A0A087XZ31_POEFO Loading...

N-terminal amino-acid N(alpha)-acetyltransferase NatA

AlphaFold DB , UniProt , Accession A0A087XZ31, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 217 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M91.1Very high97.7Very high101 Ų10161.7 Ų61.750%0.49830%0.304SS..  0112.50-63.1-59.2149.300107.9E46 D47 V53 H81 L86M1-E46 CarbonylContact C-O 3.58Å; M1-E46 VanDerWaalsContact CA-O 3.23Å; M1-E46 WeakPolarHBondContact CA-O 3.3Å; M1-D47 HydrophobicContact CE-CB 3.81Å; M1-D47 HydrophobicContact SD-CB 3.91Å; M1-V53 HydrophobicContact SD-CG2 3.75Å; M1-H81 WeakPolarHBondContact CE-CD2 3.2Å; M1-H81 WeakPolarHBondContact CE-NE2 3.45Å; M1-L86 HydrophobicContact CB-CD2 3.99Å; M1-L86 HydrophobicContact CG-CD1 4.48Å; M1-L86 HydrophobicContact CG-CD2 4.37Å
2N97.2Very high97.7Very high83 Ų8366.8 Ų66.844%0.44433%0.329SS..EExtended strand (participates in β ladder)trans-86.1135.2176.9-176.632.5000109A45 E46N2-A45 CarbonylContact O-C 3.54Å; N2-A45 VanDerWaalsContact O-CA 3.28Å; N2-A45 WeakPolarHBondContact O-CA 3.48Å; N2-E46 HydrophobicContact CB-CG 3.8Å; N2-E46 PolarHBondContact N-O 3.16Å; N2-E46 PolarHBondContact ND2-OE1 3.35Å; N2-E46 PolarHBondContact O-N 3Å
3I98.6Very high97.8Very high44 Ų4468.2 Ų68.223%0.22634%0.339CS..EExtended strand (participates in β ladder)trans-116.2123173.5-64.8178000107.4Y43 I44 A45 L86 K89 L90 Q93I3-Y43 HydrophobicContact CG2-CD1 4.37Å; I3-I44 WeakPolarHBondContact CA-O 3.14Å; I3-A45 HydrophobicContact CG1-CB 4.13Å; I3-L86 HydrophobicContact CD1-CD2 4.23Å; I3-K89 HydrophobicContact CD1-CB 3.37Å; I3-K89 HydrophobicContact CD1-CD 3.79Å; I3-K89 HydrophobicContact CD1-CG 4.23Å; I3-L90 HydrophobicContact CG2-CD2 4.04Å; I3-Q93 HydrophobicContact CG2-CG 4.29Å
4R98.6Very high97.8Very high51 Ų5163.4 Ų63.419%0.19232%0.315CS..EExtended strand (participates in β ladder)trans-146161-178.361.1174.4179.879.8-2111.1D10 Y43 I44 E46R4-D10 IonicContact CZ-OD1 3.31Å; R4-D10 IonicContact CZ-OD2 3.38Å; R4-D10 IonicContact NH1-OD1 3.59Å; R4-D10 IonicContact NH1-OD2 3.19Å; R4-D10 PolarHBondContact NH1-OD2 2.98Å; R4-D10 IonicContact NH2-OD1 2.72Å; R4-D10 PolarHBondContact NH2-OD1 3.17Å; R4-D10 IonicContact NH2-OD2 2.84Å; R4-Y43 WeakPolarHBondContact O-CA 3.43Å; R4-Y43 WeakPolarHBondContact O-CD1 3.46Å; R4-I44 HydrophobicContact CG-CD1 4.36Å; R4-I44 HydrophobicContact CG-CG1 3.97Å; R4-I44 PolarHBondContact N-O 3.37Å; R4-I44 VanDerWaalsContact N-O 3.15Å; R4-I44 PolarHBondContact O-N 3.18Å; R4-E46 IonicContact CZ-OE1 3.01Å; R4-E46 IonicContact CZ-OE2 3.64Å; R4-E46 VanDerWaalsContact NE-CD 3.33Å; R4-E46 IonicContact NE-OE1 2.62Å; R4-E46 PolarHBondContact NE-OE1 3.08Å; R4-E46 IonicContact NE-OE2 2.72Å; R4-E46 PolarHBondContact NE-OE2 2.88Å; R4-E46 VanDerWaalsContact NE-OE2 3.13Å; R4-E46 IonicContact NH2-OE2 2.83Å; R4-E46 PolarHBondContact NH2-OE2 3.34Å
5N98.8Very high97.9Very high58 Ų5862.3 Ų62.331%0.3131%0.308SS..EExtended strand (participates in β ladder)trans-60.8140.6171.9175.5-113000109.8P39 Q40 S42 Y43N5-P39 PolarHBondContact ND2-O 3.12Å; N5-P39 PolarHBondContact OD1-O 3.32Å; N5-Q40 PolarHBondContact ND2-O 3.22Å; N5-S42 PolarHBondContact ND2-O 2.8Å; N5-Y43 HydrophobicContact CB-CD1 4.3Å; N5-Y43 HydrophobicContact CB-CE1 3.95Å
6A98.7Very high97.9Very high10 Ų1064.4 Ų64.48%0.08332%0.317CS..  trans-76.6138.1-178.300000110.3M14 S42 I44A6-M14 HydrophobicContact CB-SD 3.83Å; A6-S42 WeakPolarHBondContact CB-O 3.21Å; A6-S42 PolarHBondContact N-O 2.87Å; A6-I44 HydrophobicContact CB-CG2 3.92Å
7R98.4Very high97.9Very high123 Ų12360.6 Ų60.646%0.46430%0.298SS..  trans-106162.6174.4-61.9-176.9-66.5-168.4-0.2110.2E9 D10R7-E9 HydrophobicContact CB-CG 3.84Å; R7-E9 IonicContact CZ-OE1 3.6Å; R7-E9 IonicContact NE-OE1 3.3Å; R7-E9 PolarHBondContact NE-OE1 3.37Å; R7-E9 IonicContact NH1-OE1 3.91Å; R7-E9 IonicContact NH2-OE1 3.59Å; R7-E9 PolarHBondContact NH2-OE1 3.05Å; R7-E9 PolarHBondContact O-N 2.85Å; R7-E9 VanDerWaalsContact O-N 3.12Å; R7-D10 WeakPolarHBondContact CB-OD2 3.46Å; R7-D10 PolarHBondContact N-OD2 2.82Å; R7-D10 WeakPolarHBondContact O-CB 3.35Å; R7-D10 PolarHBondContact O-N 3.34Å
8P97.9Very high98Very high79 Ų7957.2 Ų57.251%0.51328%0.282SS..G310 helixtrans-52.8-35176.7-29.736.9000114.2D10 L11P8-D10 VanDerWaalsContact C-N 3.25Å; P8-D10 PolarHBondContact O-N 3.18Å; P8-L11 WeakPolarHBondContact O-CB 3.48Å; P8-L11 WeakPolarHBondContact O-CG 3.23Å; P8-L11 PolarHBondContact O-N 2.97Å
9E98Very high98Very high118 Ų11859.5 Ų59.555%0.55129%0.294SS*.G310 helixtrans-66-21.4175.457.8-178.5-134.700114.4R7R7-E9 HydrophobicContact CB-CG 3.84Å; R7-E9 IonicContact CZ-OE1 3.6Å; R7-E9 IonicContact NE-OE1 3.3Å; R7-E9 PolarHBondContact NE-OE1 3.37Å; R7-E9 IonicContact NH1-OE1 3.91Å; R7-E9 IonicContact NH2-OE1 3.59Å; R7-E9 PolarHBondContact NH2-OE1 3.05Å; R7-E9 PolarHBondContact O-N 2.85Å; R7-E9 VanDerWaalsContact O-N 3.12Å
10D98.6Very high98Very high8 Ų862 Ų624%0.04331%0.308CS..G310 helixtrans-82.5-18.7178.8-61.2-57000112.4R4 R7 P8 M12 N13 M14 I44 I52R4-D10 IonicContact CZ-OD1 3.31Å; R4-D10 IonicContact CZ-OD2 3.38Å; R4-D10 IonicContact NH1-OD1 3.59Å; R4-D10 IonicContact NH1-OD2 3.19Å; R4-D10 PolarHBondContact NH1-OD2 2.98Å; R4-D10 IonicContact NH2-OD1 2.72Å; R4-D10 PolarHBondContact NH2-OD1 3.17Å; R4-D10 IonicContact NH2-OD2 2.84Å; R7-D10 WeakPolarHBondContact CB-OD2 3.46Å; R7-D10 PolarHBondContact N-OD2 2.82Å; R7-D10 WeakPolarHBondContact O-CB 3.35Å; R7-D10 PolarHBondContact O-N 3.34Å; P8-D10 VanDerWaalsContact C-N 3.25Å; P8-D10 PolarHBondContact O-N 3.18Å; D10-M12 VanDerWaalsContact C-N 3.33Å; D10-M12 PolarHBondContact O-N 3.43Å; D10-N13 CarbonylContact O-C 3.55Å; D10-N13 WeakPolarHBondContact O-CA 3.48Å; D10-N13 WeakPolarHBondContact O-CB 3.27Å; D10-N13 PolarHBondContact O-N 2.93Å; D10-M14 WeakPolarHBondContact O-CG 3.41Å; D10-M14 PolarHBondContact O-N 3.07Å; D10-I44 HydrophobicContact CB-CD1 4.23Å; D10-I44 HydrophobicContact CB-CG2 4.47Å; D10-I52 HydrophobicContact CB-CD1 4.15Å
11L98.4Very high97.9Very high4 Ų460.3 Ų60.32%0.02130%0.302CS..Hα-helixtrans-61.5-38.2-169-63.1179.1000113P8 N13 M14 Q15 M28 F32P8-L11 WeakPolarHBondContact O-CB 3.48Å; P8-L11 WeakPolarHBondContact O-CG 3.23Å; P8-L11 PolarHBondContact O-N 2.97Å; L11-N13 VanDerWaalsContact C-N 3.32Å; L11-N13 PolarHBondContact O-N 3.27Å; L11-M14 HydrophobicContact CD2-SD 3.89Å; L11-M14 WeakPolarHBondContact O-CB 3.4Å; L11-M14 PolarHBondContact O-N 3.43Å; L11-Q15 PolarHBondContact O-N 3.25Å; L11-M28 HydrophobicContact CB-SD 4.36Å; L11-F32 HydrophobicContact CD1-CD1 3.51Å; L11-F32 HydrophobicContact CD1-CE1 3.86Å; L11-F32 HydrophobicContact CD1-CG 4.36Å
12M98.3Very high98.1Very high123 Ų12357.6 Ų57.661%0.60629%0.289SS*.Hα-helixtrans-62-41173.9-72.6-172.1-79.500112D10 Q15 H16 M28D10-M12 VanDerWaalsContact C-N 3.33Å; D10-M12 PolarHBondContact O-N 3.43Å; M12-Q15 PolarHBondContact O-N 3Å; M12-H16 PolarHBondContact O-N 2.91Å; M12-M28 HydrophobicContact CB-CE 4.32Å; M12-M28 HydrophobicContact CG-CE 3.8Å; M12-M28 HydrophobicContact CG-SD 4.2Å
13N98.6Very high98Very high85 Ų8558.1 Ų58.146%0.45530%0.297SS..Hα-helixtrans-73.4-29.4178.3-70.3-42.5000112.2D10 L11 C17 I52D10-N13 CarbonylContact O-C 3.55Å; D10-N13 WeakPolarHBondContact O-CA 3.48Å; D10-N13 WeakPolarHBondContact O-CB 3.27Å; D10-N13 PolarHBondContact O-N 2.93Å; L11-N13 VanDerWaalsContact C-N 3.32Å; L11-N13 PolarHBondContact O-N 3.27Å; N13-C17 WeakPolarHBondContact O-CB 3.27Å; N13-C17 PolarHBondContact O-N 2.97Å; N13-I52 HydrophobicContact CB-CB 4.48Å; N13-I52 HydrophobicContact CB-CD1 3.47Å; N13-I52 VanDerWaalsContact CB-CD1 3.47Å; N13-I52 HydrophobicContact CB-CG1 3.97Å
14M98.7Very high97.9Very high0 Ų058.6 Ų58.60%030%0.299CS..Hα-helixtrans-65.7-46.5170.4-69.3171.66300111A6 D10 L11 H16 C17 N18 Y31 I44 I52 Y55 L57A6-M14 HydrophobicContact CB-SD 3.83Å; D10-M14 WeakPolarHBondContact O-CG 3.41Å; D10-M14 PolarHBondContact O-N 3.07Å; L11-M14 HydrophobicContact CD2-SD 3.89Å; L11-M14 WeakPolarHBondContact O-CB 3.4Å; L11-M14 PolarHBondContact O-N 3.43Å; M14-H16 VanDerWaalsContact C-N 3.34Å; M14-H16 PolarHBondContact O-N 3.4Å; M14-C17 WeakPolarHBondContact O-CB 3.23Å; M14-C17 PolarHBondContact O-N 3.33Å; M14-C17 VanDerWaalsContact O-N 3.1Å; M14-N18 PolarHBondContact O-N 3.05Å; M14-Y31 HydrophobicContact CB-CD1 4.38Å; M14-Y31 HydrophobicContact CB-CE1 4.13Å; M14-I44 HydrophobicContact CG-CG2 3.78Å; M14-I44 HydrophobicContact SD-CG2 3.79Å; M14-I52 HydrophobicContact CG-CD1 3.97Å; M14-Y55 HydrophobicContact CB-CD2 4.5Å; M14-Y55 HydrophobicContact CB-CG 4.28Å; M14-Y55 HydrophobicContact CE-CD2 3.69Å; M14-Y55 HydrophobicContact CE-CG 4.16Å; M14-Y55 HydrophobicContact CG-CG 4.21Å; M14-L57 HydrophobicContact CE-CB 4.18Å; M14-L57 HydrophobicContact CE-CD1 3.78Å
15Q98.6Very high97.8Very high47 Ų4759.6 Ų59.622%0.2231%0.308CS..Hα-helixtrans-59.8-44.9175-171.8-168.452.900111.3L11 M12 C17 N18 L19 Y26 M28 Y31L11-Q15 PolarHBondContact O-N 3.25Å; M12-Q15 PolarHBondContact O-N 3Å; Q15-C17 VanDerWaalsContact C-N 3.25Å; Q15-C17 PolarHBondContact O-N 3.23Å; Q15-N18 WeakPolarHBondContact O-CB 3.31Å; Q15-N18 PolarHBondContact O-N 2.9Å; Q15-N18 VanDerWaalsContact O-N 3.12Å; Q15-L19 HydrophobicContact CG-CD1 4.19Å; Q15-L19 PolarHBondContact O-N 2.81Å; Q15-Y26 PolarHBondContact NE2-O 3.04Å; Q15-M28 HydrophobicContact CB-CE 3.82Å; Q15-M28 VanDerWaalsContact CD-CE 3.41Å; Q15-M28 HydrophobicContact CG-CE 4.21Å; Q15-Y31 HydrophobicContact CB-CD2 4.26Å; Q15-Y31 HydrophobicContact CB-CE1 4.36Å; Q15-Y31 HydrophobicContact CB-CE2 3.8Å; Q15-Y31 HydrophobicContact CG-CD2 4.38Å; Q15-Y31 HydrophobicContact CG-CE2 3.73Å
16H98.4Very high97.8Very high96 Ų9660.1 Ų60.144%0.44431%0.306SS..Hα-helixtrans-59.3-38.3175.2-179.869.4000112.2M12 M14 L20M12-H16 PolarHBondContact O-N 2.91Å; M14-H16 VanDerWaalsContact C-N 3.34Å; M14-H16 PolarHBondContact O-N 3.4Å; H16-L20 WeakPolarHBondContact NE2-CD1 3.41Å; H16-L20 WeakPolarHBondContact O-CG 3.43Å; H16-L20 PolarHBondContact O-N 3.49Å
17C98.3Very high97.7Very high0 Ų066.7 Ų66.70%034%0.335CS..Hα-helixtrans-66.9-39.4175.1-165.40000112.5N13 M14 Q15 L20 C21 I52 Y55N13-C17 WeakPolarHBondContact O-CB 3.27Å; N13-C17 PolarHBondContact O-N 2.97Å; M14-C17 WeakPolarHBondContact O-CB 3.23Å; M14-C17 PolarHBondContact O-N 3.33Å; M14-C17 VanDerWaalsContact O-N 3.1Å; Q15-C17 VanDerWaalsContact C-N 3.25Å; Q15-C17 PolarHBondContact O-N 3.23Å; C17-L20 PolarHBondContact O-N 3.23Å; C17-C21 WeakPolarHBondContact O-CB 3.49Å; C17-C21 PolarHBondContact O-N 3.15Å; C17-C21 PolarHBondContact O-SG 3.32Å; C17-I52 HydrophobicContact CB-CG2 4.31Å; C17-Y55 HydrophobicContact CB-CD1 3.82Å; C17-Y55 HydrophobicContact CB-CE1 3.95Å
18N98.5Very high97.7Very high0 Ų062.8 Ų62.80%032%0.323CS..Hα-helixtrans-58.9-53.9176175-115.1000111.2M14 Q15 L20 C21 L22 E24 N25 Y31 Y55M14-N18 PolarHBondContact O-N 3.05Å; Q15-N18 WeakPolarHBondContact O-CB 3.31Å; Q15-N18 PolarHBondContact O-N 2.9Å; Q15-N18 VanDerWaalsContact O-N 3.12Å; N18-L20 PolarHBondContact O-N 2.93Å; N18-L20 VanDerWaalsContact O-N 3.09Å; N18-C21 PolarHBondContact O-N 3.35Å; N18-L22 PolarHBondContact O-N 2.9Å; N18-E24 PolarHBondContact ND2-O 3.36Å; N18-E24 VanDerWaalsContact ND2-O 3.08Å; N18-E24 PolarHBondContact OD1-O 2.92Å; N18-N25 WeakPolarHBondContact OD1-CA 3.29Å; N18-N25 PolarHBondContact OD1-OD1 3.32Å; N18-Y31 WeakPolarHBondContact CB-OH 3.45Å; N18-Y31 VanDerWaalsContact CG-OH 3.27Å; N18-Y31 PolarHBondContact OD1-OH 3.16Å; N18-Y55 HydrophobicContact CB-CE1 4.08Å; N18-Y55 WeakPolarHBondContact CB-OH 3.35Å; N18-Y55 PolarHBondContact ND2-OH 3.49Å
19L98.1Very high97.7Very high100 Ų10065 Ų6552%0.52432%0.324SS..Hα-helixtrans-54.6-31.5178.4-74.2161.6000113.6Q15 N25Q15-L19 HydrophobicContact CG-CD1 4.19Å; Q15-L19 PolarHBondContact O-N 2.81Å; L19-N25 VanDerWaalsContact CA-OD1 3.28Å; L19-N25 WeakPolarHBondContact CA-OD1 3.42Å; L19-N25 HydrophobicContact CD2-CB 4.3Å; L19-N25 WeakPolarHBondContact CD2-OD1 3.39Å; L19-N25 PolarHBondContact N-OD1 3.43Å
20L97.6Very high97.7Very high109 Ų10963.1 Ų63.157%0.57131%0.312SS*.Hα-helixtrans-82.9-20.7178-70.5175.1000114H16 C17 N18H16-L20 WeakPolarHBondContact NE2-CD1 3.41Å; H16-L20 WeakPolarHBondContact O-CG 3.43Å; H16-L20 PolarHBondContact O-N 3.49Å; C17-L20 PolarHBondContact O-N 3.23Å; N18-L20 PolarHBondContact O-N 2.93Å; N18-L20 VanDerWaalsContact O-N 3.09Å
21C96.1Very high97.7Very high27 Ų2762.7 Ų62.718%0.18231%0.31CS..Hα-helixtrans-116-26.7-166.3-66.20000114.4C17 N18 A76C17-C21 WeakPolarHBondContact O-CB 3.49Å; C17-C21 PolarHBondContact O-N 3.15Å; C17-C21 PolarHBondContact O-SG 3.32Å; N18-C21 PolarHBondContact O-N 3.35Å; C21-A76 HydrophobicContact CB-CB 3.68Å
