3.7Å; Y31-T76 WeakPolarHBondContact OH-CG2 3.37Å; F35-T76 HydrophobicContact CZ-CG2 4.09Å; V59-T76 CarbonylContact C-O 3.52Å; V59-T76 VanDerWaalsContact CA-O 3.29Å; V59-T76 WeakPolarHBondContact CA-O 3.44Å; C60-T76 VanDerWaalsContact CB-OG1 3.32Å; C60-T76 WeakPolarHBondContact CB-OG1 3.38Å; C60-T76 PolarHBondContact N-O 3.05Å; C60-T76 PolarHBondContact O-N 3.21Å
77L98.7Very high96.5Very high21 Ų2155.6 Ų55.611%0.1132%0.316CS..EExtended strand (participates in β ladder)trans-144.1117.2165.3-176161.3000107.3A58 V59 I74 M92 L93 F123A58-L77 WeakPolarHBondContact O-CA 3.13Å; V59-L77 HydrophobicContact CB-CG 4.31Å; V59-L77 HydrophobicContact CG2-CB 4.16Å; V59-L77 HydrophobicContact CG2-CD1 3.97Å; V59-L77 HydrophobicContact CG2-CG 4.13Å; I74-L77 HydrophobicContact CG2-CB 3.77Å; L77-M92 HydrophobicContact CD1-CB 4.37Å; L77-M92 HydrophobicContact CD2-CE 3.93Å; L77-M92 HydrophobicContact CG-CB 4.4Å; L77-M92 HydrophobicContact CG-CE 4.14Å; L77-L93 HydrophobicContact CD1-CB 4.14Å; L77-L93 HydrophobicContact CD1-CD1 4.35Å; L77-F123 HydrophobicContact CD2-CE1 4.25Å
78G98.2Very high97Very high13 Ų1347.3 Ų47.313%0.13427%0.272CS..EExtended strand (participates in β ladder)trans-179.4163.1-179.600000114.2G57 A58G57-G78 CarbonylContact C-O 3.56Å; G57-G78 WeakPolarHBondContact CA-O 3.24Å; A58-G78 PolarHBondContact N-O 2.84Å; A58-G78 PolarHBondContact O-N 3.34Å; A58-G78 VanDerWaalsContact O-N 3.1Å
79C98.1Very high97.5Very high9 Ų942.2 Ų42.26%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-126.8154.7178.3-590000110.2V56 R84 L88 M92V56-C79 CarbonylContact O-C 3.57Å; V56-C79 VanDerWaalsContact O-CA 3.28Å; V56-C79 WeakPolarHBondContact O-CA 3.32Å; C79-R84 PolarHBondContact O-NE 3.47Å; C79-L88 VanDerWaalsContact SG-CB 3.58Å; C79-M92 WeakPolarHBondContact SG-CE 3.49Å
80L98.5Very high97.7Very high34 Ų3443.3 Ų43.318%0.17825%0.254CS..  trans-50.5141.7170.6-67.9176.3000110.2I25 V26 V56 S82 Y83I25-L80 HydrophobicContact CB-CD2 4Å; I25-L80 HydrophobicContact CD1-CD2 3.96Å; I25-L80 HydrophobicContact CG2-CD2 3.77Å; V26-L80 HydrophobicContact CG2-CD2 4.27Å; V56-L80 HydrophobicContact CB-CD1 4.49Å; V56-L80 WeakPolarHBondContact O-CG 3.32Å; V56-L80 PolarHBondContact O-N 3.02Å; L80-S82 VanDerWaalsContact C-N 3.28Å; L80-S82 PolarHBondContact O-N 2.75Å; L80-S82 VanDerWaalsContact O-N 3.1Å; L80-Y83 HydrophobicContact CB-CD2 3.92Å; L80-Y83 HydrophobicContact CD1-CD2 4.47Å; L80-Y83 HydrophobicContact CD1-CE2 4.43Å; L80-Y83 PolarHBondContact O-N 3.46Å
81P97.4Very high97.8Very high68 Ų6843.8 Ų43.844%0.44226%0.257SS..G310 helixtrans-48.1-43.1-173.8-30.634.8000115.4Y83 R84P81-Y83 PolarHBondContact O-N 2.96Å; P81-R84 PolarHBondContact O-N 3.1Å
82S97.6Very high97.9Very high107 Ų10742.3 Ų42.375%0.74825%0.251SS*.G310 helixtrans-69.2-9.5-178.8-50.40000115L80L80-S82 VanDerWaalsContact C-N 3.28Å; L80-S82 PolarHBondContact O-N 2.75Å; L80-S82 VanDerWaalsContact O-N 3.1Å
83Y97.6Very high97.9Very high55 Ų5542.3 Ų42.322%0.21625%0.251CS..G310 helixtrans-116.511.2-178.2-60.7-90.2000112.5F51 V56 L80 P81 L86F51-Y83 HydrophobicContact CB-CD1 3.93Å; F51-Y83 HydrophobicContact CB-CE1 4.1Å; F51-Y83 AromaticContact CD1-CD1 3.84Å; F51-Y83 HydrophobicContact CD1-CD1 3.84Å; F51-Y83 AromaticContact CD1-CE1 3.58Å; F51-Y83 HydrophobicContact CD1-CE1 3.58Å; F51-Y83 HydrophobicContact CD2-CD1 4.33Å; F51-Y83 HydrophobicContact CE1-CD1 4.41Å; F51-Y83 HydrophobicContact CE1-CE1 4.2Å; F51-Y83 AromaticContact CG-CD1 3.78Å; F51-Y83 HydrophobicContact CG-CD1 3.78Å; F51-Y83 AromaticContact CG-CE1 3.95Å; F51-Y83 HydrophobicContact CG-CE1 3.95Å; V56-Y83 HydrophobicContact CB-CD1 4.1Å; V56-Y83 HydrophobicContact CB-CD2 3.82Å; V56-Y83 HydrophobicContact CB-CE1 4.5Å; V56-Y83 HydrophobicContact CB-CE2 4.24Å; V56-Y83 HydrophobicContact CB-CG 3.72Å; V56-Y83 HydrophobicContact CG1-CD1 3.68Å; V56-Y83 HydrophobicContact CG1-CD2 3.67Å; V56-Y83 HydrophobicContact CG1-CE1 3.61Å; V56-Y83 HydrophobicContact CG1-CE2 3.58Å; V56-Y83 HydrophobicContact CG1-CG 3.7Å; V56-Y83 HydrophobicContact CG2-CD1 4.29Å; V56-Y83 HydrophobicContact CG2-CG 4.16Å; L80-Y83 HydrophobicContact CB-CD2 3.92Å; L80-Y83 HydrophobicContact CD1-CD2 4.47Å; L80-Y83 HydrophobicContact CD1-CE2 4.43Å; L80-Y83 PolarHBondContact O-N 3.46Å; P81-Y83 PolarHBondContact O-N 2.96Å; Y83-L86 HydrophobicContact CD1-CD1 4.48Å
84R96.6Very high97.9Very high128 Ų12846.3 Ų46.348%0.48327%0.27SS..THydrogen-bonded Turntrans-75.4160.9173.9-63.9178.1-174.3168.40.7110.4C79 P81 L86C79-R84 PolarHBondContact O-NE 3.47Å; P81-R84 PolarHBondContact O-N 3.1Å; R84-L86 PolarHBondContact O-N 2.81Å; R84-L86 VanDerWaalsContact O-N 3.16Å
85C95.2Very high97.9Very high139 Ų13948.6 Ų48.694%0.93928%0.279SS*.THydrogen-bonded Turntrans60.621.1179.6-52.60000114.6
86L96.3Very high97.9Very high91 Ų9147.3 Ų47.348%0.47627%0.272SS..SBendtrans-108.216.5175.7-59.6178.9000113F51 Y83 R84 L88F51-L86 HydrophobicContact CD2-CD1 4.24Å; F51-L86 HydrophobicContact CE2-CD1 3.66Å; F51-L86 HydrophobicContact CZ-CD1 4.03Å; Y83-L86 HydrophobicContact CD1-CD1 4.48Å; R84-L86 PolarHBondContact O-N 2.81Å; R84-L86 VanDerWaalsContact O-N 3.16Å; L86-L88 VanDerWaalsContact C-N 3.27Å; L86-L88 HydrophobicContact CB-CG 4.32Å; L86-L88 PolarHBondContact O-N 2.65Å
87G97.2Very high97.9Very high43 Ų4348.1 Ų48.144%0.44328%0.276SS..SBendtrans780.3-178.100000115.5G89 T90 M91G87-G89 PolarHBondContact O-N 3.05Å; G87-T90 WeakPolarHBondContact O-CB 3.47Å; G87-T90 PolarHBondContact O-N 3.36Å; G87-M91 PolarHBondContact O-N 3.14Å
88L98.3Very high97.8Very high3 Ų351.9 Ų51.92%0.01629%0.293CS..Hα-helixtrans-64.7-39.6-178-56.3-172.2000113.5V6 V49 F51 V56 C79 L86 T90 M91 M92V6-L88 HydrophobicContact CB-CD2 4.31Å; V6-L88 HydrophobicContact CG1-CD2 3.31Å; V6-L88 HydrophobicContact CG2-CD2 3.94Å; V49-L88 HydrophobicContact CG1-CB 4.5Å; V49-L88 HydrophobicContact CG2-CB 4.19Å; V49-L88 HydrophobicContact CG2-CD1 4.44Å; V49-L88 HydrophobicContact CG2-CD2 3.95Å; V49-L88 HydrophobicContact CG2-CG 4.42Å; F51-L88 HydrophobicContact CD2-CD1 4.4Å; F51-L88 HydrophobicContact CD2-CD2 4.37Å; V56-L88 HydrophobicContact CG2-CD1 3.56Å; C79-L88 VanDerWaalsContact SG-CB 3.58Å; L86-L88 VanDerWaalsContact C-N 3.27Å; L86-L88 HydrophobicContact CB-CG 4.32Å; L86-L88 PolarHBondContact O-N 2.65Å; L88-T90 VanDerWaalsContact C-N 3.35Å; L88-M91 PolarHBondContact O-N 3.18Å; L88-M92 WeakPolarHBondContact O-CG 3.45Å; L88-M92 PolarHBondContact O-N 3.1Å
89G98.3Very high97.7Very high20 Ų2052.5 Ų52.521%0.20630%0.295CS..Hα-helixtrans-61.3-44.5174.500000111.8G87 M92 L93 F123G87-G89 PolarHBondContact O-N 3.05Å; G89-M92 PolarHBondContact O-N 3.13Å; G89-L93 WeakPolarHBondContact O-CB 3.38Å; G89-L93 PolarHBondContact O-N 3.12Å; G89-F123 VanDerWaalsContact C-CZ 3.48Å; G89-F123 WeakPolarHBondContact O-CZ 3.47Å
90T98.5Very high97.7Very high44 Ų4452.3 Ų52.327%0.2729%0.294SS..Hα-helixtrans-58.5-50174.2-59.20000111.1G87 L88 M92 L93 E94 F127G87-T90 WeakPolarHBondContact O-CB 3.47Å; G87-T90 PolarHBondContact O-N 3.36Å; L88-T90 VanDerWaalsContact C-N 3.35Å; T90-M92 VanDerWaalsContact C-N 3.31Å; T90-M92 PolarHBondContact O-N 3Å; T90-L93 PolarHBondContact O-N 2.85Å; T90-L93 VanDerWaalsContact O-N 3.13Å; T90-E94 HydrophobicContact CG2-CG 4.14Å; T90-E94 WeakPolarHBondContact CG2-OE1 3.22Å; T90-E94 WeakPolarHBondContact O-CB 3.41Å; T90-E94 WeakPolarHBondContact O-CG 3.4Å; T90-E94 PolarHBondContact O-N 2.83Å; T90-F127 HydrophobicContact CG2-CE1 3.98Å; T90-F127 HydrophobicContact CG2-CZ 3.6Å
