A0A087YAW3_POEFO Loading...

Baculoviral IAP repeat containing 5a

AlphaFold DB , UniProt , Accession A0A087YAW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 142 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
1M47.8Very low69.9Low219 Ų21999.1 Ų99.1100%1.07952%0.516SS*.  0135.60-71178.2-170.200107.5
2G55.2Low71.9Confident46 Ų4690.9 Ų90.947%0.47447%0.474SS..  trans-70.2157.4-179.900000111.9L4G2-L4 PolarHBondContact O-N 2.66Å; G2-L4 VanDerWaalsContact O-N 3.08Å
3P56.4Low73.6Confident95 Ų9592.3 Ų92.362%0.61747%0.474SS*.THydrogen-bonded Turntrans-70.9-1.9-171.828.5-35.7000115.2
4L63.6Low75.2Confident112 Ų11288.4 Ų88.459%0.58645%0.452SS*.THydrogen-bonded Turntrans-14050.9-177.2-64.7172.7000109.6G2 F101G2-L4 PolarHBondContact O-N 2.66Å; G2-L4 VanDerWaalsContact O-N 3.08Å; L4-F101 HydrophobicContact CD1-CE1 4.42Å; L4-F101 HydrophobicContact CD2-CE1 4.24Å
5N67.3Low76.6Confident56 Ų5689.7 Ų89.730%0.29946%0.456SS..  trans-68.6142.5173.6-174.510.3000109.3K7 D8N5-K7 PolarHBondContact O-N 3.34Å; N5-D8 VanDerWaalsContact CB-OD2 3.3Å; N5-D8 WeakPolarHBondContact CB-OD2 3.17Å; N5-D8 PolarHBondContact N-OD2 3.16Å; N5-D8 VanDerWaalsContact O-CB 3.31Å; N5-D8 WeakPolarHBondContact O-CB 3.17Å; N5-D8 PolarHBondContact O-N 3.08Å
6E67Low77.8Confident162 Ų16286.4 Ų86.476%0.75744%0.44SS*.Hα-helixtrans-59.9-30.1178.8-144.3165.7-149.500111.6D8 I9 E10E6-D8 VanDerWaalsContact C-N 3.28Å; E6-D8 PolarHBondContact O-N 2.85Å; E6-I9 WeakPolarHBondContact O-CG1 3.46Å; E6-I9 PolarHBondContact O-N 3.4Å; E6-E10 PolarHBondContact O-N 3.33Å
7K69.3Low79Confident148 Ų14881.9 Ų81.964%0.64342%0.416SS*.Hα-helixtrans-66.8-25.9172.1-60.6-169.7176.7-171.70113.7N5 I9N5-K7 PolarHBondContact O-N 3.34Å; K7-I9 VanDerWaalsContact C-N 3.28Å; K7-I9 PolarHBondContact O-N 3.31Å
8D72.2Confident80Confident57 Ų5779.7 Ų79.731%0.30541%0.405SS..Hα-helixtrans-76-21.5-178.1-63.1-29.2000112.2N5 E6 Y12N5-D8 VanDerWaalsContact CB-OD2 3.3Å; N5-D8 WeakPolarHBondContact CB-OD2 3.17Å; N5-D8 PolarHBondContact N-OD2 3.16Å; N5-D8 VanDerWaalsContact O-CB 3.31Å; N5-D8 WeakPolarHBondContact O-CB 3.17Å; N5-D8 PolarHBondContact O-N 3.08Å; E6-D8 VanDerWaalsContact C-N 3.28Å; E6-D8 PolarHBondContact O-N 2.85Å; D8-Y12 WeakPolarHBondContact O-CE2 3.46Å
9I85.9Confident81Confident54 Ų5482.4 Ų82.428%0.27741%0.414SS..Hα-helixtrans-94.9-17.8179.563.8166.9000113.2E6 K7 F11 Y12 F100E6-I9 WeakPolarHBondContact O-CG1 3.46Å; E6-I9 PolarHBondContact O-N 3.4Å; K7-I9 VanDerWaalsContact C-N 3.28Å; K7-I9 PolarHBondContact O-N 3.31Å; I9-F11 VanDerWaalsContact C-N 3.32Å; I9-F11 PolarHBondContact O-N 2.92Å; I9-Y12 WeakPolarHBondContact O-CB 3.3Å; I9-Y12 PolarHBondContact O-N 3.37Å; I9-F100 HydrophobicContact CB-CZ 4.31Å; I9-F100 HydrophobicContact CG2-CE1 4.23Å; I9-F100 HydrophobicContact CG2-CZ 3.97Å
10E90.4Very high81.8Confident87 Ų8780.1 Ų80.141%0.40740%0.404SS..Hα-helixtrans-55.6-44.4-174.5-174.8177.8-175.700112.7E6 Y12 F13 N16E6-E10 PolarHBondContact O-N 3.33Å; E10-Y12 PolarHBondContact O-N 3.5Å; E10-F13 WeakPolarHBondContact O-CD2 3.33Å; E10-F13 PolarHBondContact O-N 3.14Å; E10-N16 HydrophobicContact CG-CB 4.09Å; E10-N16 VanDerWaalsContact CG-ND2 3.32Å; E10-N16 WeakPolarHBondContact CG-ND2 3.34Å; E10-N16 WeakPolarHBondContact O-CB 3.4Å; E10-N16 PolarHBondContact O-ND2 3.34Å
11F94.2Very high82.6Confident54 Ų5477 Ų7724%0.23739%0.388CS..THydrogen-bonded Turntrans-81.42.3-177.6-64.1-58.7000114.4I9 N16 R17 T20 I43 F57I9-F11 VanDerWaalsContact C-N 3.32Å; I9-F11 PolarHBondContact O-N 2.92Å; F11-N16 HydrophobicContact CD1-CB 4.38Å; F11-R17 HydrophobicContact CB-CG 4.07Å; F11-R17 HydrophobicContact CD1-CG 4.11Å; F11-R17 VanDerWaalsContact O-CD 3.25Å; F11-R17 WeakPolarHBondContact O-CD 3.47Å; F11-R17 VanDerWaalsContact O-CG 3.31Å; F11-R17 WeakPolarHBondContact O-CG 3.31Å; F11-R17 PolarHBondContact O-NH1 3.17Å; F11-T20 HydrophobicContact CE1-CG2 3.8Å; F11-T20 HydrophobicContact CZ-CG2 4.47Å; F11-I43 HydrophobicContact CD1-CG2 3.66Å; F11-I43 HydrophobicContact CE1-CG2 3.92Å; F11-I43 HydrophobicContact CE2-CD1 4.28Å; F11-I43 HydrophobicContact CG-CG2 4.09Å; F11-I43 HydrophobicContact CZ-CD1 4.37Å; F11-F57 HydrophobicContact CB-CB 3.6Å; F11-F57 HydrophobicContact CB-CD1 4.46Å; F11-F57 HydrophobicContact CB-CD2 3.53Å; F11-F57 HydrophobicContact CB-CE2 4.36Å; F11-F57 HydrophobicContact CB-CG 3.6Å; F11-F57 HydrophobicContact CD2-CB 4.43Å; F11-F57 HydrophobicContact CG-CB 4.2Å
12Y93.6Very high84.8Confident1 Ų174.2 Ų74.20%0.00437%0.372CS..THydrogen-bonded Turntrans-70.6-27.1166.6-78.3-93000111.4D8 I9 E10 R17 F57 F58 V92 F100 L103 Q104 K107D8-Y12 WeakPolarHBondContact O-CE2 3.46Å; I9-Y12 WeakPolarHBondContact O-CB 3.3Å; I9-Y12 PolarHBondContact O-N 3.37Å; E10-Y12 PolarHBondContact O-N 3.5Å; Y12-R17 PolarHBondContact O-NH1 2.94Å; Y12-F57 AromaticContact CD1-CE2 3.92Å; Y12-F57 HydrophobicContact CD1-CE2 3.92Å; Y12-F57 AromaticContact CD1-CZ 3.93Å; Y12-F57 HydrophobicContact CD1-CZ 3.93Å; Y12-F57 HydrophobicContact CD2-CD2 4.42Å; Y12-F57 AromaticContact CD2-CE2 3.57Å; Y12-F57 HydrophobicContact CD2-CE2 3.57Å; Y12-F57 HydrophobicContact CD2-CZ 4.37Å; Y12-F57 AromaticContact CE1-CE2 3.92Å; Y12-F57 HydrophobicContact CE1-CE2 3.92Å; Y12-F57 HydrophobicContact CE1-CZ 4.06Å; Y12-F57 HydrophobicContact CE2-CD2 4.42Å; Y12-F57 AromaticContact CE2-CE2 3.61Å; Y12-F57 HydrophobicContact CE2-CE2 3.61Å; Y12-F57 AromaticContact CG-CE2 3.76Å; Y12-F57 HydrophobicContact CG-CE2 3.76Å; Y12-F57 HydrophobicContact CG-CZ 4.11Å; Y12-F57 AromaticContact CZ-CE2 3.81Å; Y12-F58 HydrophobicContact CE1-CD2 4.29Å; Y12-F58 HydrophobicContact CE1-CE2 4.44Å; Y12-F58 WeakPolarHBondContact OH-CE2 3.48Å; Y12-V92 HydrophobicContact CD1-CG1 4.36Å; Y12-V92 HydrophobicContact CD1-CG2 4.4Å; Y12-F100 HydrophobicContact CD1-CD2 4.48Å; Y12-F100 AromaticContact CD1-CE2 3.76Å; Y12-F100 HydrophobicContact CD1-CE2 3.76Å; Y12-F100 HydrophobicContact CD2-CE2 4.33Å; Y12-F100 HydrophobicContact CD2-CZ 4.45Å; Y12-F100 HydrophobicContact CE1-CE2 4.23Å; Y12-F100 AromaticContact CG-CE2 3.79Å; Y12-F100 HydrophobicContact CG-CE2 3.79Å; Y12-F100 HydrophobicContact CG-CZ 4.32Å; Y12-L103 HydrophobicContact CD1-CD2 4.21Å; Y12-L103 HydrophobicContact CE1-CD2 3.63Å; Y12-L103 HydrophobicContact CE1-CG 3.98Å; Y12-Q104 VanDerWaalsContact CZ-CD 3.44Å; Y12-Q104 PolarHBondContact OH-NE2 2.97Å; Y12-Q104 PolarHBondContact OH-OE1 2.76Å; Y12-K107 HydrophobicContact CE2-CD 4.31Å; Y12-K107 WeakPolarHBondContact OH-CD 3.29Å
13F93.8Very high86.6Confident109 Ų10975.6 Ų75.648%0.47839%0.386SS..SBendtrans-77.1125.6173.5-58.4-77.7000110.7E10 E15 N16 R17E10-F13 WeakPolarHBondContact O-CD2 3.33Å; E10-F13 PolarHBondContact O-N 3.14Å; F13-E15 VanDerWaalsContact C-N 3.32Å; F13-E15 PolarHBondContact O-N 3.44Å; F13-N16 HydrophobicContact CB-CB 4.48Å; F13-N16 PolarHBondContact O-N 2.81Å; F13-R17 PolarHBondContact O-N 3.41Å
14F95.6Very high88.6Confident38 Ų3872.1 Ų72.117%0.16736%0.361CS..Hα-helixtrans-53.4-47.3179.9167.5-101000112.7N16 R17 L18 E35 A38 R39F14-N16 PolarHBondContact O-N 3.08Å; F14-R17 WeakPolarHBondContact O-CB 3.36Å; F14-R17 PolarHBondContact O-N 3.34Å; F14-L18 HydrophobicContact CE1-CB 4.45Å; F14-L18 HydrophobicContact CE1-CD2 3.94Å; F14-L18 HydrophobicContact CZ-CB 4.35Å; F14-L18 HydrophobicContact CZ-CD2 4.04Å; F14-L18 PolarHBondContact O-N 2.98Å; F14-E35 HydrophobicContact CZ-CB 4.35Å; F14-A38 HydrophobicContact CD2-CB 4.01Å; F14-A38 HydrophobicContact CE2-CB 3.6Å; F14-A38 HydrophobicContact CZ-CB 4.42Å; F14-R39 HydrophobicContact CD2-CG 4.14Å; F14-R39 HydrophobicContact CE2-CG 3.69Å
15E96.6Very high89.9Confident108 Ų10870.5 Ų70.551%0.50536%0.357SS..Hα-helixtrans-58.4-34.5-177.8-62-56.5148.500113.2F13 L18 K19F13-E15 VanDerWaalsContact C-N 3.32Å; F13-E15 PolarHBondContact O-N 3.44Å; E15-L18 PolarHBondContact O-N 3.44Å; E15-K19 VanDerWaalsContact O-CG 3.23Å; E15-K19 WeakPolarHBondContact O-CG 3.36Å; E15-K19 PolarHBondContact O-N 3.02Å
16N96.6Very high91.3Very high37 Ų3769.3 Ų69.320%0.19835%0.349CS..Hα-helixtrans-73.1-33.1179.3-67.4-16000111.5E10 F11 F13 F14 T20E10-N16 HydrophobicContact CG-CB 4.09Å; E10-N16 VanDerWaalsContact CG-ND2 3.32Å; E10-N16 WeakPolarHBondContact CG-ND2 3.34Å; E10-N16 WeakPolarHBondContact O-CB 3.4Å; E10-N16 PolarHBondContact O-ND2 3.34Å; F11-N16 HydrophobicContact CD1-CB 4.38Å; F13-N16 HydrophobicContact CB-CB 4.48Å; F13-N16 PolarHBondContact O-N 2.81Å; F14-N16 PolarHBondContact O-N 3.08Å; N16-T20 WeakPolarHBondContact O-CG2 3.31Å
17R97.4Very high92.4Very high10 Ų1066.5 Ų66.54%0.03834%0.339CS..Hα-helixtrans-68.9-46.1172.1-61.6-166.4-59.8-80.7-0.1111F11 Y12 F13 F14 K19 T20 F21 A38 I43F11-R17 HydrophobicContact CB-CG 4.07Å; F11-R17 HydrophobicContact CD1-CG 4.11Å; F11-R17 VanDerWaalsContact O-CD 3.25Å; F11-R17 WeakPolarHBondContact O-CD 3.47Å; F11-R17 VanDerWaalsContact O-CG 3.31Å; F11-R17 WeakPolarHBondContact O-CG 3.31Å; F11-R17 PolarHBondContact O-NH1 3.17Å; Y12-R17 PolarHBondContact O-NH1 2.94Å; F13-R17 PolarHBondContact O-N 3.41Å; F14-R17 WeakPolarHBondContact O-CB 3.36Å; F14-R17 PolarHBondContact O-N 3.34Å; R17-K19 VanDerWaalsContact C-N 3.29Å; R17-K19 PolarHBondContact O-N 3.4Å; R17-T20 WeakPolarHBondContact O-CB 3.31Å; R17-T20 PolarHBondContact O-N 3.19Å; R17-T20 PolarHBondContact O-OG1 3.11Å; R17-F21 WeakPolarHBondContact O-CD2 3.35Å; R17-A38 HydrophobicContact CB-CB 3.91Å; R17-A38 VanDerWaalsContact CZ-O 3.25Å; R17-A38 PolarHBondContact NE-O 3Å; R17-A38 PolarHBondContact NH2-O 3.15Å; R17-I43 HydrophobicContact CB-CG2 4.05Å; R17-I43 HydrophobicContact CG-CG2 3.83Å
18L98Very high93.3Very high41 Ų4168.3 Ų68.322%0.21535%0.35CS..Hα-helixtrans-56.5-43.7179.1-178.859000112F14 E15 T20 F21 P34 E35 A38F14-L18 HydrophobicContact CE1-CB 4.45Å; F14-L18 HydrophobicContact CE1-CD2 3.94Å; F14-L18 HydrophobicContact CZ-CB 4.35Å; F14-L18 HydrophobicContact CZ-CD2 4.04Å; F14-L18 PolarHBondContact O-N 2.98Å; E15-L18 PolarHBondContact O-N 3.44Å; L18-T20 PolarHBondContact O-N 3.19Å; L18-F21 PolarHBondContact O-N 3.43Å; L18-F21 VanDerWaalsContact O-N 3.13Å; L18-P34 HydrophobicContact CD1-CB 3.72Å; L18-E35 HydrophobicContact CD1-CG 4.07Å; L18-E35 HydrophobicContact CD2-CG 4.47Å; L18-A38 HydrophobicContact CB-CB 4.16Å
19K97.8Very high94.3Very high132 Ų13273.4 Ų73.457%0.57438%0.377SS*.THydrogen-bonded Turntrans-59-17.4177.9-76.1169.6-172.1170.30115.1E15 R17 Q22E15-K19 VanDerWaalsContact O-CG 3.23Å; E15-K19 WeakPolarHBondContact O-CG 3.36Å; E15-K19 PolarHBondContact O-N 3.02Å; R17-K19 VanDerWaalsContact C-N 3.29Å; R17-K19 PolarHBondContact O-N 3.4Å; K19-Q22 PolarHBondContact O-NE2 3.2Å
20T97.8Very high94.9Very high35 Ų3571.9 Ų71.922%0.21537%0.372CS..THydrogen-bonded Turntrans-74.6-26.7178.666.60000112.8F11 N16 R17 L18 Q22 I43 H44F11-T20 HydrophobicContact CE1-CG2 3.8Å; F11-T20 HydrophobicContact CZ-CG2 4.47Å; N16-T20 WeakPolarHBondContact O-CG2 3.31Å; R17-T20 WeakPolarHBondContact O-CB 3.31Å; R17-T20 PolarHBondContact O-N 3.19Å; R17-T20 PolarHBondContact O-OG1 3.11Å; L18-T20 PolarHBondContact O-N 3.19Å; T20-Q22 PolarHBondContact O-N 3.34Å; T20-I43 HydrophobicContact CG2-CB 4.04Å; T20-I43 HydrophobicContact CG2-CG2 4.03Å; T20-I43 WeakPolarHBondContact OG1-CA 3.36Å; T20-H44 WeakPolarHBondContact O-CB 3.49Å; T20-H44 PolarHBondContact O-ND1 3.22Å; T20-H44 PolarHBondContact OG1-N 2.86Å