22L96.4Very high97.7Very high44 Ų4466.9 Ų66.923%0.2333%0.328CS..  trans-135.1146.5-168.1-63.3176.2000111.7N18 N25 S74 A76N18-L22 PolarHBondContact O-N 2.9Å; L22-N25 PolarHBondContact O-ND2 3.26Å; L22-S74 WeakPolarHBondContact CD1-OG 3.2Å; L22-A76 HydrophobicContact CD1-CB 4.01Å; L22-A76 HydrophobicContact CG-CB 4.21Å
23P95Very high97.8Very high94 Ų9464.9 Ų64.961%0.6132%0.315SS*.SBendtrans-78.2-28173.326.4-25000112.8N25P23-N25 PolarHBondContact O-N 2.81Å; P23-N25 PolarHBondContact O-ND2 3.11Å
24E95.5Very high97.8Very high54 Ų5460.9 Ų60.925%0.25229%0.293SS..  trans-80.5112.9174.7-62.573.6-150.900110.8N18 R112 Y138N18-E24 PolarHBondContact ND2-O 3.36Å; N18-E24 VanDerWaalsContact ND2-O 3.08Å; N18-E24 PolarHBondContact OD1-O 2.92Å; E24-R112 IonicContact OE1-CZ 2.75Å; E24-R112 VanDerWaalsContact OE1-CZ 3.24Å; E24-R112 IonicContact OE1-NE 3.71Å; E24-R112 PolarHBondContact OE1-NE 2.86Å; E24-R112 IonicContact OE1-NH2 2.72Å; E24-R112 PolarHBondContact OE1-NH2 2.96Å; E24-Y138 HydrophobicContact CG-CD1 4.19Å; E24-Y138 HydrophobicContact CG-CE1 4.15Å
25N97.6Very high97.7Very high72 Ų7261.5 Ų61.539%0.38530%0.3SS..  trans-122.2152.3-173.8-66.9-80.6000112N18 L19 L22 P23N18-N25 WeakPolarHBondContact OD1-CA 3.29Å; N18-N25 PolarHBondContact OD1-OD1 3.32Å; L19-N25 VanDerWaalsContact CA-OD1 3.28Å; L19-N25 WeakPolarHBondContact CA-OD1 3.42Å; L19-N25 HydrophobicContact CD2-CB 4.3Å; L19-N25 WeakPolarHBondContact CD2-OD1 3.39Å; L19-N25 PolarHBondContact N-OD1 3.43Å; L22-N25 PolarHBondContact O-ND2 3.26Å; P23-N25 PolarHBondContact O-N 2.81Å; P23-N25 PolarHBondContact O-ND2 3.11Å
26Y97.3Very high97.7Very high69 Ų6965.3 Ų65.327%0.27132%0.321SS..  trans-129.7149.7-176.6-47.3-86.3000111.9Q15 Y30 T73Q15-Y26 PolarHBondContact NE2-O 3.04Å; Y26-Y30 AromaticContact CD1-CD1 3.45Å; Y26-Y30 HydrophobicContact CD1-CD1 3.45Å; Y26-Y30 VanDerWaalsContact CD1-CD1 3.45Å; Y26-Y30 AromaticContact CD1-CE1 3.59Å; Y26-Y30 HydrophobicContact CD1-CE1 3.59Å; Y26-Y30 HydrophobicContact CD1-CG 4.46Å; Y26-Y30 HydrophobicContact CE1-CD1 4.17Å; Y26-Y30 AromaticContact CE1-CE1 3.83Å; Y26-Y30 HydrophobicContact CE1-CE1 3.83Å; Y26-Y30 AromaticContact CG-CD1 3.66Å; Y26-Y30 HydrophobicContact CG-CD1 3.66Å; Y26-Y30 HydrophobicContact CG-CE1 4.17Å; Y26-T73 PolarHBondContact OH-O 2.96Å
27Q98Very high97.7Very high148 Ų14863.2 Ų63.269%0.69232%0.317SS*.  trans-69.3155.9171.7-64.2-169.1-7.500111.5K29 Y30Q27-K29 PolarHBondContact O-N 3.34Å; Q27-Y30 WeakPolarHBondContact O-CB 3.39Å; Q27-Y30 PolarHBondContact O-N 3.22Å
28M98.1Very high97.7Very high42 Ų4264.1 Ų64.121%0.20732%0.32CS..Hα-helixtrans-59.3-33.3-177.6-166.757.559.500113.1L11 M12 Q15 Y30 Y31 F32L11-M28 HydrophobicContact CB-SD 4.36Å; M12-M28 HydrophobicContact CB-CE 4.32Å; M12-M28 HydrophobicContact CG-CE 3.8Å; M12-M28 HydrophobicContact CG-SD 4.2Å; Q15-M28 HydrophobicContact CB-CE 3.82Å; Q15-M28 VanDerWaalsContact CD-CE 3.41Å; Q15-M28 HydrophobicContact CG-CE 4.21Å; M28-Y30 PolarHBondContact O-N 2.67Å; M28-Y31 WeakPolarHBondContact O-CB 3.45Å; M28-Y31 PolarHBondContact O-N 3.36Å; M28-F32 HydrophobicContact CG-CD2 3.81Å; M28-F32 HydrophobicContact CG-CE2 3.44Å; M28-F32 VanDerWaalsContact CG-CE2 3.44Å; M28-F32 HydrophobicContact CG-CZ 4.14Å; M28-F32 WeakPolarHBondContact O-CD2 3.1Å; M28-F32 PolarHBondContact O-N 3.11Å; M28-F32 HydrophobicContact SD-CE2 4.4Å
29K98.3Very high97.7Very high124 Ų12466.7 Ų66.754%0.53934%0.337SS..Hα-helixtrans-50.8-40.3173.5-179.9-170.8170.6-157.90111.6Q27 F32 Y33 E202Q27-K29 PolarHBondContact O-N 3.34Å; K29-F32 PolarHBondContact O-N 2.85Å; K29-Y33 WeakPolarHBondContact O-CB 3.47Å; K29-Y33 PolarHBondContact O-N 3.22Å; K29-E202 VanDerWaalsContact NZ-CD 3.28Å; K29-E202 IonicContact NZ-OE1 2.86Å; K29-E202 PolarHBondContact NZ-OE1 3.4Å; K29-E202 IonicContact NZ-OE2 2.92Å; K29-E202 PolarHBondContact NZ-OE2 3.41Å
30Y98.3Very high97.7Very high79 Ų7965.3 Ų65.331%0.3133%0.328SS..Hα-helixtrans-72.1-35.6-179-161.3-123000112.6Y26 Q27 M28 Y33 H34 T73Y26-Y30 AromaticContact CD1-CD1 3.45Å; Y26-Y30 HydrophobicContact CD1-CD1 3.45Å; Y26-Y30 VanDerWaalsContact CD1-CD1 3.45Å; Y26-Y30 AromaticContact CD1-CE1 3.59Å; Y26-Y30 HydrophobicContact CD1-CE1 3.59Å; Y26-Y30 HydrophobicContact CD1-CG 4.46Å; Y26-Y30 HydrophobicContact CE1-CD1 4.17Å; Y26-Y30 AromaticContact CE1-CE1 3.83Å; Y26-Y30 HydrophobicContact CE1-CE1 3.83Å; Y26-Y30 AromaticContact CG-CD1 3.66Å; Y26-Y30 HydrophobicContact CG-CD1 3.66Å; Y26-Y30 HydrophobicContact CG-CE1 4.17Å; Q27-Y30 WeakPolarHBondContact O-CB 3.39Å; Q27-Y30 PolarHBondContact O-N 3.22Å; M28-Y30 PolarHBondContact O-N 2.67Å; Y30-Y33 HydrophobicContact CD2-CD1 4.24Å; Y30-Y33 HydrophobicContact CE2-CD1 4.18Å; Y30-Y33 PolarHBondContact O-N 2.88Å; Y30-H34 AromaticContact CD1-CE1 3.82Å; Y30-H34 AromaticContact CE1-CE1 3.44Å; Y30-H34 VanDerWaalsContact CE1-CE1 3.44Å; Y30-H34 WeakPolarHBondContact CE1-CE1 3.4Å; Y30-H34 AromaticContact CE2-CE1 3.9Å; Y30-H34 AromaticContact CZ-CE1 3.48Å; Y30-H34 VanDerWaalsContact CZ-CE1 3.48Å; Y30-H34 PolarHBondContact O-N 2.89Å; Y30-H34 PolarHBondContact O-ND1 2.9Å; Y30-T73 HydrophobicContact CE1-CG2 3.64Å
31Y98.7Very high97.8Very high0 Ų060.1 Ų60.10%030%0.301CS..Hα-helixtrans-65.2-42.8171.3-73.4-92.2000111.6M14 Q15 N18 M28 H34 G35 L57M14-Y31 HydrophobicContact CB-CD1 4.38Å; M14-Y31 HydrophobicContact CB-CE1 4.13Å; Q15-Y31 HydrophobicContact CB-CD2 4.26Å; Q15-Y31 HydrophobicContact CB-CE1 4.36Å; Q15-Y31 HydrophobicContact CB-CE2 3.8Å; Q15-Y31 HydrophobicContact CG-CD2 4.38Å; Q15-Y31 HydrophobicContact CG-CE2 3.73Å; N18-Y31 WeakPolarHBondContact CB-OH 3.45Å; N18-Y31 VanDerWaalsContact CG-OH 3.27Å; N18-Y31 PolarHBondContact OD1-OH 3.16Å; M28-Y31 WeakPolarHBondContact O-CB 3.45Å; M28-Y31 PolarHBondContact O-N 3.36Å; Y31-H34 PolarHBondContact O-N 3.24Å; Y31-G35 PolarHBondContact O-N 3.04Å; Y31-L57 HydrophobicContact CD1-CD1 4.19Å; Y31-L57 HydrophobicContact CD1-CD2 4.05Å; Y31-L57 HydrophobicContact CE1-CD2 3.97Å
32F98.6Very high97.9Very high91 Ų9159 Ų5940%0.39929%0.294SS..Hα-helixtrans-63.5-42.2175.1-75.8-52.6000112.1L11 M28 K29 H34 G35 L36L11-F32 HydrophobicContact CD1-CD1 3.51Å; L11-F32 HydrophobicContact CD1-CE1 3.86Å; L11-F32 HydrophobicContact CD1-CG 4.36Å; M28-F32 HydrophobicContact CG-CD2 3.81Å; M28-F32 HydrophobicContact CG-CE2 3.44Å; M28-F32 VanDerWaalsContact CG-CE2 3.44Å; M28-F32 HydrophobicContact CG-CZ 4.14Å; M28-F32 WeakPolarHBondContact O-CD2 3.1Å; M28-F32 PolarHBondContact O-N 3.11Å; M28-F32 HydrophobicContact SD-CE2 4.4Å; K29-F32 PolarHBondContact O-N 2.85Å; F32-H34 VanDerWaalsContact C-N 3.31Å; F32-H34 PolarHBondContact O-N 2.94Å; F32-G35 PolarHBondContact O-N 3.08Å; F32-L36 HydrophobicContact CB-CD1 4.39Å; F32-L36 VanDerWaalsContact O-CB 3.29Å; F32-L36 WeakPolarHBondContact O-CB 3.43Å; F32-L36 WeakPolarHBondContact O-CG 3.35Å; F32-L36 PolarHBondContact O-N 2.75Å
33Y98.4Very high98Very high82 Ų8258.5 Ų58.532%0.32229%0.289SS..Hα-helixtrans-53.5-48.5174.1169.8-111.8000111.4K29 Y30 L36 S37 W38 E62K29-Y33 WeakPolarHBondContact O-CB 3.47Å; K29-Y33 PolarHBondContact O-N 3.22Å; Y30-Y33 HydrophobicContact CD2-CD1 4.24Å; Y30-Y33 HydrophobicContact CE2-CD1 4.18Å; Y30-Y33 PolarHBondContact O-N 2.88Å; Y33-L36 PolarHBondContact O-N 3.2Å; Y33-S37 WeakPolarHBondContact CE2-OG 3.04Å; Y33-S37 VanDerWaalsContact O-CB 3.22Å; Y33-S37 WeakPolarHBondContact O-CB 3.36Å; Y33-S37 PolarHBondContact O-N 3.11Å; Y33-S37 PolarHBondContact O-OG 3.19Å; Y33-W38 HydrophobicContact CD1-CZ3 4.32Å; Y33-W38 AromaticContact CE1-CH2 3.93Å; Y33-W38 HydrophobicContact CE1-CH2 3.93Å; Y33-W38 AromaticContact CE1-CZ3 3.71Å; Y33-W38 HydrophobicContact CE1-CZ3 3.71Å; Y33-W38 AromaticContact CZ-CH2 3.72Å; Y33-W38 AromaticContact CZ-CZ3 3.88Å; Y33-W38 WeakPolarHBondContact OH-CH2 3.29Å; Y33-E62 VanDerWaalsContact OH-CD 3.24Å; Y33-E62 PolarHBondContact OH-OE1 2.75Å; Y33-E62 PolarHBondContact OH-OE2 3.31Å
34H98.7Very high98.2Very high0 Ų054 Ų540%026%0.26CS..Hα-helixtrans-61.8-48.7175.4-74.772.3000113Y30 Y31 F32 L36 W38 L57 T73Y30-H34 AromaticContact CD1-CE1 3.82Å; Y30-H34 AromaticContact CE1-CE1 3.44Å; Y30-H34 VanDerWaalsContact CE1-CE1 3.44Å; Y30-H34 WeakPolarHBondContact CE1-CE1 3.4Å; Y30-H34 AromaticContact CE2-CE1 3.9Å; Y30-H34 AromaticContact CZ-CE1 3.48Å; Y30-H34 VanDerWaalsContact CZ-CE1 3.48Å; Y30-H34 PolarHBondContact O-N 2.89Å; Y30-H34 PolarHBondContact O-ND1 2.9Å; Y31-H34 PolarHBondContact O-N 3.24Å; F32-H34 VanDerWaalsContact C-N 3.31Å; F32-H34 PolarHBondContact O-N 2.94Å; H34-L36 PolarHBondContact O-N 2.91Å; H34-W38 CarbonylContact O-C 3.49Å; H34-W38 PolarHBondContact O-N 3.2Å; H34-L57 HydrophobicContact CB-CD1 3.67Å; H34-L57 HydrophobicContact CB-CG 4.3Å; H34-T73 PolarHBondContact NE2-OG1 3.06Å
35G98Very high98.4Very high13 Ų1351.5 Ų51.513%0.13425%0.248CC..Hα-helixtrans-68.2-21.7-175.800000114.2Y31 F32 P39Y31-G35 PolarHBondContact O-N 3.04Å; F32-G35 PolarHBondContact O-N 3.08Å; G35-P39 WeakPolarHBondContact O-CB 3.37Å
36L98.1Very high98.4Very high128 Ų12849.1 Ų49.167%0.6724%0.235SC*.Hα-helixtrans-97.4-34.4178.7-63.7174.8000112.4F32 Y33 H34F32-L36 HydrophobicContact CB-CD1 4.39Å; F32-L36 VanDerWaalsContact O-CB 3.29Å; F32-L36 WeakPolarHBondContact O-CB 3.43Å; F32-L36 WeakPolarHBondContact O-CG 3.35Å; F32-L36 PolarHBondContact O-N 2.75Å; Y33-L36 PolarHBondContact O-N 3.2Å; H34-L36 PolarHBondContact O-N 2.91Å
37S98.3Very high98.4Very high52 Ų5247.2 Ų47.236%0.36423%0.229SC..Hα-helixtrans-79.6-41.4178.1-60.50000112.6Y33Y33-S37 WeakPolarHBondContact CE2-OG 3.04Å; Y33-S37 VanDerWaalsContact O-CB 3.22Å; Y33-S37 WeakPolarHBondContact O-CB 3.36Å; Y33-S37 PolarHBondContact O-N 3.11Å; Y33-S37 PolarHBondContact O-OG 3.19Å
38W98.7Very high98.3Very high18 Ų1849 Ų497%0.06824%0.238CC..  trans-134.763.1-177.4-51.3-77.1000112.7Y33 H34 Q40 L41 K59 M60 E62 F102Y33-W38 HydrophobicContact CD1-CZ3 4.32Å; Y33-W38 AromaticContact CE1-CH2 3.93Å; Y33-W38 HydrophobicContact CE1-CH2 3.93Å; Y33-W38 AromaticContact CE1-CZ3 3.71Å; Y33-W38 HydrophobicContact CE1-CZ3 3.71Å; Y33-W38 AromaticContact CZ-CH2 3.72Å; Y33-W38 AromaticContact CZ-CZ3 3.88Å; Y33-W38 WeakPolarHBondContact OH-CH2 3.29Å; H34-W38 CarbonylContact O-C 3.49Å; H34-W38 PolarHBondContact O-N 3.2Å; W38-Q40 PolarHBondContact O-N 2.82Å; W38-L41 HydrophobicContact CB-CB 4.23Å; W38-L41 HydrophobicContact CB-CD1 3.72Å; W38-L41 HydrophobicContact CB-CG 3.85Å; W38-L41 HydrophobicContact CG-CD1 4.04Å; W38-L41 PolarHBondContact O-N 2.79Å; W38-K59 HydrophobicContact CD2-CB 3.88Å; W38-K59 HydrophobicContact CE3-CB 3.32Å; W38-K59 HydrophobicContact CH2-CB 3.75Å; W38-K59 HydrophobicContact CH2-CD 4.23Å; W38-K59 HydrophobicContact CZ2-CB 4.26Å; W38-K59 HydrophobicContact CZ3-CB 3.27Å; W38-K59 HydrophobicContact CZ3-CD 4.23Å; W38-K59 HydrophobicContact CZ3-CG 4.36Å; W38-M60 HydrophobicContact CZ2-CB 4.43Å; W38-M60 VanDerWaalsContact CZ2-O 3.3Å; W38-M60 WeakPolarHBondContact CZ2-O 3.31Å; W38-E62 HydrophobicContact CH2-CG 4.23Å; W38-E62 VanDerWaalsContact CH2-OE1 3.22Å; W38-E62 WeakPolarHBondContact CH2-OE1 3.49Å; W38-E62 HydrophobicContact CZ2-CG 3.81Å; W38-E62 WeakPolarHBondContact CZ2-OE1 3.3Å; W38-F102 AromaticContact CD1-CE1 4Å; W38-F102 AromaticContact CD1-CZ 3.77Å
39P98.5Very high98.2Very high54 Ų5454 Ų5435%0.35127%0.265SS..THydrogen-bonded Turntrans-57-27.1-173.919.7-30.7000113.7N5 G35 L41N5-P39 PolarHBondContact ND2-O 3.12Å; N5-P39 PolarHBondContact OD1-O 3.32Å; G35-P39 WeakPolarHBondContact O-CB 3.37Å; P39-L41 PolarHBondContact O-N 3.23Å
40Q98.7Very high98.1Very high72 Ų7250.1 Ų50.134%0.33626%0.26SS..THydrogen-bonded Turntrans-76.9-17.4-177.8-54.883.1-1.700113.9N5 W38 Y43 A97N5-Q40 PolarHBondContact ND2-O 3.22Å; W38-Q40 PolarHBondContact O-N 2.82Å; Q40-Y43 VanDerWaalsContact O-CE2 3.28Å; Q40-Y43 WeakPolarHBondContact O-CE2 3.26Å; Q40-A97 WeakPolarHBondContact O-CB 3.34Å
41L98.8Very high98Very high0 Ų052.2 Ų52.20%027%0.271CS..THydrogen-bonded Turntrans-93-23.3-164.4-61.1-169.1000114.7W38 P39 A58 M60 A94 A97 M98 F102W38-L41 HydrophobicContact CB-CB 4.23Å; W38-L41 HydrophobicContact CB-CD1 3.72Å; W38-L41 HydrophobicContact CB-CG 3.85Å; W38-L41 HydrophobicContact CG-CD1 4.04Å; W38-L41 PolarHBondContact O-N 2.79Å; P39-L41 PolarHBondContact O-N 3.23Å; L41-A58 HydrophobicContact CB-CB 4.13Å; L41-M60 HydrophobicContact CD1-CG 3.91Å; L41-M60 HydrophobicContact CD1-SD 4.05Å; L41-A94 WeakPolarHBondContact O-CB 3.26Å; L41-A97 HydrophobicContact CD2-CB 3.73Å; L41-M98 HydrophobicContact CD1-CG 4.08Å; L41-M98 HydrophobicContact CD2-CB 4.33Å; L41-M98 HydrophobicContact CD2-CG 3.76Å; L41-M98 HydrophobicContact CG-CG 4.48Å; L41-F102 HydrophobicContact CD1-CD2 4.12Å; L41-F102 HydrophobicContact CD1-CE2 3.88Å; L41-F102 HydrophobicContact CD2-CD2 3.92Å; L41-F102 HydrophobicContact CD2-CE2 3.66Å; L41-F102 HydrophobicContact CG-CD2 4.32Å; L41-F102 HydrophobicContact CG-CE2 3.78Å