91M98.4Very high97.5Very high60 Ų6058.4 Ų58.430%0.29631%0.314SS..Hα-helixtrans-56.7-44.4179-175.1-171.4-164.600112.3V6 L8 V49 G87 L88 Y95V6-M91 HydrophobicContact CB-SD 4.29Å; V6-M91 HydrophobicContact CG1-CE 4.15Å; V6-M91 HydrophobicContact CG1-SD 3.32Å; V6-M91 WeakPolarHBondContact CG1-SD 3.46Å; L8-M91 HydrophobicContact CG-CE 4.2Å; L8-M91 HydrophobicContact CG-SD 4.48Å; V49-M91 HydrophobicContact CG2-SD 4.37Å; G87-M91 PolarHBondContact O-N 3.14Å; L88-M91 PolarHBondContact O-N 3.18Å; M91-Y95 WeakPolarHBondContact O-CB 3.46Å; M91-Y95 PolarHBondContact O-N 3.47Å; M91-Y95 VanDerWaalsContact O-N 3.12Å
92M98.8Very high97.3Very high0 Ų059.8 Ų59.80%033%0.326CS..Hα-helixtrans-65.1-43177.2-72.4-174.5-64.600111.9L8 V49 V59 L77 C79 L88 G89 T90 Y95 I96L8-M92 HydrophobicContact CD2-CG 4.03Å; V49-M92 HydrophobicContact CB-CG 4.04Å; V49-M92 HydrophobicContact CB-SD 3.92Å; V49-M92 HydrophobicContact CG1-CE 4.09Å; V49-M92 HydrophobicContact CG1-CG 4.29Å; V49-M92 HydrophobicContact CG1-SD 3.6Å; V59-M92 HydrophobicContact CB-CB 4.04Å; V59-M92 HydrophobicContact CB-CG 4.33Å; V59-M92 HydrophobicContact CB-SD 4.03Å; V59-M92 HydrophobicContact CG1-CB 3.99Å; V59-M92 HydrophobicContact CG1-CG 4.15Å; V59-M92 HydrophobicContact CG1-SD 4.3Å; L77-M92 HydrophobicContact CD1-CB 4.37Å; L77-M92 HydrophobicContact CD2-CE 3.93Å; L77-M92 HydrophobicContact CG-CB 4.4Å; L77-M92 HydrophobicContact CG-CE 4.14Å; C79-M92 WeakPolarHBondContact SG-CE 3.49Å; L88-M92 WeakPolarHBondContact O-CG 3.45Å; L88-M92 PolarHBondContact O-N 3.1Å; G89-M92 PolarHBondContact O-N 3.13Å; T90-M92 VanDerWaalsContact C-N 3.31Å; T90-M92 PolarHBondContact O-N 3Å; M92-Y95 PolarHBondContact O-N 3.33Å; M92-I96 WeakPolarHBondContact O-CG1 3.32Å; M92-I96 PolarHBondContact O-N 3.37Å; M92-I96 VanDerWaalsContact O-N 3.14Å
93L98.7Very high97.1Very high0 Ų057.1 Ų57.10%030%0.303CS..Hα-helixtrans-69.4-41.9-178.8-175.859.7000112.4I74 L77 G89 T90 Y95 I96 F97 F123 Y124 F127 F129I74-L93 HydrophobicContact CD1-CD1 3.87Å; L77-L93 HydrophobicContact CD1-CB 4.14Å; L77-L93 HydrophobicContact CD1-CD1 4.35Å; G89-L93 WeakPolarHBondContact O-CB 3.38Å; G89-L93 PolarHBondContact O-N 3.12Å; T90-L93 PolarHBondContact O-N 2.85Å; T90-L93 VanDerWaalsContact O-N 3.13Å; L93-Y95 VanDerWaalsContact C-N 3.3Å; L93-Y95 PolarHBondContact O-N 3.26Å; L93-I96 PolarHBondContact O-N 3.28Å; L93-I96 VanDerWaalsContact O-N 3.13Å; L93-F97 HydrophobicContact CD1-CD1 4.47Å; L93-F97 HydrophobicContact CD1-CE1 3.85Å; L93-F97 HydrophobicContact CD1-CZ 3.99Å; L93-F97 HydrophobicContact CD2-CE2 4.43Å; L93-F97 HydrophobicContact CD2-CZ 4.06Å; L93-F97 HydrophobicContact CG-CE1 4.1Å; L93-F97 HydrophobicContact CG-CE2 4.05Å; L93-F97 HydrophobicContact CG-CZ 3.76Å; L93-F97 WeakPolarHBondContact O-CG 3.49Å; L93-F97 PolarHBondContact O-N 3.07Å; L93-F123 HydrophobicContact CB-CZ 4.21Å; L93-F123 HydrophobicContact CD2-CE1 3.84Å; L93-F123 HydrophobicContact CD2-CZ 3.89Å; L93-Y124 HydrophobicContact CD1-CE1 4.43Å; L93-Y124 HydrophobicContact CD2-CD1 4.24Å; L93-Y124 HydrophobicContact CD2-CE1 4.35Å; L93-F127 HydrophobicContact CD2-CB 3.81Å; L93-F127 HydrophobicContact CD2-CD1 4Å; L93-F127 HydrophobicContact CD2-CD2 3.42Å; L93-F127 VanDerWaalsContact CD2-CD2 3.42Å; L93-F127 HydrophobicContact CD2-CE1 4.46Å; L93-F127 HydrophobicContact CD2-CE2 3.98Å; L93-F127 HydrophobicContact CD2-CG 3.45Å; L93-F127 VanDerWaalsContact CD2-CG 3.45Å; L93-F127 HydrophobicContact CD2-CZ 4.46Å; L93-F129 HydrophobicContact CD1-CE2 4.21Å; L93-F129 HydrophobicContact CD1-CZ 4.31Å; L93-F129 HydrophobicContact CD2-CE2 4.22Å
94E98.4Very high96.9Very high103 Ų10362.9 Ų62.948%0.48133%0.332SS..Hα-helixtrans-62.1-38.3175.2-73.9176169.200112T90 I96 F97 E98 F127T90-E94 HydrophobicContact CG2-CG 4.14Å; T90-E94 WeakPolarHBondContact CG2-OE1 3.22Å; T90-E94 WeakPolarHBondContact O-CB 3.41Å; T90-E94 WeakPolarHBondContact O-CG 3.4Å; T90-E94 PolarHBondContact O-N 2.83Å; E94-I96 VanDerWaalsContact C-N 3.35Å; E94-F97 WeakPolarHBondContact O-CB 3.37Å; E94-F97 PolarHBondContact O-N 3.46Å; E94-E98 PolarHBondContact O-N 2.93Å; E94-F127 HydrophobicContact CG-CE1 4.45Å
95Y98.5Very high96.7Very high53 Ų5358.7 Ų58.721%0.20832%0.322CS..Hα-helixtrans-61-42.7172.1167.8-96.1000112L8 P44 K47 M91 M92 L93 F97 E98 C99L8-Y95 VanDerWaalsContact CD1-CB 3.45Å; L8-Y95 HydrophobicContact CD1-CD1 3.91Å; L8-Y95 HydrophobicContact CD1-CD2 3.53Å; L8-Y95 HydrophobicContact CD1-CE2 4.28Å; L8-Y95 HydrophobicContact CD1-CG 3.32Å; P44-Y95 WeakPolarHBondContact CA-OH 3.09Å; P44-Y95 WeakPolarHBondContact CB-OH 3.42Å; P44-Y95 WeakPolarHBondContact O-CE1 3.41Å; P44-Y95 VanDerWaalsContact O-CZ 3.31Å; P44-Y95 PolarHBondContact O-OH 2.9Å; K47-Y95 HydrophobicContact CB-CE1 4.4Å; K47-Y95 WeakPolarHBondContact CE-OH 3.32Å; K47-Y95 HydrophobicContact CG-CD1 4.23Å; K47-Y95 HydrophobicContact CG-CE1 3.48Å; K47-Y95 VanDerWaalsContact CG-CE1 3.48Å; M91-Y95 WeakPolarHBondContact O-CB 3.46Å; M91-Y95 PolarHBondContact O-N 3.47Å; M91-Y95 VanDerWaalsContact O-N 3.12Å; M92-Y95 PolarHBondContact O-N 3.33Å; L93-Y95 VanDerWaalsContact C-N 3.3Å; L93-Y95 PolarHBondContact O-N 3.26Å; Y95-F97 VanDerWaalsContact C-N 3.32Å; Y95-F97 PolarHBondContact O-N 2.94Å; Y95-E98 WeakPolarHBondContact O-CB 3.39Å; Y95-E98 PolarHBondContact O-N 2.94Å; Y95-E98 VanDerWaalsContact O-N 3.15Å; Y95-C99 PolarHBondContact O-N 3.48Å; Y95-C99 PolarHBondContact O-SG 2.89Å; Y95-C99 VanDerWaalsContact O-SG 3.4Å
96I98.5Very high96.8Very high0 Ų052.4 Ų52.40%028%0.279CS..Hα-helixtrans-64.2-38.4175-65.1-57.9000111.4V59 C61 L72 M92 L93 E94 E98 C99 C100 I109V59-I96 HydrophobicContact CG1-CD1 4.25Å; V59-I96 HydrophobicContact CG1-CG1 4.35Å; V59-I96 HydrophobicContact CG2-CD1 4.05Å; V59-I96 HydrophobicContact CG2-CG1 3.76Å; C61-I96 HydrophobicContact CB-CD1 4.4Å; L72-I96 HydrophobicContact CD1-CG2 4.1Å; L72-I96 HydrophobicContact CD2-CG2 3.62Å; M92-I96 WeakPolarHBondContact O-CG1 3.32Å; M92-I96 PolarHBondContact O-N 3.37Å; M92-I96 VanDerWaalsContact O-N 3.14Å; L93-I96 PolarHBondContact O-N 3.28Å; L93-I96 VanDerWaalsContact O-N 3.13Å; E94-I96 VanDerWaalsContact C-N 3.35Å; I96-E98 VanDerWaalsContact C-N 3.28Å; I96-E98 PolarHBondContact O-N 3.33Å; I96-C99 WeakPolarHBondContact O-CB 3.46Å; I96-C99 PolarHBondContact O-N 2.91Å; I96-C100 PolarHBondContact O-N 2.98Å; I96-C100 PolarHBondContact O-SG 3.19Å; I96-I109 HydrophobicContact CG2-CD1 4.36Å