21F97.7Very high95.2Very high15 Ų1569.4 Ų69.47%0.06637%0.366CS..  trans-77.344.4-173.3-72.3-89.5000113.8R17 L18 G23 W24 P34 M37 A38 F42 H44R17-F21 WeakPolarHBondContact O-CD2 3.35Å; L18-F21 PolarHBondContact O-N 3.43Å; L18-F21 VanDerWaalsContact O-N 3.13Å; F21-G23 PolarHBondContact O-N 2.89Å; F21-W24 HydrophobicContact CB-CB 4.1Å; F21-W24 HydrophobicContact CD1-CB 4.11Å; F21-W24 AromaticContact CD1-CD2 3.59Å; F21-W24 HydrophobicContact CD1-CD2 3.59Å; F21-W24 AromaticContact CD1-CE3 3.71Å; F21-W24 HydrophobicContact CD1-CE3 3.71Å; F21-W24 AromaticContact CD1-CG 3.77Å; F21-W24 HydrophobicContact CD1-CG 3.77Å; F21-W24 HydrophobicContact CD1-CZ3 4.37Å; F21-W24 HydrophobicContact CE1-CD2 4.01Å; F21-W24 AromaticContact CE1-CE3 3.95Å; F21-W24 HydrophobicContact CE1-CE3 3.95Å; F21-W24 HydrophobicContact CE1-CH2 4.41Å; F21-W24 HydrophobicContact CE1-CZ2 4.46Å; F21-W24 HydrophobicContact CE1-CZ3 4.15Å; F21-P34 HydrophobicContact CB-CB 3.69Å; F21-P34 HydrophobicContact CB-CG 4.14Å; F21-P34 HydrophobicContact CG-CB 4.02Å; F21-M37 HydrophobicContact CD1-CB 4.29Å; F21-M37 HydrophobicContact CE1-CB 3.47Å; F21-M37 VanDerWaalsContact CE1-CB 3.47Å; F21-M37 HydrophobicContact CE1-CE 3.99Å; F21-M37 HydrophobicContact CE1-CG 3.87Å; F21-M37 HydrophobicContact CE2-CB 4.02Å; F21-M37 HydrophobicContact CZ-CB 3.33Å; F21-M37 HydrophobicContact CZ-CE 4.28Å; F21-M37 HydrophobicContact CZ-CG 4.21Å; F21-A38 HydrophobicContact CE2-CB 4.27Å; F21-F42 WeakPolarHBondContact CE2-O 3.31Å; F21-F42 HydrophobicContact CZ-CB 4Å; F21-H44 HydrophobicContact CB-CB 4.39Å; F21-H44 HydrophobicContact CD1-CB 3.68Å; F21-H44 HydrophobicContact CD2-CB 4.32Å; F21-H44 HydrophobicContact CE1-CB 3.85Å; F21-H44 HydrophobicContact CE2-CB 4.47Å; F21-H44 HydrophobicContact CG-CB 3.89Å; F21-H44 HydrophobicContact CZ-CB 4.22Å
22Q94.7Very high95.4Very high161 Ų16166.9 Ų66.975%0.75236%0.355SS*.THydrogen-bonded Turntrans-78.1119.6175.1-66.9177.629.500109.7K19 T20 W24K19-Q22 PolarHBondContact O-NE2 3.2Å; T20-Q22 PolarHBondContact O-N 3.34Å; Q22-W24 VanDerWaalsContact C-N 3.35Å
23G93.7Very high95.6Very high75 Ų7567.4 Ų67.477%0.77336%0.358SS*.THydrogen-bonded Turntrans78.219.1-176.500000113.9F21F21-G23 PolarHBondContact O-N 2.89Å
24W96.7Very high95.8Very high22 Ų2263.4 Ų63.48%0.08334%0.343CS..  trans-62.1133.7170.1-169.5-112000110.4F21 Q22 F26 C32 P34 M37 H44 D52 A54 W66F21-W24 HydrophobicContact CB-CB 4.1Å; F21-W24 HydrophobicContact CD1-CB 4.11Å; F21-W24 AromaticContact CD1-CD2 3.59Å; F21-W24 HydrophobicContact CD1-CD2 3.59Å; F21-W24 AromaticContact CD1-CE3 3.71Å; F21-W24 HydrophobicContact CD1-CE3 3.71Å; F21-W24 AromaticContact CD1-CG 3.77Å; F21-W24 HydrophobicContact CD1-CG 3.77Å; F21-W24 HydrophobicContact CD1-CZ3 4.37Å; F21-W24 HydrophobicContact CE1-CD2 4.01Å; F21-W24 AromaticContact CE1-CE3 3.95Å; F21-W24 HydrophobicContact CE1-CE3 3.95Å; F21-W24 HydrophobicContact CE1-CH2 4.41Å; F21-W24 HydrophobicContact CE1-CZ2 4.46Å; F21-W24 HydrophobicContact CE1-CZ3 4.15Å; Q22-W24 VanDerWaalsContact C-N 3.35Å; W24-F26 VanDerWaalsContact C-N 3.34Å; W24-F26 VanDerWaalsContact CD1-O 3.3Å; W24-F26 AromaticContact CE2-CD2 3.86Å; W24-F26 HydrophobicContact CZ2-CD2 4Å; W24-F26 HydrophobicContact CZ2-CE2 4.46Å; W24-F26 AromaticContact NE1-CD2 3.65Å; W24-F26 PolarHBondContact O-N 2.91Å; W24-C32 PolarHBondContact NE1-O 3.34Å; W24-P34 HydrophobicContact CB-CG 4.22Å; W24-P34 HydrophobicContact CG-CG 4.3Å; W24-M37 HydrophobicContact CH2-CE 3.69Å; W24-M37 HydrophobicContact CZ2-CE 3.67Å; W24-M37 HydrophobicContact CZ2-CG 4.11Å; W24-M37 HydrophobicContact CZ2-SD 4.22Å; W24-H44 AromaticContact CE3-CD2 3.39Å; W24-H44 AromaticContact CE3-CG 3.85Å; W24-H44 AromaticContact CE3-NE2 3.51Å; W24-H44 AromaticContact CZ3-CD2 3.46Å; W24-H44 VanDerWaalsContact CZ3-CD2 3.46Å; W24-H44 WeakPolarHBondContact CZ3-CD2 3.31Å; W24-H44 AromaticContact CZ3-NE2 3.82Å; W24-D52 HydrophobicContact CH2-CB 4.17Å; W24-D52 WeakPolarHBondContact CH2-O 3.24Å; W24-D52 HydrophobicContact CZ3-CB 4.1Å; W24-D52 WeakPolarHBondContact CZ3-O 3.44Å; W24-A54 HydrophobicContact CH2-CB 4.16Å; W24-A54 HydrophobicContact CZ3-CB 4.35Å; W24-W66 HydrophobicContact CH2-CB 4.43Å; W24-W66 AromaticContact CH2-CD1 3.57Å; W24-W66 AromaticContact CH2-CG 3.92Å; W24-W66 HydrophobicContact CH2-CG 3.92Å; W24-W66 AromaticContact CH2-NE1 3.94Å; W24-W66 HydrophobicContact CZ2-CB 4.23Å; W24-W66 HydrophobicContact CZ2-CD2 4.4Å; W24-W66 AromaticContact CZ2-CG 3.97Å; W24-W66 HydrophobicContact CZ2-CG 3.97Å
25P92.8Very high95.9Very high78 Ų7865.1 Ų65.151%0.50635%0.352SS..SBendtrans-79.6-11.6-170.129.7-34.8000114.9D52P25-D52 HydrophobicContact CG-CB 4.26Å
26F94.9Very high96Very high31 Ų3162.9 Ų62.914%0.13634%0.343CS..  trans-110132.3-174.9-54.6-63.9000111.5W24 C30 C32 P34 W66 P68W24-F26 VanDerWaalsContact C-N 3.34Å; W24-F26 VanDerWaalsContact CD1-O 3.3Å; W24-F26 AromaticContact CE2-CD2 3.86Å; W24-F26 HydrophobicContact CZ2-CD2 4Å; W24-F26 HydrophobicContact CZ2-CE2 4.46Å; W24-F26 AromaticContact NE1-CD2 3.65Å; W24-F26 PolarHBondContact O-N 2.91Å; F26-C30 HydrophobicContact CB-CB 3.82Å; F26-C32 VanDerWaalsContact CB-SG 3.6Å; F26-C32 WeakPolarHBondContact CD2-SG 3.4Å; F26-C32 WeakPolarHBondContact CG-SG 3.42Å; F26-P34 WeakPolarHBondContact O-CD 3.29Å; F26-W66 HydrophobicContact CD2-CB 4.31Å; F26-W66 HydrophobicContact CE2-CB 3.64Å; F26-W66 WeakPolarHBondContact CE2-O 3.46Å; F26-W66 HydrophobicContact CZ-CB 4.45Å; F26-W66 WeakPolarHBondContact CZ-O 3.36Å; F26-P68 HydrophobicContact CD1-CB 4.42Å; F26-P68 HydrophobicContact CD1-CG 3.95Å; F26-P68 HydrophobicContact CE1-CG 3.75Å
27D91.4Very high96.1Very high103 Ų10361.1 Ų61.155%0.55133%0.334SS*.  trans-123.4-153.4-173.763.515.8000112.4D29 C30 T33D27-D29 PolarHBondContact O-N 3.11Å; D27-C30 WeakPolarHBondContact O-CB 3.5Å; D27-C30 PolarHBondContact O-N 3.31Å; D27-T33 WeakPolarHBondContact O-CG2 3.37Å
28E88.6Confident96.1Very high187 Ų18760.6 Ų60.687%0.87433%0.332SS*.THydrogen-bonded Turntrans-57.6-24.2-167-63.1-174.117500114.8C30E28-C30 VanDerWaalsContact C-N 3.34Å
29D92.9Very high96Very high163 Ų16365.8 Ų65.887%0.87235%0.348SS*.THydrogen-bonded Turntrans-880.1-179.9-71.5-36000113.6D27D27-D29 PolarHBondContact O-N 3.11Å
30C97Very high96Very high23 Ų2359.6 Ų59.616%0.15532%0.322CS..SBendtrans-105.1156.7-177.2-560000112.4F26 D27 E28 T33 P68F26-C30 HydrophobicContact CB-CB 3.82Å; D27-C30 WeakPolarHBondContact O-CB 3.5Å; D27-C30 PolarHBondContact O-N 3.31Å; E28-C30 VanDerWaalsContact C-N 3.34Å; C30-T33 WeakPolarHBondContact O-CG2 3.4Å; C30-P68 CarbonylContact C-O 3.52Å; C30-P68 WeakPolarHBondContact CA-O 3.36Å; C30-P68 HydrophobicContact CB-CB 4.23Å
31A97.6Very high96Very high35 Ų3558 Ų5829%0.28931%0.312SS..SBendtrans-74.5-36167.500000111.8T33 N36 P68 D70A31-T33 VanDerWaalsContact C-N 3.27Å; A31-T33 PolarHBondContact O-N 2.97Å; A31-T33 VanDerWaalsContact O-N 3.17Å; A31-N36 WeakPolarHBondContact O-CB 3.39Å; A31-N36 PolarHBondContact O-ND2 2.96Å; A31-P68 WeakPolarHBondContact CB-O 3.49Å; A31-P68 PolarHBondContact N-O 2.93Å; A31-D70 CarbonylContact C-O 3.58Å; A31-D70 VanDerWaalsContact CB-O 3.26Å; A31-D70 WeakPolarHBondContact CB-O 3.19Å
32C97.4Very high96Very high0 Ų057.2 Ų57.20%031%0.309CS..SBendtrans-87.541.8-178.962.30000113.8W24 F26 M37 W66 E67 D70 P72W24-C32 PolarHBondContact NE1-O 3.34Å; F26-C32 VanDerWaalsContact CB-SG 3.6Å; F26-C32 WeakPolarHBondContact CD2-SG 3.4Å; F26-C32 WeakPolarHBondContact CG-SG 3.42Å; C32-M37 HydrophobicContact CB-SD 4.41Å; C32-W66 HydrophobicContact CB-CE3 3.95Å; C32-W66 HydrophobicContact CB-CZ3 4.49Å; C32-E67 PolarHBondContact SG-O 3.46Å; C32-D70 HydrophobicContact CB-CB 4.46Å; C32-D70 WeakPolarHBondContact CB-O 3.34Å; C32-D70 PolarHBondContact N-O 2.93Å; C32-P72 HydrophobicContact CB-CG 4.2Å
33T98.3Very high96.2Very high13 Ų1350.2 Ų50.28%0.0828%0.276CS..  trans-61.6158.2175.8870000112D27 C30 A31 E35 N36 M37D27-T33 WeakPolarHBondContact O-CG2 3.37Å; C30-T33 WeakPolarHBondContact O-CG2 3.4Å; A31-T33 VanDerWaalsContact C-N 3.27Å; A31-T33 PolarHBondContact O-N 2.97Å; A31-T33 VanDerWaalsContact O-N 3.17Å; T33-E35 PolarHBondContact O-N 2.99Å; T33-E35 VanDerWaalsContact O-N 3.17Å; T33-E35 PolarHBondContact OG1-N 3.42Å; T33-E35 PolarHBondContact OG1-OE2 3.12Å; T33-N36 PolarHBondContact O-N 3.44Å; T33-N36 PolarHBondContact OG1-N 3.26Å; T33-M37 WeakPolarHBondContact O-CB 3.45Å; T33-M37 VanDerWaalsContact O-CG 3.28Å; T33-M37 WeakPolarHBondContact O-CG 3.35Å; T33-M37 PolarHBondContact O-N 3.42Å
34P98.3Very high96.4Very high24 Ų2447.2 Ų47.216%0.15624%0.242CC..Hα-helixtrans-49.7-40.9174.1-31.739.5000113.9L18 F21 W24 F26 A38L18-P34 HydrophobicContact CD1-CB 3.72Å; F21-P34 HydrophobicContact CB-CB 3.69Å; F21-P34 HydrophobicContact CB-CG 4.14Å; F21-P34 HydrophobicContact CG-CB 4.02Å; W24-P34 HydrophobicContact CB-CG 4.22Å; W24-P34 HydrophobicContact CG-CG 4.3Å; F26-P34 WeakPolarHBondContact O-CD 3.29Å; P34-A38 VanDerWaalsContact O-CB 3.23Å; P34-A38 WeakPolarHBondContact O-CB 3.35Å; P34-A38 PolarHBondContact O-N 3.24Å
35E97.9Very high96.3Very high75 Ų7548.4 Ų48.435%0.3525%0.252SS..Hα-helixtrans-67.5-42.7178.4-61.675.9-169.800112.1F14 L18 T33 A38 R39F14-E35 HydrophobicContact CZ-CB 4.35Å; L18-E35 HydrophobicContact CD1-CG 4.07Å; L18-E35 HydrophobicContact CD2-CG 4.47Å; T33-E35 PolarHBondContact O-N 2.99Å; T33-E35 VanDerWaalsContact O-N 3.17Å; T33-E35 PolarHBondContact OG1-N 3.42Å; T33-E35 PolarHBondContact OG1-OE2 3.12Å; E35-A38 PolarHBondContact O-N 3.38Å; E35-R39 WeakPolarHBondContact O-CB 3.36Å; E35-R39 VanDerWaalsContact O-CG 3.25Å; E35-R39 WeakPolarHBondContact O-CG 3.07Å; E35-R39 PolarHBondContact O-N 2.91Å
36N98Very high96.5Very high60 Ų6048 Ų4832%0.32125%0.25SC..Hα-helixtrans-69.4-40.6179.1-71.6-14.6000111.1A31 T33 R39 A40 P72A31-N36 WeakPolarHBondContact O-CB 3.39Å; A31-N36 PolarHBondContact O-ND2 2.96Å; T33-N36 PolarHBondContact O-N 3.44Å; T33-N36 PolarHBondContact OG1-N 3.26Å; N36-R39 PolarHBondContact O-N 3.22Å; N36-R39 PolarHBondContact OD1-NH1 2.89Å; N36-A40 WeakPolarHBondContact O-CB 3.45Å; N36-A40 PolarHBondContact O-N 3.46Å; N36-P72 HydrophobicContact CB-CG 4.12Å