42S98.8Very high98Very high4 Ų452.5 Ų52.53%0.02827%0.272CS..  trans-92.2138.1-178.2-63.10000111N5 A6 V56 A58N5-S42 PolarHBondContact ND2-O 2.8Å; A6-S42 WeakPolarHBondContact CB-O 3.21Å; A6-S42 PolarHBondContact N-O 2.87Å; S42-V56 WeakPolarHBondContact CA-O 3.42Å; S42-V56 WeakPolarHBondContact CB-O 3.35Å; S42-A58 PolarHBondContact OG-N 3.48Å
43Y98.9Very high98Very high33 Ų3348.2 Ų48.213%0.12925%0.253CS..EExtended strand (participates in β ladder)trans-133.3152.3-178.2-77.4-106.1000110.5I3 R4 N5 Q40 Y55 V56 Q93 A94 A97I3-Y43 HydrophobicContact CG2-CD1 4.37Å; R4-Y43 WeakPolarHBondContact O-CA 3.43Å; R4-Y43 WeakPolarHBondContact O-CD1 3.46Å; N5-Y43 HydrophobicContact CB-CD1 4.3Å; N5-Y43 HydrophobicContact CB-CE1 3.95Å; Q40-Y43 VanDerWaalsContact O-CE2 3.28Å; Q40-Y43 WeakPolarHBondContact O-CE2 3.26Å; Y43-Y55 CarbonylContact O-C 3.51Å; Y43-Y55 VanDerWaalsContact O-CA 3.3Å; Y43-Y55 WeakPolarHBondContact O-CA 3.45Å; Y43-V56 PolarHBondContact N-O 2.93Å; Y43-V56 PolarHBondContact O-N 3.14Å; Y43-Q93 HydrophobicContact CD1-CB 3.69Å; Y43-Q93 HydrophobicContact CD1-CG 4.17Å; Y43-Q93 HydrophobicContact CD2-CB 4.03Å; Y43-Q93 HydrophobicContact CE1-CB 3.64Å; Y43-Q93 HydrophobicContact CE1-CG 4.08Å; Y43-Q93 HydrophobicContact CE2-CB 3.99Å; Y43-Q93 HydrophobicContact CG-CB 3.9Å; Y43-A94 HydrophobicContact CD2-CB 4.47Å; Y43-A97 HydrophobicContact CE2-CB 4.2Å
44I98.9Very high98Very high0 Ų044.3 Ų44.30%024%0.238CC..EExtended strand (participates in β ladder)trans-122.9156.1175.766.4168.7000110.7I3 R4 A6 D10 M14 I52I3-I44 WeakPolarHBondContact CA-O 3.14Å; R4-I44 HydrophobicContact CG-CD1 4.36Å; R4-I44 HydrophobicContact CG-CG1 3.97Å; R4-I44 PolarHBondContact N-O 3.37Å; R4-I44 VanDerWaalsContact N-O 3.15Å; R4-I44 PolarHBondContact O-N 3.18Å; A6-I44 HydrophobicContact CB-CG2 3.92Å; D10-I44 HydrophobicContact CB-CD1 4.23Å; D10-I44 HydrophobicContact CB-CG2 4.47Å; M14-I44 HydrophobicContact CG-CG2 3.78Å; M14-I44 HydrophobicContact SD-CG2 3.79Å; I44-I52 HydrophobicContact CB-CD1 4.25Å; I44-I52 HydrophobicContact CD1-CD1 3.94Å; I44-I52 HydrophobicContact CD1-CG1 4.06Å; I44-I52 HydrophobicContact CG2-CD1 3.88Å
45A98.8Very high98Very high0 Ų044.3 Ų44.30%024%0.238CC..EExtended strand (participates in β ladder)trans-115.5124.2165.100000108.4N2 I3 V53 G54 L86 L90N2-A45 CarbonylContact O-C 3.54Å; N2-A45 VanDerWaalsContact O-CA 3.28Å; N2-A45 WeakPolarHBondContact O-CA 3.48Å; I3-A45 HydrophobicContact CG1-CB 4.13Å; A45-V53 HydrophobicContact CB-CG2 4.17Å; A45-V53 VanDerWaalsContact O-CG2 3.31Å; A45-V53 WeakPolarHBondContact O-CG2 2.92Å; A45-V53 PolarHBondContact O-N 2.7Å; A45-G54 PolarHBondContact N-O 2.98Å; A45-G54 PolarHBondContact O-N 3.31Å; A45-L86 HydrophobicContact CB-CD1 4.33Å; A45-L86 HydrophobicContact CB-CD2 4.37Å; A45-L90 HydrophobicContact CB-CD1 4.31Å; A45-L90 HydrophobicContact CB-CD2 4.4Å
46E98.3Very high98.1Very high23 Ų2343.7 Ų43.711%0.10723%0.232CC..EExtended strand (participates in β ladder)trans-120.2150179.666-168.1178.300111.9M1 N2 R4 K51M1-E46 CarbonylContact C-O 3.58Å; M1-E46 VanDerWaalsContact CA-O 3.23Å; M1-E46 WeakPolarHBondContact CA-O 3.3Å; N2-E46 HydrophobicContact CB-CG 3.8Å; N2-E46 PolarHBondContact N-O 3.16Å; N2-E46 PolarHBondContact ND2-OE1 3.35Å; N2-E46 PolarHBondContact O-N 3Å; R4-E46 IonicContact CZ-OE1 3.01Å; R4-E46 IonicContact CZ-OE2 3.64Å; R4-E46 VanDerWaalsContact NE-CD 3.33Å; R4-E46 IonicContact NE-OE1 2.62Å; R4-E46 PolarHBondContact NE-OE1 3.08Å; R4-E46 IonicContact NE-OE2 2.72Å; R4-E46 PolarHBondContact NE-OE2 2.88Å; R4-E46 VanDerWaalsContact NE-OE2 3.13Å; R4-E46 IonicContact NH2-OE2 2.83Å; R4-E46 PolarHBondContact NH2-OE2 3.34Å; E46-K51 VanDerWaalsContact CA-O 3.27Å; E46-K51 WeakPolarHBondContact CA-O 3.42Å
47D97.1Very high98.1Very high29 Ų2937.6 Ų37.616%0.15520%0.2CC..  trans-80.1-178.31727115.6000112M1 N49 G50 K51 V53M1-D47 HydrophobicContact CE-CB 3.81Å; M1-D47 HydrophobicContact SD-CB 3.91Å; D47-N49 PolarHBondContact O-N 2.99Å; D47-N49 VanDerWaalsContact O-N 3.16Å; D47-N49 WeakPolarHBondContact OD1-CA 3.37Å; D47-N49 WeakPolarHBondContact OD1-CB 3.28Å; D47-N49 PolarHBondContact OD1-N 3.35Å; D47-G50 PolarHBondContact O-N 3.48Å; D47-G50 PolarHBondContact OD1-N 3.15Å; D47-K51 PolarHBondContact N-O 3.13Å; D47-K51 WeakPolarHBondContact OD1-CB 3.46Å; D47-K51 PolarHBondContact OD1-N 2.93Å; D47-V53 HydrophobicContact CB-CG1 4.14Å
48E95.6Very high98.2Very high186 Ų18635.1 Ų35.187%0.86918%0.182SC*.THydrogen-bonded Turntrans-64-17.1-178.4-64.4173.3-170.900113.4
49N96.5Very high98.2Very high147 Ų14735.6 Ų35.679%0.78619%0.185SC*.THydrogen-bonded Turntrans-96.38.1177.2-55.8-59.1000112.3D47 K51D47-N49 PolarHBondContact O-N 2.99Å; D47-N49 VanDerWaalsContact O-N 3.16Å; D47-N49 WeakPolarHBondContact OD1-CA 3.37Å; D47-N49 WeakPolarHBondContact OD1-CB 3.28Å; D47-N49 PolarHBondContact OD1-N 3.35Å; N49-K51 VanDerWaalsContact C-N 3.26Å; N49-K51 PolarHBondContact O-N 2.84Å
50G95.1Very high98.2Very high42 Ų4233.6 Ų33.643%0.43317%0.171SC..SBendtrans73.613.6-176.800000113.9D47D47-G50 PolarHBondContact O-N 3.48Å; D47-G50 PolarHBondContact OD1-N 3.15Å
51K97.4Very high98.1Very high123 Ų12333 Ų3354%0.53517%0.169SC..  trans-83.2127.7178.8-174.4178.1-177.5171.30110E46 D47 N49 V53E46-K51 VanDerWaalsContact CA-O 3.27Å; E46-K51 WeakPolarHBondContact CA-O 3.42Å; D47-K51 PolarHBondContact N-O 3.13Å; D47-K51 WeakPolarHBondContact OD1-CB 3.46Å; D47-K51 PolarHBondContact OD1-N 2.93Å; N49-K51 VanDerWaalsContact C-N 3.26Å; N49-K51 PolarHBondContact O-N 2.84Å; K51-V53 PolarHBondContact O-N 2.98Å
52I98.6Very high97.6Very high5 Ų538.8 Ų38.83%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-62.9122.7174.4-59.8-170.7000110.2D10 N13 M14 C17 I44 G54 K78D10-I52 HydrophobicContact CB-CD1 4.15Å; N13-I52 HydrophobicContact CB-CB 4.48Å; N13-I52 HydrophobicContact CB-CD1 3.47Å; N13-I52 VanDerWaalsContact CB-CD1 3.47Å; N13-I52 HydrophobicContact CB-CG1 3.97Å; M14-I52 HydrophobicContact CG-CD1 3.97Å; C17-I52 HydrophobicContact CB-CG2 4.31Å; I44-I52 HydrophobicContact CB-CD1 4.25Å; I44-I52 HydrophobicContact CD1-CD1 3.94Å; I44-I52 HydrophobicContact CD1-CG1 4.06Å; I44-I52 HydrophobicContact CG2-CD1 3.88Å; I52-G54 WeakPolarHBondContact CG2-O 3.18Å; I52-K78 VanDerWaalsContact O-CE 3.29Å; I52-K78 WeakPolarHBondContact O-CE 3.46Å; I52-K78 PolarHBondContact O-NZ 3.37Å
53V98.6Very high97.3Very high1 Ų142.8 Ų42.81%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-111.2-13.5175.8-62.10000112.9M1 A45 D47 K51 K78 H81 L86M1-V53 HydrophobicContact SD-CG2 3.75Å; A45-V53 HydrophobicContact CB-CG2 4.17Å; A45-V53 VanDerWaalsContact O-CG2 3.31Å; A45-V53 WeakPolarHBondContact O-CG2 2.92Å; A45-V53 PolarHBondContact O-N 2.7Å; D47-V53 HydrophobicContact CB-CG1 4.14Å; K51-V53 PolarHBondContact O-N 2.98Å; V53-K78 WeakPolarHBondContact O-CB 3.44Å; V53-K78 PolarHBondContact O-N 3.09Å; V53-H81 HydrophobicContact CB-CB 4.07Å; V53-H81 HydrophobicContact CG2-CB 4.32Å; V53-L86 HydrophobicContact CG2-CD1 4.12Å
54G98.7Very high96.6Very high0 Ų046.9 Ų46.90%025%0.247CC..EExtended strand (participates in β ladder)trans-165.6162.1169.900000111.5A45 I52 A76A45-G54 PolarHBondContact N-O 2.98Å; A45-G54 PolarHBondContact O-N 3.31Å; I52-G54 WeakPolarHBondContact CG2-O 3.18Å; G54-A76 CarbonylContact C-O 3.5Å; G54-A76 WeakPolarHBondContact CA-O 3.38Å
55Y98.9Very high96.2Very high0 Ų054.1 Ų54.10%029%0.286CS..EExtended strand (participates in β ladder)trans-152.5159.6177.573.8-86.7000110.6M14 C17 N18 Y43 L57 S74 L75 A76M14-Y55 HydrophobicContact CB-CD2 4.5Å; M14-Y55 HydrophobicContact CB-CG 4.28Å; M14-Y55 HydrophobicContact CE-CD2 3.69Å; M14-Y55 HydrophobicContact CE-CG 4.16Å; M14-Y55 HydrophobicContact CG-CG 4.21Å; C17-Y55 HydrophobicContact CB-CD1 3.82Å; C17-Y55 HydrophobicContact CB-CE1 3.95Å; N18-Y55 HydrophobicContact CB-CE1 4.08Å; N18-Y55 WeakPolarHBondContact CB-OH 3.35Å; N18-Y55 PolarHBondContact ND2-OH 3.49Å; Y43-Y55 CarbonylContact O-C 3.51Å; Y43-Y55 VanDerWaalsContact O-CA 3.3Å; Y43-Y55 WeakPolarHBondContact O-CA 3.45Å; Y55-L57 HydrophobicContact CD2-CB 4.15Å; Y55-L57 HydrophobicContact CE2-CB 3.99Å; Y55-S74 PolarHBondContact OH-OG 3.15Å; Y55-L75 WeakPolarHBondContact O-CD1 3.18Å; Y55-A76 HydrophobicContact CD1-CB 4.27Å; Y55-A76 HydrophobicContact CE1-CB 3.63Å; Y55-A76 PolarHBondContact N-O 2.88Å; Y55-A76 PolarHBondContact O-N 2.92Å; Y55-A76 VanDerWaalsContact O-N 3.08Å
56V98.9Very high95.9Very high0 Ų058 Ų580%031%0.306CS..EExtended strand (participates in β ladder)trans-123.3127.3161.261.80000108.1S42 Y43 I72 S74 L75 L90 M91 A94S42-V56 WeakPolarHBondContact CA-O 3.42Å; S42-V56 WeakPolarHBondContact CB-O 3.35Å; Y43-V56 PolarHBondContact N-O 2.93Å; Y43-V56 PolarHBondContact O-N 3.14Å; V56-I72 HydrophobicContact CG2-CD1 4.05Å; V56-I72 HydrophobicContact CG2-CG2 4.06Å; V56-S74 WeakPolarHBondContact CA-O 3.38Å; V56-L75 HydrophobicContact CB-CD1 3.74Å; V56-L75 HydrophobicContact CG2-CD1 4.06Å; V56-L90 HydrophobicContact CB-CB 4.18Å; V56-L90 HydrophobicContact CG1-CB 3.92Å; V56-L90 HydrophobicContact CG1-CD2 4.36Å; V56-M91 HydrophobicContact CG2-SD 4.07Å; V56-A94 HydrophobicContact CG1-CB 4.01Å; V56-A94 HydrophobicContact CG2-CB 4.36Å
57L98.9Very high95.7Very high0 Ų060.7 Ų60.70%033%0.325CS..EExtended strand (participates in β ladder)trans-107119.9171.9-174.773.6000106.7M14 Y31 H34 Y55 T73 S74M14-L57 HydrophobicContact CE-CB 4.18Å; M14-L57 HydrophobicContact CE-CD1 3.78Å; Y31-L57 HydrophobicContact CD1-CD1 4.19Å; Y31-L57 HydrophobicContact CD1-CD2 4.05Å; Y31-L57 HydrophobicContact CE1-CD2 3.97Å; H34-L57 HydrophobicContact CB-CD1 3.67Å; H34-L57 HydrophobicContact CB-CG 4.3Å; Y55-L57 HydrophobicContact CD2-CB 4.15Å; Y55-L57 HydrophobicContact CE2-CB 3.99Å; L57-T73 HydrophobicContact CD2-CG2 4.04Å; L57-T73 PolarHBondContact O-N 2.72Å; L57-T73 VanDerWaalsContact O-N 3.09Å; L57-S74 PolarHBondContact N-O 3.45Å; L57-S74 PolarHBondContact O-N 3.3Å; L57-S74 VanDerWaalsContact O-N 3.12Å
58A98.8Very high95.7Very high0 Ų062.5 Ų62.50%034%0.338CS..EExtended strand (participates in β ladder)trans-138.9153-172.800000111.7L41 S42 H71 I72 M98L41-A58 HydrophobicContact CB-CB 4.13Å; S42-A58 PolarHBondContact OG-N 3.48Å; A58-H71 WeakPolarHBondContact CA-O 3.46Å; A58-I72 HydrophobicContact CB-CD1 4.02Å; A58-M98 HydrophobicContact CB-CE 3.62Å
59K98.8Very high95.8Very high28 Ų2854.1 Ų54.112%0.12230%0.299CS..EExtended strand (participates in β ladder)trans-135.1172.5177.661.3169.2-177.2143.60111.1W38 E61 G70 H71W38-K59 HydrophobicContact CD2-CB 3.88Å; W38-K59 HydrophobicContact CE3-CB 3.32Å; W38-K59 HydrophobicContact CH2-CB 3.75Å; W38-K59 HydrophobicContact CH2-CD 4.23Å; W38-K59 HydrophobicContact CZ2-CB 4.26Å; W38-K59 HydrophobicContact CZ3-CB 3.27Å; W38-K59 HydrophobicContact CZ3-CD 4.23Å; W38-K59 HydrophobicContact CZ3-CG 4.36Å; K59-E61 WeakPolarHBondContact CE-OE1 3.38Å; K59-E61 IonicContact NZ-OE1 2.92Å; K59-E61 PolarHBondContact NZ-OE1 3.08Å; K59-E61 IonicContact NZ-OE2 3.06Å; K59-E61 PolarHBondContact NZ-OE2 3.26Å; K59-G70 CarbonylContact O-C 3.46Å; K59-G70 WeakPolarHBondContact O-CA 3.31Å; K59-H71 HydrophobicContact CG-CB 3.95Å; K59-H71 PolarHBondContact N-O 3.4Å; K59-H71 PolarHBondContact O-N 3.15Å
60M98.6Very high95.9Very high12 Ų1247.1 Ų47.16%0.05926%0.261CS..EExtended strand (participates in β ladder)trans-91.5147.8156.7-63.6-59.7-63.100108.9W38 L41 P68 H69 M98 F102 A104W38-M60 HydrophobicContact CZ2-CB 4.43Å; W38-M60 VanDerWaalsContact CZ2-O 3.3Å; W38-M60 WeakPolarHBondContact CZ2-O 3.31Å; L41-M60 HydrophobicContact CD1-CG 3.91Å; L41-M60 HydrophobicContact CD1-SD 4.05Å; M60-P68 HydrophobicContact CE-CB 4.33Å; M60-H69 VanDerWaalsContact CE-C 3.42Å; M60-H69 VanDerWaalsContact CE-O 3.29Å; M60-H69 WeakPolarHBondContact CE-O 3.38Å; M60-M98 HydrophobicContact SD-CB 4.33Å; M60-M98 HydrophobicContact SD-CG 4.21Å; M60-F102 HydrophobicContact CE-CB 3.66Å; M60-F102 HydrophobicContact CE-CG 4.44Å; M60-F102 HydrophobicContact CG-CB 3.94Å; M60-F102 HydrophobicContact CG-CD1 4.09Å; M60-F102 HydrophobicContact CG-CD2 3.83Å; M60-F102 HydrophobicContact CG-CE2 4.39Å; M60-F102 HydrophobicContact CG-CG 3.67Å; M60-F102 HydrophobicContact SD-CB 3.69Å; M60-F102 HydrophobicContact SD-CD2 3.94Å; M60-F102 HydrophobicContact SD-CG 3.94Å; M60-A104 HydrophobicContact CE-CB 3.88Å; M60-A104 HydrophobicContact SD-CB 4.35Å
61E97.1Very high96.1Very high61 Ų6146.1 Ų46.129%0.28525%0.245SC..  trans-73.4144.8163.1-70.7-56.5160.200110.4K59 H69 H71K59-E61 WeakPolarHBondContact CE-OE1 3.38Å; K59-E61 IonicContact NZ-OE1 2.92Å; K59-E61 PolarHBondContact NZ-OE1 3.08Å; K59-E61 IonicContact NZ-OE2 3.06Å; K59-E61 PolarHBondContact NZ-OE2 3.26Å; E61-H69 WeakPolarHBondContact CG-NE2 3.28Å; E61-H69 PolarHBondContact N-O 3.41Å; E61-H71 HydrophobicContact CG-CB 4.13Å; E61-H71 VanDerWaalsContact OE1-CB 3.27Å; E61-H71 WeakPolarHBondContact OE1-CB 3.41Å; E61-H71 IonicContact OE1-CD2 2.96Å; E61-H71 IonicContact OE1-CG 2.79Å; E61-H71 VanDerWaalsContact OE1-CG 3.3Å; E61-H71 IonicContact OE1-ND1 3.24Å