97F98.1Very high96.8Very high19 Ų1949.8 Ų49.88%0.08327%0.265CS..Hα-helixtrans-59.6-40.7172.5-65.3-21.2000112L93 E94 Y95 C100 R101 I109 F127 F129 K152L93-F97 HydrophobicContact CD1-CD1 4.47Å; L93-F97 HydrophobicContact CD1-CE1 3.85Å; L93-F97 HydrophobicContact CD1-CZ 3.99Å; L93-F97 HydrophobicContact CD2-CE2 4.43Å; L93-F97 HydrophobicContact CD2-CZ 4.06Å; L93-F97 HydrophobicContact CG-CE1 4.1Å; L93-F97 HydrophobicContact CG-CE2 4.05Å; L93-F97 HydrophobicContact CG-CZ 3.76Å; L93-F97 WeakPolarHBondContact O-CG 3.49Å; L93-F97 PolarHBondContact O-N 3.07Å; E94-F97 WeakPolarHBondContact O-CB 3.37Å; E94-F97 PolarHBondContact O-N 3.46Å; Y95-F97 VanDerWaalsContact C-N 3.32Å; Y95-F97 PolarHBondContact O-N 2.94Å; F97-C100 PolarHBondContact O-N 3.04Å; F97-R101 WeakPolarHBondContact O-CG 3.37Å; F97-R101 PolarHBondContact O-N 3.34Å; F97-I109 HydrophobicContact CD1-CD1 3.4Å; F97-I109 VanDerWaalsContact CD1-CD1 3.4Å; F97-I109 HydrophobicContact CE1-CD1 3.56Å; F97-F127 HydrophobicContact CE2-CB 4.16Å; F97-F127 AromaticContact CE2-CD1 3.89Å; F97-F127 HydrophobicContact CE2-CD1 3.89Å; F97-F127 HydrophobicContact CE2-CG 4.36Å; F97-F127 HydrophobicContact CZ-CB 4Å; F97-F129 HydrophobicContact CE1-CE2 4.06Å; F97-F129 HydrophobicContact CE1-CZ 4.25Å; F97-F129 AromaticContact CZ-CE2 3.9Å; F97-F129 HydrophobicContact CZ-CE2 3.9Å; F97-K152 HydrophobicContact CE1-CD 3.99Å; F97-K152 HydrophobicContact CZ-CD 3.84Å
98E97.1Very high96.8Very high101 Ų10147.8 Ų47.847%0.47224%0.244SC..Hα-helixtrans-65.1-40.2176.2-168.157.5-154.100112.6E94 Y95 I96 C100 R101 S102E94-E98 PolarHBondContact O-N 2.93Å; Y95-E98 WeakPolarHBondContact O-CB 3.39Å; Y95-E98 PolarHBondContact O-N 2.94Å; Y95-E98 VanDerWaalsContact O-N 3.15Å; I96-E98 VanDerWaalsContact C-N 3.28Å; I96-E98 PolarHBondContact O-N 3.33Å; E98-C100 VanDerWaalsContact C-N 3.29Å; E98-C100 PolarHBondContact O-N 3.44Å; E98-R101 PolarHBondContact O-N 3.23Å; E98-R101 IonicContact OE2-CZ 3.78Å; E98-R101 IonicContact OE2-NH1 2.72Å; E98-R101 PolarHBondContact OE2-NH1 3.1Å; E98-S102 PolarHBondContact O-N 3.28Å; E98-S102 PolarHBondContact O-OG 2.74Å
99C96.7Very high96.8Very high26 Ų2647.6 Ų47.618%0.17624%0.244CC..Hα-helixtrans-58-43171.7-65.20000111.7L45 Y95 I96 S102L45-C99 HydrophobicContact CD2-CB 4.2Å; Y95-C99 PolarHBondContact O-N 3.48Å; Y95-C99 PolarHBondContact O-SG 2.89Å; Y95-C99 VanDerWaalsContact O-SG 3.4Å; I96-C99 WeakPolarHBondContact O-CB 3.46Å; I96-C99 PolarHBondContact O-N 2.91Å; C99-S102 PolarHBondContact O-N 2.76Å
100C96.8Very high96.9Very high5 Ų548.6 Ų48.63%0.03424%0.241CC..Hα-helixtrans-71-34.2178.6-60.70000113.3I96 F97 E98 S102 D103 I106 L154I96-C100 PolarHBondContact O-N 2.98Å; I96-C100 PolarHBondContact O-SG 3.19Å; F97-C100 PolarHBondContact O-N 3.04Å; E98-C100 VanDerWaalsContact C-N 3.29Å; E98-C100 PolarHBondContact O-N 3.44Å; C100-S102 PolarHBondContact O-N 2.99Å; C100-D103 CarbonylContact O-C 3.59Å; C100-D103 PolarHBondContact O-N 3.48Å; C100-I106 HydrophobicContact CB-CD1 4.5Å; C100-I106 HydrophobicContact CB-CG2 4.33Å; C100-L154 HydrophobicContact CB-CD1 3.33Å
101R94.9Very high96.9Very high162 Ų16246.7 Ų46.761%0.61123%0.23SC*.Hα-helixtrans-60.7-27.1174.7-74178.8-164.8120.34.3112.6F97 E98 D103F97-R101 WeakPolarHBondContact O-CG 3.37Å; F97-R101 PolarHBondContact O-N 3.34Å; E98-R101 PolarHBondContact O-N 3.23Å; E98-R101 IonicContact OE2-CZ 3.78Å; E98-R101 IonicContact OE2-NH1 2.72Å; E98-R101 PolarHBondContact OE2-NH1 3.1Å; R101-D103 VanDerWaalsContact C-N 3.33Å
102S93.1Very high96.9Very high97 Ų9745.7 Ų45.768%0.67822%0.224SC*.THydrogen-bonded Turntrans-83.5-6.7177.4-55.80000113.5E98 C99 C100E98-S102 PolarHBondContact O-N 3.28Å; E98-S102 PolarHBondContact O-OG 2.74Å; C99-S102 PolarHBondContact O-N 2.76Å; C100-S102 PolarHBondContact O-N 2.99Å
103D93.8Very high96.8Very high51 Ų5146 Ų4627%0.27323%0.226SC..  trans-132.790177-175.1-2.2000110.2K70 C100 R101 S105 I106K70-D103 IonicContact NZ-OD1 3.72Å; K70-D103 IonicContact NZ-OD2 3Å; K70-D103 PolarHBondContact NZ-OD2 3.25Å; C100-D103 CarbonylContact O-C 3.59Å; C100-D103 PolarHBondContact O-N 3.48Å; R101-D103 VanDerWaalsContact C-N 3.33Å; D103-S105 VanDerWaalsContact CG-OG 3.27Å; D103-S105 PolarHBondContact O-N 3.4Å; D103-S105 WeakPolarHBondContact OD1-CB 3.32Å; D103-S105 PolarHBondContact OD1-N 2.98Å; D103-S105 VanDerWaalsContact OD1-N 3.14Å; D103-S105 PolarHBondContact OD1-OG 3.47Å; D103-S105 PolarHBondContact OD2-OG 2.94Å; D103-I106 HydrophobicContact CB-CD1 4.01Å; D103-I106 HydrophobicContact CB-CG1 4.18Å; D103-I106 PolarHBondContact O-N 3.25Å
104E92Very high96.8Very high175 Ų17547 Ų4782%0.81823%0.23SC*.THydrogen-bonded Turntrans-58.9-17.2-179.4-64.8-177.2175.300113.9I106E104-I106 PolarHBondContact O-N 3.3Å
105S94.2Very high96.8Very high40 Ų4044.3 Ų44.328%0.2822%0.221SC..THydrogen-bonded Turntrans-73.3-13.9175.872.20000113.1K70 D103 L107K70-S105 WeakPolarHBondContact CA-O 3.4Å; K70-S105 WeakPolarHBondContact CB-O 3.23Å; K70-S105 VanDerWaalsContact CD-OG 3.25Å; K70-S105 WeakPolarHBondContact CD-OG 3.19Å; K70-S105 WeakPolarHBondContact CE-OG 3.48Å; K70-S105 PolarHBondContact N-O 3.42Å; K70-S105 PolarHBondContact NZ-OG 3.1Å; D103-S105 VanDerWaalsContact CG-OG 3.27Å; D103-S105 PolarHBondContact O-N 3.4Å; D103-S105 WeakPolarHBondContact OD1-CB 3.32Å; D103-S105 PolarHBondContact OD1-N 2.98Å; D103-S105 VanDerWaalsContact OD1-N 3.14Å; D103-S105 PolarHBondContact OD1-OG 3.47Å; D103-S105 PolarHBondContact OD2-OG 2.94Å; S105-L107 PolarHBondContact O-N 2.99Å
106I96.6Very high96.7Very high7 Ų745.3 Ų45.34%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-83.2104.6174.2-57.2176.8000109.1K70 L72 C100 D103 E104 L154K70-I106 HydrophobicContact CB-CG1 4.22Å; K70-I106 CarbonylContact O-C 3.56Å; K70-I106 WeakPolarHBondContact O-CA 3.42Å; L72-I106 HydrophobicContact CB-CG2 3.91Å; L72-I106 HydrophobicContact CD1-CD1 4.42Å; C100-I106 HydrophobicContact CB-CD1 4.5Å; C100-I106 HydrophobicContact CB-CG2 4.33Å; D103-I106 HydrophobicContact CB-CD1 4.01Å; D103-I106 HydrophobicContact CB-CG1 4.18Å; D103-I106 PolarHBondContact O-N 3.25Å; E104-I106 PolarHBondContact O-N 3.3Å; I106-L154 HydrophobicContact CG2-CD1 4.06Å
107L96.6Very high96.6Very high37 Ų3748.8 Ų48.819%0.19425%0.249CC..EExtended strand (participates in β ladder)trans-84.9-30.2-175.8-58.4-177.1000112.9I68 K70 S105 W153 L154I68-L107 HydrophobicContact CD1-CD1 4.12Å; I68-L107 HydrophobicContact CG1-CD1 3.99Å; I68-L107 WeakPolarHBondContact O-CD1 3.48Å; K70-L107 PolarHBondContact O-N 3.13Å; S105-L107 PolarHBondContact O-N 2.99Å; L107-W153 HydrophobicContact CB-CE3 4.29Å; L107-W153 HydrophobicContact CB-CZ3 3.99Å; L107-L154 PolarHBondContact O-N 3.41Å
108S97.3Very high96.6Very high0 Ų054.5 Ų54.50%027%0.274CS..EExtended strand (participates in β ladder)trans-150.2161.7-179.575.50000112.9K71 L72 E151 K152K71-S108 WeakPolarHBondContact CA-O 3.46Å; K71-S108 VanDerWaalsContact CD-OG 3.26Å; K71-S108 WeakPolarHBondContact CD-OG 3.47Å; K71-S108 WeakPolarHBondContact CE-OG 3.37Å; K71-S108 VanDerWaalsContact CG-OG 3.28Å; K71-S108 WeakPolarHBondContact CG-OG 3.44Å; L72-S108 PolarHBondContact N-O 3.06Å; S108-E151 VanDerWaalsContact CB-OE1 3.28Å; S108-E151 WeakPolarHBondContact CB-OE1 3.24Å; S108-E151 PolarHBondContact OG-OE1 3.15Å; S108-K152 CarbonylContact C-O 3.54Å; S108-K152 VanDerWaalsContact CA-O 3.22Å; S108-K152 WeakPolarHBondContact CA-O 3.27Å; S108-K152 WeakPolarHBondContact CB-O 3.44Å