37M98.4Very high96.4Very high0 Ų049.4 Ų49.40%026%0.263CS..Hα-helixtrans-58.2-50.5172.2-70.1-65.8-76.900111.6F21 W24 C32 T33 R39 A40 G41 F42 A54 W66 P72F21-M37 HydrophobicContact CD1-CB 4.29Å; F21-M37 HydrophobicContact CE1-CB 3.47Å; F21-M37 VanDerWaalsContact CE1-CB 3.47Å; F21-M37 HydrophobicContact CE1-CE 3.99Å; F21-M37 HydrophobicContact CE1-CG 3.87Å; F21-M37 HydrophobicContact CE2-CB 4.02Å; F21-M37 HydrophobicContact CZ-CB 3.33Å; F21-M37 HydrophobicContact CZ-CE 4.28Å; F21-M37 HydrophobicContact CZ-CG 4.21Å; W24-M37 HydrophobicContact CH2-CE 3.69Å; W24-M37 HydrophobicContact CZ2-CE 3.67Å; W24-M37 HydrophobicContact CZ2-CG 4.11Å; W24-M37 HydrophobicContact CZ2-SD 4.22Å; C32-M37 HydrophobicContact CB-SD 4.41Å; T33-M37 WeakPolarHBondContact O-CB 3.45Å; T33-M37 VanDerWaalsContact O-CG 3.28Å; T33-M37 WeakPolarHBondContact O-CG 3.35Å; T33-M37 PolarHBondContact O-N 3.42Å; M37-R39 VanDerWaalsContact C-N 3.35Å; M37-R39 PolarHBondContact O-N 3.48Å; M37-A40 PolarHBondContact O-N 2.97Å; M37-G41 PolarHBondContact O-N 3.42Å; M37-F42 HydrophobicContact CB-CB 4.4Å; M37-F42 HydrophobicContact CE-CB 4Å; M37-F42 HydrophobicContact CE-CD2 4.1Å; M37-F42 HydrophobicContact CE-CG 4.02Å; M37-F42 WeakPolarHBondContact O-CB 3.35Å; M37-F42 PolarHBondContact O-N 2.92Å; M37-F42 HydrophobicContact SD-CD2 4.21Å; M37-A54 HydrophobicContact CE-CB 3.28Å; M37-W66 HydrophobicContact CE-CD2 3.92Å; M37-W66 HydrophobicContact CE-CE3 4.33Å; M37-W66 HydrophobicContact CE-CH2 3.83Å; M37-W66 HydrophobicContact CE-CZ2 3.34Å; M37-W66 HydrophobicContact CE-CZ3 4.3Å; M37-W66 HydrophobicContact SD-CD2 4.11Å; M37-W66 HydrophobicContact SD-CE3 3.91Å; M37-W66 HydrophobicContact SD-CH2 3.58Å; M37-W66 VanDerWaalsContact SD-CH2 3.58Å; M37-W66 HydrophobicContact SD-CZ2 3.78Å; M37-W66 HydrophobicContact SD-CZ3 3.65Å; M37-P72 HydrophobicContact CG-CB 4.5Å; M37-P72 HydrophobicContact CG-CG 4.03Å; M37-P72 HydrophobicContact SD-CB 3.6Å; M37-P72 VanDerWaalsContact SD-CB 3.6Å; M37-P72 HydrophobicContact SD-CG 3.43Å; M37-P72 WeakPolarHBondContact SD-CG 3.32Å
38A97.6Very high96.4Very high0 Ų053.9 Ų53.90%028%0.28CS..Hα-helixtrans-64.7-35.4177.500000112.4F14 R17 L18 F21 P34 E35 G41F14-A38 HydrophobicContact CD2-CB 4.01Å; F14-A38 HydrophobicContact CE2-CB 3.6Å; F14-A38 HydrophobicContact CZ-CB 4.42Å; R17-A38 HydrophobicContact CB-CB 3.91Å; R17-A38 VanDerWaalsContact CZ-O 3.25Å; R17-A38 PolarHBondContact NE-O 3Å; R17-A38 PolarHBondContact NH2-O 3.15Å; L18-A38 HydrophobicContact CB-CB 4.16Å; F21-A38 HydrophobicContact CE2-CB 4.27Å; P34-A38 VanDerWaalsContact O-CB 3.23Å; P34-A38 WeakPolarHBondContact O-CB 3.35Å; P34-A38 PolarHBondContact O-N 3.24Å; E35-A38 PolarHBondContact O-N 3.38Å; A38-G41 PolarHBondContact O-N 3.33Å; A38-G41 VanDerWaalsContact O-N 3.14Å
39R96.6Very high96.5Very high149 Ų14952.1 Ų52.156%0.56228%0.277SS*.Hα-helixtrans-64.4-41.6173.6-80179.8-172.4109.18112.1F14 E35 N36 M37 G41F14-R39 HydrophobicContact CD2-CG 4.14Å; F14-R39 HydrophobicContact CE2-CG 3.69Å; E35-R39 WeakPolarHBondContact O-CB 3.36Å; E35-R39 VanDerWaalsContact O-CG 3.25Å; E35-R39 WeakPolarHBondContact O-CG 3.07Å; E35-R39 PolarHBondContact O-N 2.91Å; N36-R39 PolarHBondContact O-N 3.22Å; N36-R39 PolarHBondContact OD1-NH1 2.89Å; M37-R39 VanDerWaalsContact C-N 3.35Å; M37-R39 PolarHBondContact O-N 3.48Å; R39-G41 PolarHBondContact O-N 3.42Å; R39-G41 VanDerWaalsContact O-N 3.15Å
40A97.6Very high96.5Very high3 Ų345.4 Ų45.43%0.02524%0.243CC..THydrogen-bonded Turntrans-69.8-4.1174.600000113.4N36 M37 F42 P72 E73 H76 I86N36-A40 WeakPolarHBondContact O-CB 3.45Å; N36-A40 PolarHBondContact O-N 3.46Å; M37-A40 PolarHBondContact O-N 2.97Å; A40-F42 HydrophobicContact CB-CD2 3.92Å; A40-F42 HydrophobicContact CB-CE2 4.09Å; A40-P72 HydrophobicContact CB-CB 3.6Å; A40-E73 HydrophobicContact CB-CB 4.43Å; A40-H76 PolarHBondContact O-CE1 3.06Å; A40-H76 PolarHBondContact O-ND1 3.08Å; A40-I86 HydrophobicContact CB-CD1 4.4Å
41G97.1Very high96.4Very high0 Ų048.3 Ų48.30%026%0.262CS..THydrogen-bonded Turntrans90.715.3175.400000113.9M37 A38 R39 C56 F57M37-G41 PolarHBondContact O-N 3.42Å; A38-G41 PolarHBondContact O-N 3.33Å; A38-G41 VanDerWaalsContact O-N 3.14Å; R39-G41 PolarHBondContact O-N 3.42Å; R39-G41 VanDerWaalsContact O-N 3.15Å; G41-C56 VanDerWaalsContact O-CA 3.28Å; G41-C56 WeakPolarHBondContact O-CA 3.37Å; G41-F57 VanDerWaalsContact O-CD1 3.32Å; G41-F57 WeakPolarHBondContact O-CD1 3.09Å; G41-F57 PolarHBondContact O-N 2.91Å; G41-F57 VanDerWaalsContact O-N 3.09Å
42F98.3Very high96.4Very high0 Ų047.8 Ų47.80%025%0.254CS..EExtended strand (participates in β ladder)trans-81.4151.1172.7-68.6-74.8000111.9F21 M37 A40 A54 M55 C56 L63 W66 P72 H76F21-F42 WeakPolarHBondContact CE2-O 3.31Å; F21-F42 HydrophobicContact CZ-CB 4Å; M37-F42 HydrophobicContact CB-CB 4.4Å; M37-F42 HydrophobicContact CE-CB 4Å; M37-F42 HydrophobicContact CE-CD2 4.1Å; M37-F42 HydrophobicContact CE-CG 4.02Å; M37-F42 WeakPolarHBondContact O-CB 3.35Å; M37-F42 PolarHBondContact O-N 2.92Å; M37-F42 HydrophobicContact SD-CD2 4.21Å; A40-F42 HydrophobicContact CB-CD2 3.92Å; A40-F42 HydrophobicContact CB-CE2 4.09Å; F42-A54 HydrophobicContact CB-CB 4.13Å; F42-A54 HydrophobicContact CD1-CB 4.06Å; F42-A54 HydrophobicContact CG-CB 4.28Å; F42-M55 CarbonylContact C-O 3.55Å; F42-M55 WeakPolarHBondContact CA-O 3.44Å; F42-C56 HydrophobicContact CD1-CB 4.34Å; F42-C56 HydrophobicContact CE1-CB 4.25Å; F42-L63 HydrophobicContact CE1-CD1 4.02Å; F42-L63 HydrophobicContact CE1-CG 4.36Å; F42-L63 HydrophobicContact CZ-CD1 3.67Å; F42-L63 HydrophobicContact CZ-CG 4.49Å; F42-W66 HydrophobicContact CD2-CH2 4.33Å; F42-W66 HydrophobicContact CD2-CZ2 4.39Å; F42-W66 HydrophobicContact CE1-CZ2 4.38Å; F42-W66 AromaticContact CE2-CH2 3.84Å; F42-W66 HydrophobicContact CE2-CH2 3.84Å; F42-W66 HydrophobicContact CE2-CZ2 4.06Å; F42-W66 HydrophobicContact CZ-CH2 4.16Å; F42-W66 HydrophobicContact CZ-CZ2 4.08Å; F42-P72 HydrophobicContact CD2-CB 4.3Å; F42-P72 HydrophobicContact CE2-CB 4.31Å; F42-P72 WeakPolarHBondContact CE2-O 3.3Å; F42-H76 HydrophobicContact CE2-CB 3.85Å; F42-H76 HydrophobicContact CZ-CB 3.83Å
43I98.1Very high96.4Very high13 Ų1347.9 Ų47.97%0.06726%0.255CS..EExtended strand (participates in β ladder)trans-119.1146.2160.454.4165.9000107.9F11 R17 T20 T45 A54 M55 F57F11-I43 HydrophobicContact CD1-CG2 3.66Å; F11-I43 HydrophobicContact CE1-CG2 3.92Å; F11-I43 HydrophobicContact CE2-CD1 4.28Å; F11-I43 HydrophobicContact CG-CG2 4.09Å; F11-I43 HydrophobicContact CZ-CD1 4.37Å; R17-I43 HydrophobicContact CB-CG2 4.05Å; R17-I43 HydrophobicContact CG-CG2 3.83Å; T20-I43 HydrophobicContact CG2-CB 4.04Å; T20-I43 HydrophobicContact CG2-CG2 4.03Å; T20-I43 WeakPolarHBondContact OG1-CA 3.36Å; I43-T45 HydrophobicContact CD1-CG2 3.93Å; I43-T45 HydrophobicContact CG1-CG2 4.08Å; I43-A54 CarbonylContact O-C 3.29Å; I43-A54 VanDerWaalsContact O-CA 3.29Å; I43-A54 WeakPolarHBondContact O-CA 3.39Å; I43-M55 HydrophobicContact CD1-CE 4.12Å; I43-M55 HydrophobicContact CG1-CB 4.48Å; I43-M55 WeakPolarHBondContact CG1-O 3.4Å; I43-M55 PolarHBondContact N-O 3.17Å; I43-M55 PolarHBondContact O-N 3.48Å; I43-F57 HydrophobicContact CG2-CB 4.38Å
44H98.1Very high96.4Very high13 Ų1347.3 Ų47.36%0.0625%0.251CS..EExtended strand (participates in β ladder)trans-79.9126.1175.5-175.2-150.8000109.6T20 F21 W24 P51 T53T20-H44 WeakPolarHBondContact O-CB 3.49Å; T20-H44 PolarHBondContact O-ND1 3.22Å; T20-H44 PolarHBondContact OG1-N 2.86Å; F21-H44 HydrophobicContact CB-CB 4.39Å; F21-H44 HydrophobicContact CD1-CB 3.68Å; F21-H44 HydrophobicContact CD2-CB 4.32Å; F21-H44 HydrophobicContact CE1-CB 3.85Å; F21-H44 HydrophobicContact CE2-CB 4.47Å; F21-H44 HydrophobicContact CG-CB 3.89Å; F21-H44 HydrophobicContact CZ-CB 4.22Å; W24-H44 AromaticContact CE3-CD2 3.39Å; W24-H44 AromaticContact CE3-CG 3.85Å; W24-H44 AromaticContact CE3-NE2 3.51Å; W24-H44 AromaticContact CZ3-CD2 3.46Å; W24-H44 VanDerWaalsContact CZ3-CD2 3.46Å; W24-H44 WeakPolarHBondContact CZ3-CD2 3.31Å; W24-H44 AromaticContact CZ3-NE2 3.82Å; H44-P51 PolarHBondContact NE2-O 2.93Å; H44-T53 PolarHBondContact CD2-O 2.99Å; H44-T53 VanDerWaalsContact CD2-O 3.28Å
45T96.1Very high96.3Very high46 Ų4648.2 Ų48.228%0.28225%0.254SS..  trans-135.364.5-17852.40000109.5I43 T53 M55I43-T45 HydrophobicContact CD1-CG2 3.93Å; I43-T45 HydrophobicContact CG1-CG2 4.08Å; T45-T53 CarbonylContact C-O 3.51Å; T45-T53 PolarHBondContact N-O 3.13Å; T45-T53 WeakPolarHBondContact O-CB 3.45Å; T45-M55 HydrophobicContact CG2-CB 4.43Å; T45-M55 HydrophobicContact CG2-CE 4.27Å
46P96.2Very high96.3Very high71 Ų7144.7 Ų44.746%0.46124%0.237SC..  trans-67.4151.6-173.428.8-34.1000111.7S50 P51P46-S50 WeakPolarHBondContact CA-O 3.47Å; P46-P51 WeakPolarHBondContact CB-O 3.43Å
47S93Very high96.2Very high60 Ų6042 Ų4242%0.4222%0.223SC..  trans-121.5167.8165.678.10000110.2N49 S50S47-N49 PolarHBondContact O-N 3.44Å; S47-N49 VanDerWaalsContact O-N 3.17Å; S47-S50 PolarHBondContact N-O 2.9Å; S47-S50 CarbonylContact O-C 3.45Å; S47-S50 VanDerWaalsContact O-C 3.29Å; S47-S50 PolarHBondContact O-N 3.33Å; S47-S50 PolarHBondContact OG-N 2.93Å
48E90.7Very high96Very high196 Ų19642 Ų4292%0.91622%0.223SC*.SBendtrans-56.8-31.7178.5-66.5-176.4171.800112.9
49N92.3Very high95.8Very high151 Ų15142 Ų4281%0.80722%0.223SC*.SBendtrans-96.9-13.7-178.3-60.9-45.8000113.4S47S47-N49 PolarHBondContact O-N 3.44Å; S47-N49 VanDerWaalsContact O-N 3.17Å
50S92.8Very high95.6Very high22 Ų2237.8 Ų37.815%0.15421%0.211CC..  trans-139.981.4-176.5-53.80000109.3P46 S47 D52 T53 E64P46-S50 WeakPolarHBondContact CA-O 3.47Å; S47-S50 PolarHBondContact N-O 2.9Å; S47-S50 CarbonylContact O-C 3.45Å; S47-S50 VanDerWaalsContact O-C 3.29Å; S47-S50 PolarHBondContact O-N 3.33Å; S47-S50 PolarHBondContact OG-N 2.93Å; S50-D52 PolarHBondContact O-N 3.4Å; S50-T53 WeakPolarHBondContact CB-OG1 3.41Å; S50-T53 PolarHBondContact O-N 3.35Å; S50-T53 PolarHBondContact O-OG1 2.89Å; S50-T53 VanDerWaalsContact O-OG1 3.11Å; S50-E64 WeakPolarHBondContact CB-OE2 3.49Å; S50-E64 PolarHBondContact OG-OE2 2.98Å
51P94.6Very high95.5Very high84 Ų8440.7 Ų40.755%0.54522%0.223SC..THydrogen-bonded Turntrans-72.5-15.1-173.929.4-35.6000113.4H44 P46H44-P51 PolarHBondContact NE2-O 2.93Å; P46-P51 WeakPolarHBondContact CB-O 3.43Å
52D96.3Very high95.5Very high23 Ų2345.5 Ų45.512%0.12325%0.245CC..THydrogen-bonded Turntrans-108.916.1-178.471.8-37.8000112.6W24 P25 S50 A54 G65 W66W24-D52 HydrophobicContact CH2-CB 4.17Å; W24-D52 WeakPolarHBondContact CH2-O 3.24Å; W24-D52 HydrophobicContact CZ3-CB 4.1Å; W24-D52 WeakPolarHBondContact CZ3-O 3.44Å; P25-D52 HydrophobicContact CG-CB 4.26Å; S50-D52 PolarHBondContact O-N 3.4Å; D52-A54 PolarHBondContact O-N 3.27Å; D52-G65 WeakPolarHBondContact OD2-CA 3.4Å; D52-G65 PolarHBondContact OD2-N 3.05Å; D52-W66 PolarHBondContact OD2-N 3.48Å
53T97.9Very high95.5Very high3 Ų346.5 Ų46.52%0.01825%0.251CS..  trans-65.4126.9176.4-56.90000111.3H44 T45 S50 E62H44-T53 PolarHBondContact CD2-O 2.99Å; H44-T53 VanDerWaalsContact CD2-O 3.28Å; T45-T53 CarbonylContact C-O 3.51Å; T45-T53 PolarHBondContact N-O 3.13Å; T45-T53 WeakPolarHBondContact O-CB 3.45Å; S50-T53 WeakPolarHBondContact CB-OG1 3.41Å; S50-T53 PolarHBondContact O-N 3.35Å; S50-T53 PolarHBondContact O-OG1 2.89Å; S50-T53 VanDerWaalsContact O-OG1 3.11Å; T53-E62 VanDerWaalsContact CG2-CD 3.48Å; T53-E62 HydrophobicContact CG2-CG 3.35Å; T53-E62 WeakPolarHBondContact CG2-OE1 3.48Å
54A98.2Very high95.4Very high0 Ų051.2 Ų51.20%027%0.272CS..EExtended strand (participates in β ladder)trans-126.7138.3174.800000111W24 M37 F42 I43 D52 E62 L63W24-A54 HydrophobicContact CH2-CB 4.16Å; W24-A54 HydrophobicContact CZ3-CB 4.35Å; M37-A54 HydrophobicContact CE-CB 3.28Å; F42-A54 HydrophobicContact CB-CB 4.13Å; F42-A54 HydrophobicContact CD1-CB 4.06Å; F42-A54 HydrophobicContact CG-CB 4.28Å; I43-A54 CarbonylContact O-C 3.29Å; I43-A54 VanDerWaalsContact O-CA 3.29Å; I43-A54 WeakPolarHBondContact O-CA 3.39Å; D52-A54 PolarHBondContact O-N 3.27Å; A54-E62 WeakPolarHBondContact O-CA 3.37Å; A54-L63 PolarHBondContact N-O 2.88Å; A54-L63 PolarHBondContact O-N 3.38Å