62E89.3Confident96.2Very high121 Ų12140.7 Ų40.757%0.56522%0.222SC*.  trans-103.3-2.6-169.2-63.7-179.3161.600113.2Y33 W38 P64Y33-E62 VanDerWaalsContact OH-CD 3.24Å; Y33-E62 PolarHBondContact OH-OE1 2.75Å; Y33-E62 PolarHBondContact OH-OE2 3.31Å; W38-E62 HydrophobicContact CH2-CG 4.23Å; W38-E62 VanDerWaalsContact CH2-OE1 3.22Å; W38-E62 WeakPolarHBondContact CH2-OE1 3.49Å; W38-E62 HydrophobicContact CZ2-CG 3.81Å; W38-E62 WeakPolarHBondContact CZ2-OE1 3.3Å; E62-P64 WeakPolarHBondContact O-CD 3.39Å
63D91.6Very high96.2Very high87 Ų8741.2 Ų41.247%0.46523%0.225SC..  trans-65.6117.3179.4-170-29.6000110.5D65 D66D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 3.07Å; D63-D65 PolarHBondContact OD1-N 3.45Å; D63-D66 HydrophobicContact CB-CB 4.32Å; D63-D66 PolarHBondContact O-N 3.08Å
64P83.8Confident96.2Very high119 Ų11941.5 Ų41.577%0.77323%0.228SC*.THydrogen-bonded Turntrans-72-19.1-176.530.8-36.5000113.9E62 D66E62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-D66 VanDerWaalsContact C-N 3.31Å
65D91.1Very high96.2Very high152 Ų15242.5 Ų42.581%0.81323%0.233SC*.THydrogen-bonded Turntrans-81.6-16.1179.5-69.5-34.5000112D63D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 3.07Å; D63-D65 PolarHBondContact OD1-N 3.45Å
66D91.6Very high96.1Very high81 Ų8142.7 Ų42.743%0.43323%0.234SC..SBendtrans-89.8153.4179.3-96.9-8.9000113.1D63 P64 H69D63-D66 HydrophobicContact CB-CB 4.32Å; D63-D66 PolarHBondContact O-N 3.08Å; P64-D66 VanDerWaalsContact C-N 3.31Å; D66-H69 IonicContact OD2-CE1 3.56Å; D66-H69 PolarHBondContact OD2-CE1 2.91Å
67V95.3Very high96.1Very high81 Ų8143.4 Ų43.449%0.49124%0.239SC..PPolyproline II helixtrans-64.5139.9168.1-62.30000109.4H69 K105 Y106V67-H69 PolarHBondContact O-N 3.34Å; V67-H69 VanDerWaalsContact O-N 3.12Å; V67-H69 PolarHBondContact O-ND1 3.37Å; V67-K105 HydrophobicContact CB-CG 4.2Å; V67-K105 HydrophobicContact CG2-CB 4.31Å; V67-K105 HydrophobicContact CG2-CG 4.35Å; V67-Y106 HydrophobicContact CG2-CD1 4.08Å; V67-Y106 HydrophobicContact CG2-CE1 3.54Å
68P96.9Very high96.1Very high66 Ų6644.6 Ų44.643%0.42924%0.244SC..PPolyproline II helixtrans-54.5122.9-179.4-28.134.3000111.2M60 A104 K105M60-P68 HydrophobicContact CE-CB 4.33Å; P68-A104 CarbonylContact O-C 3.49Å; P68-A104 VanDerWaalsContact O-CA 3.32Å; P68-A104 WeakPolarHBondContact O-CA 3.49Å; P68-K105 PolarHBondContact O-N 3.5Å
69H98.3Very high96Very high11 Ų1154.8 Ų54.85%0.05128%0.282CS..  trans-148.1148.4-178.268.2-86.3000111.6M60 E61 D66 V67 Y106M60-H69 VanDerWaalsContact CE-C 3.42Å; M60-H69 VanDerWaalsContact CE-O 3.29Å; M60-H69 WeakPolarHBondContact CE-O 3.38Å; E61-H69 WeakPolarHBondContact CG-NE2 3.28Å; E61-H69 PolarHBondContact N-O 3.41Å; D66-H69 IonicContact OD2-CE1 3.56Å; D66-H69 PolarHBondContact OD2-CE1 2.91Å; V67-H69 PolarHBondContact O-N 3.34Å; V67-H69 VanDerWaalsContact O-N 3.12Å; V67-H69 PolarHBondContact O-ND1 3.37Å; H69-Y106 WeakPolarHBondContact CA-O 3.37Å; H69-Y106 HydrophobicContact CB-CD1 3.72Å; H69-Y106 HydrophobicContact CB-CD2 3.76Å; H69-Y106 HydrophobicContact CB-CE1 3.57Å; H69-Y106 HydrophobicContact CB-CE2 3.63Å; H69-Y106 HydrophobicContact CB-CG 3.82Å; H69-Y106 WeakPolarHBondContact CB-O 3.19Å; H69-Y106 AromaticContact CD2-CE2 3.28Å; H69-Y106 WeakPolarHBondContact CD2-CE2 3.5Å; H69-Y106 AromaticContact CD2-CZ 3.49Å; H69-Y106 VanDerWaalsContact CD2-CZ 3.49Å; H69-Y106 AromaticContact CE1-CZ 3.9Å; H69-Y106 PolarHBondContact CE1-OH 3.44Å; H69-Y106 VanDerWaalsContact CE1-OH 3.32Å; H69-Y106 AromaticContact CG-CE1 3.78Å; H69-Y106 AromaticContact CG-CE2 3.48Å; H69-Y106 VanDerWaalsContact CG-CE2 3.48Å; H69-Y106 AromaticContact CG-CZ 3.28Å; H69-Y106 AromaticContact ND1-CZ 3.58Å; H69-Y106 PolarHBondContact ND1-OH 3.41Å; H69-Y106 AromaticContact NE2-CE2 3.89Å; H69-Y106 AromaticContact NE2-CZ 3.83Å; H69-Y106 PolarHBondContact NE2-OH 3.38Å
70G98.6Very high95.9Very high0 Ų058.1 Ų58.10%031%0.309CS..EExtended strand (participates in β ladder)trans-85.815917800000111.9K59 Y106 V107 S108K59-G70 CarbonylContact O-C 3.46Å; K59-G70 WeakPolarHBondContact O-CA 3.31Å; G70-Y106 PolarHBondContact N-O 3.14Å; G70-V107 CarbonylContact O-C 3.53Å; G70-V107 VanDerWaalsContact O-CA 3.27Å; G70-V107 WeakPolarHBondContact O-CA 3.35Å; G70-S108 PolarHBondContact O-N 2.82Å; G70-S108 PolarHBondContact O-OG 3.31Å
71H98.8Very high95.8Very high21 Ų2159.3 Ų59.310%0.09731%0.314CS..EExtended strand (participates in β ladder)trans-131.3136.1172.7-175.783.6000110.8A58 K59 E61 T73 S108 H110A58-H71 WeakPolarHBondContact CA-O 3.46Å; K59-H71 HydrophobicContact CG-CB 3.95Å; K59-H71 PolarHBondContact N-O 3.4Å; K59-H71 PolarHBondContact O-N 3.15Å; E61-H71 HydrophobicContact CG-CB 4.13Å; E61-H71 VanDerWaalsContact OE1-CB 3.27Å; E61-H71 WeakPolarHBondContact OE1-CB 3.41Å; E61-H71 IonicContact OE1-CD2 2.96Å; E61-H71 IonicContact OE1-CG 2.79Å; E61-H71 VanDerWaalsContact OE1-CG 3.3Å; E61-H71 IonicContact OE1-ND1 3.24Å; H71-T73 PolarHBondContact O-N 2.79Å; H71-S108 WeakPolarHBondContact CA-O 3.21Å; H71-S108 PolarHBondContact ND1-OG 3.43Å; H71-S108 VanDerWaalsContact ND1-OG 3.08Å; H71-H110 AromaticContact CE1-ND1 3.54Å
72I98.8Very high95.7Very high8 Ų862.1 Ų62.14%0.04132%0.322CS..EExtended strand (participates in β ladder)trans-93.196.9173.9-51.9-62.6000109V56 A58 L75 M91 M98 V107 S108 L109V56-I72 HydrophobicContact CG2-CD1 4.05Å; V56-I72 HydrophobicContact CG2-CG2 4.06Å; A58-I72 HydrophobicContact CB-CD1 4.02Å; I72-L75 HydrophobicContact CG2-CB 4.19Å; I72-M91 HydrophobicContact CD1-CE 3.86Å; I72-M91 HydrophobicContact CD1-SD 3.74Å; I72-M91 HydrophobicContact CG1-CE 3.57Å; I72-M91 HydrophobicContact CG1-SD 3.85Å; I72-M91 HydrophobicContact CG2-SD 4.06Å; I72-M98 HydrophobicContact CD1-CE 3.9Å; I72-V107 HydrophobicContact CD1-CG2 3.84Å; I72-V107 HydrophobicContact CG1-CG2 3.67Å; I72-S108 PolarHBondContact N-O 3.4Å; I72-L109 HydrophobicContact CB-CB 4.01Å; I72-L109 HydrophobicContact CG1-CD2 4.47Å
73T98.5Very high95.9Very high16 Ų1667.5 Ų67.510%0.09834%0.338CS..EExtended strand (participates in β ladder)trans-63.6-44176.4-51.40000111.4Y26 Y30 H34 L57 H71Y26-T73 PolarHBondContact OH-O 2.96Å; Y30-T73 HydrophobicContact CE1-CG2 3.64Å; H34-T73 PolarHBondContact NE2-OG1 3.06Å; L57-T73 HydrophobicContact CD2-CG2 4.04Å; L57-T73 PolarHBondContact O-N 2.72Å; L57-T73 VanDerWaalsContact O-N 3.09Å; H71-T73 PolarHBondContact O-N 2.79Å
74S98.6Very high96Very high8 Ų867.9 Ų67.96%0.05634%0.339CS..EExtended strand (participates in β ladder)trans-158.7137.2-177.6-166.70000112.7L22 Y55 V56 L57L22-S74 WeakPolarHBondContact CD1-OG 3.2Å; Y55-S74 PolarHBondContact OH-OG 3.15Å; V56-S74 WeakPolarHBondContact CA-O 3.38Å; L57-S74 PolarHBondContact N-O 3.45Å; L57-S74 PolarHBondContact O-N 3.3Å; L57-S74 VanDerWaalsContact O-N 3.12Å
75L98.6Very high96.6Very high20 Ų2063.9 Ų63.911%0.10532%0.319CS..EExtended strand (participates in β ladder)trans-137122.3176.9177.274.4000109.3Y55 V56 I72 A87 L90 M91 L121 Y122Y55-L75 WeakPolarHBondContact O-CD1 3.18Å; V56-L75 HydrophobicContact CB-CD1 3.74Å; V56-L75 HydrophobicContact CG2-CD1 4.06Å; I72-L75 HydrophobicContact CG2-CB 4.19Å; L75-A87 HydrophobicContact CD2-CB 4.26Å; L75-L90 HydrophobicContact CD1-CB 4.33Å; L75-L90 HydrophobicContact CD1-CD1 4.47Å; L75-M91 HydrophobicContact CD1-CG 4.16Å; L75-M91 HydrophobicContact CD1-SD 4.26Å; L75-M91 HydrophobicContact CD2-CG 3.81Å; L75-M91 HydrophobicContact CD2-SD 3.89Å; L75-L121 HydrophobicContact CD2-CD2 4Å; L75-Y122 HydrophobicContact CD2-CE1 3.92Å
76A98.1Very high97Very high5 Ų557 Ų574%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-141.8146.4177.400000112.4C21 L22 G54 Y55C21-A76 HydrophobicContact CB-CB 3.68Å; L22-A76 HydrophobicContact CD1-CB 4.01Å; L22-A76 HydrophobicContact CG-CB 4.21Å; G54-A76 CarbonylContact C-O 3.5Å; G54-A76 WeakPolarHBondContact CA-O 3.38Å; Y55-A76 HydrophobicContact CD1-CB 4.27Å; Y55-A76 HydrophobicContact CE1-CB 3.63Å; Y55-A76 PolarHBondContact N-O 2.88Å; Y55-A76 PolarHBondContact O-N 2.92Å; Y55-A76 VanDerWaalsContact O-N 3.08Å
77V98.3Very high97.3Very high15 Ų1554 Ų549%0.09127%0.269CS..EExtended strand (participates in β ladder)trans-133.8127.1168.4-178.90000108H81 R82 L86 A87V77-H81 HydrophobicContact CG1-CB 4.09Å; V77-H81 WeakPolarHBondContact CG1-O 3.46Å; V77-R82 HydrophobicContact CB-CG 4.37Å; V77-R82 HydrophobicContact CG1-CG 4.23Å; V77-R82 PolarHBondContact O-NE 3.46Å; V77-L86 HydrophobicContact CG1-CB 4.43Å; V77-L86 HydrophobicContact CG1-CD1 4.11Å; V77-L86 HydrophobicContact CG2-CB 4.2Å; V77-A87 HydrophobicContact CG2-CB 4.04Å
78K98.1Very high97.4Very high25 Ų2553.8 Ų53.811%0.10926%0.263CS..  trans-53.7139.6177.2-71.8-174.6179.5164.40109.9I52 V53 S80 H81 R82I52-K78 VanDerWaalsContact O-CE 3.29Å; I52-K78 WeakPolarHBondContact O-CE 3.46Å; I52-K78 PolarHBondContact O-NZ 3.37Å; V53-K78 WeakPolarHBondContact O-CB 3.44Å; V53-K78 PolarHBondContact O-N 3.09Å; K78-S80 PolarHBondContact O-N 3.5Å; K78-S80 VanDerWaalsContact O-N 3.12Å; K78-H81 CarbonylContact O-C 3.56Å; K78-H81 PolarHBondContact O-N 3.12Å; K78-R82 PolarHBondContact O-N 3.31Å
79R96.3Very high97.4Very high214 Ų21456.3 Ų56.381%0.80827%0.267SS*.G310 helixtrans-53.1-39.1-174-171.9176.6-178.1173.50.5113.2H81 R82R79-H81 PolarHBondContact O-N 3.39Å; R79-R82 PolarHBondContact O-N 3.01Å
80S96.9Very high97.4Very high98 Ų9855.8 Ų55.869%0.68526%0.264SS*.G310 helixtrans-62.8-16.1177.2470000114.7K78K78-S80 PolarHBondContact O-N 3.5Å; K78-S80 VanDerWaalsContact O-N 3.12Å
81H97.1Very high97.4Very high36 Ų3655.8 Ų55.817%0.16726%0.264CS..G310 helixtrans-121.611.7-175.8-64.178.9000112.7M1 V53 V77 K78 R79 L84 L86M1-H81 WeakPolarHBondContact CE-CD2 3.2Å; M1-H81 WeakPolarHBondContact CE-NE2 3.45Å; V53-H81 HydrophobicContact CB-CB 4.07Å; V53-H81 HydrophobicContact CG2-CB 4.32Å; V77-H81 HydrophobicContact CG1-CB 4.09Å; V77-H81 WeakPolarHBondContact CG1-O 3.46Å; K78-H81 CarbonylContact O-C 3.56Å; K78-H81 PolarHBondContact O-N 3.12Å; R79-H81 PolarHBondContact O-N 3.39Å; H81-L84 HydrophobicContact CB-CD1 4.45Å; H81-L86 HydrophobicContact CB-CD1 4.14Å
82R94.9Very high97.4Very high120 Ų12057.1 Ų57.145%0.45327%0.272SS..THydrogen-bonded Turntrans-73164.6174.3-69-179-174.7179.2-1.1110.6V77 K78 R79 L84V77-R82 HydrophobicContact CB-CG 4.37Å; V77-R82 HydrophobicContact CG1-CG 4.23Å; V77-R82 PolarHBondContact O-NE 3.46Å; K78-R82 PolarHBondContact O-N 3.31Å; R79-R82 PolarHBondContact O-N 3.01Å; R82-L84 PolarHBondContact O-N 2.98Å
83R93.2Very high97.4Very high234 Ų23460.4 Ų60.488%0.88329%0.288SS*.THydrogen-bonded Turntrans64.612-178.3-51.9-63.3-157.8-116.30.3115.3
84L94.9Very high97.4Very high96 Ų9659.7 Ų59.750%0.50328%0.283SS..SBendtrans-97.19.8173.5-59.9178.9000113.5H81 R82 L86H81-L84 HydrophobicContact CB-CD1 4.45Å; R82-L84 PolarHBondContact O-N 2.98Å; L84-L86 HydrophobicContact CB-CG 4.12Å; L84-L86 PolarHBondContact O-N 2.95Å
85G96.3Very high97.4Very high34 Ų3459.3 Ų59.335%0.35128%0.28SS..SBendtrans71.18.2-177.500000115.3A87 Q88 K89G85-A87 PolarHBondContact O-N 2.69Å; G85-Q88 PolarHBondContact O-N 3.05Å; G85-K89 WeakPolarHBondContact O-CG 3.4Å; G85-K89 PolarHBondContact O-N 3.27Å; G85-K89 VanDerWaalsContact O-N 3.15Å
86L98.1Very high97.4Very high8 Ų862.3 Ų62.34%0.04229%0.29CS..Hα-helixtrans-60.5-44.4-175.8-63.6179000113.1M1 I3 A45 V53 V77 H81 L84 Q88 K89 L90M1-L86 HydrophobicContact CB-CD2 3.99Å; M1-L86 HydrophobicContact CG-CD1 4.48Å; M1-L86 HydrophobicContact CG-CD2 4.37Å; I3-L86 HydrophobicContact CD1-CD2 4.23Å; A45-L86 HydrophobicContact CB-CD1 4.33Å; A45-L86 HydrophobicContact CB-CD2 4.37Å; V53-L86 HydrophobicContact CG2-CD1 4.12Å; V77-L86 HydrophobicContact CG1-CB 4.43Å; V77-L86 HydrophobicContact CG1-CD1 4.11Å; V77-L86 HydrophobicContact CG2-CB 4.2Å; H81-L86 HydrophobicContact CB-CD1 4.14Å; L84-L86 HydrophobicContact CB-CG 4.12Å; L84-L86 PolarHBondContact O-N 2.95Å; L86-Q88 VanDerWaalsContact C-N 3.29Å; L86-Q88 PolarHBondContact O-N 2.9Å; L86-K89 PolarHBondContact O-N 2.87Å; L86-L90 WeakPolarHBondContact O-CB 3.47Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.34Å; L86-L90 PolarHBondContact O-N 2.86Å
87A97.8Very high97.5Very high18 Ų1862.2 Ų62.215%0.14929%0.289CS..Hα-helixtrans-60-40.7-179.400000112L75 V77 G85 M91 L121L75-A87 HydrophobicContact CD2-CB 4.26Å; V77-A87 HydrophobicContact CG2-CB 4.04Å; G85-A87 PolarHBondContact O-N 2.69Å; A87-M91 WeakPolarHBondContact O-CB 3.33Å; A87-M91 WeakPolarHBondContact O-CG 3.33Å; A87-M91 PolarHBondContact O-N 3.36Å; A87-M91 VanDerWaalsContact O-N 3.08Å; A87-L121 HydrophobicContact CB-CD1 4.29Å; A87-L121 HydrophobicContact CB-CD2 3.71Å