109I98.5Very high96.6Very high0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-118132.7171.9-57.3168.6000107.5L72 I74 I96 F97 F129 E151 K152 L154L72-I109 HydrophobicContact CB-CG1 4.23Å; L72-I109 HydrophobicContact CD2-CG1 4.3Å; L72-I109 HydrophobicContact CD2-CG2 3.69Å; L72-I109 CarbonylContact O-C 3.51Å; L72-I109 VanDerWaalsContact O-CA 3.28Å; L72-I109 WeakPolarHBondContact O-CA 3.22Å; I74-I109 HydrophobicContact CD1-CG2 3.73Å; I74-I109 HydrophobicContact CG1-CG2 3.79Å; I96-I109 HydrophobicContact CG2-CD1 4.36Å; F97-I109 HydrophobicContact CD1-CD1 3.4Å; F97-I109 VanDerWaalsContact CD1-CD1 3.4Å; F97-I109 HydrophobicContact CE1-CD1 3.56Å; I109-F129 HydrophobicContact CB-CE1 4.08Å; I109-F129 HydrophobicContact CB-CZ 4.05Å; I109-F129 HydrophobicContact CG2-CE1 3.85Å; I109-F129 HydrophobicContact CG2-CZ 3.73Å; I109-F129 VanDerWaalsContact O-CE1 3.29Å; I109-F129 WeakPolarHBondContact O-CE1 3.34Å; I109-E151 CarbonylContact O-C 3.54Å; I109-E151 WeakPolarHBondContact O-CA 3.23Å; I109-K152 PolarHBondContact N-O 2.83Å; I109-K152 PolarHBondContact O-N 2.84Å; I109-L154 HydrophobicContact CD1-CD1 4.11Å; I109-L154 HydrophobicContact CD1-CD2 3.91Å; I109-L154 HydrophobicContact CD1-CG 4.41Å; I109-L154 HydrophobicContact CG1-CD1 4.04Å; I109-L154 HydrophobicContact CG1-CD2 4.32Å; I109-L154 HydrophobicContact CG1-CG 4.35Å
110Y98.5Very high96.6Very high40 Ų4052 Ų5216%0.15728%0.278CS..EExtended strand (participates in β ladder)trans-140.1160.117981.3-73.8000112.9I64 K71 L72 Y73 I74 V149 L150I64-Y110 HydrophobicContact CG1-CE1 4.34Å; K71-Y110 HydrophobicContact CB-CD1 3.91Å; K71-Y110 HydrophobicContact CB-CE1 3.85Å; K71-Y110 HydrophobicContact CD-CD1 4.17Å; K71-Y110 HydrophobicContact CD-CE1 4.36Å; L72-Y110 PolarHBondContact O-N 2.83Å; Y73-Y110 WeakPolarHBondContact CA-O 3.33Å; Y73-Y110 HydrophobicContact CD2-CD1 4.28Å; Y73-Y110 AromaticContact CD2-CD2 3.81Å; Y73-Y110 HydrophobicContact CD2-CD2 3.81Å; Y73-Y110 AromaticContact CD2-CE1 3.91Å; Y73-Y110 HydrophobicContact CD2-CE1 3.91Å; Y73-Y110 AromaticContact CD2-CE2 3.4Å; Y73-Y110 HydrophobicContact CD2-CE2 3.4Å; Y73-Y110 VanDerWaalsContact CD2-CE2 3.4Å; Y73-Y110 HydrophobicContact CD2-CG 4.24Å; Y73-Y110 AromaticContact CD2-CZ 3.46Å; Y73-Y110 VanDerWaalsContact CD2-CZ 3.46Å; Y73-Y110 WeakPolarHBondContact CD2-O 3.45Å; Y73-Y110 HydrophobicContact CE2-CD2 4.28Å; Y73-Y110 AromaticContact CE2-CE2 3.91Å; Y73-Y110 HydrophobicContact CE2-CE2 3.91Å; Y73-Y110 HydrophobicContact CG-CE1 4.18Å; Y73-Y110 HydrophobicContact CG-CE2 4.28Å; Y73-Y110 AromaticContact CG-CZ 3.88Å; I74-Y110 PolarHBondContact N-O 3.21Å; Y110-V149 HydrophobicContact CD2-CG1 4.29Å; Y110-L150 CarbonylContact C-O 3.34Å; Y110-L150 WeakPolarHBondContact CA-O 3.46Å; Y110-L150 WeakPolarHBondContact CB-O 3.24Å
111L98.8Very high96.7Very high5 Ų552.7 Ų52.73%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-157.5174.8179.869.4129.5000112.3I74 V113 Y124 F129 V149 L150I74-L111 HydrophobicContact CB-CB 4.03Å; I74-L111 HydrophobicContact CD1-CD2 4.27Å; L111-V113 HydrophobicContact CD1-CG2 3.46Å; L111-V113 VanDerWaalsContact CD1-CG2 3.46Å; L111-V113 HydrophobicContact CG-CG2 4.47Å; L111-Y124 HydrophobicContact CD1-CD1 4.44Å; L111-Y124 HydrophobicContact CD1-CD2 3.67Å; L111-Y124 HydrophobicContact CD1-CE1 4.06Å; L111-Y124 HydrophobicContact CD1-CE2 3.23Å; L111-Y124 HydrophobicContact CD1-CG 4.27Å; L111-Y124 VanDerWaalsContact CD1-CZ 3.44Å; L111-Y124 HydrophobicContact CD2-CD1 3.66Å; L111-Y124 HydrophobicContact CD2-CD2 4.25Å; L111-Y124 HydrophobicContact CD2-CE1 3.59Å; L111-Y124 HydrophobicContact CD2-CE2 4.22Å; L111-Y124 HydrophobicContact CD2-CG 4Å; L111-Y124 HydrophobicContact CG-CE1 4.49Å; L111-Y124 HydrophobicContact CG-CE2 4.35Å; L111-F129 HydrophobicContact CD2-CD1 3.78Å; L111-F129 HydrophobicContact CD2-CE1 3.55Å; L111-F129 HydrophobicContact CD2-CZ 4.19Å; L111-V149 WeakPolarHBondContact O-CA 3.39Å; L111-L150 HydrophobicContact CD2-CB 4.3Å; L111-L150 HydrophobicContact CG-CB 4.24Å; L111-L150 PolarHBondContact N-O 2.89Å; L111-L150 PolarHBondContact O-N 2.92Å
112H98.5Very high96.8Very high39 Ų3949.4 Ų49.418%0.18127%0.272CS..EExtended strand (participates in β ladder)trans-114.1134.7173.9-67.961.3000110.2Y73 Y138 A147 L148Y73-H112 AromaticContact CE2-ND1 3.46Å; Y73-H112 WeakPolarHBondContact CE2-ND1 2.96Å; Y73-H112 AromaticContact CZ-ND1 3.94Å; H112-Y138 HydrophobicContact CB-CE1 4.05Å; H112-Y138 HydrophobicContact CB-CE2 4.49Å; H112-Y138 AromaticContact CD2-CD2 3.42Å; H112-Y138 VanDerWaalsContact CD2-CD2 3.42Å; H112-Y138 WeakPolarHBondContact CD2-CD2 3.47Å; H112-Y138 AromaticContact CD2-CE2 3.19Å; H112-Y138 WeakPolarHBondContact CD2-CE2 3.28Å; H112-Y138 AromaticContact CD2-CG 3.99Å; H112-Y138 AromaticContact CD2-CZ 3.6Å; H112-Y138 AromaticContact CG-CE2 3.77Å; H112-Y138 AromaticContact CG-CZ 3.7Å; H112-Y138 AromaticContact NE2-CD2 3.77Å; H112-Y138 AromaticContact NE2-CE2 3.4Å; H112-Y138 WeakPolarHBondContact NE2-CE2 3.39Å; H112-A147 HydrophobicContact CB-CB 4.11Å; H112-L148 WeakPolarHBondContact CA-O 3.28Å
113V98Very high97.1Very high5 Ų546.9 Ų46.93%0.0325%0.249CC..EExtended strand (participates in β ladder)trans-124.4130.4174.71780000108.3L111 V115 N117 A120 L121 Y124 A147 L148 L150L111-V113 HydrophobicContact CD1-CG2 3.46Å; L111-V113 VanDerWaalsContact CD1-CG2 3.46Å; L111-V113 HydrophobicContact CG-CG2 4.47Å; V113-V115 PolarHBondContact O-N 2.8Å; V113-N117 HydrophobicContact CG1-CB 3.81Å; V113-A120 HydrophobicContact CG1-CB 3.8Å; V113-A120 HydrophobicContact CG2-CB 4.3Å; V113-L121 HydrophobicContact CG1-CB 4.5Å; V113-Y124 HydrophobicContact CG2-CD2 4.02Å; V113-Y124 HydrophobicContact CG2-CE2 4.2Å; V113-A147 CarbonylContact O-C 3.53Å; V113-A147 VanDerWaalsContact O-CA 3.27Å; V113-A147 WeakPolarHBondContact O-CA 3.22Å; V113-L148 PolarHBondContact N-O 3.44Å; V113-L148 PolarHBondContact O-N 2.91Å; V113-L150 HydrophobicContact CB-CD1 4.05Å; V113-L150 HydrophobicContact CG2-CD1 3.99Å; V113-L150 HydrophobicContact CG2-CD2 4.03Å
114Q97.9Very high97.3Very high22 Ų2245 Ų4510%0.10324%0.238CC..EExtended strand (participates in β ladder)trans-57.7139174.5-163.9179.613.700110.6N116 N117 Y139 P144Q114-N116 VanDerWaalsContact CG-OD1 3.23Å; Q114-N116 WeakPolarHBondContact CG-OD1 3.29Å; Q114-N116 PolarHBondContact O-N 2.89Å; Q114-N116 PolarHBondContact OE1-OD1 2.78Å; Q114-N117 HydrophobicContact CB-CB 4.15Å; Q114-N117 WeakPolarHBondContact O-CB 3.33Å; Q114-N117 PolarHBondContact O-N 2.89Å; Q114-Y139 HydrophobicContact CB-CD2 4.3Å; Q114-Y139 HydrophobicContact CB-CE2 3.66Å; Q114-Y139 HydrophobicContact CG-CD2 4Å; Q114-Y139 HydrophobicContact CG-CE2 3.88Å; Q114-P144 HydrophobicContact CG-CG 4.29Å; Q114-P144 WeakPolarHBondContact CG-O 3.13Å; Q114-P144 PolarHBondContact NE2-O 2.99Å
115V97.7Very high97.6Very high46 Ų4641.4 Ų41.428%0.27922%0.22SC..THydrogen-bonded Turntrans-57.8-27.2-171.3-67.60000114.4V113 P144 D146 L148V113-V115 PolarHBondContact O-N 2.8Å; V115-P144 HydrophobicContact CG2-CB 3.56Å; V115-P144 HydrophobicContact CG2-CG 3.33Å; V115-D146 HydrophobicContact CG1-CB 3.71Å; V115-D146 HydrophobicContact CG2-CB 4.26Å; V115-D146 PolarHBondContact N-O 2.86Å; V115-L148 HydrophobicContact CG1-CD2 3.97Å; V115-L148 HydrophobicContact CG1-CG 4.03Å