55M97.5Very high95.4Very high44 Ų4453.1 Ų53.122%0.21730%0.296CS..EExtended strand (participates in β ladder)trans-121.8134.3-179-179.1178.355.200110.9F42 I43 T45 F57 L60 K61F42-M55 CarbonylContact C-O 3.55Å; F42-M55 WeakPolarHBondContact CA-O 3.44Å; I43-M55 HydrophobicContact CD1-CE 4.12Å; I43-M55 HydrophobicContact CG1-CB 4.48Å; I43-M55 WeakPolarHBondContact CG1-O 3.4Å; I43-M55 PolarHBondContact N-O 3.17Å; I43-M55 PolarHBondContact O-N 3.48Å; T45-M55 HydrophobicContact CG2-CB 4.43Å; T45-M55 HydrophobicContact CG2-CE 4.27Å; M55-F57 PolarHBondContact O-N 3.27Å; M55-L60 HydrophobicContact SD-CB 4.11Å; M55-L60 HydrophobicContact SD-CD2 4.17Å; M55-K61 CarbonylContact C-O 3.46Å; M55-K61 WeakPolarHBondContact CA-O 3.37Å
56C97.2Very high95.5Very high0 Ų051.6 Ų51.60%029%0.285CS..EExtended strand (participates in β ladder)trans-67.7124.9170.6175.50000110.7G41 F42 F58 C59 L60 K61 H76G41-C56 VanDerWaalsContact O-CA 3.28Å; G41-C56 WeakPolarHBondContact O-CA 3.37Å; F42-C56 HydrophobicContact CD1-CB 4.34Å; F42-C56 HydrophobicContact CE1-CB 4.25Å; C56-F58 PolarHBondContact O-N 2.85Å; C56-F58 VanDerWaalsContact O-N 3.07Å; C56-F58 PolarHBondContact SG-N 3.4Å; C56-C59 VanDerWaalsContact CB-SG 3.52Å; C56-C59 VanDerWaalsContact SG-SG 3.66Å; C56-L60 WeakPolarHBondContact O-CA 3.28Å; C56-L60 PolarHBondContact O-N 3.33Å; C56-K61 PolarHBondContact N-O 3.5Å; C56-H76 PolarHBondContact SG-CE1 2.93Å
57F94.9Very high95.5Very high4 Ų454 Ų542%0.01829%0.29CS..THydrogen-bonded Turntrans-64.1-17.2-179.785.9-80.8000114F11 Y12 G41 I43 M55 F85 K107F11-F57 HydrophobicContact CB-CB 3.6Å; F11-F57 HydrophobicContact CB-CD1 4.46Å; F11-F57 HydrophobicContact CB-CD2 3.53Å; F11-F57 HydrophobicContact CB-CE2 4.36Å; F11-F57 HydrophobicContact CB-CG 3.6Å; F11-F57 HydrophobicContact CD2-CB 4.43Å; F11-F57 HydrophobicContact CG-CB 4.2Å; Y12-F57 AromaticContact CD1-CE2 3.92Å; Y12-F57 HydrophobicContact CD1-CE2 3.92Å; Y12-F57 AromaticContact CD1-CZ 3.93Å; Y12-F57 HydrophobicContact CD1-CZ 3.93Å; Y12-F57 HydrophobicContact CD2-CD2 4.42Å; Y12-F57 AromaticContact CD2-CE2 3.57Å; Y12-F57 HydrophobicContact CD2-CE2 3.57Å; Y12-F57 HydrophobicContact CD2-CZ 4.37Å; Y12-F57 AromaticContact CE1-CE2 3.92Å; Y12-F57 HydrophobicContact CE1-CE2 3.92Å; Y12-F57 HydrophobicContact CE1-CZ 4.06Å; Y12-F57 HydrophobicContact CE2-CD2 4.42Å; Y12-F57 AromaticContact CE2-CE2 3.61Å; Y12-F57 HydrophobicContact CE2-CE2 3.61Å; Y12-F57 AromaticContact CG-CE2 3.76Å; Y12-F57 HydrophobicContact CG-CE2 3.76Å; Y12-F57 HydrophobicContact CG-CZ 4.11Å; Y12-F57 AromaticContact CZ-CE2 3.81Å; G41-F57 VanDerWaalsContact O-CD1 3.32Å; G41-F57 WeakPolarHBondContact O-CD1 3.09Å; G41-F57 PolarHBondContact O-N 2.91Å; G41-F57 VanDerWaalsContact O-N 3.09Å; I43-F57 HydrophobicContact CG2-CB 4.38Å; M55-F57 PolarHBondContact O-N 3.27Å; F57-F85 AromaticContact CE1-CD1 3.99Å; F57-F85 HydrophobicContact CE1-CD1 3.99Å; F57-F85 AromaticContact CE1-CD2 3.57Å; F57-F85 HydrophobicContact CE1-CD2 3.57Å; F57-F85 AromaticContact CE1-CE1 3.99Å; F57-F85 HydrophobicContact CE1-CE1 3.99Å; F57-F85 AromaticContact CE1-CE2 3.53Å; F57-F85 HydrophobicContact CE1-CE2 3.53Å; F57-F85 AromaticContact CE1-CG 3.8Å; F57-F85 HydrophobicContact CE1-CG 3.8Å; F57-F85 AromaticContact CE1-CZ 3.76Å; F57-F85 HydrophobicContact CE1-CZ 3.76Å; F57-F85 AromaticContact CZ-CD2 3.47Å; F57-F85 HydrophobicContact CZ-CD2 3.47Å; F57-F85 VanDerWaalsContact CZ-CD2 3.47Å; F57-F85 AromaticContact CZ-CE2 3.58Å; F57-F85 HydrophobicContact CZ-CE2 3.58Å; F57-F85 HydrophobicContact CZ-CG 4.06Å; F57-F85 HydrophobicContact CZ-CZ 4.27Å; F57-K107 VanDerWaalsContact O-CE 3.32Å; F57-K107 WeakPolarHBondContact O-CE 3.39Å; F57-K107 PolarHBondContact O-NZ 3.48Å
58F94.3Very high95.8Very high0 Ų053.3 Ų53.30%028%0.284CS..THydrogen-bonded Turntrans-96.8-60.3-175.5-169.7-80.9000112Y12 C56 H84 F85 L103 E106 K107Y12-F58 HydrophobicContact CE1-CD2 4.29Å; Y12-F58 HydrophobicContact CE1-CE2 4.44Å; Y12-F58 WeakPolarHBondContact OH-CE2 3.48Å; C56-F58 PolarHBondContact O-N 2.85Å; C56-F58 VanDerWaalsContact O-N 3.07Å; C56-F58 PolarHBondContact SG-N 3.4Å; F58-H84 HydrophobicContact CE1-CB 3.79Å; F58-H84 HydrophobicContact CZ-CB 3.77Å; F58-F85 HydrophobicContact CB-CB 3.7Å; F58-F85 HydrophobicContact CB-CG 4.39Å; F58-F85 HydrophobicContact CD1-CB 4.21Å; F58-F85 HydrophobicContact CD2-CB 3.83Å; F58-F85 HydrophobicContact CE2-CB 4.5Å; F58-F85 HydrophobicContact CG-CB 3.64Å; F58-L103 HydrophobicContact CD2-CD1 4.42Å; F58-L103 HydrophobicContact CE2-CD1 3.43Å; F58-L103 VanDerWaalsContact CE2-CD1 3.43Å; F58-L103 HydrophobicContact CE2-CG 3.78Å; F58-L103 HydrophobicContact CZ-CD1 3.72Å; F58-L103 HydrophobicContact CZ-CG 4.44Å; F58-E106 HydrophobicContact CZ-CB 4.5Å; F58-K107 HydrophobicContact CD1-CG 4.45Å; F58-K107 HydrophobicContact CD2-CB 3.94Å; F58-K107 HydrophobicContact CD2-CD 3.97Å; F58-K107 HydrophobicContact CD2-CG 4Å; F58-K107 HydrophobicContact CE1-CB 4.05Å; F58-K107 HydrophobicContact CE1-CG 4.46Å; F58-K107 HydrophobicContact CE2-CB 3.44Å; F58-K107 VanDerWaalsContact CE2-CB 3.44Å; F58-K107 HydrophobicContact CE2-CD 4.3Å; F58-K107 HydrophobicContact CE2-CG 4.04Å; F58-K107 HydrophobicContact CG-CB 4.45Å; F58-K107 HydrophobicContact CG-CD 4.41Å; F58-K107 HydrophobicContact CG-CG 4.22Å; F58-K107 HydrophobicContact CZ-CB 3.5Å; F58-K107 VanDerWaalsContact CZ-CB 3.5Å; F58-K107 HydrophobicContact CZ-CG 4.27Å; F58-K107 VanDerWaalsContact CZ-N 3.32Å
59C93.9Very high96.1Very high0 Ų051 Ų510%027%0.273CS..THydrogen-bonded Turntrans-93.1-3-177.269.90000113.5C56 K61 H76 S80 C83 F110 K114C56-C59 VanDerWaalsContact CB-SG 3.52Å; C56-C59 VanDerWaalsContact SG-SG 3.66Å; C59-K61 PolarHBondContact O-N 3.19Å; C59-K61 VanDerWaalsContact O-N 3.09Å; C59-K61 VanDerWaalsContact SG-CB 3.53Å; C59-H76 PolarHBondContact SG-NE2 2.95Å; C59-S80 PolarHBondContact SG-OG 3.09Å; C59-C83 HydrophobicContact CB-CB 3.92Å; C59-F110 HydrophobicContact CB-CD1 4.06Å; C59-F110 HydrophobicContact CB-CE1 3.54Å; C59-F110 HydrophobicContact CB-CE2 4.4Å; C59-F110 HydrophobicContact CB-CZ 3.72Å; C59-F110 WeakPolarHBondContact O-CE1 3.48Å; C59-K114 PolarHBondContact O-NZ 3.4Å
60L93.6Very high96.4Very high60 Ų6045.5 Ų45.531%0.31424%0.244SC..  trans56.825.9-179.6-46.8179.2000112.5M55 C56 E62 V111 K114M55-L60 HydrophobicContact SD-CB 4.11Å; M55-L60 HydrophobicContact SD-CD2 4.17Å; C56-L60 WeakPolarHBondContact O-CA 3.28Å; C56-L60 PolarHBondContact O-N 3.33Å; L60-E62 PolarHBondContact O-N 2.93Å; L60-V111 HydrophobicContact CD1-CG1 4.23Å; L60-V111 HydrophobicContact CD1-CG2 3.93Å; L60-V111 HydrophobicContact CG-CG2 4.35Å; L60-K114 PolarHBondContact O-NZ 3.07Å
61K95.3Very high96.7Very high64 Ų6447 Ų4728%0.27825%0.25SS..  trans-77.1118.9173.3-179.855.6176.7135.60107.6M55 C56 C59 L63 H79M55-K61 CarbonylContact C-O 3.46Å; M55-K61 WeakPolarHBondContact CA-O 3.37Å; C56-K61 PolarHBondContact N-O 3.5Å; C59-K61 PolarHBondContact O-N 3.19Å; C59-K61 VanDerWaalsContact O-N 3.09Å; C59-K61 VanDerWaalsContact SG-CB 3.53Å; K61-L63 HydrophobicContact CG-CD2 4.4Å; K61-H79 HydrophobicContact CG-CB 4.24Å
62E96.6Very high96.9Very high101 Ų10143.2 Ų43.247%0.47223%0.226SC..EExtended strand (participates in β ladder)trans-94.4138.2175.2-165.1174.1122.100109.6T53 A54 L60T53-E62 VanDerWaalsContact CG2-CD 3.48Å; T53-E62 HydrophobicContact CG2-CG 3.35Å; T53-E62 WeakPolarHBondContact CG2-OE1 3.48Å; A54-E62 WeakPolarHBondContact O-CA 3.37Å; L60-E62 PolarHBondContact O-N 2.93Å
63L97.9Very high96.9Very high21 Ų2146.4 Ų46.411%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-137.5142176.4-60.3179.2000108.7F42 A54 K61 W66 E75 H79F42-L63 HydrophobicContact CE1-CD1 4.02Å; F42-L63 HydrophobicContact CE1-CG 4.36Å; F42-L63 HydrophobicContact CZ-CD1 3.67Å; F42-L63 HydrophobicContact CZ-CG 4.49Å; A54-L63 PolarHBondContact N-O 2.88Å; A54-L63 PolarHBondContact O-N 3.38Å; K61-L63 HydrophobicContact CG-CD2 4.4Å; L63-W66 HydrophobicContact CB-CZ2 3.88Å; L63-W66 HydrophobicContact CD1-CH2 4.18Å; L63-W66 HydrophobicContact CD1-CZ2 3.85Å; L63-W66 PolarHBondContact O-NE1 3.33Å; L63-E75 HydrophobicContact CD1-CB 4.18Å; L63-H79 HydrophobicContact CD2-CB 3.98Å
64E97.1Very high96.9Very high112 Ų11252.6 Ų52.652%0.52327%0.266SS..  trans-143.9169177.364.7178.9-172.900108.2S50S50-E64 WeakPolarHBondContact CB-OE2 3.49Å; S50-E64 PolarHBondContact OG-OE2 2.98Å
65G96.7Very high97Very high54 Ų5455.1 Ų55.156%0.55728%0.278SS*.  trans75.438.3-175.700000112.6D52D52-G65 WeakPolarHBondContact OD2-CA 3.4Å; D52-G65 PolarHBondContact OD2-N 3.05Å
66W98Very high97Very high14 Ų1453 Ų535%0.05327%0.268CS..  trans-66.4139.8178.9-71.585.9000110.7W24 F26 C32 M37 F42 D52 L63 D70 P72 E75W24-W66 HydrophobicContact CH2-CB 4.43Å; W24-W66 AromaticContact CH2-CD1 3.57Å; W24-W66 AromaticContact CH2-CG 3.92Å; W24-W66 HydrophobicContact CH2-CG 3.92Å; W24-W66 AromaticContact CH2-NE1 3.94Å; W24-W66 HydrophobicContact CZ2-CB 4.23Å; W24-W66 HydrophobicContact CZ2-CD2 4.4Å; W24-W66 AromaticContact CZ2-CG 3.97Å; W24-W66 HydrophobicContact CZ2-CG 3.97Å; F26-W66 HydrophobicContact CD2-CB 4.31Å; F26-W66 HydrophobicContact CE2-CB 3.64Å; F26-W66 WeakPolarHBondContact CE2-O 3.46Å; F26-W66 HydrophobicContact CZ-CB 4.45Å; F26-W66 WeakPolarHBondContact CZ-O 3.36Å; C32-W66 HydrophobicContact CB-CE3 3.95Å; C32-W66 HydrophobicContact CB-CZ3 4.49Å; M37-W66 HydrophobicContact CE-CD2 3.92Å; M37-W66 HydrophobicContact CE-CE3 4.33Å; M37-W66 HydrophobicContact CE-CH2 3.83Å; M37-W66 HydrophobicContact CE-CZ2 3.34Å; M37-W66 HydrophobicContact CE-CZ3 4.3Å; M37-W66 HydrophobicContact SD-CD2 4.11Å; M37-W66 HydrophobicContact SD-CE3 3.91Å; M37-W66 HydrophobicContact SD-CH2 3.58Å; M37-W66 VanDerWaalsContact SD-CH2 3.58Å; M37-W66 HydrophobicContact SD-CZ2 3.78Å; M37-W66 HydrophobicContact SD-CZ3 3.65Å; F42-W66 HydrophobicContact CD2-CH2 4.33Å; F42-W66 HydrophobicContact CD2-CZ2 4.39Å; F42-W66 HydrophobicContact CE1-CZ2 4.38Å; F42-W66 AromaticContact CE2-CH2 3.84Å; F42-W66 HydrophobicContact CE2-CH2 3.84Å; F42-W66 HydrophobicContact CE2-CZ2 4.06Å; F42-W66 HydrophobicContact CZ-CH2 4.16Å; F42-W66 HydrophobicContact CZ-CZ2 4.08Å; D52-W66 PolarHBondContact OD2-N 3.48Å; L63-W66 HydrophobicContact CB-CZ2 3.88Å; L63-W66 HydrophobicContact CD1-CH2 4.18Å; L63-W66 HydrophobicContact CD1-CZ2 3.85Å; L63-W66 PolarHBondContact O-NE1 3.33Å; W66-D70 HydrophobicContact CE3-CB 3.75Å; W66-D70 HydrophobicContact CZ3-CB 4.04Å; W66-P72 HydrophobicContact CH2-CB 4.11Å; W66-P72 HydrophobicContact CZ3-CB 4.11Å; W66-P72 HydrophobicContact CZ3-CG 4.09Å; W66-E75 HydrophobicContact CH2-CB 3.89Å; W66-E75 HydrophobicContact CH2-CG 4.34Å; W66-E75 HydrophobicContact CZ3-CB 4.07Å; W66-E75 HydrophobicContact CZ3-CG 4.02Å
67E97.8Very high97Very high120 Ų12057.8 Ų57.856%0.56129%0.286SS*.  trans-109.1152.3173.5-62.8-174.7171.200110.2C32 E69 D70C32-E67 PolarHBondContact SG-O 3.46Å; E67-E69 PolarHBondContact O-N 3.02Å; E67-D70 PolarHBondContact N-OD2 3.38Å; E67-D70 WeakPolarHBondContact O-CB 3.38Å; E67-D70 PolarHBondContact O-N 3.48Å