88Q97.4Very high97.5Very high77 Ų7761.5 Ų61.536%0.3629%0.285SS..Hα-helixtrans-63.9-50.3175.8174.71790.600111.2G85 L86 L90 M91 D92 T125 L126G85-Q88 PolarHBondContact O-N 3.05Å; L86-Q88 VanDerWaalsContact C-N 3.29Å; L86-Q88 PolarHBondContact O-N 2.9Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 3.1Å; Q88-M91 PolarHBondContact O-N 2.8Å; Q88-M91 VanDerWaalsContact O-N 3.16Å; Q88-D92 WeakPolarHBondContact CG-OD2 3.38Å; Q88-D92 VanDerWaalsContact O-CG 3.28Å; Q88-D92 PolarHBondContact O-N 3.01Å; Q88-T125 HydrophobicContact CB-CG2 4.34Å; Q88-T125 HydrophobicContact CG-CG2 4.23Å; Q88-L126 HydrophobicContact CB-CD2 4.24Å; Q88-L126 HydrophobicContact CG-CD2 3.86Å
89K98.4Very high97.5Very high118 Ų11861 Ų6151%0.51328%0.283SS..Hα-helixtrans-60.3-39.8-179.6-67.8176.8179.7-179.40112.5I3 G85 L86 D92 Q93I3-K89 HydrophobicContact CD1-CB 3.37Å; I3-K89 HydrophobicContact CD1-CD 3.79Å; I3-K89 HydrophobicContact CD1-CG 4.23Å; G85-K89 WeakPolarHBondContact O-CG 3.4Å; G85-K89 PolarHBondContact O-N 3.27Å; G85-K89 VanDerWaalsContact O-N 3.15Å; L86-K89 PolarHBondContact O-N 2.87Å; K89-D92 PolarHBondContact O-N 2.86Å; K89-Q93 VanDerWaalsContact O-CG 3.31Å; K89-Q93 WeakPolarHBondContact O-CG 3.48Å; K89-Q93 PolarHBondContact O-N 3.05Å; K89-Q93 VanDerWaalsContact O-N 3.08Å
90L98.8Very high97.6Very high0 Ų055.9 Ų55.90%027%0.269CS..Hα-helixtrans-61.7-47.8175-73.3167.2000111.3I3 A45 V56 L75 L86 Q88 D92 Q93 A94I3-L90 HydrophobicContact CG2-CD2 4.04Å; A45-L90 HydrophobicContact CB-CD1 4.31Å; A45-L90 HydrophobicContact CB-CD2 4.4Å; V56-L90 HydrophobicContact CB-CB 4.18Å; V56-L90 HydrophobicContact CG1-CB 3.92Å; V56-L90 HydrophobicContact CG1-CD2 4.36Å; L75-L90 HydrophobicContact CD1-CB 4.33Å; L75-L90 HydrophobicContact CD1-CD1 4.47Å; L86-L90 WeakPolarHBondContact O-CB 3.47Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.34Å; L86-L90 PolarHBondContact O-N 2.86Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 3.1Å; L90-D92 PolarHBondContact O-N 3.45Å; L90-Q93 PolarHBondContact O-N 2.97Å; L90-A94 PolarHBondContact O-N 2.92Å
91M98.6Very high97.7Very high0 Ų054.9 Ų54.90%026%0.256CS..Hα-helixtrans-63.2-39.8178.4-71.9-70.9-64.600112.7V56 I72 L75 A87 Q88 A94 S95 L109 Y122 L126 F128V56-M91 HydrophobicContact CG2-SD 4.07Å; I72-M91 HydrophobicContact CD1-CE 3.86Å; I72-M91 HydrophobicContact CD1-SD 3.74Å; I72-M91 HydrophobicContact CG1-CE 3.57Å; I72-M91 HydrophobicContact CG1-SD 3.85Å; I72-M91 HydrophobicContact CG2-SD 4.06Å; L75-M91 HydrophobicContact CD1-CG 4.16Å; L75-M91 HydrophobicContact CD1-SD 4.26Å; L75-M91 HydrophobicContact CD2-CG 3.81Å; L75-M91 HydrophobicContact CD2-SD 3.89Å; A87-M91 WeakPolarHBondContact O-CB 3.33Å; A87-M91 WeakPolarHBondContact O-CG 3.33Å; A87-M91 PolarHBondContact O-N 3.36Å; A87-M91 VanDerWaalsContact O-N 3.08Å; Q88-M91 PolarHBondContact O-N 2.8Å; Q88-M91 VanDerWaalsContact O-N 3.16Å; M91-A94 PolarHBondContact O-N 2.84Å; M91-S95 WeakPolarHBondContact O-CB 3.44Å; M91-S95 PolarHBondContact O-N 2.83Å; M91-S95 PolarHBondContact O-OG 2.84Å; M91-L109 HydrophobicContact CE-CD2 4.35Å; M91-Y122 HydrophobicContact CE-CE1 4.38Å; M91-L126 HydrophobicContact CB-CD1 3.99Å; M91-L126 HydrophobicContact CB-CD2 4.1Å; M91-L126 HydrophobicContact CE-CD1 4.21Å; M91-L126 HydrophobicContact CG-CD1 3.77Å; M91-F128 HydrophobicContact CE-CE2 3.73Å; M91-F128 HydrophobicContact CE-CZ 3.59Å
92D98.3Very high97.7Very high49 Ų4956.2 Ų56.226%0.26226%0.261SS..Hα-helixtrans-67.3-38.9178.6-67.4-21.7000111.5Q88 K89 L90 R96 R149Q88-D92 WeakPolarHBondContact CG-OD2 3.38Å; Q88-D92 VanDerWaalsContact O-CG 3.28Å; Q88-D92 PolarHBondContact O-N 3.01Å; K89-D92 PolarHBondContact O-N 2.86Å; L90-D92 PolarHBondContact O-N 3.45Å; D92-R96 VanDerWaalsContact O-CB 3.31Å; D92-R96 WeakPolarHBondContact O-CB 3.43Å; D92-R96 PolarHBondContact O-N 2.82Å; D92-R149 IonicContact OD1-NH1 3.97Å; D92-R149 PolarHBondContact OD1-NH1 3.07Å; D92-R149 IonicContact OD1-NH2 3.13Å
93Q98.8Very high97.8Very high78 Ų7854.3 Ų54.336%0.36426%0.26SS..Hα-helixtrans-64.4-48.4173.2-71.4-63.3-37.800112.2I3 Y43 K89 L90 S95 R96 A97I3-Q93 HydrophobicContact CG2-CG 4.29Å; Y43-Q93 HydrophobicContact CD1-CB 3.69Å; Y43-Q93 HydrophobicContact CD1-CG 4.17Å; Y43-Q93 HydrophobicContact CD2-CB 4.03Å; Y43-Q93 HydrophobicContact CE1-CB 3.64Å; Y43-Q93 HydrophobicContact CE1-CG 4.08Å; Y43-Q93 HydrophobicContact CE2-CB 3.99Å; Y43-Q93 HydrophobicContact CG-CB 3.9Å; K89-Q93 VanDerWaalsContact O-CG 3.31Å; K89-Q93 WeakPolarHBondContact O-CG 3.48Å; K89-Q93 PolarHBondContact O-N 3.05Å; K89-Q93 VanDerWaalsContact O-N 3.08Å; L90-Q93 PolarHBondContact O-N 2.97Å; Q93-S95 PolarHBondContact O-N 2.62Å; Q93-R96 PolarHBondContact O-N 2.86Å; Q93-A97 PolarHBondContact O-N 2.95Å
94A98.8Very high98Very high0 Ų043.3 Ų43.30%022%0.219CC..Hα-helixtrans-60-45.5178.300000111.7L41 Y43 V56 L90 M91 A97 M98L41-A94 WeakPolarHBondContact O-CB 3.26Å; Y43-A94 HydrophobicContact CD2-CB 4.47Å; V56-A94 HydrophobicContact CG1-CB 4.01Å; V56-A94 HydrophobicContact CG2-CB 4.36Å; L90-A94 PolarHBondContact O-N 2.92Å; M91-A94 PolarHBondContact O-N 2.84Å; A94-A97 PolarHBondContact O-N 2.72Å; A94-M98 VanDerWaalsContact O-CG 3.26Å; A94-M98 WeakPolarHBondContact O-CG 3.2Å; A94-M98 PolarHBondContact O-N 2.81Å
95S98.7Very high98.2Very high0 Ų042.5 Ų42.50%021%0.212CC..Hα-helixtrans-67.2-37.4178.7-67.90000113.6M91 Q93 A97 M98 I99 R149M91-S95 WeakPolarHBondContact O-CB 3.44Å; M91-S95 PolarHBondContact O-N 2.83Å; M91-S95 PolarHBondContact O-OG 2.84Å; Q93-S95 PolarHBondContact O-N 2.62Å; S95-A97 VanDerWaalsContact C-N 3.32Å; S95-A97 PolarHBondContact O-N 3.21Å; S95-M98 WeakPolarHBondContact O-CB 3.28Å; S95-M98 PolarHBondContact O-N 2.93Å; S95-I99 WeakPolarHBondContact O-CG1 3.42Å; S95-I99 PolarHBondContact O-N 3.44Å; S95-I99 VanDerWaalsContact O-N 3.1Å; S95-R149 PolarHBondContact OG-NH2 3.2Å
96R98.7Very high98.3Very high83 Ų8342.3 Ų42.331%0.31320%0.2SC..Hα-helixtrans-59.1-46.6171.2177.4174.4179.8156.38.4111D92 Q93 M98 I99 E100 L158D92-R96 VanDerWaalsContact O-CB 3.31Å; D92-R96 WeakPolarHBondContact O-CB 3.43Å; D92-R96 PolarHBondContact O-N 2.82Å; Q93-R96 PolarHBondContact O-N 2.86Å; R96-M98 VanDerWaalsContact C-N 3.33Å; R96-M98 PolarHBondContact O-N 2.91Å; R96-I99 PolarHBondContact O-N 3.24Å; R96-E100 HydrophobicContact CG-CG 4.32Å; R96-E100 IonicContact CZ-OE1 3.83Å; R96-E100 VanDerWaalsContact CZ-OE1 3.28Å; R96-E100 IonicContact NE-OE1 3.53Å; R96-E100 PolarHBondContact NE-OE1 3.33Å; R96-E100 IonicContact NE-OE2 3.57Å; R96-E100 IonicContact NH2-OE1 3.31Å; R96-E100 PolarHBondContact NH2-OE1 3.39Å; R96-E100 WeakPolarHBondContact O-CG 3.26Å; R96-E100 PolarHBondContact O-N 2.99Å; R96-L158 HydrophobicContact CG-CD1 4Å; R96-L158 HydrophobicContact CG-CD2 4.29Å
97A98.7Very high98.3Very high3 Ų341.9 Ų41.93%0.02520%0.198CC..Hα-helixtrans-62.8-37.5177.700000112.5Q40 L41 Y43 Q93 A94 S95 I99 E100 N101Q40-A97 WeakPolarHBondContact O-CB 3.34Å; L41-A97 HydrophobicContact CD2-CB 3.73Å; Y43-A97 HydrophobicContact CE2-CB 4.2Å; Q93-A97 PolarHBondContact O-N 2.95Å; A94-A97 PolarHBondContact O-N 2.72Å; S95-A97 VanDerWaalsContact C-N 3.32Å; S95-A97 PolarHBondContact O-N 3.21Å; A97-I99 VanDerWaalsContact C-N 3.32Å; A97-I99 PolarHBondContact O-N 2.88Å; A97-E100 PolarHBondContact O-N 3.21Å; A97-N101 WeakPolarHBondContact O-CB 3.46Å; A97-N101 PolarHBondContact O-N 3.42Å; A97-N101 PolarHBondContact O-ND2 2.89Å
98M98.8Very high98.4Very high0 Ų041.7 Ų41.70%020%0.196CC..Hα-helixtrans-59.5-41.8173.6-69.3165.3175.400112L41 A58 M60 I72 A94 S95 R96 F102 N103 A104 V107L41-M98 HydrophobicContact CD1-CG 4.08Å; L41-M98 HydrophobicContact CD2-CB 4.33Å; L41-M98 HydrophobicContact CD2-CG 3.76Å; L41-M98 HydrophobicContact CG-CG 4.48Å; A58-M98 HydrophobicContact CB-CE 3.62Å; M60-M98 HydrophobicContact SD-CB 4.33Å; M60-M98 HydrophobicContact SD-CG 4.21Å; I72-M98 HydrophobicContact CD1-CE 3.9Å; A94-M98 VanDerWaalsContact O-CG 3.26Å; A94-M98 WeakPolarHBondContact O-CG 3.2Å; A94-M98 PolarHBondContact O-N 2.81Å; S95-M98 WeakPolarHBondContact O-CB 3.28Å; S95-M98 PolarHBondContact O-N 2.93Å; R96-M98 VanDerWaalsContact C-N 3.33Å; R96-M98 PolarHBondContact O-N 2.91Å; M98-F102 CarbonylContact O-C 3.55Å; M98-F102 WeakPolarHBondContact O-CA 3.12Å; M98-F102 WeakPolarHBondContact O-CB 3.49Å; M98-F102 PolarHBondContact O-N 2.88Å; M98-F102 VanDerWaalsContact O-N 3.12Å; M98-N103 PolarHBondContact O-N 2.95Å; M98-A104 HydrophobicContact CB-CB 3.69Å; M98-A104 WeakPolarHBondContact O-CB 3.32Å; M98-A104 PolarHBondContact O-N 3.1Å; M98-V107 HydrophobicContact CE-CG2 3.98Å; M98-V107 HydrophobicContact SD-CB 4.01Å; M98-V107 HydrophobicContact SD-CG2 3.84Å
99I98.6Very high98.4Very high15 Ų1538.1 Ų38.18%0.07718%0.179CC..Hα-helixtrans-68.5-52.4177.7-62.9161.7000110.5S95 R96 A97 N101 N103 L151 M154 A155 L158S95-I99 WeakPolarHBondContact O-CG1 3.42Å; S95-I99 PolarHBondContact O-N 3.44Å; S95-I99 VanDerWaalsContact O-N 3.1Å; R96-I99 PolarHBondContact O-N 3.24Å; A97-I99 VanDerWaalsContact C-N 3.32Å; A97-I99 PolarHBondContact O-N 2.88Å; I99-N101 PolarHBondContact O-N 2.79Å; I99-N103 VanDerWaalsContact O-CA 3.26Å; I99-N103 WeakPolarHBondContact O-CA 3.33Å; I99-N103 PolarHBondContact O-N 3.18Å; I99-L151 HydrophobicContact CD1-CB 3.99Å; I99-L151 HydrophobicContact CD1-CD1 4.38Å; I99-L151 HydrophobicContact CD1-CD2 4.46Å; I99-L151 HydrophobicContact CG1-CB 4.06Å; I99-L151 HydrophobicContact CG1-CD1 3.99Å; I99-M154 HydrophobicContact CD1-CB 3.82Å; I99-M154 HydrophobicContact CD1-CG 3.58Å; I99-M154 HydrophobicContact CD1-SD 3.6Å; I99-M154 VanDerWaalsContact CD1-SD 3.6Å; I99-A155 HydrophobicContact CD1-CB 4.36Å; I99-A155 HydrophobicContact CG2-CB 3.7Å; I99-L158 HydrophobicContact CB-CD1 4.39Å; I99-L158 HydrophobicContact CD1-CD1 4.12Å; I99-L158 HydrophobicContact CG2-CD1 4.16Å
100E98.3Very high98.4Very high106 Ų10634.8 Ų34.850%0.49517%0.165SC..Hα-helixtrans-67.1-36.9-171.4-71.9175.1163.900112.5R96 A97 L158R96-E100 HydrophobicContact CG-CG 4.32Å; R96-E100 IonicContact CZ-OE1 3.83Å; R96-E100 VanDerWaalsContact CZ-OE1 3.28Å; R96-E100 IonicContact NE-OE1 3.53Å; R96-E100 PolarHBondContact NE-OE1 3.33Å; R96-E100 IonicContact NE-OE2 3.57Å; R96-E100 IonicContact NH2-OE1 3.31Å; R96-E100 PolarHBondContact NH2-OE1 3.39Å; R96-E100 WeakPolarHBondContact O-CG 3.26Å; R96-E100 PolarHBondContact O-N 2.99Å; A97-E100 PolarHBondContact O-N 3.21Å; E100-L158 HydrophobicContact CG-CD1 4.39Å
101N98.2Very high98.4Very high78 Ų7835 Ų3542%0.41717%0.167SC..Hα-helixtrans-96.7-29-174.6-63.2-88.2000113.2A97 I99A97-N101 WeakPolarHBondContact O-CB 3.46Å; A97-N101 PolarHBondContact O-N 3.42Å; A97-N101 PolarHBondContact O-ND2 2.89Å; I99-N101 PolarHBondContact O-N 2.79Å
102F97.5Very high98.4Very high64 Ų6436.7 Ų36.728%0.28117%0.173SC..Hα-helixtrans-131.55.4-169.7-51.5-78000113.8W38 L41 M60 M98 A104W38-F102 AromaticContact CD1-CE1 4Å; W38-F102 AromaticContact CD1-CZ 3.77Å; L41-F102 HydrophobicContact CD1-CD2 4.12Å; L41-F102 HydrophobicContact CD1-CE2 3.88Å; L41-F102 HydrophobicContact CD2-CD2 3.92Å; L41-F102 HydrophobicContact CD2-CE2 3.66Å; L41-F102 HydrophobicContact CG-CD2 4.32Å; L41-F102 HydrophobicContact CG-CE2 3.78Å; M60-F102 HydrophobicContact CE-CB 3.66Å; M60-F102 HydrophobicContact CE-CG 4.44Å; M60-F102 HydrophobicContact CG-CB 3.94Å; M60-F102 HydrophobicContact CG-CD1 4.09Å; M60-F102 HydrophobicContact CG-CD2 3.83Å; M60-F102 HydrophobicContact CG-CE2 4.39Å; M60-F102 HydrophobicContact CG-CG 3.67Å; M60-F102 HydrophobicContact SD-CB 3.69Å; M60-F102 HydrophobicContact SD-CD2 3.94Å; M60-F102 HydrophobicContact SD-CG 3.94Å; M98-F102 CarbonylContact O-C 3.55Å; M98-F102 WeakPolarHBondContact O-CA 3.12Å; M98-F102 WeakPolarHBondContact O-CB 3.49Å; M98-F102 PolarHBondContact O-N 2.88Å; M98-F102 VanDerWaalsContact O-N 3.12Å; F102-A104 PolarHBondContact O-N 3.3Å; F102-A104 VanDerWaalsContact O-N 3.13Å
103N96.9Very high98.4Very high79 Ų7937.9 Ų37.942%0.42218%0.176SC..  trans54.631.6178.8-164.131.9000113.5M98 I99 K105M98-N103 PolarHBondContact O-N 2.95Å; I99-N103 VanDerWaalsContact O-CA 3.26Å; I99-N103 WeakPolarHBondContact O-CA 3.33Å; I99-N103 PolarHBondContact O-N 3.18Å; N103-K105 PolarHBondContact ND2-NZ 2.9Å; N103-K105 WeakPolarHBondContact O-CE 3.46Å; N103-K105 PolarHBondContact O-N 3.38Å; N103-K105 PolarHBondContact O-NZ 3.43Å; N103-K105 PolarHBondContact OD1-NZ 3.18Å
104A98.3Very high98.3Very high3 Ų338 Ų383%0.02519%0.185CC..  trans-55.2134.2-176.400000112M60 P68 M98 F102 L151M60-A104 HydrophobicContact CE-CB 3.88Å; M60-A104 HydrophobicContact SD-CB 4.35Å; P68-A104 CarbonylContact O-C 3.49Å; P68-A104 VanDerWaalsContact O-CA 3.32Å; P68-A104 WeakPolarHBondContact O-CA 3.49Å; M98-A104 HydrophobicContact CB-CB 3.69Å; M98-A104 WeakPolarHBondContact O-CB 3.32Å; M98-A104 PolarHBondContact O-N 3.1Å; F102-A104 PolarHBondContact O-N 3.3Å; F102-A104 VanDerWaalsContact O-N 3.13Å; A104-L151 HydrophobicContact CB-CD1 4.13Å