116N96.7Very high97.8Very high75 Ų7547.6 Ų47.640%0.40124%0.242SC..THydrogen-bonded Turntrans-93.31.717668.6-19.3000114.1Q114 F118 P144Q114-N116 VanDerWaalsContact CG-OD1 3.23Å; Q114-N116 WeakPolarHBondContact CG-OD1 3.29Å; Q114-N116 PolarHBondContact O-N 2.89Å; Q114-N116 PolarHBondContact OE1-OD1 2.78Å; N116-F118 VanDerWaalsContact C-N 3.26Å; N116-F118 WeakPolarHBondContact O-CD2 3.4Å; N116-F118 WeakPolarHBondContact O-CE2 3.45Å; N116-F118 PolarHBondContact O-N 3.32Å; N116-P144 HydrophobicContact CB-CG 3.91Å; N116-P144 VanDerWaalsContact CG-CD 3.44Å; N116-P144 WeakPolarHBondContact ND2-CD 3.27Å
117N97Very high97.9Very high73 Ų7349.2 Ų49.239%0.3925%0.249SC..  trans-87.267.4178.8-171-8.7000110.8V113 Q114 G119 A120 L121V113-N117 HydrophobicContact CG1-CB 3.81Å; Q114-N117 HydrophobicContact CB-CB 4.15Å; Q114-N117 WeakPolarHBondContact O-CB 3.33Å; Q114-N117 PolarHBondContact O-N 2.89Å; N117-G119 PolarHBondContact O-N 3.27Å; N117-A120 HydrophobicContact CB-CB 4.46Å; N117-A120 VanDerWaalsContact CG-CB 3.5Å; N117-A120 PolarHBondContact O-N 3.3Å; N117-A120 VanDerWaalsContact OD1-CB 3.32Å; N117-A120 WeakPolarHBondContact OD1-CB 3.49Å; N117-A120 PolarHBondContact OD1-N 2.95Å; N117-A120 VanDerWaalsContact OD1-N 3.1Å; N117-L121 PolarHBondContact O-N 2.9Å
118F97.3Very high98Very high139 Ų13949.2 Ų49.261%0.6126%0.257SS*.Hα-helixtrans-58.9-35.2-179-55.1-68.8000112.6N116 A120 L121 E122N116-F118 VanDerWaalsContact C-N 3.26Å; N116-F118 WeakPolarHBondContact O-CD2 3.4Å; N116-F118 WeakPolarHBondContact O-CE2 3.45Å; N116-F118 PolarHBondContact O-N 3.32Å; F118-A120 PolarHBondContact O-N 3.46Å; F118-L121 PolarHBondContact O-N 2.95Å; F118-E122 WeakPolarHBondContact O-CB 3.21Å; F118-E122 WeakPolarHBondContact O-CG 3.39Å; F118-E122 PolarHBondContact O-N 2.85Å
119G96.8Very high98.1Very high55 Ų5549.4 Ų49.457%0.56726%0.258SS*.Hα-helixtrans-62.1-43.4178.300000112.8N117 F123N117-G119 PolarHBondContact O-N 3.27Å; G119-F123 WeakPolarHBondContact O-CB 3.48Å; G119-F123 PolarHBondContact O-N 2.92Å; G119-F123 VanDerWaalsContact O-N 3.07Å
120A97.7Very high98.1Very high20 Ų2056.1 Ų56.117%0.16529%0.289CS..Hα-helixtrans-70.6-42.8174.800000111.7V113 N117 F118 E122 F123 Y124V113-A120 HydrophobicContact CG1-CB 3.8Å; V113-A120 HydrophobicContact CG2-CB 4.3Å; N117-A120 HydrophobicContact CB-CB 4.46Å; N117-A120 VanDerWaalsContact CG-CB 3.5Å; N117-A120 PolarHBondContact O-N 3.3Å; N117-A120 VanDerWaalsContact OD1-CB 3.32Å; N117-A120 WeakPolarHBondContact OD1-CB 3.49Å; N117-A120 PolarHBondContact OD1-N 2.95Å; N117-A120 VanDerWaalsContact OD1-N 3.1Å; F118-A120 PolarHBondContact O-N 3.46Å; A120-E122 PolarHBondContact O-N 3.23Å; A120-F123 WeakPolarHBondContact O-CB 3.49Å; A120-F123 PolarHBondContact O-N 3.23Å; A120-Y124 HydrophobicContact CB-CD2 4.47Å; A120-Y124 HydrophobicContact CB-CE2 4.36Å; A120-Y124 WeakPolarHBondContact O-CD2 3.37Å; A120-Y124 PolarHBondContact O-N 3.35Å
121L98.5Very high98.1Very high18 Ų1857.3 Ų57.39%0.09430%0.301CS..Hα-helixtrans-55.5-51177.117859.7000111.6V113 N117 F118 F123 Y124 K125 V131 L148 L150V113-L121 HydrophobicContact CG1-CB 4.5Å; N117-L121 PolarHBondContact O-N 2.9Å; F118-L121 PolarHBondContact O-N 2.95Å; L121-F123 VanDerWaalsContact C-N 3.32Å; L121-F123 PolarHBondContact O-N 3.31Å; L121-Y124 PolarHBondContact O-N 3.22Å; L121-K125 HydrophobicContact CD1-CD 4.28Å; L121-K125 HydrophobicContact CD1-CG 4.31Å; L121-K125 HydrophobicContact CG-CD 4.28Å; L121-K125 WeakPolarHBondContact O-CB 3.38Å; L121-K125 WeakPolarHBondContact O-CG 2.94Å; L121-K125 PolarHBondContact O-N 3.4Å; L121-V131 HydrophobicContact CD1-CG2 3.88Å; L121-L148 HydrophobicContact CD1-CD1 4.05Å; L121-L148 HydrophobicContact CD2-CD1 3.92Å; L121-L150 HydrophobicContact CD1-CD1 4.24Å; L121-L150 HydrophobicContact CD1-CD2 3.86Å; L121-L150 HydrophobicContact CD1-CG 4.32Å
122E98.3Very high98Very high93 Ų9360.5 Ų60.544%0.43532%0.321SS..Hα-helixtrans-66-34.6178.3-69.8-56.6116.600112.4F118 A120 K125 K126F118-E122 WeakPolarHBondContact O-CB 3.21Å; F118-E122 WeakPolarHBondContact O-CG 3.39Å; F118-E122 PolarHBondContact O-N 2.85Å; A120-E122 PolarHBondContact O-N 3.23Å; E122-K125 IonicContact OE1-NZ 3.71Å; E122-K126 VanDerWaalsContact O-CG 3.27Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 2.72Å
123F98.5Very high98Very high44 Ų4461 Ų6119%0.19333%0.331CS..Hα-helixtrans-59.6-54172.5170.4-99.2000111L77 G89 L93 G119 A120 L121 K126 F127L77-F123 HydrophobicContact CD2-CE1 4.25Å; G89-F123 VanDerWaalsContact C-CZ 3.48Å; G89-F123 WeakPolarHBondContact O-CZ 3.47Å; L93-F123 HydrophobicContact CB-CZ 4.21Å; L93-F123 HydrophobicContact CD2-CE1 3.84Å; L93-F123 HydrophobicContact CD2-CZ 3.89Å; G119-F123 WeakPolarHBondContact O-CB 3.48Å; G119-F123 PolarHBondContact O-N 2.92Å; G119-F123 VanDerWaalsContact O-N 3.07Å; A120-F123 WeakPolarHBondContact O-CB 3.49Å; A120-F123 PolarHBondContact O-N 3.23Å; L121-F123 VanDerWaalsContact C-N 3.32Å; L121-F123 PolarHBondContact O-N 3.31Å; F123-K126 WeakPolarHBondContact O-CB 3.25Å; F123-K126 PolarHBondContact O-N 3.35Å; F123-F127 AromaticContact CD2-CE2 3.97Å; F123-F127 HydrophobicContact CD2-CE2 3.97Å; F123-F127 HydrophobicContact CE1-CE2 4.47Å; F123-F127 HydrophobicContact CE2-CD2 4.29Å; F123-F127 AromaticContact CE2-CE2 3.49Å; F123-F127 HydrophobicContact CE2-CE2 3.49Å; F123-F127 VanDerWaalsContact CE2-CE2 3.49Å; F123-F127 HydrophobicContact CE2-CZ 4.25Å; F123-F127 HydrophobicContact CZ-CD2 4.26Å; F123-F127 AromaticContact CZ-CE2 3.76Å; F123-F127 HydrophobicContact CZ-CE2 3.76Å; F123-F127 VanDerWaalsContact O-CD2 3.23Å; F123-F127 WeakPolarHBondContact O-CD2 3.4Å
124Y98.8Very high98Very high12 Ų1265.8 Ų65.85%0.04736%0.355CS..Hα-helixtrans-68.9-37.5-177-72.8-68.6000113I74 L93 L111 V113 A120 L121 K126 F127 G128 F129 L150I74-Y124 HydrophobicContact CD1-CE1 4.27Å; L93-Y124 HydrophobicContact CD1-CE1 4.43Å; L93-Y124 HydrophobicContact CD2-CD1 4.24Å; L93-Y124 HydrophobicContact CD2-CE1 4.35Å; L111-Y124 HydrophobicContact CD1-CD1 4.44Å; L111-Y124 HydrophobicContact CD1-CD2 3.67Å; L111-Y124 HydrophobicContact CD1-CE1 4.06Å; L111-Y124 HydrophobicContact CD1-CE2 3.23Å; L111-Y124 HydrophobicContact CD1-CG 4.27Å; L111-Y124 VanDerWaalsContact CD1-CZ 3.44Å; L111-Y124 HydrophobicContact CD2-CD1 3.66Å; L111-Y124 HydrophobicContact CD2-CD2 4.25Å; L111-Y124 HydrophobicContact CD2-CE1 3.59Å; L111-Y124 HydrophobicContact CD2-CE2 4.22Å; L111-Y124 HydrophobicContact CD2-CG 4Å; L111-Y124 HydrophobicContact CG-CE1 4.49Å; L111-Y124 HydrophobicContact CG-CE2 4.35Å; V113-Y124 HydrophobicContact CG2-CD2 4.02Å; V113-Y124 HydrophobicContact CG2-CE2 4.2Å; A120-Y124 HydrophobicContact CB-CD2 4.47Å; A120-Y124 HydrophobicContact CB-CE2 4.36Å; A120-Y124 WeakPolarHBondContact O-CD2 3.37Å; A120-Y124 PolarHBondContact O-N 3.35Å; L121-Y124 PolarHBondContact O-N 3.22Å; Y124-K126 PolarHBondContact O-N 3Å; Y124-F127 PolarHBondContact O-N 3.14Å; Y124-G128 PolarHBondContact O-N 3.35Å; Y124-F129 AromaticContact CD1-CD2 3.99Å; Y124-F129 HydrophobicContact CD1-CD2 3.99Å; Y124-F129 AromaticContact CD1-CE2 3.97Å; Y124-F129 HydrophobicContact CD1-CE2 3.97Å; Y124-F129 HydrophobicContact CD1-CG 4.35Å; Y124-F129 HydrophobicContact CD1-CZ 4.32Å; Y124-F129 WeakPolarHBondContact O-CD2 3.32Å; Y124-F129 PolarHBondContact O-N 3.29Å; Y124-L150 HydrophobicContact CD2-CD2 4.25Å; Y124-L150 HydrophobicContact CG-CD2 4.21Å