68P97.8Very high97.1Very high47 Ų4761.2 Ų61.231%0.30531%0.31SS..THydrogen-bonded Turntrans-51.1-33.6-179.9-29.336.1000114.2F26 C30 A31F26-P68 HydrophobicContact CD1-CB 4.42Å; F26-P68 HydrophobicContact CD1-CG 3.95Å; F26-P68 HydrophobicContact CE1-CG 3.75Å; C30-P68 CarbonylContact C-O 3.52Å; C30-P68 WeakPolarHBondContact CA-O 3.36Å; C30-P68 HydrophobicContact CB-CB 4.23Å; A31-P68 WeakPolarHBondContact CB-O 3.49Å; A31-P68 PolarHBondContact N-O 2.93Å
69E98.1Very high97.2Very high146 Ų14665.9 Ų65.968%0.68233%0.332SS*.THydrogen-bonded Turntrans-86.4-6.3-175.8-61.275.1-165.300114.2E67 D71E67-E69 PolarHBondContact O-N 3.02Å; E69-D71 PolarHBondContact O-N 2.9Å
70D98.4Very high97.3Very high37 Ų3766.4 Ų66.420%0.19834%0.336CS..  trans-67130.1-177.1-74.8-24.8000111.7A31 C32 W66 E67 P72 E75A31-D70 CarbonylContact C-O 3.58Å; A31-D70 VanDerWaalsContact CB-O 3.26Å; A31-D70 WeakPolarHBondContact CB-O 3.19Å; C32-D70 HydrophobicContact CB-CB 4.46Å; C32-D70 WeakPolarHBondContact CB-O 3.34Å; C32-D70 PolarHBondContact N-O 2.93Å; W66-D70 HydrophobicContact CE3-CB 3.75Å; W66-D70 HydrophobicContact CZ3-CB 4.04Å; E67-D70 PolarHBondContact N-OD2 3.38Å; E67-D70 WeakPolarHBondContact O-CB 3.38Å; E67-D70 PolarHBondContact O-N 3.48Å; D70-P72 VanDerWaalsContact O-CD 3.3Å; D70-P72 WeakPolarHBondContact O-CD 2.99Å; D70-E75 HydrophobicContact CB-CG 4.32Å
71D98.4Very high97.2Very high53 Ų5368.6 Ų68.628%0.28336%0.356SS..  trans-90.5110.6174.2178.7-47.6000109E69 E73 K74 E75E69-D71 PolarHBondContact O-N 2.9Å; D71-E73 PolarHBondContact O-N 3.48Å; D71-E73 VanDerWaalsContact O-N 3.16Å; D71-E73 WeakPolarHBondContact OD1-CB 3.46Å; D71-E73 PolarHBondContact OD1-N 3.03Å; D71-K74 HydrophobicContact CB-CB 3.97Å; D71-K74 HydrophobicContact CB-CD 3.95Å; D71-K74 HydrophobicContact CB-CG 3.94Å; D71-K74 PolarHBondContact O-N 3.45Å; D71-K74 VanDerWaalsContact O-N 3.07Å; D71-K74 PolarHBondContact OD1-N 3.4Å; D71-K74 IonicContact OD2-NZ 3.64Å; D71-K74 PolarHBondContact OD2-NZ 2.95Å; D71-E75 PolarHBondContact O-N 3.46Å
72P98.3Very high97Very high4 Ų468.7 Ų68.73%0.02637%0.365CS..Hα-helixtrans-61.1-31.3-173.2-27.838.6000113.9C32 N36 M37 A40 F42 W66 D70 H76C32-P72 HydrophobicContact CB-CG 4.2Å; N36-P72 HydrophobicContact CB-CG 4.12Å; M37-P72 HydrophobicContact CG-CB 4.5Å; M37-P72 HydrophobicContact CG-CG 4.03Å; M37-P72 HydrophobicContact SD-CB 3.6Å; M37-P72 VanDerWaalsContact SD-CB 3.6Å; M37-P72 HydrophobicContact SD-CG 3.43Å; M37-P72 WeakPolarHBondContact SD-CG 3.32Å; A40-P72 HydrophobicContact CB-CB 3.6Å; F42-P72 HydrophobicContact CD2-CB 4.3Å; F42-P72 HydrophobicContact CE2-CB 4.31Å; F42-P72 WeakPolarHBondContact CE2-O 3.3Å; W66-P72 HydrophobicContact CH2-CB 4.11Å; W66-P72 HydrophobicContact CZ3-CB 4.11Å; W66-P72 HydrophobicContact CZ3-CG 4.09Å; D70-P72 VanDerWaalsContact O-CD 3.3Å; D70-P72 WeakPolarHBondContact O-CD 2.99Å; P72-H76 VanDerWaalsContact O-CB 3.24Å; P72-H76 WeakPolarHBondContact O-CB 3.31Å; P72-H76 PolarHBondContact O-N 3.37Å
73E97.8Very high97Very high90 Ų9063.9 Ų63.942%0.42134%0.342SS..Hα-helixtrans-71.6-42.6177.4174.9172.917100111.1A40 D71 H76 R77 I86A40-E73 HydrophobicContact CB-CB 4.43Å; D71-E73 PolarHBondContact O-N 3.48Å; D71-E73 VanDerWaalsContact O-N 3.16Å; D71-E73 WeakPolarHBondContact OD1-CB 3.46Å; D71-E73 PolarHBondContact OD1-N 3.03Å; E73-H76 PolarHBondContact O-N 3.1Å; E73-R77 VanDerWaalsContact O-CG 3.3Å; E73-R77 WeakPolarHBondContact O-CG 3.48Å; E73-R77 PolarHBondContact O-N 3.06Å; E73-R77 IonicContact OE1-CZ 3.46Å; E73-R77 VanDerWaalsContact OE1-CZ 3.25Å; E73-R77 IonicContact OE1-NE 3.45Å; E73-R77 PolarHBondContact OE1-NE 3.43Å; E73-R77 IonicContact OE1-NH2 2.72Å; E73-R77 PolarHBondContact OE1-NH2 2.66Å; E73-I86 HydrophobicContact CB-CD1 4.4Å; E73-I86 HydrophobicContact CG-CD1 3.9Å; E73-I86 HydrophobicContact CG-CG1 4.22Å
74K98.1Very high96.8Very high133 Ų13366.8 Ų66.858%0.57836%0.355SS*.Hα-helixtrans-63.3-45.5175.8-67.8-173.6-169.7103.80111.4D71 H76 R77 S78D71-K74 HydrophobicContact CB-CB 3.97Å; D71-K74 HydrophobicContact CB-CD 3.95Å; D71-K74 HydrophobicContact CB-CG 3.94Å; D71-K74 PolarHBondContact O-N 3.45Å; D71-K74 VanDerWaalsContact O-N 3.07Å; D71-K74 PolarHBondContact OD1-N 3.4Å; D71-K74 IonicContact OD2-NZ 3.64Å; D71-K74 PolarHBondContact OD2-NZ 2.95Å; K74-H76 VanDerWaalsContact C-N 3.33Å; K74-H76 PolarHBondContact O-N 2.93Å; K74-R77 PolarHBondContact O-N 3.01Å; K74-S78 WeakPolarHBondContact O-CB 3.27Å; K74-S78 PolarHBondContact O-N 3.41Å; K74-S78 PolarHBondContact O-OG 3.01Å
75E98.5Very high96.8Very high53 Ų5362.2 Ų62.225%0.24833%0.334CS..Hα-helixtrans-61.8-41.5177.2-71.8-48.8113.900111.8L63 W66 D70 D71 R77 S78 H79L63-E75 HydrophobicContact CD1-CB 4.18Å; W66-E75 HydrophobicContact CH2-CB 3.89Å; W66-E75 HydrophobicContact CH2-CG 4.34Å; W66-E75 HydrophobicContact CZ3-CB 4.07Å; W66-E75 HydrophobicContact CZ3-CG 4.02Å; D70-E75 HydrophobicContact CB-CG 4.32Å; D71-E75 PolarHBondContact O-N 3.46Å; E75-R77 PolarHBondContact O-N 3.28Å; E75-S78 PolarHBondContact O-N 3.46Å; E75-S78 PolarHBondContact O-OG 2.83Å; E75-H79 WeakPolarHBondContact O-CB 3.49Å; E75-H79 PolarHBondContact O-CD2 2.98Å; E75-H79 PolarHBondContact O-N 3.05Å; E75-H79 VanDerWaalsContact O-N 3.07Å; E75-H79 IonicContact OE2-CD2 2.76Å; E75-H79 PolarHBondContact OE2-CD2 3.29Å; E75-H79 IonicContact OE2-NE2 3.31Å
76H98.1Very high96.7Very high0 Ų060.3 Ų60.30%031%0.31CS..Hα-helixtrans-62.7-45174.3-167.6170.3000111.6A40 F42 C56 C59 P72 E73 K74 S78 H79 S80 C83 I86A40-H76 PolarHBondContact O-CE1 3.06Å; A40-H76 PolarHBondContact O-ND1 3.08Å; F42-H76 HydrophobicContact CE2-CB 3.85Å; F42-H76 HydrophobicContact CZ-CB 3.83Å; C56-H76 PolarHBondContact SG-CE1 2.93Å; C59-H76 PolarHBondContact SG-NE2 2.95Å; P72-H76 VanDerWaalsContact O-CB 3.24Å; P72-H76 WeakPolarHBondContact O-CB 3.31Å; P72-H76 PolarHBondContact O-N 3.37Å; E73-H76 PolarHBondContact O-N 3.1Å; K74-H76 VanDerWaalsContact C-N 3.33Å; K74-H76 PolarHBondContact O-N 2.93Å; H76-S78 PolarHBondContact O-N 2.72Å; H76-H79 PolarHBondContact O-N 3.18Å; H76-S80 CarbonylContact O-C 3.6Å; H76-S80 WeakPolarHBondContact O-CA 3.46Å; H76-S80 PolarHBondContact O-N 3.22Å; H76-C83 WeakPolarHBondContact NE2-CB 3.45Å; H76-C83 PolarHBondContact NE2-SG 3.47Å; H76-I86 HydrophobicContact CB-CD1 4.47Å; H76-I86 HydrophobicContact CB-CG1 4.24Å
77R97.3Very high96.4Very high101 Ų10162.4 Ų62.438%0.38133%0.331SS..Hα-helixtrans-66.2-37.1179.5-71.5179-171.3-63.4-1.6112.5E73 K74 E75 S81 I86E73-R77 VanDerWaalsContact O-CG 3.3Å; E73-R77 WeakPolarHBondContact O-CG 3.48Å; E73-R77 PolarHBondContact O-N 3.06Å; E73-R77 IonicContact OE1-CZ 3.46Å; E73-R77 VanDerWaalsContact OE1-CZ 3.25Å; E73-R77 IonicContact OE1-NE 3.45Å; E73-R77 PolarHBondContact OE1-NE 3.43Å; E73-R77 IonicContact OE1-NH2 2.72Å; E73-R77 PolarHBondContact OE1-NH2 2.66Å; K74-R77 PolarHBondContact O-N 3.01Å; E75-R77 PolarHBondContact O-N 3.28Å; R77-S81 VanDerWaalsContact O-CA 3.29Å; R77-S81 WeakPolarHBondContact O-CA 3.26Å; R77-S81 WeakPolarHBondContact O-CB 3.29Å; R77-S81 PolarHBondContact O-N 3.35Å; R77-I86 HydrophobicContact CG-CG1 3.95Å; R77-I86 HydrophobicContact CG-CG2 4.17Å; R77-I86 PolarHBondContact NH1-O 2.81Å; R77-I86 PolarHBondContact NH2-O 3.31Å
78S97.6Very high96.2Very high75 Ų7559.3 Ų59.352%0.52432%0.318SS..Hα-helixtrans-67.5-41.917970.50000111.2K74 E75 H76K74-S78 WeakPolarHBondContact O-CB 3.27Å; K74-S78 PolarHBondContact O-N 3.41Å; K74-S78 PolarHBondContact O-OG 3.01Å; E75-S78 PolarHBondContact O-N 3.46Å; E75-S78 PolarHBondContact O-OG 2.83Å; H76-S78 PolarHBondContact O-N 2.72Å
79H96.5Very high95.9Very high98 Ų9867.1 Ų67.145%0.45435%0.347SS..Hα-helixtrans-92.8-17-174.7-75.4-73.7000115.1K61 L63 E75 H76K61-H79 HydrophobicContact CG-CB 4.24Å; L63-H79 HydrophobicContact CD2-CB 3.98Å; E75-H79 WeakPolarHBondContact O-CB 3.49Å; E75-H79 PolarHBondContact O-CD2 2.98Å; E75-H79 PolarHBondContact O-N 3.05Å; E75-H79 VanDerWaalsContact O-N 3.07Å; E75-H79 IonicContact OE2-CD2 2.76Å; E75-H79 PolarHBondContact OE2-CD2 3.29Å; E75-H79 IonicContact OE2-NE2 3.31Å; H76-H79 PolarHBondContact O-N 3.18Å
80S94.6Very high95.6Very high11 Ų1164.6 Ų64.68%0.07733%0.334CS..  trans-150.261.4178.4-157.60000112C59 H76 S82 C83C59-S80 PolarHBondContact SG-OG 3.09Å; H76-S80 CarbonylContact O-C 3.6Å; H76-S80 WeakPolarHBondContact O-CA 3.46Å; H76-S80 PolarHBondContact O-N 3.22Å; S80-S82 PolarHBondContact O-N 3.47Å; S80-C83 VanDerWaalsContact O-CB 3.26Å; S80-C83 WeakPolarHBondContact O-CB 3.32Å; S80-C83 PolarHBondContact O-N 3.27Å
81S92.8Very high95.2Very high106 Ų10669.4 Ų69.474%0.74135%0.353SS*.THydrogen-bonded Turntrans-57.3-19.3-178.860.90000115.2R77R77-S81 VanDerWaalsContact O-CA 3.29Å; R77-S81 WeakPolarHBondContact O-CA 3.26Å; R77-S81 WeakPolarHBondContact O-CB 3.29Å; R77-S81 PolarHBondContact O-N 3.35Å
82S91.8Very high94.9Very high67 Ų6768 Ų6847%0.46935%0.346SS..THydrogen-bonded Turntrans-92.83.2177.457.30000114.4S80 H84S80-S82 PolarHBondContact O-N 3.47Å; S82-H84 PolarHBondContact O-N 3.04Å; S82-H84 PolarHBondContact O-ND1 3.42Å
83C94.9Very high94.5Very high0 Ų073.7 Ų73.70%037%0.372CS..  trans-66.7120.4176.5-179.10000110.9C59 H76 S80 F85 I86 A87C59-C83 HydrophobicContact CB-CB 3.92Å; H76-C83 WeakPolarHBondContact NE2-CB 3.45Å; H76-C83 PolarHBondContact NE2-SG 3.47Å; S80-C83 VanDerWaalsContact O-CB 3.26Å; S80-C83 WeakPolarHBondContact O-CB 3.32Å; S80-C83 PolarHBondContact O-N 3.27Å; C83-F85 VanDerWaalsContact C-N 3.31Å; C83-F85 PolarHBondContact O-N 2.81Å; C83-I86 HydrophobicContact CB-CG2 3.91Å; C83-I86 WeakPolarHBondContact O-CG2 3.32Å; C83-A87 PolarHBondContact O-N 2.76Å
84H95.1Very high94.3Very high81 Ų8174.9 Ų74.938%0.37538%0.378SS..THydrogen-bonded Turntrans-75-23.3-176.6-70.960.1000112.6F58 S82 L88 L103 E106F58-H84 HydrophobicContact CE1-CB 3.79Å; F58-H84 HydrophobicContact CZ-CB 3.77Å; S82-H84 PolarHBondContact O-N 3.04Å; S82-H84 PolarHBondContact O-ND1 3.42Å; H84-L88 WeakPolarHBondContact O-CG 3.25Å; H84-L88 PolarHBondContact O-N 3.36Å; H84-L103 HydrophobicContact CB-CD1 4.16Å; H84-E106 HydrophobicContact CB-CB 4.39Å; H84-E106 IonicContact NE2-OE2 2.67Å
85F95.6Very high94.1Very high17 Ų1769.9 Ų69.98%0.07536%0.357CS..THydrogen-bonded Turntrans-66.7-50.6175.1179.5-94.7000111.7F57 F58 C83 A87 L88 V92F57-F85 AromaticContact CE1-CD1 3.99Å; F57-F85 HydrophobicContact CE1-CD1 3.99Å; F57-F85 AromaticContact CE1-CD2 3.57Å; F57-F85 HydrophobicContact CE1-CD2 3.57Å; F57-F85 AromaticContact CE1-CE1 3.99Å; F57-F85 HydrophobicContact CE1-CE1 3.99Å; F57-F85 AromaticContact CE1-CE2 3.53Å; F57-F85 HydrophobicContact CE1-CE2 3.53Å; F57-F85 AromaticContact CE1-CG 3.8Å; F57-F85 HydrophobicContact CE1-CG 3.8Å; F57-F85 AromaticContact CE1-CZ 3.76Å; F57-F85 HydrophobicContact CE1-CZ 3.76Å; F57-F85 AromaticContact CZ-CD2 3.47Å; F57-F85 HydrophobicContact CZ-CD2 3.47Å; F57-F85 VanDerWaalsContact CZ-CD2 3.47Å; F57-F85 AromaticContact CZ-CE2 3.58Å; F57-F85 HydrophobicContact CZ-CE2 3.58Å; F57-F85 HydrophobicContact CZ-CG 4.06Å; F57-F85 HydrophobicContact CZ-CZ 4.27Å; F58-F85 HydrophobicContact CB-CB 3.7Å; F58-F85 HydrophobicContact CB-CG 4.39Å; F58-F85 HydrophobicContact CD1-CB 4.21Å; F58-F85 HydrophobicContact CD2-CB 3.83Å; F58-F85 HydrophobicContact CE2-CB 4.5Å; F58-F85 HydrophobicContact CG-CB 3.64Å; C83-F85 VanDerWaalsContact C-N 3.31Å; C83-F85 PolarHBondContact O-N 2.81Å; F85-A87 PolarHBondContact O-N 2.67Å; F85-L88 HydrophobicContact CD2-CD1 3.94Å; F85-L88 HydrophobicContact CE2-CD1 4.35Å; F85-L88 VanDerWaalsContact O-CB 3.27Å; F85-L88 WeakPolarHBondContact O-CB 3.39Å; F85-L88 VanDerWaalsContact O-CG 3.31Å; F85-L88 WeakPolarHBondContact O-CG 3.31Å; F85-L88 PolarHBondContact O-N 3.16Å; F85-L88 VanDerWaalsContact O-N 3.08Å; F85-V92 HydrophobicContact CE2-CG2 3.89Å