105K98.1Very high98.2Very high80 Ų8040.9 Ų40.935%0.34820%0.201SC..SBendtrans-87.8-33.9-179.4-55.9-51.1173.4-1520112.7V67 P68 N103 L151V67-K105 HydrophobicContact CB-CG 4.2Å; V67-K105 HydrophobicContact CG2-CB 4.31Å; V67-K105 HydrophobicContact CG2-CG 4.35Å; P68-K105 PolarHBondContact O-N 3.5Å; N103-K105 PolarHBondContact ND2-NZ 2.9Å; N103-K105 WeakPolarHBondContact O-CE 3.46Å; N103-K105 PolarHBondContact O-N 3.38Å; N103-K105 PolarHBondContact O-NZ 3.43Å; N103-K105 PolarHBondContact OD1-NZ 3.18Å; K105-L151 WeakPolarHBondContact O-CB 3.29Å; K105-L151 PolarHBondContact O-N 2.79Å
106Y98.6Very high98.1Very high29 Ų2951 Ų5111%0.11424%0.239CC..EExtended strand (participates in β ladder)trans-147.9172.6175.765.8-91.4000110V67 H69 G70 K148 R149V67-Y106 HydrophobicContact CG2-CD1 4.08Å; V67-Y106 HydrophobicContact CG2-CE1 3.54Å; H69-Y106 WeakPolarHBondContact CA-O 3.37Å; H69-Y106 HydrophobicContact CB-CD1 3.72Å; H69-Y106 HydrophobicContact CB-CD2 3.76Å; H69-Y106 HydrophobicContact CB-CE1 3.57Å; H69-Y106 HydrophobicContact CB-CE2 3.63Å; H69-Y106 HydrophobicContact CB-CG 3.82Å; H69-Y106 WeakPolarHBondContact CB-O 3.19Å; H69-Y106 AromaticContact CD2-CE2 3.28Å; H69-Y106 WeakPolarHBondContact CD2-CE2 3.5Å; H69-Y106 AromaticContact CD2-CZ 3.49Å; H69-Y106 VanDerWaalsContact CD2-CZ 3.49Å; H69-Y106 AromaticContact CE1-CZ 3.9Å; H69-Y106 PolarHBondContact CE1-OH 3.44Å; H69-Y106 VanDerWaalsContact CE1-OH 3.32Å; H69-Y106 AromaticContact CG-CE1 3.78Å; H69-Y106 AromaticContact CG-CE2 3.48Å; H69-Y106 VanDerWaalsContact CG-CE2 3.48Å; H69-Y106 AromaticContact CG-CZ 3.28Å; H69-Y106 AromaticContact ND1-CZ 3.58Å; H69-Y106 PolarHBondContact ND1-OH 3.41Å; H69-Y106 AromaticContact NE2-CE2 3.89Å; H69-Y106 AromaticContact NE2-CZ 3.83Å; H69-Y106 PolarHBondContact NE2-OH 3.38Å; G70-Y106 PolarHBondContact N-O 3.14Å; Y106-K148 HydrophobicContact CD2-CB 4.25Å; Y106-K148 HydrophobicContact CD2-CD 3.96Å; Y106-K148 HydrophobicContact CD2-CG 4.11Å; Y106-K148 HydrophobicContact CE2-CD 3.62Å; Y106-K148 HydrophobicContact CE2-CG 4.08Å; Y106-K148 PolarHBondContact OH-NZ 3.19Å; Y106-K148 VanDerWaalsContact OH-NZ 3.09Å; Y106-R149 CarbonylContact C-O 3.6Å; Y106-R149 WeakPolarHBondContact CA-O 3.44Å; Y106-R149 VanDerWaalsContact CB-O 3.26Å; Y106-R149 WeakPolarHBondContact CB-O 3.22Å
107V98.7Very high97.8Very high0 Ų050.1 Ų50.10%025%0.249CC..EExtended strand (participates in β ladder)trans-124.2136.2168.4560000109.6G70 I72 M98 F128 K148 R149 L151G70-V107 CarbonylContact O-C 3.53Å; G70-V107 VanDerWaalsContact O-CA 3.27Å; G70-V107 WeakPolarHBondContact O-CA 3.35Å; I72-V107 HydrophobicContact CD1-CG2 3.84Å; I72-V107 HydrophobicContact CG1-CG2 3.67Å; M98-V107 HydrophobicContact CE-CG2 3.98Å; M98-V107 HydrophobicContact SD-CB 4.01Å; M98-V107 HydrophobicContact SD-CG2 3.84Å; V107-F128 HydrophobicContact CG1-CE1 3.99Å; V107-F128 HydrophobicContact CG1-CE2 4.46Å; V107-F128 HydrophobicContact CG1-CZ 3.58Å; V107-F128 HydrophobicContact CG2-CZ 4.4Å; V107-F128 WeakPolarHBondContact O-CE1 3.46Å; V107-K148 CarbonylContact O-C 3.56Å; V107-K148 WeakPolarHBondContact O-CA 3.3Å; V107-R149 HydrophobicContact CG1-CB 3.85Å; V107-R149 HydrophobicContact CG1-CG 4.45Å; V107-R149 PolarHBondContact N-O 2.96Å; V107-R149 PolarHBondContact O-N 2.98Å; V107-L151 HydrophobicContact CB-CD1 4.3Å; V107-L151 HydrophobicContact CG1-CD1 4.41Å; V107-L151 HydrophobicContact CG1-CD2 4.14Å; V107-L151 HydrophobicContact CG1-CG 4.38Å
108S98.6Very high97.6Very high14 Ų1450.7 Ų50.710%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-111.7159.8178.866.10000112.3G70 H71 I72 M147G70-S108 PolarHBondContact O-N 2.82Å; G70-S108 PolarHBondContact O-OG 3.31Å; H71-S108 WeakPolarHBondContact CA-O 3.21Å; H71-S108 PolarHBondContact ND1-OG 3.43Å; H71-S108 VanDerWaalsContact ND1-OG 3.08Å; I72-S108 PolarHBondContact N-O 3.4Å; S108-M147 CarbonylContact C-O 3.56Å; S108-M147 VanDerWaalsContact CA-O 3.23Å; S108-M147 WeakPolarHBondContact CA-O 3.24Å
109L98.7Very high97.6Very high2 Ų252.1 Ų52.11%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-161165.4170.762.284.9000111.1I72 M91 V111 Y122 F128 A146 M147I72-L109 HydrophobicContact CB-CB 4.01Å; I72-L109 HydrophobicContact CG1-CD2 4.47Å; M91-L109 HydrophobicContact CE-CD2 4.35Å; L109-V111 HydrophobicContact CD1-CB 4.12Å; L109-V111 HydrophobicContact CD1-CG1 4.24Å; L109-Y122 HydrophobicContact CD1-CD2 3.91Å; L109-Y122 HydrophobicContact CD1-CE2 3.91Å; L109-Y122 HydrophobicContact CD1-CG 4.26Å; L109-Y122 HydrophobicContact CD2-CD1 3.5Å; L109-Y122 VanDerWaalsContact CD2-CD1 3.5Å; L109-Y122 HydrophobicContact CD2-CD2 4.26Å; L109-Y122 HydrophobicContact CD2-CE1 3.37Å; L109-Y122 HydrophobicContact CD2-CE2 4.14Å; L109-Y122 HydrophobicContact CD2-CG 3.98Å; L109-F128 HydrophobicContact CD2-CD1 3.9Å; L109-F128 HydrophobicContact CD2-CE1 3.48Å; L109-F128 VanDerWaalsContact CD2-CE1 3.48Å; L109-F128 HydrophobicContact CD2-CE2 4.32Å; L109-F128 HydrophobicContact CD2-CG 4.48Å; L109-F128 HydrophobicContact CD2-CZ 3.71Å; L109-F128 HydrophobicContact CG-CD1 4.08Å; L109-F128 HydrophobicContact CG-CE1 3.86Å; L109-A146 WeakPolarHBondContact O-CA 3.45Å; L109-M147 HydrophobicContact CD1-CB 3.94Å; L109-M147 HydrophobicContact CD1-CG 4.2Å; L109-M147 HydrophobicContact CD1-SD 4.23Å; L109-M147 HydrophobicContact CG-CB 4.25Å; L109-M147 PolarHBondContact N-O 3.16Å; L109-M147 PolarHBondContact O-N 2.97Å
110H98.6Very high97.4Very high47 Ų4756.6 Ų56.622%0.21828%0.282CS..EExtended strand (participates in β ladder)trans-111.3141.1169.7-64.981.7000111H71 E134 Y137 A144 Y145H71-H110 AromaticContact CE1-ND1 3.54Å; H110-E134 IonicContact CD2-OE1 3.59Å; H110-E134 IonicContact CD2-OE2 3.6Å; H110-E134 PolarHBondContact CD2-OE2 2.72Å; H110-E134 IonicContact CE1-OE1 3.37Å; H110-E134 IonicContact NE2-OE1 2.85Å; H110-E134 PolarHBondContact NE2-OE1 3.06Å; H110-E134 IonicContact NE2-OE2 2.76Å; H110-E134 PolarHBondContact NE2-OE2 3.02Å; H110-Y137 HydrophobicContact CB-CE1 3.93Å; H110-Y137 AromaticContact CD2-CE2 3.72Å; H110-Y137 AromaticContact CD2-CZ 3.76Å; H110-Y137 AromaticContact CG-CZ 3.68Å; H110-Y137 AromaticContact NE2-CE2 3.84Å; H110-A144 HydrophobicContact CB-CB 4.29Å; H110-Y145 WeakPolarHBondContact CA-O 3.48Å
111V98.4Very high97.3Very high5 Ų553.2 Ų53.23%0.0327%0.267CS..EExtended strand (participates in β ladder)trans-140.8134.4176.163.50000111.5L109 K113 N115 A118 L119 Y122 Y138 Y145 M147L109-V111 HydrophobicContact CD1-CB 4.12Å; L109-V111 HydrophobicContact CD1-CG1 4.24Å; V111-K113 PolarHBondContact O-N 3.03Å; V111-N115 HydrophobicContact CG2-CB 4.24Å; V111-A118 HydrophobicContact CG2-CB 3.74Å; V111-L119 HydrophobicContact CG1-CD2 3.71Å; V111-L119 HydrophobicContact CG2-CD2 4.47Å; V111-L119 HydrophobicContact CG2-CG 4.49Å; V111-Y122 HydrophobicContact CB-CD2 4.29Å; V111-Y122 HydrophobicContact CB-CE2 4.26Å; V111-Y122 HydrophobicContact CG1-CD2 4.48Å; V111-Y122 HydrophobicContact CG2-CD2 4.22Å; V111-Y122 HydrophobicContact CG2-CE2 4.14Å; V111-Y138 WeakPolarHBondContact CA-OH 3.32Å; V111-Y145 PolarHBondContact N-O 3.06Å; V111-Y145 PolarHBondContact O-N 3.46Å; V111-M147 HydrophobicContact CG1-CG 4.05Å; V111-M147 HydrophobicContact CG1-SD 3.56Å; V111-M147 VanDerWaalsContact CG1-SD 3.56Å
112R98.4Very high97.3Very high36 Ų3650.5 Ų50.514%0.13625%0.251CS..EExtended strand (participates in β ladder)trans-51.7132.7171-74.2178.8176-87.2-0.2111.5E24 S114 N115 Y138 D140 E142E24-R112 IonicContact OE1-CZ 2.75Å; E24-R112 VanDerWaalsContact OE1-CZ 3.24Å; E24-R112 IonicContact OE1-NE 3.71Å; E24-R112 PolarHBondContact OE1-NE 2.86Å; E24-R112 IonicContact OE1-NH2 2.72Å; E24-R112 PolarHBondContact OE1-NH2 2.96Å; R112-S114 PolarHBondContact O-N 2.93Å; R112-N115 HydrophobicContact CB-CB 4.03Å; R112-N115 PolarHBondContact O-N 2.87Å; R112-Y138 HydrophobicContact CB-CE2 4.04Å; R112-Y138 HydrophobicContact CG-CD1 4.37Å; R112-Y138 HydrophobicContact CG-CD2 3.61Å; R112-Y138 HydrophobicContact CG-CE1 4.05Å; R112-Y138 HydrophobicContact CG-CE2 3.22Å; R112-Y138 HydrophobicContact CG-CG 4.17Å; R112-Y138 VanDerWaalsContact CG-CZ 3.48Å; R112-Y138 PolarHBondContact N-OH 3.44Å; R112-Y138 VanDerWaalsContact N-OH 3.15Å; R112-D140 IonicContact CZ-OD1 3.63Å; R112-D140 IonicContact CZ-OD2 3.81Å; R112-D140 VanDerWaalsContact NH1-CG 3.27Å; R112-D140 IonicContact NH1-OD1 2.91Å; R112-D140 PolarHBondContact NH1-OD1 3.39Å; R112-D140 IonicContact NH1-OD2 3.28Å; R112-D140 PolarHBondContact NH1-OD2 3.03Å; R112-D140 IonicContact NH2-OD1 3.86Å; R112-D140 PolarHBondContact NH2-OD1 3.13Å; R112-D140 IonicContact NH2-OD2 2.79Å; R112-E142 WeakPolarHBondContact CD-OE2 3.08Å; R112-E142 WeakPolarHBondContact CG-OE2 2.83Å; R112-E142 IonicContact CZ-OE2 3.88Å; R112-E142 IonicContact NE-OE2 3.21Å; R112-E142 IonicContact NH1-OE2 3.38Å; R112-E142 PolarHBondContact NH1-OE2 3.45Å
113K97.6Very high97.2Very high74 Ų7449.4 Ų49.432%0.32225%0.251SS..THydrogen-bonded Turntrans-60-31177.5-66.9176.285.4171.40112.2V111 L119 V133 E142 D143 Y145V111-K113 PolarHBondContact O-N 3.03Å; K113-L119 WeakPolarHBondContact O-CD1 3.29Å; K113-V133 HydrophobicContact CD-CG1 4.29Å; K113-E142 PolarHBondContact N-OE1 3.47Å; K113-D143 HydrophobicContact CD-CB 3.37Å; K113-D143 HydrophobicContact CG-CB 4.21Å; K113-D143 IonicContact NZ-OD2 3.96Å; K113-D143 PolarHBondContact NZ-OD2 3.17Å; K113-Y145 HydrophobicContact CB-CD2 4.34Å; K113-Y145 HydrophobicContact CB-CE2 3.95Å; K113-Y145 HydrophobicContact CD-CE1 4.49Å; K113-Y145 HydrophobicContact CD-CE2 4.43Å; K113-Y145 HydrophobicContact CG-CD1 4.47Å; K113-Y145 HydrophobicContact CG-CD2 3.72Å; K113-Y145 HydrophobicContact CG-CE1 4.29Å; K113-Y145 HydrophobicContact CG-CE2 3.53Å; K113-Y145 HydrophobicContact CG-CG 4.21Å
114S97.8Very high97.1Very high79 Ų7950 Ų5055%0.55225%0.254SS*.THydrogen-bonded Turntrans-76.1-17.1177.865.30000114.2R112 R116 E142R112-S114 PolarHBondContact O-N 2.93Å; S114-R116 VanDerWaalsContact C-N 3.33Å; S114-R116 PolarHBondContact O-N 3.41Å; S114-E142 WeakPolarHBondContact CB-OE1 3.43Å; S114-E142 PolarHBondContact N-OE1 3.39Å; S114-E142 PolarHBondContact OG-OE1 3.08Å; S114-E142 PolarHBondContact OG-OE2 3.28Å
115N97.1Very high96.9Very high62 Ų6252.4 Ų52.433%0.33227%0.269SS..  trans-81.174.5-173-169-14.1000112.6V111 R112 A117 A118 L119V111-N115 HydrophobicContact CG2-CB 4.24Å; R112-N115 HydrophobicContact CB-CB 4.03Å; R112-N115 PolarHBondContact O-N 2.87Å; N115-A117 PolarHBondContact O-N 2.93Å; N115-A117 VanDerWaalsContact O-N 3.17Å; N115-A118 HydrophobicContact CB-CB 4.21Å; N115-A118 VanDerWaalsContact CG-CB 3.41Å; N115-A118 WeakPolarHBondContact ND2-CB 3.37Å; N115-A118 PolarHBondContact O-N 3.19Å; N115-A118 WeakPolarHBondContact OD1-CB 3.41Å; N115-A118 PolarHBondContact OD1-N 3.39Å; N115-A118 VanDerWaalsContact OD1-N 3.11Å; N115-L119 WeakPolarHBondContact O-CG 3.48Å; N115-L119 PolarHBondContact O-N 3.5Å
116R95.8Very high96.8Very high213 Ų21348.9 Ų48.980%0.80425%0.254SS*.Hα-helixtrans-55.3-34.7-178.3-65-176.4176.7-175-1.2114.1S114 H120S114-R116 VanDerWaalsContact C-N 3.33Å; S114-R116 PolarHBondContact O-N 3.41Å; R116-H120 WeakPolarHBondContact O-CB 3.46Å; R116-H120 PolarHBondContact O-N 3.07Å
117A92.9Very high96.8Very high63 Ų6354.3 Ų54.352%0.52128%0.278SS..Hα-helixtrans-70.2-44.2-178.900000111.7N115 L121N115-A117 PolarHBondContact O-N 2.93Å; N115-A117 VanDerWaalsContact O-N 3.17Å; A117-L121 PolarHBondContact O-N 3.28Å
118A94.9Very high96.8Very high16 Ų1654.6 Ų54.613%0.13228%0.279CS..Hα-helixtrans-68.7-41.9175.800000111.3V111 N115 H120 L121 Y122V111-A118 HydrophobicContact CG2-CB 3.74Å; N115-A118 HydrophobicContact CB-CB 4.21Å; N115-A118 VanDerWaalsContact CG-CB 3.41Å; N115-A118 WeakPolarHBondContact ND2-CB 3.37Å; N115-A118 PolarHBondContact O-N 3.19Å; N115-A118 WeakPolarHBondContact OD1-CB 3.41Å; N115-A118 PolarHBondContact OD1-N 3.39Å; N115-A118 VanDerWaalsContact OD1-N 3.11Å; A118-H120 VanDerWaalsContact C-N 3.3Å; A118-H120 PolarHBondContact O-N 3.03Å; A118-L121 WeakPolarHBondContact O-CB 3.45Å; A118-L121 PolarHBondContact O-N 3Å; A118-L121 VanDerWaalsContact O-N 3.07Å; A118-Y122 HydrophobicContact CB-CD2 4.08Å; A118-Y122 HydrophobicContact CB-CE2 3.78Å; A118-Y122 WeakPolarHBondContact O-CD2 3.42Å; A118-Y122 PolarHBondContact O-N 2.8Å
119L97.3Very high96.8Very high30 Ų3061 Ų6116%0.15731%0.308CS..Hα-helixtrans-57.7-42.4175.4-72.9169.7000112.4V111 K113 N115 S123 Y145 M147V111-L119 HydrophobicContact CG1-CD2 3.71Å; V111-L119 HydrophobicContact CG2-CD2 4.47Å; V111-L119 HydrophobicContact CG2-CG 4.49Å; K113-L119 WeakPolarHBondContact O-CD1 3.29Å; N115-L119 WeakPolarHBondContact O-CG 3.48Å; N115-L119 PolarHBondContact O-N 3.5Å; L119-S123 VanDerWaalsContact O-CB 3.26Å; L119-S123 WeakPolarHBondContact O-CB 3.27Å; L119-S123 PolarHBondContact O-N 3.47Å; L119-S123 PolarHBondContact O-OG 3.31Å; L119-Y145 HydrophobicContact CD1-CE2 4.45Å; L119-Y145 HydrophobicContact CD2-CD2 3.81Å; L119-Y145 HydrophobicContact CD2-CE2 4.31Å; L119-M147 HydrophobicContact CD2-SD 4.36Å