125K98.5Very high98Very high99 Ų9965.8 Ų65.843%0.4336%0.359SS..Hα-helixtrans-56.1-37.9174.2-80.7-178.3174.3178.40112.8L121 E122 F127 G128L121-K125 HydrophobicContact CD1-CD 4.28Å; L121-K125 HydrophobicContact CD1-CG 4.31Å; L121-K125 HydrophobicContact CG-CD 4.28Å; L121-K125 WeakPolarHBondContact O-CB 3.38Å; L121-K125 WeakPolarHBondContact O-CG 2.94Å; L121-K125 PolarHBondContact O-N 3.4Å; E122-K125 IonicContact OE1-NZ 3.71Å; K125-F127 PolarHBondContact O-N 2.51Å; K125-G128 PolarHBondContact O-N 3.02Å
126K98.3Very high98Very high170 Ų17070.6 Ų70.674%0.73938%0.379SS*.Hα-helixtrans-61.3-23.4175.9-72.3169-175.9-177.50113.7E122 F123 Y124E122-K126 VanDerWaalsContact O-CG 3.27Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 2.72Å; F123-K126 WeakPolarHBondContact O-CB 3.25Å; F123-K126 PolarHBondContact O-N 3.35Å; Y124-K126 PolarHBondContact O-N 3Å
127F98.4Very high98Very high42 Ų4271.3 Ų71.318%0.18438%0.383CS..THydrogen-bonded Turntrans-96.810.7175.2-65.8-84.7000112.9T90 L93 E94 F97 F123 Y124 K125 F129 K152T90-F127 HydrophobicContact CG2-CE1 3.98Å; T90-F127 HydrophobicContact CG2-CZ 3.6Å; L93-F127 HydrophobicContact CD2-CB 3.81Å; L93-F127 HydrophobicContact CD2-CD1 4Å; L93-F127 HydrophobicContact CD2-CD2 3.42Å; L93-F127 VanDerWaalsContact CD2-CD2 3.42Å; L93-F127 HydrophobicContact CD2-CE1 4.46Å; L93-F127 HydrophobicContact CD2-CE2 3.98Å; L93-F127 HydrophobicContact CD2-CG 3.45Å; L93-F127 VanDerWaalsContact CD2-CG 3.45Å; L93-F127 HydrophobicContact CD2-CZ 4.46Å; E94-F127 HydrophobicContact CG-CE1 4.45Å; F97-F127 HydrophobicContact CE2-CB 4.16Å; F97-F127 AromaticContact CE2-CD1 3.89Å; F97-F127 HydrophobicContact CE2-CD1 3.89Å; F97-F127 HydrophobicContact CE2-CG 4.36Å; F97-F127 HydrophobicContact CZ-CB 4Å; F123-F127 AromaticContact CD2-CE2 3.97Å; F123-F127 HydrophobicContact CD2-CE2 3.97Å; F123-F127 HydrophobicContact CE1-CE2 4.47Å; F123-F127 HydrophobicContact CE2-CD2 4.29Å; F123-F127 AromaticContact CE2-CE2 3.49Å; F123-F127 HydrophobicContact CE2-CE2 3.49Å; F123-F127 VanDerWaalsContact CE2-CE2 3.49Å; F123-F127 HydrophobicContact CE2-CZ 4.25Å; F123-F127 HydrophobicContact CZ-CD2 4.26Å; F123-F127 AromaticContact CZ-CE2 3.76Å; F123-F127 HydrophobicContact CZ-CE2 3.76Å; F123-F127 VanDerWaalsContact O-CD2 3.23Å; F123-F127 WeakPolarHBondContact O-CD2 3.4Å; Y124-F127 PolarHBondContact O-N 3.14Å; K125-F127 PolarHBondContact O-N 2.51Å; F127-F129 HydrophobicContact CB-CD2 4.19Å; F127-F129 HydrophobicContact CB-CE2 4.34Å; F127-K152 VanDerWaalsContact O-CD 3.32Å; F127-K152 WeakPolarHBondContact O-CD 3.49Å; F127-K152 VanDerWaalsContact O-CE 3.26Å; F127-K152 WeakPolarHBondContact O-CE 3.44Å; F127-K152 PolarHBondContact O-NZ 3.28Å
128G98.2Very high98Very high36 Ų3672 Ų7237%0.37138%0.38SS..THydrogen-bonded Turntrans73.933.4178.300000113.5Y124 K125 K152Y124-G128 PolarHBondContact O-N 3.35Å; K125-G128 PolarHBondContact O-N 3.02Å; G128-K152 WeakPolarHBondContact O-CG 3.46Å
129F98.7Very high97.9Very high4 Ų467.1 Ų67.12%0.01836%0.358CS..  trans-83.2141.5160.6-74.1-103.1000109.7I74 L93 F97 I109 L111 Y124 F127 L150 E151 K152I74-F129 HydrophobicContact CD1-CZ 4.45Å; L93-F129 HydrophobicContact CD1-CE2 4.21Å; L93-F129 HydrophobicContact CD1-CZ 4.31Å; L93-F129 HydrophobicContact CD2-CE2 4.22Å; F97-F129 HydrophobicContact CE1-CE2 4.06Å; F97-F129 HydrophobicContact CE1-CZ 4.25Å; F97-F129 AromaticContact CZ-CE2 3.9Å; F97-F129 HydrophobicContact CZ-CE2 3.9Å; I109-F129 HydrophobicContact CB-CE1 4.08Å; I109-F129 HydrophobicContact CB-CZ 4.05Å; I109-F129 HydrophobicContact CG2-CE1 3.85Å; I109-F129 HydrophobicContact CG2-CZ 3.73Å; I109-F129 VanDerWaalsContact O-CE1 3.29Å; I109-F129 WeakPolarHBondContact O-CE1 3.34Å; L111-F129 HydrophobicContact CD2-CD1 3.78Å; L111-F129 HydrophobicContact CD2-CE1 3.55Å; L111-F129 HydrophobicContact CD2-CZ 4.19Å; Y124-F129 AromaticContact CD1-CD2 3.99Å; Y124-F129 HydrophobicContact CD1-CD2 3.99Å; Y124-F129 AromaticContact CD1-CE2 3.97Å; Y124-F129 HydrophobicContact CD1-CE2 3.97Å; Y124-F129 HydrophobicContact CD1-CG 4.35Å; Y124-F129 HydrophobicContact CD1-CZ 4.32Å; Y124-F129 WeakPolarHBondContact O-CD2 3.32Å; Y124-F129 PolarHBondContact O-N 3.29Å; F127-F129 HydrophobicContact CB-CD2 4.19Å; F127-F129 HydrophobicContact CB-CE2 4.34Å; F129-L150 HydrophobicContact CB-CB 4.28Å; F129-L150 HydrophobicContact CB-CD2 4.42Å; F129-L150 HydrophobicContact CD1-CB 4.31Å; F129-E151 WeakPolarHBondContact CA-O 3.26Å; F129-K152 HydrophobicContact CD1-CB 3.72Å; F129-K152 HydrophobicContact CD2-CB 3.98Å; F129-K152 HydrophobicContact CD2-CD 4.3Å; F129-K152 HydrophobicContact CE1-CB 3.78Å; F129-K152 HydrophobicContact CE2-CB 4.05Å; F129-K152 HydrophobicContact CE2-CD 4.11Å; F129-K152 HydrophobicContact CG-CB 3.82Å; F129-K152 HydrophobicContact CZ-CB 3.95Å
130E98.4Very high97.7Very high141 Ų14172.6 Ų72.666%0.65937%0.366SS*.EExtended strand (participates in β ladder)trans-117.5151.4178.8-62.7-177.9173.600110.3V132 L150 E151E130-V132 PolarHBondContact O-N 2.98Å; E130-L150 CarbonylContact O-C 3.56Å; E130-L150 WeakPolarHBondContact O-CA 2.95Å; E130-E151 PolarHBondContact N-O 2.78Å; E130-E151 PolarHBondContact O-N 3.36Å
131V98.6Very high97.4Very high66 Ų6683.1 Ų83.140%0.440%0.402SS..EExtended strand (participates in β ladder)trans-78.5113.9173.5178.80000107.9L121 L148 V149 L150L121-V131 HydrophobicContact CD1-CG2 3.88Å; V131-L148 HydrophobicContact CG1-CB 4.33Å; V131-L148 HydrophobicContact CG1-CD2 4.13Å; V131-L148 HydrophobicContact CG2-CD1 4.25Å; V131-V149 WeakPolarHBondContact CA-O 3.48Å; V131-L150 HydrophobicContact CG2-CD1 4.27Å; V131-L150 HydrophobicContact CG2-CG 4.37Å
132V98.2Very high97.2Very high72 Ų7284 Ų8444%0.43641%0.406SS..EExtended strand (participates in β ladder)trans-104.7-22.7-176.6-64.70000113.1E130 V149 E151E130-V132 PolarHBondContact O-N 2.98Å; V132-V149 HydrophobicContact CG2-CB 4.11Å; V132-V149 HydrophobicContact CG2-CG1 3.81Å; V132-V149 WeakPolarHBondContact CG2-O 3.43Å; V132-V149 PolarHBondContact N-O 3.47Å; V132-E151 HydrophobicContact CG1-CB 3.89Å; V132-E151 HydrophobicContact CG2-CB 3.83Å
133A98.2Very high97.1Very high48 Ų4886.7 Ų86.740%0.39742%0.419SS..EExtended strand (participates in β ladder)trans-158.2169.3177.600000112.2V149A133-V149 HydrophobicContact CB-CB 4Å; A133-V149 HydrophobicContact CB-CG2 4Å; A133-V149 PolarHBondContact O-N 2.8Å
134I98.3Very high97Very high106 Ų10686.5 Ų86.554%0.54442%0.422SS..EExtended strand (participates in β ladder)trans-115.2120166.8-56.7178.7000107.7Q136 D146 A147 L148I134-Q136 PolarHBondContact O-N 3.02Å; I134-D146 HydrophobicContact CG2-CB 4.4Å; I134-A147 CarbonylContact C-O 3.56Å; I134-A147 WeakPolarHBondContact CA-O 3.34Å; I134-L148 HydrophobicContact CG1-CD2 4Å
135A97.9Very high96.9Very high22 Ų2286.5 Ų86.518%0.18242%0.423CS..EExtended strand (participates in β ladder)trans-88.5101.5171.600000109.3Y138 A147 V149A135-Y138 HydrophobicContact CB-CD2 4.02Å; A135-Y138 HydrophobicContact CB-CG 4.36Å; A135-A147 HydrophobicContact CB-CB 4.42Å; A135-A147 PolarHBondContact N-O 2.93Å; A135-A147 PolarHBondContact O-N 2.8Å; A135-V149 HydrophobicContact CB-CG2 4.1Å