86I94.7Very high94.1Very high13 Ų1370.9 Ų70.97%0.06737%0.367CS..THydrogen-bonded Turntrans-69.1-21.8-179.6-155.259000112A40 E73 H76 R77 C83 L88A40-I86 HydrophobicContact CB-CD1 4.4Å; E73-I86 HydrophobicContact CB-CD1 4.4Å; E73-I86 HydrophobicContact CG-CD1 3.9Å; E73-I86 HydrophobicContact CG-CG1 4.22Å; H76-I86 HydrophobicContact CB-CD1 4.47Å; H76-I86 HydrophobicContact CB-CG1 4.24Å; R77-I86 HydrophobicContact CG-CG1 3.95Å; R77-I86 HydrophobicContact CG-CG2 4.17Å; R77-I86 PolarHBondContact NH1-O 2.81Å; R77-I86 PolarHBondContact NH2-O 3.31Å; C83-I86 HydrophobicContact CB-CG2 3.91Å; C83-I86 WeakPolarHBondContact O-CG2 3.32Å; I86-L88 VanDerWaalsContact C-N 3.31Å
87A93.4Very high93.9Very high58 Ų5875.9 Ų75.948%0.47940%0.398SS..THydrogen-bonded Turntrans-82.5-3.6174.800000114C83 F85 K89C83-A87 PolarHBondContact O-N 2.76Å; F85-A87 PolarHBondContact O-N 2.67Å; A87-K89 PolarHBondContact O-N 3.48Å
88L93.3Very high93.8Very high56 Ų5677 Ų7729%0.29341%0.407SS..  trans-61.3136.6178.5-73.7173.2000111.3H84 F85 I86 V92 L103H84-L88 WeakPolarHBondContact O-CG 3.25Å; H84-L88 PolarHBondContact O-N 3.36Å; F85-L88 HydrophobicContact CD2-CD1 3.94Å; F85-L88 HydrophobicContact CE2-CD1 4.35Å; F85-L88 VanDerWaalsContact O-CB 3.27Å; F85-L88 WeakPolarHBondContact O-CB 3.39Å; F85-L88 VanDerWaalsContact O-CG 3.31Å; F85-L88 WeakPolarHBondContact O-CG 3.31Å; F85-L88 PolarHBondContact O-N 3.16Å; F85-L88 VanDerWaalsContact O-N 3.08Å; I86-L88 VanDerWaalsContact C-N 3.31Å; L88-V92 HydrophobicContact CD1-CG2 4.47Å; L88-L103 HydrophobicContact CD1-CD1 4.46Å; L88-L103 HydrophobicContact CD1-CD2 3.75Å; L88-L103 HydrophobicContact CD2-CD1 4.19Å; L88-L103 HydrophobicContact CD2-CD2 4.24Å
89K90.4Very high93.7Very high211 Ų21176.2 Ų76.292%0.91740%0.395SS*.SBendtrans-95.6-8.4174.7-60.9-175.6179.9-177.80113.3A87A87-K89 PolarHBondContact O-N 3.48Å
90K92.4Very high93.6Very high93 Ų9373.8 Ų73.840%0.40438%0.383SS..SBendtrans-125150.7-177.7-66.2179.5178.1178.90108.6E94 L95 E99K90-E94 HydrophobicContact CB-CB 4.4Å; K90-L95 HydrophobicContact CB-CD2 3.9Å; K90-L95 HydrophobicContact CD-CD2 4.04Å; K90-E99 IonicContact NZ-OE1 3.91Å; K90-E99 PolarHBondContact NZ-OE1 3.08Å; K90-E99 IonicContact NZ-OE2 2.81Å; K90-E99 PolarHBondContact NZ-OE2 3.39Å
91K90.3Very high93.5Very high138 Ų13878.4 Ų78.460%0.640%0.402SS*.  trans-67.4154.7168.5-59-179.4179.9173.60109.6E93 E94K91-E93 WeakPolarHBondContact CB-OE2 3.4Å; K91-E93 PolarHBondContact O-N 3.36Å; K91-E94 HydrophobicContact CB-CG 4.09Å; K91-E94 PolarHBondContact N-OE2 3.04Å; K91-E94 WeakPolarHBondContact O-CB 3.17Å; K91-E94 PolarHBondContact O-N 3.27Å
92V91.1Very high93.5Very high22 Ų2278.4 Ų78.413%0.13339%0.389CS..G310 helixtrans-59.2-38.1-178.9172.70000110.9Y12 F85 L88 E94 L95 F100Y12-V92 HydrophobicContact CD1-CG1 4.36Å; Y12-V92 HydrophobicContact CD1-CG2 4.4Å; F85-V92 HydrophobicContact CE2-CG2 3.89Å; L88-V92 HydrophobicContact CD1-CG2 4.47Å; V92-E94 PolarHBondContact O-N 3.25Å; V92-L95 WeakPolarHBondContact O-CB 3.28Å; V92-L95 WeakPolarHBondContact O-CG 3.36Å; V92-L95 PolarHBondContact O-N 3.28Å; V92-L95 VanDerWaalsContact O-N 3.16Å; V92-F100 HydrophobicContact CG1-CE2 4.47Å
93E89.9Confident93.5Very high125 Ų12575.8 Ų75.858%0.58437%0.369SS*.G310 helixtrans-68.3-16.9-179.5-5576.8-167.100112.8K91K91-E93 WeakPolarHBondContact CB-OE2 3.4Å; K91-E93 PolarHBondContact O-N 3.36Å
94E94.5Very high93.4Very high114 Ų11476.5 Ų76.553%0.53337%0.373SS..G310 helixtrans-96.5-2.3178.8-61.3167169.100112.4K90 K91 V92K90-E94 HydrophobicContact CB-CB 4.4Å; K91-E94 HydrophobicContact CB-CG 4.09Å; K91-E94 PolarHBondContact N-OE2 3.04Å; K91-E94 WeakPolarHBondContact O-CB 3.17Å; K91-E94 PolarHBondContact O-N 3.27Å; V92-E94 PolarHBondContact O-N 3.25Å
95L94.5Very high93.2Very high28 Ų2878.6 Ų78.615%0.14738%0.381CS..  trans-77.1139.1177.8-60.3-179.4000110.8K90 V92 E99 L103K90-L95 HydrophobicContact CB-CD2 3.9Å; K90-L95 HydrophobicContact CD-CD2 4.04Å; V92-L95 WeakPolarHBondContact O-CB 3.28Å; V92-L95 WeakPolarHBondContact O-CG 3.36Å; V92-L95 PolarHBondContact O-N 3.28Å; V92-L95 VanDerWaalsContact O-N 3.16Å; L95-E99 HydrophobicContact CB-CB 4.11Å; L95-E99 HydrophobicContact CD2-CB 4.13Å; L95-L103 HydrophobicContact CD1-CD2 3.87Å
96T96.8Very high93.1Very high75 Ų7579.5 Ų79.546%0.4639%0.385SS..  trans-65.9158.8162.561.20000110.4E98 E99 F100T96-E98 PolarHBondContact O-N 2.74Å; T96-E99 WeakPolarHBondContact CG2-OE2 3.49Å; T96-E99 PolarHBondContact N-OE2 3.44Å; T96-E99 PolarHBondContact O-N 3.45Å; T96-E99 VanDerWaalsContact O-N 3.11Å; T96-E99 WeakPolarHBondContact OG1-CB 3.35Å; T96-E99 VanDerWaalsContact OG1-CG 3.24Å; T96-E99 WeakPolarHBondContact OG1-CG 3.3Å; T96-E99 PolarHBondContact OG1-N 2.95Å; T96-E99 PolarHBondContact OG1-OE2 3Å; T96-F100 PolarHBondContact O-N 3.27Å
97V94.4Very high92.9Very high105 Ų10580.2 Ų80.264%0.63639%0.388SS*.Hα-helixtrans-55-38.6175175.80000111.6F100 F101V97-F100 PolarHBondContact O-N 3.21Å; V97-F101 HydrophobicContact CG1-CD2 3.67Å; V97-F101 HydrophobicContact CG1-CE2 3.42Å; V97-F101 VanDerWaalsContact CG1-CE2 3.42Å; V97-F101 WeakPolarHBondContact O-CD2 3.39Å; V97-F101 PolarHBondContact O-N 3Å
98E95.9Very high92.8Very high124 Ų12482.5 Ų82.558%0.57939%0.388SS*.Hα-helixtrans-66.2-45.1177.1-168.4-169.6160.600112.3T96 F100 F101 K102T96-E98 PolarHBondContact O-N 2.74Å; E98-F100 VanDerWaalsContact C-N 3.3Å; E98-F100 PolarHBondContact O-N 3.34Å; E98-F101 PolarHBondContact O-N 3.07Å; E98-K102 WeakPolarHBondContact O-CG 3.24Å; E98-K102 PolarHBondContact O-N 3.24Å; E98-K102 WeakPolarHBondContact OE1-CE 3.48Å; E98-K102 IonicContact OE1-NZ 3.55Å; E98-K102 PolarHBondContact OE1-NZ 3.42Å
99E95.1Very high92.7Very high58 Ų5885.2 Ų85.227%0.27140%0.398SS..Hα-helixtrans-61.5-40.3175.5-73.9167.3135.300111.4K90 L95 T96 K102 L103K90-E99 IonicContact NZ-OE1 3.91Å; K90-E99 PolarHBondContact NZ-OE1 3.08Å; K90-E99 IonicContact NZ-OE2 2.81Å; K90-E99 PolarHBondContact NZ-OE2 3.39Å; L95-E99 HydrophobicContact CB-CB 4.11Å; L95-E99 HydrophobicContact CD2-CB 4.13Å; T96-E99 WeakPolarHBondContact CG2-OE2 3.49Å; T96-E99 PolarHBondContact N-OE2 3.44Å; T96-E99 PolarHBondContact O-N 3.45Å; T96-E99 VanDerWaalsContact O-N 3.11Å; T96-E99 WeakPolarHBondContact OG1-CB 3.35Å; T96-E99 VanDerWaalsContact OG1-CG 3.24Å; T96-E99 WeakPolarHBondContact OG1-CG 3.3Å; T96-E99 PolarHBondContact OG1-N 2.95Å; T96-E99 PolarHBondContact OG1-OE2 3Å; E99-K102 WeakPolarHBondContact O-CB 3.4Å; E99-K102 PolarHBondContact O-N 3.45Å; E99-L103 WeakPolarHBondContact O-CB 3.46Å; E99-L103 PolarHBondContact O-N 2.89Å
100F93.5Very high92.6Very high48 Ų4877.1 Ų77.121%0.21136%0.363CS..Hα-helixtrans-62.1-47.5175.5-177.3-103000111.8I9 Y12 V92 T96 V97 E98 K102 L103 Q104I9-F100 HydrophobicContact CB-CZ 4.31Å; I9-F100 HydrophobicContact CG2-CE1 4.23Å; I9-F100 HydrophobicContact CG2-CZ 3.97Å; Y12-F100 HydrophobicContact CD1-CD2 4.48Å; Y12-F100 AromaticContact CD1-CE2 3.76Å; Y12-F100 HydrophobicContact CD1-CE2 3.76Å; Y12-F100 HydrophobicContact CD2-CE2 4.33Å; Y12-F100 HydrophobicContact CD2-CZ 4.45Å; Y12-F100 HydrophobicContact CE1-CE2 4.23Å; Y12-F100 AromaticContact CG-CE2 3.79Å; Y12-F100 HydrophobicContact CG-CE2 3.79Å; Y12-F100 HydrophobicContact CG-CZ 4.32Å; V92-F100 HydrophobicContact CG1-CE2 4.47Å; T96-F100 PolarHBondContact O-N 3.27Å; V97-F100 PolarHBondContact O-N 3.21Å; E98-F100 VanDerWaalsContact C-N 3.3Å; E98-F100 PolarHBondContact O-N 3.34Å; F100-K102 VanDerWaalsContact C-N 3.31Å; F100-K102 PolarHBondContact O-N 3.32Å; F100-L103 WeakPolarHBondContact O-CB 3.44Å; F100-L103 PolarHBondContact O-N 3.21Å; F100-L103 VanDerWaalsContact O-N 3.12Å; F100-Q104 HydrophobicContact CD1-CG 4.19Å; F100-Q104 HydrophobicContact CE1-CG 3.94Å; F100-Q104 VanDerWaalsContact CE2-NE2 3.33Å; F100-Q104 HydrophobicContact CZ-CG 4.28Å; F100-Q104 WeakPolarHBondContact O-CG 3.17Å; F100-Q104 PolarHBondContact O-N 3.35Å
101F92.6Very high92.4Very high107 Ų10774.5 Ų74.547%0.46935%0.354SS..Hα-helixtrans-63.4-35.5176.2-80-60.5000112.9L4 V97 E98 L103 Q104 K105L4-F101 HydrophobicContact CD1-CE1 4.42Å; L4-F101 HydrophobicContact CD2-CE1 4.24Å; V97-F101 HydrophobicContact CG1-CD2 3.67Å; V97-F101 HydrophobicContact CG1-CE2 3.42Å; V97-F101 VanDerWaalsContact CG1-CE2 3.42Å; V97-F101 WeakPolarHBondContact O-CD2 3.39Å; V97-F101 PolarHBondContact O-N 3Å; E98-F101 PolarHBondContact O-N 3.07Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-Q104 PolarHBondContact O-N 2.9Å; F101-K105 WeakPolarHBondContact O-CB 3.23Å; F101-K105 PolarHBondContact O-N 3.01Å
102K93.3Very high92.5Very high106 Ų10671.6 Ų71.646%0.46135%0.348SS..Hα-helixtrans-61.7-44.2171.9-74.6172.4-175.9165.80111.1E98 E99 F100 K105 E106E98-K102 WeakPolarHBondContact O-CG 3.24Å; E98-K102 PolarHBondContact O-N 3.24Å; E98-K102 WeakPolarHBondContact OE1-CE 3.48Å; E98-K102 IonicContact OE1-NZ 3.55Å; E98-K102 PolarHBondContact OE1-NZ 3.42Å; E99-K102 WeakPolarHBondContact O-CB 3.4Å; E99-K102 PolarHBondContact O-N 3.45Å; F100-K102 VanDerWaalsContact C-N 3.31Å; F100-K102 PolarHBondContact O-N 3.32Å; K102-K105 WeakPolarHBondContact O-CB 3.39Å; K102-K105 PolarHBondContact O-N 2.67Å; K102-E106 WeakPolarHBondContact O-CG 3.47Å; K102-E106 PolarHBondContact O-N 3.31Å
103L92.4Very high92.5Very high12 Ų1274.5 Ų74.56%0.06336%0.363CS..Hα-helixtrans-62.1-43.9177-178.261.3000112Y12 F58 H84 L88 L95 E99 F100 F101 K105 E106 K107Y12-L103 HydrophobicContact CD1-CD2 4.21Å; Y12-L103 HydrophobicContact CE1-CD2 3.63Å; Y12-L103 HydrophobicContact CE1-CG 3.98Å; F58-L103 HydrophobicContact CD2-CD1 4.42Å; F58-L103 HydrophobicContact CE2-CD1 3.43Å; F58-L103 VanDerWaalsContact CE2-CD1 3.43Å; F58-L103 HydrophobicContact CE2-CG 3.78Å; F58-L103 HydrophobicContact CZ-CD1 3.72Å; F58-L103 HydrophobicContact CZ-CG 4.44Å; H84-L103 HydrophobicContact CB-CD1 4.16Å; L88-L103 HydrophobicContact CD1-CD1 4.46Å; L88-L103 HydrophobicContact CD1-CD2 3.75Å; L88-L103 HydrophobicContact CD2-CD1 4.19Å; L88-L103 HydrophobicContact CD2-CD2 4.24Å; L95-L103 HydrophobicContact CD1-CD2 3.87Å; E99-L103 WeakPolarHBondContact O-CB 3.46Å; E99-L103 PolarHBondContact O-N 2.89Å; F100-L103 WeakPolarHBondContact O-CB 3.44Å; F100-L103 PolarHBondContact O-N 3.21Å; F100-L103 VanDerWaalsContact O-N 3.12Å; F101-L103 VanDerWaalsContact C-N 3.34Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3Å; L103-E106 PolarHBondContact O-N 3.32Å; L103-K107 PolarHBondContact O-N 3.09Å