120H95.7Very high96.7Very high108 Ų10864.8 Ų64.850%0.533%0.327SS..Iπ-helixtrans-63.1-43.8174.5-176.974.4000112.1R116 A118 N124 T125R116-H120 WeakPolarHBondContact O-CB 3.46Å; R116-H120 PolarHBondContact O-N 3.07Å; A118-H120 VanDerWaalsContact C-N 3.3Å; A118-H120 PolarHBondContact O-N 3.03Å; H120-N124 WeakPolarHBondContact O-CA 3.36Å; H120-N124 VanDerWaalsContact O-CB 3.23Å; H120-N124 WeakPolarHBondContact O-CB 3.34Å; H120-N124 PolarHBondContact O-N 3.34Å; H120-T125 PolarHBondContact O-N 2.84Å
121L94.8Very high96.7Very high36 Ų3665.4 Ų65.419%0.18834%0.337CS..Iπ-helixtrans-60.1-52.7176.417267.4000111.3L75 A87 A117 A118 T125 L126L75-L121 HydrophobicContact CD2-CD2 4Å; A87-L121 HydrophobicContact CB-CD1 4.29Å; A87-L121 HydrophobicContact CB-CD2 3.71Å; A117-L121 PolarHBondContact O-N 3.28Å; A118-L121 WeakPolarHBondContact O-CB 3.45Å; A118-L121 PolarHBondContact O-N 3Å; A118-L121 VanDerWaalsContact O-N 3.07Å; L121-T125 HydrophobicContact CD1-CG2 4.46Å; L121-T125 VanDerWaalsContact O-CB 3.27Å; L121-T125 WeakPolarHBondContact O-CB 3.23Å; L121-T125 PolarHBondContact O-N 3.08Å; L121-L126 HydrophobicContact CD1-CD1 4.02Å; L121-L126 HydrophobicContact CD1-CG 4.27Å; L121-L126 HydrophobicContact CD2-CD1 4.49Å; L121-L126 HydrophobicContact CG-CD1 3.92Å; L121-L126 PolarHBondContact O-N 3.12Å
122Y97.9Very high96.6Very high21 Ų2170 Ų708%0.08236%0.357CS..Iπ-helixtrans-68.5-50.8-174.5-63.7-49.2000111.5L75 M91 L109 V111 A118 L126 K127 F128 M147L75-Y122 HydrophobicContact CD2-CE1 3.92Å; M91-Y122 HydrophobicContact CE-CE1 4.38Å; L109-Y122 HydrophobicContact CD1-CD2 3.91Å; L109-Y122 HydrophobicContact CD1-CE2 3.91Å; L109-Y122 HydrophobicContact CD1-CG 4.26Å; L109-Y122 HydrophobicContact CD2-CD1 3.5Å; L109-Y122 VanDerWaalsContact CD2-CD1 3.5Å; L109-Y122 HydrophobicContact CD2-CD2 4.26Å; L109-Y122 HydrophobicContact CD2-CE1 3.37Å; L109-Y122 HydrophobicContact CD2-CE2 4.14Å; L109-Y122 HydrophobicContact CD2-CG 3.98Å; V111-Y122 HydrophobicContact CB-CD2 4.29Å; V111-Y122 HydrophobicContact CB-CE2 4.26Å; V111-Y122 HydrophobicContact CG1-CD2 4.48Å; V111-Y122 HydrophobicContact CG2-CD2 4.22Å; V111-Y122 HydrophobicContact CG2-CE2 4.14Å; A118-Y122 HydrophobicContact CB-CD2 4.08Å; A118-Y122 HydrophobicContact CB-CE2 3.78Å; A118-Y122 WeakPolarHBondContact O-CD2 3.42Å; A118-Y122 PolarHBondContact O-N 2.8Å; Y122-L126 HydrophobicContact CD1-CD1 3.92Å; Y122-L126 HydrophobicContact CE1-CD1 4.33Å; Y122-L126 CarbonylContact O-C 3.45Å; Y122-L126 PolarHBondContact O-N 2.86Å; Y122-K127 PolarHBondContact O-N 3.12Å; Y122-F128 HydrophobicContact CD1-CD2 4.38Å; Y122-F128 HydrophobicContact CD1-CE2 4.49Å; Y122-F128 WeakPolarHBondContact O-CB 3.45Å; Y122-F128 PolarHBondContact O-N 2.9Å; Y122-M147 HydrophobicContact CD2-SD 4.46Å
123S96.6Very high96.6Very high40 Ų4071.5 Ų71.528%0.2837%0.371SS..Iπ-helixtrans-74.3-52.2-177-55.70000112.7L119 K127 M147L119-S123 VanDerWaalsContact O-CB 3.26Å; L119-S123 WeakPolarHBondContact O-CB 3.27Å; L119-S123 PolarHBondContact O-N 3.47Å; L119-S123 PolarHBondContact O-OG 3.31Å; S123-K127 WeakPolarHBondContact O-CA 3.27Å; S123-K127 PolarHBondContact O-N 3.09Å; S123-M147 WeakPolarHBondContact OG-CE 3.28Å
124N95Very high96.6Very high91 Ų9170.2 Ų70.249%0.48737%0.366SS..Iπ-helixtrans-83.7-43-168.5-62.350.8000112.2H120 K127H120-N124 WeakPolarHBondContact O-CA 3.36Å; H120-N124 VanDerWaalsContact O-CB 3.23Å; H120-N124 WeakPolarHBondContact O-CB 3.34Å; H120-N124 PolarHBondContact O-N 3.34Å; N124-K127 WeakPolarHBondContact O-CE 3.36Å; N124-K127 PolarHBondContact O-NZ 3.38Å
125T94.1Very high96.6Very high54 Ų5471.3 Ų71.333%0.33137%0.371SS..Iπ-helixtrans-86.7-50.5-176.3-51.40000111.4Q88 H120 L121Q88-T125 HydrophobicContact CB-CG2 4.34Å; Q88-T125 HydrophobicContact CG-CG2 4.23Å; H120-T125 PolarHBondContact O-N 2.84Å; L121-T125 HydrophobicContact CD1-CG2 4.46Å; L121-T125 VanDerWaalsContact O-CB 3.27Å; L121-T125 WeakPolarHBondContact O-CB 3.23Å; L121-T125 PolarHBondContact O-N 3.08Å
126L96Very high96.7Very high6 Ų676.1 Ų76.13%0.03139%0.389CS..SBendtrans-93-6.6-172.2-66.2172000114Q88 M91 L121 Y122 F128 R149Q88-L126 HydrophobicContact CB-CD2 4.24Å; Q88-L126 HydrophobicContact CG-CD2 3.86Å; M91-L126 HydrophobicContact CB-CD1 3.99Å; M91-L126 HydrophobicContact CB-CD2 4.1Å; M91-L126 HydrophobicContact CE-CD1 4.21Å; M91-L126 HydrophobicContact CG-CD1 3.77Å; L121-L126 HydrophobicContact CD1-CD1 4.02Å; L121-L126 HydrophobicContact CD1-CG 4.27Å; L121-L126 HydrophobicContact CD2-CD1 4.49Å; L121-L126 HydrophobicContact CG-CD1 3.92Å; L121-L126 PolarHBondContact O-N 3.12Å; Y122-L126 HydrophobicContact CD1-CD1 3.92Å; Y122-L126 HydrophobicContact CE1-CD1 4.33Å; Y122-L126 CarbonylContact O-C 3.45Å; Y122-L126 PolarHBondContact O-N 2.86Å; L126-F128 VanDerWaalsContact C-N 3.27Å; L126-F128 HydrophobicContact CB-CD2 3.69Å; L126-F128 HydrophobicContact CB-CE2 3.92Å; L126-F128 HydrophobicContact CD1-CE2 4.39Å; L126-F128 PolarHBondContact O-N 2.83Å; L126-R149 WeakPolarHBondContact O-CD 3.34Å
127K97.6Very high96.7Very high144 Ų14471.1 Ų71.163%0.62637%0.371SS*.  trans61.731176.9-49.8-54.9-174-1700114.3Y122 S123 N124Y122-K127 PolarHBondContact O-N 3.12Å; S123-K127 WeakPolarHBondContact O-CA 3.27Å; S123-K127 PolarHBondContact O-N 3.09Å; N124-K127 WeakPolarHBondContact O-CE 3.36Å; N124-K127 PolarHBondContact O-NZ 3.38Å
128F98.4Very high97Very high5 Ų569.4 Ų69.42%0.02235%0.351CS..  trans-67.1146.9164.2-79.1-106.4000110.2M91 V107 L109 Y122 L126 M147 K148 R149M91-F128 HydrophobicContact CE-CE2 3.73Å; M91-F128 HydrophobicContact CE-CZ 3.59Å; V107-F128 HydrophobicContact CG1-CE1 3.99Å; V107-F128 HydrophobicContact CG1-CE2 4.46Å; V107-F128 HydrophobicContact CG1-CZ 3.58Å; V107-F128 HydrophobicContact CG2-CZ 4.4Å; V107-F128 WeakPolarHBondContact O-CE1 3.46Å; L109-F128 HydrophobicContact CD2-CD1 3.9Å; L109-F128 HydrophobicContact CD2-CE1 3.48Å; L109-F128 VanDerWaalsContact CD2-CE1 3.48Å; L109-F128 HydrophobicContact CD2-CE2 4.32Å; L109-F128 HydrophobicContact CD2-CG 4.48Å; L109-F128 HydrophobicContact CD2-CZ 3.71Å; L109-F128 HydrophobicContact CG-CD1 4.08Å; L109-F128 HydrophobicContact CG-CE1 3.86Å; Y122-F128 HydrophobicContact CD1-CD2 4.38Å; Y122-F128 HydrophobicContact CD1-CE2 4.49Å; Y122-F128 WeakPolarHBondContact O-CB 3.45Å; Y122-F128 PolarHBondContact O-N 2.9Å; L126-F128 VanDerWaalsContact C-N 3.27Å; L126-F128 HydrophobicContact CB-CD2 3.69Å; L126-F128 HydrophobicContact CB-CE2 3.92Å; L126-F128 HydrophobicContact CD1-CE2 4.39Å; L126-F128 PolarHBondContact O-N 2.83Å; F128-M147 HydrophobicContact CB-CB 4.13Å; F128-M147 HydrophobicContact CB-CE 3.67Å; F128-M147 HydrophobicContact CB-SD 4.4Å; F128-M147 HydrophobicContact CD1-CB 3.93Å; F128-M147 HydrophobicContact CG-CB 4.47Å; F128-K148 CarbonylContact C-O 3.6Å; F128-K148 WeakPolarHBondContact CA-O 3.36Å; F128-R149 HydrophobicContact CD1-CB 3.77Å; F128-R149 HydrophobicContact CD2-CB 3.73Å; F128-R149 HydrophobicContact CD2-CG 4.43Å; F128-R149 HydrophobicContact CE1-CB 3.75Å; F128-R149 HydrophobicContact CE2-CB 3.71Å; F128-R149 HydrophobicContact CE2-CG 4.36Å; F128-R149 HydrophobicContact CG-CB 3.76Å; F128-R149 HydrophobicContact CZ-CB 3.73Å
129Q98.4Very high97Very high149 Ų14974.3 Ų74.370%0.69639%0.392SS*.EExtended strand (participates in β ladder)trans-116.4142.6174.7-60.8-177.4-4.600108.7S131 M147 K148Q129-S131 PolarHBondContact O-N 2.83Å; Q129-M147 CarbonylContact O-C 3.57Å; Q129-M147 WeakPolarHBondContact O-CA 3.15Å; Q129-K148 PolarHBondContact N-O 2.96Å; Q129-K148 PolarHBondContact O-N 3Å
130I98.4Very high96.9Very high82 Ų8278.1 Ų78.142%0.42141%0.412SS..EExtended strand (participates in β ladder)trans-70.7121.9173.8-61.1169.8000107.3Y145 M147I130-Y145 HydrophobicContact CD1-CD1 3.85Å; I130-Y145 HydrophobicContact CD1-CD2 4.24Å; I130-Y145 HydrophobicContact CD1-CE1 3.91Å; I130-Y145 HydrophobicContact CD1-CE2 4.28Å; I130-Y145 HydrophobicContact CD1-CG 4.02Å; I130-Y145 HydrophobicContact CG1-CD1 4.21Å; I130-Y145 HydrophobicContact CG1-CG 4.23Å; I130-Y145 HydrophobicContact CG2-CD1 3.53Å; I130-Y145 HydrophobicContact CG2-CE1 4.17Å; I130-Y145 HydrophobicContact CG2-CG 4.2Å; I130-M147 HydrophobicContact CG1-CE 4.01Å; I130-M147 HydrophobicContact CG1-CG 4.3Å
131S97.4Very high97Very high60 Ų6074.7 Ų74.742%0.4241%0.407SS..EExtended strand (participates in β ladder)trans-89.2-44.7173.951.50000111.2Q129 A146Q129-S131 PolarHBondContact O-N 2.83Å; S131-A146 PolarHBondContact N-O 3.27Å; S131-A146 PolarHBondContact OG-O 3.02Å; S131-A146 VanDerWaalsContact OG-O 3.07Å
132E97.2Very high97.1Very high100 Ų10075 Ų7547%0.46741%0.407SS..EExtended strand (participates in β ladder)trans-154.9165.7-17459-168.5151.500111.6E134 A146E132-E134 HydrophobicContact CG-CG 4.44Å; E132-A146 HydrophobicContact CG-CB 3.55Å; E132-A146 PolarHBondContact N-O 3.23Å; E132-A146 PolarHBondContact O-N 2.98Å
133V98.3Very high97.2Very high69 Ų6976.2 Ų76.242%0.41842%0.415SS..EExtended strand (participates in β ladder)trans-111.3121.1171.9-177.60000107.4K113 P135 D143 A144 Y145K113-V133 HydrophobicContact CD-CG1 4.29Å; V133-P135 WeakPolarHBondContact O-CD 3.26Å; V133-D143 HydrophobicContact CG1-CB 4.23Å; V133-A144 CarbonylContact C-O 3.39Å; V133-A144 WeakPolarHBondContact CA-O 3.38Å; V133-Y145 HydrophobicContact CG2-CD1 3.78Å; V133-Y145 HydrophobicContact CG2-CE1 3.65Å
134E97.8Very high97.2Very high47 Ų4774.3 Ų74.322%0.2240%0.402CS..EExtended strand (participates in β ladder)trans-97.8109.3177.5-67.8-176-171.900109.3H110 E132 Y137 D143 A144H110-E134 IonicContact CD2-OE1 3.59Å; H110-E134 IonicContact CD2-OE2 3.6Å; H110-E134 PolarHBondContact CD2-OE2 2.72Å; H110-E134 IonicContact CE1-OE1 3.37Å; H110-E134 IonicContact NE2-OE1 2.85Å; H110-E134 PolarHBondContact NE2-OE1 3.06Å; H110-E134 IonicContact NE2-OE2 2.76Å; H110-E134 PolarHBondContact NE2-OE2 3.02Å; E132-E134 HydrophobicContact CG-CG 4.44Å; E134-Y137 HydrophobicContact CB-CD2 4.25Å; E134-Y137 WeakPolarHBondContact OE2-CD2 3.47Å; E134-Y137 WeakPolarHBondContact OE2-CE2 3.39Å; E134-D143 VanDerWaalsContact O-CA 3.29Å; E134-D143 WeakPolarHBondContact O-CA 3.32Å; E134-A144 HydrophobicContact CB-CB 4.44Å; E134-A144 PolarHBondContact N-O 3Å; E134-A144 PolarHBondContact O-N 3.48Å
135P98Very high97.4Very high102 Ų10272.7 Ų72.766%0.66239%0.389SS*.THydrogen-bonded Turntrans-70.3135.3-175.328.5-33.6000111V133 Y137 D143V133-P135 WeakPolarHBondContact O-CD 3.26Å; P135-Y137 PolarHBondContact O-N 3.48Å; P135-D143 WeakPolarHBondContact CA-OD1 3.44Å
136K97.4Very high97.6Very high163 Ų16370.4 Ų70.471%0.70938%0.376SS*.THydrogen-bonded Turntrans51.938.1178-53.8178.4-178.8178.80114.1D143K136-D143 PolarHBondContact N-OD1 2.86Å
137Y97.8Very high97.8Very high108 Ų10870.1 Ų70.142%0.42437%0.374SS..  trans-64.1-41.9-179.7179.1-97.2000112.6H110 E134 P135 E142 A144H110-Y137 HydrophobicContact CB-CE1 3.93Å; H110-Y137 AromaticContact CD2-CE2 3.72Å; H110-Y137 AromaticContact CD2-CZ 3.76Å; H110-Y137 AromaticContact CG-CZ 3.68Å; H110-Y137 AromaticContact NE2-CE2 3.84Å; E134-Y137 HydrophobicContact CB-CD2 4.25Å; E134-Y137 WeakPolarHBondContact OE2-CD2 3.47Å; E134-Y137 WeakPolarHBondContact OE2-CE2 3.39Å; P135-Y137 PolarHBondContact O-N 3.48Å; Y137-E142 PolarHBondContact N-O 2.97Å; Y137-E142 VanDerWaalsContact N-O 3.17Å; Y137-A144 HydrophobicContact CD1-CB 3.65Å; Y137-A144 HydrophobicContact CD2-CB 4.48Å; Y137-A144 HydrophobicContact CE1-CB 4.44Å; Y137-A144 HydrophobicContact CG-CB 3.65Å
138Y97.4Very high97.8Very high26 Ų2667 Ų6710%0.10236%0.361CS..SBendtrans-85.8154.6-178.8-64.6-77.8000111.8E24 V111 R112 D140 G141 E142 A144E24-Y138 HydrophobicContact CG-CD1 4.19Å; E24-Y138 HydrophobicContact CG-CE1 4.15Å; V111-Y138 WeakPolarHBondContact CA-OH 3.32Å; R112-Y138 HydrophobicContact CB-CE2 4.04Å; R112-Y138 HydrophobicContact CG-CD1 4.37Å; R112-Y138 HydrophobicContact CG-CD2 3.61Å; R112-Y138 HydrophobicContact CG-CE1 4.05Å; R112-Y138 HydrophobicContact CG-CE2 3.22Å; R112-Y138 HydrophobicContact CG-CG 4.17Å; R112-Y138 VanDerWaalsContact CG-CZ 3.48Å; R112-Y138 PolarHBondContact N-OH 3.44Å; R112-Y138 VanDerWaalsContact N-OH 3.15Å; Y138-D140 WeakPolarHBondContact CB-OD1 3.46Å; Y138-D140 PolarHBondContact O-N 2.82Å; Y138-D140 VanDerWaalsContact O-N 3.16Å; Y138-G141 WeakPolarHBondContact O-CA 3.35Å; Y138-G141 PolarHBondContact O-N 3.25Å; Y138-E142 HydrophobicContact CD2-CB 4.26Å; Y138-E142 WeakPolarHBondContact CD2-O 3.43Å; Y138-E142 PolarHBondContact N-O 3.12Å; Y138-A144 HydrophobicContact CD2-CB 4.33Å; Y138-A144 HydrophobicContact CE2-CB 3.62Å