136Q97.7Very high96.8Very high148 Ų14884.1 Ų84.169%0.69242%0.416SS*.THydrogen-bonded Turntrans-68.7140.6-179.8-70.1-175.5-19.200112.2I134 Y138 D146I134-Q136 PolarHBondContact O-N 3.02Å; Q136-Y138 PolarHBondContact O-N 3.23Å; Q136-Y138 VanDerWaalsContact O-N 3.1Å; Q136-D146 VanDerWaalsContact CA-OD1 3.24Å; Q136-D146 WeakPolarHBondContact CA-OD1 3.35Å
137N96.5Very high96.8Very high90 Ų9076 Ų7648%0.48138%0.38SS..THydrogen-bonded Turntrans50.434.7178.6-58.9-75.2000112.8K140 S145 D146N137-K140 WeakPolarHBondContact O-CE 3.41Å; N137-K140 PolarHBondContact O-NZ 2.86Å; N137-S145 CarbonylContact C-O 3.59Å; N137-S145 PolarHBondContact OD1-OG 2.83Å; N137-D146 PolarHBondContact N-OD1 2.91Å
138Y96.3Very high96.9Very high86 Ų8675.1 Ų75.134%0.33738%0.377SS..  trans-64.5-49.4-176.6-179.9-93.6000111.1Y73 H112 A135 Q136 S145 A147Y73-Y138 PolarHBondContact OH-OH 2.8Å; H112-Y138 HydrophobicContact CB-CE1 4.05Å; H112-Y138 HydrophobicContact CB-CE2 4.49Å; H112-Y138 AromaticContact CD2-CD2 3.42Å; H112-Y138 VanDerWaalsContact CD2-CD2 3.42Å; H112-Y138 WeakPolarHBondContact CD2-CD2 3.47Å; H112-Y138 AromaticContact CD2-CE2 3.19Å; H112-Y138 WeakPolarHBondContact CD2-CE2 3.28Å; H112-Y138 AromaticContact CD2-CG 3.99Å; H112-Y138 AromaticContact CD2-CZ 3.6Å; H112-Y138 AromaticContact CG-CE2 3.77Å; H112-Y138 AromaticContact CG-CZ 3.7Å; H112-Y138 AromaticContact NE2-CD2 3.77Å; H112-Y138 AromaticContact NE2-CE2 3.4Å; H112-Y138 WeakPolarHBondContact NE2-CE2 3.39Å; A135-Y138 HydrophobicContact CB-CD2 4.02Å; A135-Y138 HydrophobicContact CB-CG 4.36Å; Q136-Y138 PolarHBondContact O-N 3.23Å; Q136-Y138 VanDerWaalsContact O-N 3.1Å; Y138-S145 PolarHBondContact N-O 2.84Å; Y138-A147 HydrophobicContact CD1-CB 3.86Å; Y138-A147 HydrophobicContact CG-CB 3.86Å
139Y94.8Very high96.9Very high37 Ų3774.4 Ų74.415%0.14537%0.366CS..  trans-88.9112.1177.5-59.2-71.3000111.2V29 Q114 R141 I142 S145 A147V29-Y139 HydrophobicContact CG1-CD1 3.68Å; V29-Y139 HydrophobicContact CG1-CE1 4.03Å; Q114-Y139 HydrophobicContact CB-CD2 4.3Å; Q114-Y139 HydrophobicContact CB-CE2 3.66Å; Q114-Y139 HydrophobicContact CG-CD2 4Å; Q114-Y139 HydrophobicContact CG-CE2 3.88Å; Y139-R141 PolarHBondContact O-N 3.17Å; Y139-I142 HydrophobicContact CD1-CD1 4.15Å; Y139-I142 HydrophobicContact CD2-CD1 4.49Å; Y139-I142 HydrophobicContact CG-CD1 3.97Å; Y139-I142 HydrophobicContact CG-CG1 4.05Å; Y139-S145 PolarHBondContact N-O 3.37Å; Y139-S145 WeakPolarHBondContact O-CB 3.26Å; Y139-A147 HydrophobicContact CD2-CB 4.39Å; Y139-A147 HydrophobicContact CE2-CB 3.75Å
140K92.7Very high96.9Very high171 Ų17174.2 Ų74.274%0.74337%0.365SS*.SBendtrans-78.8-10.7-172.2-57.6-57-175.2-169.20116.2N137N137-K140 WeakPolarHBondContact O-CE 3.41Å; N137-K140 PolarHBondContact O-NZ 2.86Å
141R92.6Very high96.9Very high240 Ų24068.5 Ų68.591%0.90634%0.338SS*.SBendtrans-132.85.7-168.6-60.9-171.4-175.3-171.92.2114.4Y139Y139-R141 PolarHBondContact O-N 3.17Å
142I94.2Very high96.9Very high37 Ų3767.9 Ų67.919%0.1933%0.33CS..SBendtrans-140.7148.5-179.657.9173.1000108.9P28 V29 Y139 S145P28-I142 HydrophobicContact CB-CD1 3.92Å; P28-I142 HydrophobicContact CG-CD1 3.63Å; V29-I142 HydrophobicContact CG1-CD1 3.98Å; Y139-I142 HydrophobicContact CD1-CD1 4.15Å; Y139-I142 HydrophobicContact CD2-CD1 4.49Å; Y139-I142 HydrophobicContact CG-CD1 3.97Å; Y139-I142 HydrophobicContact CG-CG1 4.05Å; I142-S145 WeakPolarHBondContact O-CA 3.28Å
143E95.2Very high96.8Very high150 Ų15069.4 Ų69.470%0.70133%0.328SS*.SBendtrans-111.8144.1175.1-69.5-59.5154.100110.8S145E143-S145 PolarHBondContact OE2-N 2.96Å
144P96.2Very high96.6Very high40 Ų4070 Ų7026%0.2632%0.324SS..SBendcis-67138.8-6.329.1-33.5000111.5Q114 V115 N116 D146Q114-P144 HydrophobicContact CG-CG 4.29Å; Q114-P144 WeakPolarHBondContact CG-O 3.13Å; Q114-P144 PolarHBondContact NE2-O 2.99Å; V115-P144 HydrophobicContact CG2-CB 3.56Å; V115-P144 HydrophobicContact CG2-CG 3.33Å; N116-P144 HydrophobicContact CB-CG 3.91Å; N116-P144 VanDerWaalsContact CG-CD 3.44Å; N116-P144 WeakPolarHBondContact ND2-CD 3.27Å; P144-D146 VanDerWaalsContact C-N 3.31Å; P144-D146 PolarHBondContact O-N 2.57Å
145S96.4Very high95.9Very high11 Ų1169.1 Ų69.18%0.07732%0.324CS..  trans-75.4-18.4-175.659.40000114N137 Y138 Y139 I142 E143N137-S145 CarbonylContact C-O 3.59Å; N137-S145 PolarHBondContact OD1-OG 2.83Å; Y138-S145 PolarHBondContact N-O 2.84Å; Y139-S145 PolarHBondContact N-O 3.37Å; Y139-S145 WeakPolarHBondContact O-CB 3.26Å; I142-S145 WeakPolarHBondContact O-CA 3.28Å; E143-S145 PolarHBondContact OE2-N 2.96Å
146D98.1Very high94.3Very high50 Ų5076.6 Ų76.627%0.26736%0.355SS..  trans-74149.4-179.5-67.6-11.4000112.9V115 I134 Q136 N137 P144V115-D146 HydrophobicContact CG1-CB 3.71Å; V115-D146 HydrophobicContact CG2-CB 4.26Å; V115-D146 PolarHBondContact N-O 2.86Å; I134-D146 HydrophobicContact CG2-CB 4.4Å; Q136-D146 VanDerWaalsContact CA-OD1 3.24Å; Q136-D146 WeakPolarHBondContact CA-OD1 3.35Å; N137-D146 PolarHBondContact N-OD1 2.91Å; P144-D146 VanDerWaalsContact C-N 3.31Å; P144-D146 PolarHBondContact O-N 2.57Å
147A98.3Very high92.4Very high0 Ų073.7 Ų73.70%035%0.349CS..EExtended strand (participates in β ladder)trans-124.6142.7171.900000111.3H112 V113 I134 A135 Y138 Y139H112-A147 HydrophobicContact CB-CB 4.11Å; V113-A147 CarbonylContact O-C 3.53Å; V113-A147 VanDerWaalsContact O-CA 3.27Å; V113-A147 WeakPolarHBondContact O-CA 3.22Å; I134-A147 CarbonylContact C-O 3.56Å; I134-A147 WeakPolarHBondContact CA-O 3.34Å; A135-A147 HydrophobicContact CB-CB 4.42Å; A135-A147 PolarHBondContact N-O 2.93Å; A135-A147 PolarHBondContact O-N 2.8Å; Y138-A147 HydrophobicContact CD1-CB 3.86Å; Y138-A147 HydrophobicContact CG-CB 3.86Å; Y139-A147 HydrophobicContact CD2-CB 4.39Å; Y139-A147 HydrophobicContact CE2-CB 3.75Å
148L98.6Very high90.5Very high22 Ų2273.7 Ų73.712%0.11536%0.356CS..EExtended strand (participates in β ladder)trans-79.1132.7163.1-57178.2000108.6H112 V113 V115 L121 V131 I134 L150H112-L148 WeakPolarHBondContact CA-O 3.28Å; V113-L148 PolarHBondContact N-O 3.44Å; V113-L148 PolarHBondContact O-N 2.91Å; V115-L148 HydrophobicContact CG1-CD2 3.97Å; V115-L148 HydrophobicContact CG1-CG 4.03Å; L121-L148 HydrophobicContact CD1-CD1 4.05Å; L121-L148 HydrophobicContact CD2-CD1 3.92Å; V131-L148 HydrophobicContact CG1-CB 4.33Å; V131-L148 HydrophobicContact CG1-CD2 4.13Å; V131-L148 HydrophobicContact CG2-CD1 4.25Å; I134-L148 HydrophobicContact CG1-CD2 4Å; L148-L150 HydrophobicContact CB-CD1 3.52Å
149V98.7Very high88.2Confident21 Ų2174.7 Ų74.713%0.12738%0.376CS..EExtended strand (participates in β ladder)trans-89119.2167.6-173.10000107.4Y110 L111 V131 V132 A133 A135Y110-V149 HydrophobicContact CD2-CG1 4.29Å; L111-V149 WeakPolarHBondContact O-CA 3.39Å; V131-V149 WeakPolarHBondContact CA-O 3.48Å; V132-V149 HydrophobicContact CG2-CB 4.11Å; V132-V149 HydrophobicContact CG2-CG1 3.81Å; V132-V149 WeakPolarHBondContact CG2-O 3.43Å; V132-V149 PolarHBondContact N-O 3.47Å; A133-V149 HydrophobicContact CB-CB 4Å; A133-V149 HydrophobicContact CB-CG2 4Å; A133-V149 PolarHBondContact O-N 2.8Å; A135-V149 HydrophobicContact CB-CG2 4.1Å