104Q91.2Very high92.4Very high16 Ų1671.2 Ų71.28%0.07535%0.347CS..Hα-helixtrans-59.8-42.8173.8-65.2-59-1800112.3Y12 F100 F101 E106 K107 H108Y12-Q104 VanDerWaalsContact CZ-CD 3.44Å; Y12-Q104 PolarHBondContact OH-NE2 2.97Å; Y12-Q104 PolarHBondContact OH-OE1 2.76Å; F100-Q104 HydrophobicContact CD1-CG 4.19Å; F100-Q104 HydrophobicContact CE1-CG 3.94Å; F100-Q104 VanDerWaalsContact CE2-NE2 3.33Å; F100-Q104 HydrophobicContact CZ-CG 4.28Å; F100-Q104 WeakPolarHBondContact O-CG 3.17Å; F100-Q104 PolarHBondContact O-N 3.35Å; F101-Q104 PolarHBondContact O-N 2.9Å; Q104-E106 VanDerWaalsContact C-N 3.33Å; Q104-E106 PolarHBondContact O-N 2.86Å; Q104-K107 WeakPolarHBondContact O-CB 3.43Å; Q104-K107 PolarHBondContact O-N 3.46Å; Q104-H108 PolarHBondContact O-N 3.43Å
105K92.1Very high92.2Very high124 Ų12469.5 Ų69.554%0.53934%0.344SS..Hα-helixtrans-61.4-42.3177.3-173.7-152.171.3176.90111.1F101 K102 L103 H108 K109F101-K105 WeakPolarHBondContact O-CB 3.23Å; F101-K105 PolarHBondContact O-N 3.01Å; K102-K105 WeakPolarHBondContact O-CB 3.39Å; K102-K105 PolarHBondContact O-N 2.67Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3Å; K105-H108 PolarHBondContact O-N 2.83Å; K105-K109 WeakPolarHBondContact O-CB 2.95Å; K105-K109 PolarHBondContact O-N 3.49Å
106E92.6Very high92.3Very high37 Ų3769.8 Ų69.817%0.17335%0.354CS..Hα-helixtrans-67.7-36.6175.3-63.1-50.414000112.2F58 H84 K102 L103 Q104 K109 F110F58-E106 HydrophobicContact CZ-CB 4.5Å; H84-E106 HydrophobicContact CB-CB 4.39Å; H84-E106 IonicContact NE2-OE2 2.67Å; K102-E106 WeakPolarHBondContact O-CG 3.47Å; K102-E106 PolarHBondContact O-N 3.31Å; L103-E106 PolarHBondContact O-N 3.32Å; Q104-E106 VanDerWaalsContact C-N 3.33Å; Q104-E106 PolarHBondContact O-N 2.86Å; E106-K109 PolarHBondContact O-N 3.43Å; E106-K109 IonicContact OE2-NZ 3.25Å; E106-F110 VanDerWaalsContact O-CB 3.29Å; E106-F110 WeakPolarHBondContact O-CB 3.4Å; E106-F110 PolarHBondContact O-N 3.17Å
107K91.7Very high92.1Very high28 Ų2871.7 Ų71.712%0.12236%0.361CS..Hα-helixtrans-56.6-53.1170.9-173.9174.8165.2166.50110.8Y12 F57 F58 L103 Q104 K109 F110 V111Y12-K107 HydrophobicContact CE2-CD 4.31Å; Y12-K107 WeakPolarHBondContact OH-CD 3.29Å; F57-K107 VanDerWaalsContact O-CE 3.32Å; F57-K107 WeakPolarHBondContact O-CE 3.39Å; F57-K107 PolarHBondContact O-NZ 3.48Å; F58-K107 HydrophobicContact CD1-CG 4.45Å; F58-K107 HydrophobicContact CD2-CB 3.94Å; F58-K107 HydrophobicContact CD2-CD 3.97Å; F58-K107 HydrophobicContact CD2-CG 4Å; F58-K107 HydrophobicContact CE1-CB 4.05Å; F58-K107 HydrophobicContact CE1-CG 4.46Å; F58-K107 HydrophobicContact CE2-CB 3.44Å; F58-K107 VanDerWaalsContact CE2-CB 3.44Å; F58-K107 HydrophobicContact CE2-CD 4.3Å; F58-K107 HydrophobicContact CE2-CG 4.04Å; F58-K107 HydrophobicContact CG-CB 4.45Å; F58-K107 HydrophobicContact CG-CD 4.41Å; F58-K107 HydrophobicContact CG-CG 4.22Å; F58-K107 HydrophobicContact CZ-CB 3.5Å; F58-K107 VanDerWaalsContact CZ-CB 3.5Å; F58-K107 HydrophobicContact CZ-CG 4.27Å; F58-K107 VanDerWaalsContact CZ-N 3.32Å; L103-K107 PolarHBondContact O-N 3.09Å; Q104-K107 WeakPolarHBondContact O-CB 3.43Å; Q104-K107 PolarHBondContact O-N 3.46Å; K107-K109 PolarHBondContact O-N 3.15Å; K107-F110 WeakPolarHBondContact O-CB 3.37Å; K107-F110 PolarHBondContact O-N 3.14Å; K107-V111 HydrophobicContact CG-CG2 4.49Å; K107-V111 WeakPolarHBondContact O-CG2 3.25Å; K107-V111 PolarHBondContact O-N 2.96Å
108H90.5Very high92.1Very high105 Ų10570.9 Ų70.949%0.48635%0.35SS..Hα-helixtrans-60.7-46.7-177.1-173.275.7000111.3Q104 K105 F110 V111 V112Q104-H108 PolarHBondContact O-N 3.43Å; K105-H108 PolarHBondContact O-N 2.83Å; H108-F110 VanDerWaalsContact C-N 3.32Å; H108-F110 PolarHBondContact O-N 3.23Å; H108-V111 PolarHBondContact O-N 3.07Å; H108-V112 WeakPolarHBondContact O-CB 3.36Å; H108-V112 VanDerWaalsContact O-CG2 3.31Å; H108-V112 WeakPolarHBondContact O-CG2 3.43Å; H108-V112 PolarHBondContact O-N 2.87Å
109K91.5Very high92.1Very high113 Ų11367.7 Ų67.749%0.49135%0.345SS..Hα-helixtrans-57.9-44.8174.9179.6-177.2170.9-166.30111.7K105 E106 K107 N113K105-K109 WeakPolarHBondContact O-CB 2.95Å; K105-K109 PolarHBondContact O-N 3.49Å; E106-K109 PolarHBondContact O-N 3.43Å; E106-K109 IonicContact OE2-NZ 3.25Å; K107-K109 PolarHBondContact O-N 3.15Å; K109-N113 WeakPolarHBondContact O-CB 3.38Å; K109-N113 PolarHBondContact O-N 3.01Å; K109-N113 PolarHBondContact O-ND2 3.02Å
110F89.2Confident92.3Very high41 Ų4168.5 Ų68.518%0.1836%0.355CS..Hα-helixtrans-60.2-49.8178.4-175.3-81.5000111.4C59 E106 K107 H108 N113 K114C59-F110 HydrophobicContact CB-CD1 4.06Å; C59-F110 HydrophobicContact CB-CE1 3.54Å; C59-F110 HydrophobicContact CB-CE2 4.4Å; C59-F110 HydrophobicContact CB-CZ 3.72Å; C59-F110 WeakPolarHBondContact O-CE1 3.48Å; E106-F110 VanDerWaalsContact O-CB 3.29Å; E106-F110 WeakPolarHBondContact O-CB 3.4Å; E106-F110 PolarHBondContact O-N 3.17Å; K107-F110 WeakPolarHBondContact O-CB 3.37Å; K107-F110 PolarHBondContact O-N 3.14Å; H108-F110 VanDerWaalsContact C-N 3.32Å; H108-F110 PolarHBondContact O-N 3.23Å; F110-N113 PolarHBondContact O-N 3.2Å; F110-K114 HydrophobicContact CE1-CB 4.33Å; F110-K114 HydrophobicContact CE1-CD 3.94Å; F110-K114 WeakPolarHBondContact O-CB 3.49Å; F110-K114 PolarHBondContact O-N 2.77Å
111V87.6Confident92.5Very high38 Ų3868.8 Ų68.823%0.2337%0.366CS..Hα-helixtrans-61.8-47.9-180173.40000111.1L60 K107 H108 N113 K114 T115L60-V111 HydrophobicContact CD1-CG1 4.23Å; L60-V111 HydrophobicContact CD1-CG2 3.93Å; L60-V111 HydrophobicContact CG-CG2 4.35Å; K107-V111 HydrophobicContact CG-CG2 4.49Å; K107-V111 WeakPolarHBondContact O-CG2 3.25Å; K107-V111 PolarHBondContact O-N 2.96Å; H108-V111 PolarHBondContact O-N 3.07Å; V111-N113 VanDerWaalsContact C-N 3.33Å; V111-N113 PolarHBondContact O-N 2.83Å; V111-K114 PolarHBondContact O-N 3.37Å; V111-T115 WeakPolarHBondContact O-CB 3.49Å; V111-T115 PolarHBondContact O-N 2.75Å; V111-T115 PolarHBondContact O-OG1 2.95Å; V111-T115 VanDerWaalsContact O-OG1 3.13Å
112V91.9Very high92.7Very high77 Ų7771 Ų7147%0.46738%0.375SS..Hα-helixtrans-58.1-46.2178169.20000111.2H108 G116H108-V112 WeakPolarHBondContact O-CB 3.36Å; H108-V112 VanDerWaalsContact O-CG2 3.31Å; H108-V112 WeakPolarHBondContact O-CG2 3.43Å; H108-V112 PolarHBondContact O-N 2.87Å; V112-G116 PolarHBondContact O-N 3.48Å
113N91.6Very high92.9Very high84 Ų8473 Ų7345%0.44938%0.384SS..Hα-helixtrans-64.8-44.6178.8-71.6-15.8000111.9K109 F110 V111 G116 N117K109-N113 WeakPolarHBondContact O-CB 3.38Å; K109-N113 PolarHBondContact O-N 3.01Å; K109-N113 PolarHBondContact O-ND2 3.02Å; F110-N113 PolarHBondContact O-N 3.2Å; V111-N113 VanDerWaalsContact C-N 3.33Å; V111-N113 PolarHBondContact O-N 2.83Å; N113-G116 PolarHBondContact O-N 2.89Å; N113-N117 WeakPolarHBondContact O-CB 3.48Å; N113-N117 PolarHBondContact O-N 2.86Å; N113-N117 PolarHBondContact O-ND2 2.91Å; N113-N117 PolarHBondContact O-OD1 3.04Å
114K87.9Confident93.2Very high56 Ų5678.3 Ų78.324%0.24341%0.408CS..Hα-helixtrans-61.1-54.4179.2-179.9176.6176.9-175.60110.9C59 L60 F110 V111 G116 N117 E118C59-K114 PolarHBondContact O-NZ 3.4Å; L60-K114 PolarHBondContact O-NZ 3.07Å; F110-K114 HydrophobicContact CE1-CB 4.33Å; F110-K114 HydrophobicContact CE1-CD 3.94Å; F110-K114 WeakPolarHBondContact O-CB 3.49Å; F110-K114 PolarHBondContact O-N 2.77Å; V111-K114 PolarHBondContact O-N 3.37Å; K114-G116 VanDerWaalsContact C-N 3.32Å; K114-G116 PolarHBondContact O-N 2.9Å; K114-N117 PolarHBondContact O-N 2.89Å; K114-E118 WeakPolarHBondContact CE-OE1 3.12Å; K114-E118 WeakPolarHBondContact CG-OE1 3.28Å; K114-E118 WeakPolarHBondContact O-CB 3.23Å; K114-E118 WeakPolarHBondContact O-CG 3.45Å; K114-E118 PolarHBondContact O-N 3.32Å
115T90.3Very high93.6Very high77 Ų7781.4 Ų81.447%0.47242%0.423SS..Hα-helixtrans-62.9-38.6-179.9-570000111.9V111 A119V111-T115 WeakPolarHBondContact O-CB 3.49Å; V111-T115 PolarHBondContact O-N 2.75Å; V111-T115 PolarHBondContact O-OG1 2.95Å; V111-T115 VanDerWaalsContact O-OG1 3.13Å; T115-A119 VanDerWaalsContact O-CB 3.3Å; T115-A119 WeakPolarHBondContact O-CB 3.07Å; T115-A119 PolarHBondContact O-N 2.62Å
116G95.5Very high93.9Very high34 Ų3478.2 Ų78.235%0.35142%0.42SS..Hα-helixtrans-61.4-48.6174.800000112.3V112 N113 K114 A119 T120V112-G116 PolarHBondContact O-N 3.48Å; N113-G116 PolarHBondContact O-N 2.89Å; K114-G116 VanDerWaalsContact C-N 3.32Å; K114-G116 PolarHBondContact O-N 2.9Å; G116-A119 PolarHBondContact O-N 3.11Å; G116-T120 PolarHBondContact O-N 2.83Å; G116-T120 PolarHBondContact O-OG1 2.95Å
117N94.3Very high94.1Very high116 Ų11678.6 Ų78.662%0.6243%0.429SS*.Hα-helixtrans-63.3-43.2178.5-69.5-14.1000112.1N113 K114 T120 A121N113-N117 WeakPolarHBondContact O-CB 3.48Å; N113-N117 PolarHBondContact O-N 2.86Å; N113-N117 PolarHBondContact O-ND2 2.91Å; N113-N117 PolarHBondContact O-OD1 3.04Å; K114-N117 PolarHBondContact O-N 2.89Å; N117-T120 PolarHBondContact O-N 3.18Å; N117-A121 WeakPolarHBondContact O-CB 3.42Å; N117-A121 PolarHBondContact O-N 3.28Å
118E93.1Very high94.4Very high87 Ų8783.9 Ų83.941%0.40745%0.449SS..Hα-helixtrans-63-41.2176.5-73.9171.9-175.100112.1K114 A121 K122K114-E118 WeakPolarHBondContact CE-OE1 3.12Å; K114-E118 WeakPolarHBondContact CG-OE1 3.28Å; K114-E118 WeakPolarHBondContact O-CB 3.23Å; K114-E118 WeakPolarHBondContact O-CG 3.45Å; K114-E118 PolarHBondContact O-N 3.32Å; E118-A121 PolarHBondContact O-N 2.84Å; E118-K122 WeakPolarHBondContact O-CB 3.46Å; E118-K122 VanDerWaalsContact O-CG 3.31Å; E118-K122 WeakPolarHBondContact O-CG 3.17Å; E118-K122 PolarHBondContact O-N 3.3Å
119A96.7Very high94.8Very high57 Ų5782.9 Ų82.947%0.47145%0.446SS..Hα-helixtrans-64.7-43.1176.800000111.7T115 G116 K122 F123T115-A119 VanDerWaalsContact O-CB 3.3Å; T115-A119 WeakPolarHBondContact O-CB 3.07Å; T115-A119 PolarHBondContact O-N 2.62Å; G116-A119 PolarHBondContact O-N 3.11Å; A119-K122 PolarHBondContact O-N 3.24Å; A119-F123 PolarHBondContact O-N 3.48Å
120T98.2Very high95.1Very high76 Ų7684.1 Ų84.147%0.46645%0.448SS..Hα-helixtrans-61.1-49.3174.6-630000111.4G116 N117 K122 F123 E124G116-T120 PolarHBondContact O-N 2.83Å; G116-T120 PolarHBondContact O-OG1 2.95Å; N117-T120 PolarHBondContact O-N 3.18Å; T120-K122 VanDerWaalsContact C-N 3.33Å; T120-K122 PolarHBondContact O-N 3.02Å; T120-F123 WeakPolarHBondContact O-CB 3.36Å; T120-F123 PolarHBondContact O-N 2.93Å; T120-F123 VanDerWaalsContact O-N 3.1Å; T120-E124 HydrophobicContact CG2-CG 4.35Å; T120-E124 WeakPolarHBondContact O-CG 3.43Å; T120-E124 PolarHBondContact O-N 3.45Å
121A97.7Very high95.5Very high54 Ų5490.4 Ų90.445%0.44647%0.47SS..Hα-helixtrans-60.3-41.8-179.900000112.4N117 E118 F123 E124 E125N117-A121 WeakPolarHBondContact O-CB 3.42Å; N117-A121 PolarHBondContact O-N 3.28Å; E118-A121 PolarHBondContact O-N 2.84Å; A121-F123 VanDerWaalsContact C-N 3.34Å; A121-F123 PolarHBondContact O-N 3.07Å; A121-E124 PolarHBondContact O-N 3.46Å; A121-E125 PolarHBondContact O-N 3.42Å
122K97.6Very high95.9Very high152 Ų15291.1 Ų91.166%0.66148%0.48SS*.Hα-helixtrans-61.3-42.1174.5-75.9173.7-179.1174.80112.1E118 A119 T120 A126E118-K122 WeakPolarHBondContact O-CB 3.46Å; E118-K122 VanDerWaalsContact O-CG 3.31Å; E118-K122 WeakPolarHBondContact O-CG 3.17Å; E118-K122 PolarHBondContact O-N 3.3Å; A119-K122 PolarHBondContact O-N 3.24Å; T120-K122 VanDerWaalsContact C-N 3.33Å; T120-K122 PolarHBondContact O-N 3.02Å; K122-A126 WeakPolarHBondContact O-CB 3.47Å; K122-A126 PolarHBondContact O-N 3.16Å
123F98.3Very high96.2Very high150 Ų15092.2 Ų92.266%0.65848%0.481SS*.Hα-helixtrans-65-44.6177.3177.3-94.9000111.9A119 T120 A121 E125 A126 A127A119-F123 PolarHBondContact O-N 3.48Å; T120-F123 WeakPolarHBondContact O-CB 3.36Å; T120-F123 PolarHBondContact O-N 2.93Å; T120-F123 VanDerWaalsContact O-N 3.1Å; A121-F123 VanDerWaalsContact C-N 3.34Å; A121-F123 PolarHBondContact O-N 3.07Å; F123-E125 VanDerWaalsContact C-N 3.34Å; F123-E125 PolarHBondContact O-N 2.85Å; F123-A126 PolarHBondContact O-N 2.93Å; F123-A127 WeakPolarHBondContact O-CB 3.38Å; F123-A127 PolarHBondContact O-N 3.33Å
124E98.4Very high96.4Very high122 Ų12292.6 Ų92.657%0.5748%0.481SS*.Hα-helixtrans-60-43.5178-72.6174.5169.300111.8T120 A121 A127 R128T120-E124 HydrophobicContact CG2-CG 4.35Å; T120-E124 WeakPolarHBondContact O-CG 3.43Å; T120-E124 PolarHBondContact O-N 3.45Å; A121-E124 PolarHBondContact O-N 3.46Å; E124-A127 PolarHBondContact O-N 2.88Å; E124-R128 WeakPolarHBondContact O-CB 3.3Å; E124-R128 PolarHBondContact O-N 3.49Å
125E98.2Very high96.8Very high82 Ų8293.2 Ų93.238%0.38349%0.487SS..Hα-helixtrans-65.6-45176.4177.757.9-170.200112.1A121 F123 A127 R128 L129A121-E125 PolarHBondContact O-N 3.42Å; F123-E125 VanDerWaalsContact C-N 3.34Å; F123-E125 PolarHBondContact O-N 2.85Å; E125-A127 VanDerWaalsContact C-N 3.31Å; E125-A127 PolarHBondContact O-N 3.48Å; E125-R128 WeakPolarHBondContact O-CB 3.4Å; E125-R128 PolarHBondContact O-N 3.24Å; E125-R128 IonicContact OE1-CZ 3.48Å; E125-R128 IonicContact OE1-NE 3.88Å; E125-R128 IonicContact OE1-NH2 2.75Å; E125-R128 PolarHBondContact OE1-NH2 3.43Å; E125-R128 IonicContact OE2-CZ 2.67Å; E125-R128 IonicContact OE2-NE 3.51Å; E125-R128 PolarHBondContact OE2-NE 3.28Å; E125-R128 IonicContact OE2-NH2 3Å; E125-R128 PolarHBondContact OE2-NH2 2.97Å; E125-L129 HydrophobicContact CG-CD1 4.42Å; E125-L129 WeakPolarHBondContact O-CG 3.26Å; E125-L129 PolarHBondContact O-N 2.94Å
126A98.3Very high97Very high56 Ų5693.8 Ų93.846%0.46348%0.483SS..Hα-helixtrans-60.6-41.5175.800000111.8K122 F123 L129 R130K122-A126 WeakPolarHBondContact O-CB 3.47Å; K122-A126 PolarHBondContact O-N 3.16Å; F123-A126 PolarHBondContact O-N 2.93Å; A126-L129 PolarHBondContact O-N 2.88Å; A126-R130 WeakPolarHBondContact O-CB 3.47Å; A126-R130 PolarHBondContact O-N 2.97Å
127A98.5Very high97Very high46 Ų4697.4 Ų97.438%0.3850%0.498SS..Hα-helixtrans-64-40175.900000111.7F123 E124 E125 R130 R131F123-A127 WeakPolarHBondContact O-CB 3.38Å; F123-A127 PolarHBondContact O-N 3.33Å; E124-A127 PolarHBondContact O-N 2.88Å; E125-A127 VanDerWaalsContact C-N 3.31Å; E125-A127 PolarHBondContact O-N 3.48Å; A127-R130 PolarHBondContact O-N 2.89Å; A127-R131 VanDerWaalsContact O-CB 3.31Å; A127-R131 WeakPolarHBondContact O-CB 3.35Å; A127-R131 PolarHBondContact O-N 2.63Å
128R98.3Very high96.9Very high139 Ų13996 Ų9653%0.52550%0.503SS..Hα-helixtrans-61.5-49175.9-172.9-170.670.782.40.2111.7E124 E125 R131 A132E124-R128 WeakPolarHBondContact O-CB 3.3Å; E124-R128 PolarHBondContact O-N 3.49Å; E125-R128 WeakPolarHBondContact O-CB 3.4Å; E125-R128 PolarHBondContact O-N 3.24Å; E125-R128 IonicContact OE1-CZ 3.48Å; E125-R128 IonicContact OE1-NE 3.88Å; E125-R128 IonicContact OE1-NH2 2.75Å; E125-R128 PolarHBondContact OE1-NH2 3.43Å; E125-R128 IonicContact OE2-CZ 2.67Å; E125-R128 IonicContact OE2-NE 3.51Å; E125-R128 PolarHBondContact OE2-NE 3.28Å; E125-R128 IonicContact OE2-NH2 3Å; E125-R128 PolarHBondContact OE2-NH2 2.97Å; R128-R131 PolarHBondContact O-N 2.8Å; R128-A132 PolarHBondContact O-N 3.39Å; R128-A132 VanDerWaalsContact O-N 3.08Å
129L97.9Very high96.9Very high83 Ų8397.6 Ų97.644%0.43551%0.512SS..Hα-helixtrans-61.3-47.9177.8-68.3173.4000111E125 A126 R131 A132 E133E125-L129 HydrophobicContact CG-CD1 4.42Å; E125-L129 WeakPolarHBondContact O-CG 3.26Å; E125-L129 PolarHBondContact O-N 2.94Å; A126-L129 PolarHBondContact O-N 2.88Å; L129-R131 VanDerWaalsContact C-N 3.3Å; L129-R131 PolarHBondContact O-N 3.34Å; L129-A132 WeakPolarHBondContact O-CB 3.19Å; L129-A132 PolarHBondContact O-N 2.75Å; L129-E133 PolarHBondContact O-N 3.13Å
130R97.6Very high96.3Very high140 Ų14098 Ų9853%0.52852%0.521SS..Hα-helixtrans-61.7-38.8179.1-176.456.3-176.7154.93.3112.4A126 A127 A132 E133 I134A126-R130 WeakPolarHBondContact O-CB 3.47Å; A126-R130 PolarHBondContact O-N 2.97Å; A127-R130 PolarHBondContact O-N 2.89Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-E133 WeakPolarHBondContact CD-OE2 3.37Å; R130-E133 IonicContact CZ-OE2 2.66Å; R130-E133 IonicContact NH1-OE2 3.82Å; R130-E133 PolarHBondContact NH1-OE2 2.76Å; R130-E133 PolarHBondContact O-N 3.47Å; R130-I134 HydrophobicContact CG-CD1 4.08Å; R130-I134 VanDerWaalsContact O-CG1 3.31Å; R130-I134 WeakPolarHBondContact O-CG1 3.39Å; R130-I134 PolarHBondContact O-N 3.49Å; R130-I134 VanDerWaalsContact O-N 3.08Å
131R97.5Very high95.1Very high172 Ų17299.4 Ų99.465%0.64952%0.522SS*.Hα-helixtrans-61.8-41.8174.5-176.6-179.3-178.4-83.2-1.9111.5A127 R128 L129 I134 I135A127-R131 VanDerWaalsContact O-CB 3.31Å; A127-R131 WeakPolarHBondContact O-CB 3.35Å; A127-R131 PolarHBondContact O-N 2.63Å; R128-R131 PolarHBondContact O-N 2.8Å; L129-R131 VanDerWaalsContact C-N 3.3Å; L129-R131 PolarHBondContact O-N 3.34Å; R131-I134 PolarHBondContact O-N 3.17Å; R131-I135 HydrophobicContact CG-CD1 4.12Å; R131-I135 WeakPolarHBondContact O-CG1 3Å; R131-I135 PolarHBondContact O-N 3.17Å; R131-I135 VanDerWaalsContact O-N 3.14Å
132A96.9Very high93.4Very high54 Ų54108.4 Ų108.445%0.44656%0.555SS.*Hα-helixtrans-63.2-43.2178.200000111.8R128 L129 R130 I135 K136R128-A132 PolarHBondContact O-N 3.39Å; R128-A132 VanDerWaalsContact O-N 3.08Å; L129-A132 WeakPolarHBondContact O-CB 3.19Å; L129-A132 PolarHBondContact O-N 2.75Å; R130-A132 VanDerWaalsContact C-N 3.33Å; A132-I135 PolarHBondContact O-N 3.17Å; A132-K136 PolarHBondContact O-N 3.41Å
133E96.5Very high93.1Very high100 Ų100106.2 Ų106.247%0.46755%0.549SS..Hα-helixtrans-59.7-47.8175.2-67.9172178.600112.3L129 R130 I135 K136 T137L129-E133 PolarHBondContact O-N 3.13Å; R130-E133 WeakPolarHBondContact CD-OE2 3.37Å; R130-E133 IonicContact CZ-OE2 2.66Å; R130-E133 IonicContact NH1-OE2 3.82Å; R130-E133 PolarHBondContact NH1-OE2 2.76Å; R130-E133 PolarHBondContact O-N 3.47Å; E133-I135 VanDerWaalsContact C-N 3.27Å; E133-I135 PolarHBondContact O-N 3.43Å; E133-K136 PolarHBondContact O-N 2.85Å; E133-T137 PolarHBondContact O-N 3.27Å; E133-T137 PolarHBondContact O-OG1 3.05Å; E133-T137 VanDerWaalsContact O-OG1 3.11Å
134I96.5Very high92.9Very high91 Ų91103.9 Ų103.947%0.46754%0.544SS..Hα-helixtrans-59-41.5179.8-69.8166.5000110.9R130 R131 A138R130-I134 HydrophobicContact CG-CD1 4.08Å; R130-I134 VanDerWaalsContact O-CG1 3.31Å; R130-I134 WeakPolarHBondContact O-CG1 3.39Å; R130-I134 PolarHBondContact O-N 3.49Å; R130-I134 VanDerWaalsContact O-N 3.08Å; R131-I134 PolarHBondContact O-N 3.17Å; I134-A138 WeakPolarHBondContact O-CB 3.44Å; I134-A138 PolarHBondContact O-N 3.17Å
135I95.8Very high92.6Very high69 Ų69102.9 Ų102.935%0.35454%0.542SS..Hα-helixtrans-64.3-47.2177.2-69.4167.9000110.5R131 A132 E133 T137 A138 M139R131-I135 HydrophobicContact CG-CD1 4.12Å; R131-I135 WeakPolarHBondContact O-CG1 3Å; R131-I135 PolarHBondContact O-N 3.17Å; R131-I135 VanDerWaalsContact O-N 3.14Å; A132-I135 PolarHBondContact O-N 3.17Å; E133-I135 VanDerWaalsContact C-N 3.27Å; E133-I135 PolarHBondContact O-N 3.43Å; I135-T137 VanDerWaalsContact C-N 3.35Å; I135-T137 PolarHBondContact O-N 3.35Å; I135-A138 PolarHBondContact O-N 3.08Å; I135-A138 VanDerWaalsContact O-N 3.15Å; I135-M139 HydrophobicContact CG2-CG 4.47Å; I135-M139 HydrophobicContact CG2-SD 3.78Å; I135-M139 WeakPolarHBondContact O-CG 3.02Å; I135-M139 PolarHBondContact O-N 3.28Å
136K95.3Very high92.2Very high90 Ų90104.1 Ų104.139%0.39155%0.552SS.*Hα-helixtrans-57.4-48.1179.1-161.1-159.8178.1-155.70111.4A132 E133 A138 M139 G140 E141 E142A132-K136 PolarHBondContact O-N 3.41Å; E133-K136 PolarHBondContact O-N 2.85Å; K136-A138 PolarHBondContact O-N 2.85Å; K136-M139 PolarHBondContact O-N 2.81Å; K136-G140 PolarHBondContact O-N 2.7Å; K136-E141 WeakPolarHBondContact CD-O 3.33Å; K136-E141 WeakPolarHBondContact CE-O 3.48Å; K136-E141 HydrophobicContact CG-CB 3.83Å; K136-E141 VanDerWaalsContact CG-O 3.28Å; K136-E141 WeakPolarHBondContact CG-O 3.47Å; K136-E141 PolarHBondContact O-N 2.9Å; K136-E142 PolarHBondContact NZ-O 3.01Å; K136-E142 PolarHBondContact NZ-OXT 3.07Å
137T94.8Very high91.9Very high110 Ų110107.1 Ų107.168%0.67556%0.557SS**Hα-helixtrans-60.7-42.7175.9-560000112.1E133 I135 M139 G140E133-T137 PolarHBondContact O-N 3.27Å; E133-T137 PolarHBondContact O-OG1 3.05Å; E133-T137 VanDerWaalsContact O-OG1 3.11Å; I135-T137 VanDerWaalsContact C-N 3.35Å; I135-T137 PolarHBondContact O-N 3.35Å; T137-M139 PolarHBondContact O-N 2.81Å; T137-G140 PolarHBondContact O-N 3.05Å
138A92.9Very high91.4Very high86 Ų86111.2 Ų111.271%0.71157%0.569SS**Hα-helixtrans-66.3-26.1179.100000113.2I134 I135 K136 G140I134-A138 WeakPolarHBondContact O-CB 3.44Å; I134-A138 PolarHBondContact O-N 3.17Å; I135-A138 PolarHBondContact O-N 3.08Å; I135-A138 VanDerWaalsContact O-N 3.15Å; K136-A138 PolarHBondContact O-N 2.85Å; A138-G140 VanDerWaalsContact C-N 3.33Å
139M92.4Very high90.9Very high121 Ų121109.2 Ų109.260%0.59657%0.572SS**THydrogen-bonded Turntrans-85.2-3177.5-68.7178.558.500113.6I135 K136 T137 E141I135-M139 HydrophobicContact CG2-CG 4.47Å; I135-M139 HydrophobicContact CG2-SD 3.78Å; I135-M139 WeakPolarHBondContact O-CG 3.02Å; I135-M139 PolarHBondContact O-N 3.28Å; K136-M139 PolarHBondContact O-N 2.81Å; T137-M139 PolarHBondContact O-N 2.81Å; M139-E141 HydrophobicContact CB-CG 4.29Å; M139-E141 PolarHBondContact O-N 3.44Å
140G85.8Confident90.4Very high64 Ų64111.2 Ų111.266%0.6658%0.583SS**THydrogen-bonded Turntrans71.817.8-178.500000113.6K136 T137 A138 E142K136-G140 PolarHBondContact O-N 2.7Å; T137-G140 PolarHBondContact O-N 3.05Å; A138-G140 VanDerWaalsContact C-N 3.33Å; G140-E142 PolarHBondContact O-N 3.07Å
141E72.3Confident89.8Confident106 Ų106108.8 Ų108.850%0.49559%0.587SS.*  trans-89.293174.6-65.4176.6179.900107.7K136 M139K136-E141 WeakPolarHBondContact CD-O 3.33Å; K136-E141 WeakPolarHBondContact CE-O 3.48Å; K136-E141 HydrophobicContact CG-CB 3.83Å; K136-E141 VanDerWaalsContact CG-O 3.28Å; K136-E141 WeakPolarHBondContact CG-O 3.47Å; K136-E141 PolarHBondContact O-N 2.9Å; M139-E141 HydrophobicContact CB-CG 4.29Å; M139-E141 PolarHBondContact O-N 3.44Å
142E60.8Low89.1Confident243 Ų243103.1 Ų103.1100%1.13658%0.582SS**  trans-71.10171.7-74.8-175.216600111.8K136 G140K136-E142 PolarHBondContact NZ-O 3.01Å; K136-E142 PolarHBondContact NZ-OXT 3.07Å; G140-E142 PolarHBondContact O-N 3.07Å

Retrieved 142 of 142 residues in 44.2 ms (Link to these results)

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