150L98.8Very high85.7Confident0 Ų081.1 Ų81.10%041%0.406CS..EExtended strand (participates in β ladder)trans-108.7135.7177.9-78.968.1000109.1Y110 L111 V113 L121 Y124 F129 E130 V131 L148Y110-L150 CarbonylContact C-O 3.34Å; Y110-L150 WeakPolarHBondContact CA-O 3.46Å; Y110-L150 WeakPolarHBondContact CB-O 3.24Å; L111-L150 HydrophobicContact CD2-CB 4.3Å; L111-L150 HydrophobicContact CG-CB 4.24Å; L111-L150 PolarHBondContact N-O 2.89Å; L111-L150 PolarHBondContact O-N 2.92Å; V113-L150 HydrophobicContact CB-CD1 4.05Å; V113-L150 HydrophobicContact CG2-CD1 3.99Å; V113-L150 HydrophobicContact CG2-CD2 4.03Å; L121-L150 HydrophobicContact CD1-CD1 4.24Å; L121-L150 HydrophobicContact CD1-CD2 3.86Å; L121-L150 HydrophobicContact CD1-CG 4.32Å; Y124-L150 HydrophobicContact CD2-CD2 4.25Å; Y124-L150 HydrophobicContact CG-CD2 4.21Å; F129-L150 HydrophobicContact CB-CB 4.28Å; F129-L150 HydrophobicContact CB-CD2 4.42Å; F129-L150 HydrophobicContact CD1-CB 4.31Å; E130-L150 CarbonylContact O-C 3.56Å; E130-L150 WeakPolarHBondContact O-CA 2.95Å; V131-L150 HydrophobicContact CG2-CD1 4.27Å; V131-L150 HydrophobicContact CG2-CG 4.37Å; L148-L150 HydrophobicContact CB-CD1 3.52Å
151E98.5Very high83.1Confident22 Ų2281.1 Ų81.110%0.10341%0.409CS..EExtended strand (participates in β ladder)trans-138.4144-179.7-174.5164.7-155.500111.6K71 S108 I109 F129 E130 V132K71-E151 WeakPolarHBondContact CD-OE1 3.23Å; K71-E151 WeakPolarHBondContact CE-OE1 3.11Å; K71-E151 IonicContact NZ-OE1 3.47Å; K71-E151 PolarHBondContact NZ-OE1 3.38Å; S108-E151 VanDerWaalsContact CB-OE1 3.28Å; S108-E151 WeakPolarHBondContact CB-OE1 3.24Å; S108-E151 PolarHBondContact OG-OE1 3.15Å; I109-E151 CarbonylContact O-C 3.54Å; I109-E151 WeakPolarHBondContact O-CA 3.23Å; F129-E151 WeakPolarHBondContact CA-O 3.26Å; E130-E151 PolarHBondContact N-O 2.78Å; E130-E151 PolarHBondContact O-N 3.36Å; V132-E151 HydrophobicContact CG1-CB 3.89Å; V132-E151 HydrophobicContact CG2-CB 3.83Å
152K98.3Very high80.5Confident52 Ų5276.3 Ų76.323%0.22641%0.407CS..EExtended strand (participates in β ladder)trans-127.1118.5172.2177.1179.7-173.6670108.9F97 S108 I109 F127 G128 F129F97-K152 HydrophobicContact CE1-CD 3.99Å; F97-K152 HydrophobicContact CZ-CD 3.84Å; S108-K152 CarbonylContact C-O 3.54Å; S108-K152 VanDerWaalsContact CA-O 3.22Å; S108-K152 WeakPolarHBondContact CA-O 3.27Å; S108-K152 WeakPolarHBondContact CB-O 3.44Å; I109-K152 PolarHBondContact N-O 2.83Å; I109-K152 PolarHBondContact O-N 2.84Å; F127-K152 VanDerWaalsContact O-CD 3.32Å; F127-K152 WeakPolarHBondContact O-CD 3.49Å; F127-K152 VanDerWaalsContact O-CE 3.26Å; F127-K152 WeakPolarHBondContact O-CE 3.44Å; F127-K152 PolarHBondContact O-NZ 3.28Å; G128-K152 WeakPolarHBondContact O-CG 3.46Å; F129-K152 HydrophobicContact CD1-CB 3.72Å; F129-K152 HydrophobicContact CD2-CB 3.98Å; F129-K152 HydrophobicContact CD2-CD 4.3Å; F129-K152 HydrophobicContact CE1-CB 3.78Å; F129-K152 HydrophobicContact CE2-CB 4.05Å; F129-K152 HydrophobicContact CE2-CD 4.11Å; F129-K152 HydrophobicContact CG-CB 3.82Å; F129-K152 HydrophobicContact CZ-CB 3.95Å
153W96.6Very high77.9Confident104 Ų10479 Ų7939%0.39443%0.429SS..EExtended strand (participates in β ladder)trans-76.1135.7169.9-70.184.8000110.6L107 P157L107-W153 HydrophobicContact CB-CE3 4.29Å; L107-W153 HydrophobicContact CB-CZ3 3.99Å; W153-P157 HydrophobicContact CD2-CG 4.33Å; W153-P157 HydrophobicContact CE3-CG 4.03Å; W153-P157 HydrophobicContact CZ3-CG 4.17Å
154L94.6Very high75.2Confident62 Ų6278.2 Ų78.233%0.32543%0.429SS..SBendtrans-94.5-29.4179.4-60.3-178000111.9C100 I106 L107 I109C100-L154 HydrophobicContact CB-CD1 3.33Å; I106-L154 HydrophobicContact CG2-CD1 4.06Å; L107-L154 PolarHBondContact O-N 3.41Å; I109-L154 HydrophobicContact CD1-CD1 4.11Å; I109-L154 HydrophobicContact CD1-CD2 3.91Å; I109-L154 HydrophobicContact CD1-CG 4.41Å; I109-L154 HydrophobicContact CG1-CD1 4.04Å; I109-L154 HydrophobicContact CG1-CD2 4.32Å; I109-L154 HydrophobicContact CG1-CG 4.35Å
155V82.7Confident72.6Confident87 Ų8784.8 Ų84.853%0.52746%0.457SS..SBendtrans-118.7131.5169.6-173.30000106.4P157V155-P157 WeakPolarHBondContact O-CD 3.43Å
156Q65.2Low70.1Confident178 Ų17890.8 Ų90.883%0.83249%0.488SS*.  trans-66.8126.6170.9-68.8-16920.400107.7S158Q156-S158 PolarHBondContact O-N 3.09Å; Q156-S158 VanDerWaalsContact O-N 3.09Å
157P57.4Low67.3Low87 Ų8792 Ų9257%0.56551%0.512SS*.  trans-53.9123.1167.2-18.829.9000107W153 V155 S159W153-P157 HydrophobicContact CD2-CG 4.33Å; W153-P157 HydrophobicContact CE3-CG 4.03Å; W153-P157 HydrophobicContact CZ3-CG 4.17Å; V155-P157 WeakPolarHBondContact O-CD 3.43Å; P157-S159 PolarHBondContact O-N 2.93Å
158S55.7Low64.8Low91 Ų9197.8 Ų97.864%0.63655%0.548SS*.  trans-52.9114.2173.648.80000107.4Q156 H160Q156-S158 PolarHBondContact O-N 3.09Å; Q156-S158 VanDerWaalsContact O-N 3.09Å; S158-H160 VanDerWaalsContact C-N 3.28Å; S158-H160 PolarHBondContact O-N 2.83Å
159S48.6Very low62.1Low107 Ų107101.7 Ų101.775%0.74858%0.583SS**  trans-59.599.1167.651.60000106.1P157 E161P157-S159 PolarHBondContact O-N 2.93Å; S159-E161 PolarHBondContact O-N 3.07Å
160H42.4Very low60.1Low171 Ų171113 Ų11379%0.79263%0.634SS**  trans-61.3105.8170.3-92.8-78.8000106.8S158 T162S158-H160 VanDerWaalsContact C-N 3.28Å; S158-H160 PolarHBondContact O-N 2.83Å; H160-T162 PolarHBondContact O-N 2.9Å; H160-T162 VanDerWaalsContact O-N 3.07Å
161E38.6Very low58.2Low171 Ų171118.6 Ų118.680%0.79967%0.666SS**  trans-53.4110.1167.9-72.6168148.600107.9S159 S163S159-E161 PolarHBondContact O-N 3.07Å; E161-S163 PolarHBondContact O-N 2.96Å
162T37.2Very low56Low139 Ų139123.7 Ų123.785%0.85370%0.695SS**  trans-7571.8162.249.90000108.2H160 N164H160-T162 PolarHBondContact O-N 2.9Å; H160-T162 VanDerWaalsContact O-N 3.07Å; T162-N164 VanDerWaalsContact C-N 3.26Å; T162-N164 PolarHBondContact O-N 2.99Å
163S39.4Very low53.7Low94 Ų94127.7 Ų127.766%0.65772%0.721SS**  trans-80.582.6159.146.60000107.5E161 E165E161-S163 PolarHBondContact O-N 2.96Å; S163-E165 PolarHBondContact O-N 3.19Å
164N39.7Very low51.2Low133 Ų133129.1 Ų129.171%0.71174%0.741SS**  trans-75.678.4168.2-167.518.4000108.1T162 N166T162-N164 VanDerWaalsContact C-N 3.26Å; T162-N164 PolarHBondContact O-N 2.99Å; N164-N166 PolarHBondContact O-N 3.22Å; N164-N166 PolarHBondContact OD1-ND2 2.92Å
165E41.4Very low48.4Very low178 Ų178133.3 Ų133.383%0.83277%0.767SS**  trans-74.695.2162.2-75.5-174160.400108.1S163S163-E165 PolarHBondContact O-N 3.19Å
166N44.1Very low46.2Very low137 Ų137136.3 Ų136.373%0.73378%0.783SS**  trans-12467.5160.6-84.6-50.5000108.4N164N164-N166 PolarHBondContact O-N 3.22Å; N164-N166 PolarHBondContact OD1-ND2 2.92Å
167G38.8Very low44.8Very low76 Ų76133.4 Ų133.478%0.78478%0.779SS**  trans-101.889.6161.500000108.9
168V45.6Very low43.8Very low122 Ų122136.9 Ų136.974%0.73980%0.795SS**  trans-126.391.8159.6-176.30000106.9Q170V168-Q170 HydrophobicContact CG1-CG 4.25Å
169A41.9Very low42.8Very low103 Ų103140.8 Ų140.885%0.85181%0.809SS**  trans-81.2119.1157.900000107.1
170Q56.3Low42.3Very low258 Ų258143.8 Ų143.8100%1.20681%0.814SS**  trans-116.10154.9-75.9-170.1-9.300107.8V168V168-Q170 HydrophobicContact CG1-CG 4.25Å

Retrieved 170 of 170 residues in 419.5 ms (Link to these results)

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