139A94.8Very high97.8Very high119 Ų11967.8 Ų67.898%0.98336%0.363SS*.THydrogen-bonded Turntrans-61.1-26.4-175.300000114.4G141A139-G141 PolarHBondContact O-N 3.04Å
140D96Very high97.8Very high110 Ų11066.1 Ų66.159%0.58836%0.359SS*.THydrogen-bonded Turntrans-80.83.7173.461.2-17.3000113.3R112 Y138 E142R112-D140 IonicContact CZ-OD1 3.63Å; R112-D140 IonicContact CZ-OD2 3.81Å; R112-D140 VanDerWaalsContact NH1-CG 3.27Å; R112-D140 IonicContact NH1-OD1 2.91Å; R112-D140 PolarHBondContact NH1-OD1 3.39Å; R112-D140 IonicContact NH1-OD2 3.28Å; R112-D140 PolarHBondContact NH1-OD2 3.03Å; R112-D140 IonicContact NH2-OD1 3.86Å; R112-D140 PolarHBondContact NH2-OD1 3.13Å; R112-D140 IonicContact NH2-OD2 2.79Å; Y138-D140 WeakPolarHBondContact CB-OD1 3.46Å; Y138-D140 PolarHBondContact O-N 2.82Å; Y138-D140 VanDerWaalsContact O-N 3.16Å; D140-E142 VanDerWaalsContact C-N 3.33Å; D140-E142 PolarHBondContact OD1-N 3.27Å
141G97.1Very high97.8Very high37 Ų3762.2 Ų62.238%0.38134%0.34SS..SBendtrans82.16.9-179.900000114.1Y138 A139Y138-G141 WeakPolarHBondContact O-CA 3.35Å; Y138-G141 PolarHBondContact O-N 3.25Å; A139-G141 PolarHBondContact O-N 3.04Å
142E98.1Very high97.7Very high41 Ų4161.6 Ų61.619%0.19234%0.338CS..  trans-69.2137174.2-162.3-176.4169.200110.5R112 K113 S114 Y137 Y138 D140R112-E142 WeakPolarHBondContact CD-OE2 3.08Å; R112-E142 WeakPolarHBondContact CG-OE2 2.83Å; R112-E142 IonicContact CZ-OE2 3.88Å; R112-E142 IonicContact NE-OE2 3.21Å; R112-E142 IonicContact NH1-OE2 3.38Å; R112-E142 PolarHBondContact NH1-OE2 3.45Å; K113-E142 PolarHBondContact N-OE1 3.47Å; S114-E142 WeakPolarHBondContact CB-OE1 3.43Å; S114-E142 PolarHBondContact N-OE1 3.39Å; S114-E142 PolarHBondContact OG-OE1 3.08Å; S114-E142 PolarHBondContact OG-OE2 3.28Å; Y137-E142 PolarHBondContact N-O 2.97Å; Y137-E142 VanDerWaalsContact N-O 3.17Å; Y138-E142 HydrophobicContact CD2-CB 4.26Å; Y138-E142 WeakPolarHBondContact CD2-O 3.43Å; Y138-E142 PolarHBondContact N-O 3.12Å; D140-E142 VanDerWaalsContact C-N 3.33Å; D140-E142 PolarHBondContact OD1-N 3.27Å
143D98.4Very high97.6Very high48 Ų4863 Ų6326%0.25734%0.344SS..  trans-67.6151.3170.3-61.3-12.7000111.5K113 V133 E134 P135 K136K113-D143 HydrophobicContact CD-CB 3.37Å; K113-D143 HydrophobicContact CG-CB 4.21Å; K113-D143 IonicContact NZ-OD2 3.96Å; K113-D143 PolarHBondContact NZ-OD2 3.17Å; V133-D143 HydrophobicContact CG1-CB 4.23Å; E134-D143 VanDerWaalsContact O-CA 3.29Å; E134-D143 WeakPolarHBondContact O-CA 3.32Å; P135-D143 WeakPolarHBondContact CA-OD1 3.44Å; K136-D143 PolarHBondContact N-OD1 2.86Å
144A98.5Very high97.6Very high0 Ų061.9 Ų61.90%034%0.335CS..EExtended strand (participates in β ladder)trans-106.6149.2168.700000111.7H110 V133 E134 Y137 Y138H110-A144 HydrophobicContact CB-CB 4.29Å; V133-A144 CarbonylContact C-O 3.39Å; V133-A144 WeakPolarHBondContact CA-O 3.38Å; E134-A144 HydrophobicContact CB-CB 4.44Å; E134-A144 PolarHBondContact N-O 3Å; E134-A144 PolarHBondContact O-N 3.48Å; Y137-A144 HydrophobicContact CD1-CB 3.65Å; Y137-A144 HydrophobicContact CD2-CB 4.48Å; Y137-A144 HydrophobicContact CE1-CB 4.44Å; Y137-A144 HydrophobicContact CG-CB 3.65Å; Y138-A144 HydrophobicContact CD2-CB 4.33Å; Y138-A144 HydrophobicContact CE2-CB 3.62Å
145Y98.7Very high97.5Very high56 Ų5660 Ų6022%0.2233%0.327CS..EExtended strand (participates in β ladder)trans-87.3122.7152.8-69.4-59.1000108.1H110 V111 K113 L119 I130 V133H110-Y145 WeakPolarHBondContact CA-O 3.48Å; V111-Y145 PolarHBondContact N-O 3.06Å; V111-Y145 PolarHBondContact O-N 3.46Å; K113-Y145 HydrophobicContact CB-CD2 4.34Å; K113-Y145 HydrophobicContact CB-CE2 3.95Å; K113-Y145 HydrophobicContact CD-CE1 4.49Å; K113-Y145 HydrophobicContact CD-CE2 4.43Å; K113-Y145 HydrophobicContact CG-CD1 4.47Å; K113-Y145 HydrophobicContact CG-CD2 3.72Å; K113-Y145 HydrophobicContact CG-CE1 4.29Å; K113-Y145 HydrophobicContact CG-CE2 3.53Å; K113-Y145 HydrophobicContact CG-CG 4.21Å; L119-Y145 HydrophobicContact CD1-CE2 4.45Å; L119-Y145 HydrophobicContact CD2-CD2 3.81Å; L119-Y145 HydrophobicContact CD2-CE2 4.31Å; I130-Y145 HydrophobicContact CD1-CD1 3.85Å; I130-Y145 HydrophobicContact CD1-CD2 4.24Å; I130-Y145 HydrophobicContact CD1-CE1 3.91Å; I130-Y145 HydrophobicContact CD1-CE2 4.28Å; I130-Y145 HydrophobicContact CD1-CG 4.02Å; I130-Y145 HydrophobicContact CG1-CD1 4.21Å; I130-Y145 HydrophobicContact CG1-CG 4.23Å; I130-Y145 HydrophobicContact CG2-CD1 3.53Å; I130-Y145 HydrophobicContact CG2-CE1 4.17Å; I130-Y145 HydrophobicContact CG2-CG 4.2Å; V133-Y145 HydrophobicContact CG2-CD1 3.78Å; V133-Y145 HydrophobicContact CG2-CE1 3.65Å
146A98.4Very high97.4Very high6 Ų659.1 Ų59.15%0.0532%0.317CS..EExtended strand (participates in β ladder)trans-81.3130.3159.600000107.7L109 S131 E132L109-A146 WeakPolarHBondContact O-CA 3.45Å; S131-A146 PolarHBondContact N-O 3.27Å; S131-A146 PolarHBondContact OG-O 3.02Å; S131-A146 VanDerWaalsContact OG-O 3.07Å; E132-A146 HydrophobicContact CG-CB 3.55Å; E132-A146 PolarHBondContact N-O 3.23Å; E132-A146 PolarHBondContact O-N 2.98Å
147M98.6Very high97.3Very high1 Ų156 Ų561%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-124.6143.2-175.8-59-170.178.500110.4S108 L109 V111 L119 Y122 S123 F128 Q129 I130S108-M147 CarbonylContact C-O 3.56Å; S108-M147 VanDerWaalsContact CA-O 3.23Å; S108-M147 WeakPolarHBondContact CA-O 3.24Å; L109-M147 HydrophobicContact CD1-CB 3.94Å; L109-M147 HydrophobicContact CD1-CG 4.2Å; L109-M147 HydrophobicContact CD1-SD 4.23Å; L109-M147 HydrophobicContact CG-CB 4.25Å; L109-M147 PolarHBondContact N-O 3.16Å; L109-M147 PolarHBondContact O-N 2.97Å; V111-M147 HydrophobicContact CG1-CG 4.05Å; V111-M147 HydrophobicContact CG1-SD 3.56Å; V111-M147 VanDerWaalsContact CG1-SD 3.56Å; L119-M147 HydrophobicContact CD2-SD 4.36Å; Y122-M147 HydrophobicContact CD2-SD 4.46Å; S123-M147 WeakPolarHBondContact OG-CE 3.28Å; F128-M147 HydrophobicContact CB-CB 4.13Å; F128-M147 HydrophobicContact CB-CE 3.67Å; F128-M147 HydrophobicContact CB-SD 4.4Å; F128-M147 HydrophobicContact CD1-CB 3.93Å; F128-M147 HydrophobicContact CG-CB 4.47Å; Q129-M147 CarbonylContact O-C 3.57Å; Q129-M147 WeakPolarHBondContact O-CA 3.15Å; I130-M147 HydrophobicContact CG1-CE 4.01Å; I130-M147 HydrophobicContact CG1-CG 4.3Å
148K98.4Very high97Very high78 Ų7853.6 Ų53.634%0.33930%0.299SS..EExtended strand (participates in β ladder)trans-125.1142.7177.1-61.3-172.5-178.8-163.50110.9Y106 V107 F128 Q129Y106-K148 HydrophobicContact CD2-CB 4.25Å; Y106-K148 HydrophobicContact CD2-CD 3.96Å; Y106-K148 HydrophobicContact CD2-CG 4.11Å; Y106-K148 HydrophobicContact CE2-CD 3.62Å; Y106-K148 HydrophobicContact CE2-CG 4.08Å; Y106-K148 PolarHBondContact OH-NZ 3.19Å; Y106-K148 VanDerWaalsContact OH-NZ 3.09Å; V107-K148 CarbonylContact O-C 3.56Å; V107-K148 WeakPolarHBondContact O-CA 3.3Å; F128-K148 CarbonylContact C-O 3.6Å; F128-K148 WeakPolarHBondContact CA-O 3.36Å; Q129-K148 PolarHBondContact N-O 2.96Å; Q129-K148 PolarHBondContact O-N 3Å
149R98.5Very high96.7Very high21 Ų2159.6 Ų59.68%0.07932%0.322CS..EExtended strand (participates in β ladder)trans-122.3119.4168.1174.4174.883.5164.70.9109.2D92 S95 Y106 V107 L126 F128D92-R149 IonicContact OD1-NH1 3.97Å; D92-R149 PolarHBondContact OD1-NH1 3.07Å; D92-R149 IonicContact OD1-NH2 3.13Å; S95-R149 PolarHBondContact OG-NH2 3.2Å; Y106-R149 CarbonylContact C-O 3.6Å; Y106-R149 WeakPolarHBondContact CA-O 3.44Å; Y106-R149 VanDerWaalsContact CB-O 3.26Å; Y106-R149 WeakPolarHBondContact CB-O 3.22Å; V107-R149 HydrophobicContact CG1-CB 3.85Å; V107-R149 HydrophobicContact CG1-CG 4.45Å; V107-R149 PolarHBondContact N-O 2.96Å; V107-R149 PolarHBondContact O-N 2.98Å; L126-R149 WeakPolarHBondContact O-CD 3.34Å; F128-R149 HydrophobicContact CD1-CB 3.77Å; F128-R149 HydrophobicContact CD2-CB 3.73Å; F128-R149 HydrophobicContact CD2-CG 4.43Å; F128-R149 HydrophobicContact CE1-CB 3.75Å; F128-R149 HydrophobicContact CE2-CB 3.71Å; F128-R149 HydrophobicContact CE2-CG 4.36Å; F128-R149 HydrophobicContact CG-CB 3.76Å; F128-R149 HydrophobicContact CZ-CB 3.73Å
150D98.1Very high96.4Very high114 Ų11459.9 Ų59.961%0.6130%0.301SS*.EExtended strand (participates in β ladder)trans-63.4135.2172.2-174.6-79.5000110.8A152D150-A152 WeakPolarHBondContact OD1-CA 3.29Å; D150-A152 WeakPolarHBondContact OD1-CB 3.48Å; D150-A152 PolarHBondContact OD1-N 2.85Å
151L98.3Very high94.7Very high1 Ų161.2 Ų61.21%0.00532%0.315CS..  trans-107.92.4-178.4-65.8179.6000113.1I99 A104 K105 V107 H153 M154 A155I99-L151 HydrophobicContact CD1-CB 3.99Å; I99-L151 HydrophobicContact CD1-CD1 4.38Å; I99-L151 HydrophobicContact CD1-CD2 4.46Å; I99-L151 HydrophobicContact CG1-CB 4.06Å; I99-L151 HydrophobicContact CG1-CD1 3.99Å; A104-L151 HydrophobicContact CB-CD1 4.13Å; K105-L151 WeakPolarHBondContact O-CB 3.29Å; K105-L151 PolarHBondContact O-N 2.79Å; V107-L151 HydrophobicContact CB-CD1 4.3Å; V107-L151 HydrophobicContact CG1-CD1 4.41Å; V107-L151 HydrophobicContact CG1-CD2 4.14Å; V107-L151 HydrophobicContact CG1-CG 4.38Å; L151-H153 PolarHBondContact O-N 3.17Å; L151-M154 HydrophobicContact CD2-SD 4.46Å; L151-M154 PolarHBondContact O-N 2.96Å; L151-A155 WeakPolarHBondContact O-CB 3.21Å; L151-A155 PolarHBondContact O-N 2.76Å
152A96.3Very high92.9Very high47 Ų4763 Ų6339%0.38833%0.334SS..Hα-helixtrans-60.6-46.1-175.800000111.8D150 M154 A155 D156D150-A152 WeakPolarHBondContact OD1-CA 3.29Å; D150-A152 WeakPolarHBondContact OD1-CB 3.48Å; D150-A152 PolarHBondContact OD1-N 2.85Å; A152-M154 PolarHBondContact O-N 3.46Å; A152-A155 WeakPolarHBondContact O-CB 3.18Å; A152-A155 PolarHBondContact O-N 2.8Å; A152-D156 PolarHBondContact O-N 3.34Å
153H95.5Very high90.7Very high129 Ų12966 Ų6660%0.59736%0.355SS*.Hα-helixtrans-60.8-44.1178.2-175.1-88.2000112.2L151 A155 D156 E157L151-H153 PolarHBondContact O-N 3.17Å; H153-A155 VanDerWaalsContact C-N 3.34Å; H153-D156 PolarHBondContact O-N 3.36Å; H153-E157 IonicContact CE1-OE1 3.11Å; H153-E157 PolarHBondContact CE1-OE1 3.38Å; H153-E157 IonicContact ND1-OE1 2.98Å; H153-E157 WeakPolarHBondContact O-CG 3.5Å; H153-E157 PolarHBondContact O-N 3.46Å; H153-E157 VanDerWaalsContact O-N 3.07Å
154M96.7Very high88.3Confident45 Ų4575.2 Ų75.222%0.22239%0.386CS..Hα-helixtrans-63.7-41.6176.7-176.5-179.7-72.400110.9I99 L151 A152 D156 E157 L158I99-M154 HydrophobicContact CD1-CB 3.82Å; I99-M154 HydrophobicContact CD1-CG 3.58Å; I99-M154 HydrophobicContact CD1-SD 3.6Å; I99-M154 VanDerWaalsContact CD1-SD 3.6Å; L151-M154 HydrophobicContact CD2-SD 4.46Å; L151-M154 PolarHBondContact O-N 2.96Å; A152-M154 PolarHBondContact O-N 3.46Å; M154-D156 VanDerWaalsContact C-N 3.33Å; M154-D156 PolarHBondContact O-N 3.09Å; M154-E157 PolarHBondContact O-N 2.87Å; M154-L158 HydrophobicContact CG-CD1 4.27Å; M154-L158 VanDerWaalsContact O-CG 3.3Å; M154-L158 WeakPolarHBondContact O-CG 3.22Å; M154-L158 PolarHBondContact O-N 3.4Å; M154-L158 VanDerWaalsContact O-N 3.08Å
155A96.6Very high85.9Confident7 Ų780.1 Ų80.16%0.05842%0.416CS..Hα-helixtrans-62.8-39.4177.200000112.3I99 L151 A152 H153 L158 R159I99-A155 HydrophobicContact CD1-CB 4.36Å; I99-A155 HydrophobicContact CG2-CB 3.7Å; L151-A155 WeakPolarHBondContact O-CB 3.21Å; L151-A155 PolarHBondContact O-N 2.76Å; A152-A155 WeakPolarHBondContact O-CB 3.18Å; A152-A155 PolarHBondContact O-N 2.8Å; H153-A155 VanDerWaalsContact C-N 3.34Å; A155-L158 PolarHBondContact O-N 3.19Å; A155-R159 VanDerWaalsContact O-CG 3.32Å; A155-R159 WeakPolarHBondContact O-CG 3.36Å; A155-R159 PolarHBondContact O-N 3.37Å; A155-R159 VanDerWaalsContact O-N 3.14Å
156D96Very high82.9Confident85 Ų8582.2 Ų82.246%0.45544%0.439SS..Hα-helixtrans-67.4-37.8177-71.7-16.5000112.2A152 H153 M154 R159 K160A152-D156 PolarHBondContact O-N 3.34Å; H153-D156 PolarHBondContact O-N 3.36Å; M154-D156 VanDerWaalsContact C-N 3.33Å; M154-D156 PolarHBondContact O-N 3.09Å; D156-R159 PolarHBondContact O-N 3.32Å; D156-R159 IonicContact OD1-NH1 2.96Å; D156-R159 PolarHBondContact OD1-NH1 3.32Å; D156-K160 PolarHBondContact O-N 2.97Å
157E94.8Very high80.1Confident96 Ų9686.9 Ų86.945%0.44947%0.471SS..Hα-helixtrans-63.5-40.6173.3-72.4-172.3156.100112.6H153 M154 R159 K160H153-E157 IonicContact CE1-OE1 3.11Å; H153-E157 PolarHBondContact CE1-OE1 3.38Å; H153-E157 IonicContact ND1-OE1 2.98Å; H153-E157 WeakPolarHBondContact O-CG 3.5Å; H153-E157 PolarHBondContact O-N 3.46Å; H153-E157 VanDerWaalsContact O-N 3.07Å; M154-E157 PolarHBondContact O-N 2.87Å; E157-R159 VanDerWaalsContact C-N 3.3Å; E157-R159 PolarHBondContact O-N 2.94Å; E157-K160 PolarHBondContact O-N 2.92Å
158L92.1Very high77.2Confident59 Ų5996 Ų9631%0.30951%0.513SS..Hα-helixtrans-68-28178.3-67.4170.4000112.9R96 I99 E100 M154 A155R96-L158 HydrophobicContact CG-CD1 4Å; R96-L158 HydrophobicContact CG-CD2 4.29Å; I99-L158 HydrophobicContact CB-CD1 4.39Å; I99-L158 HydrophobicContact CD1-CD1 4.12Å; I99-L158 HydrophobicContact CG2-CD1 4.16Å; E100-L158 HydrophobicContact CG-CD1 4.39Å; M154-L158 HydrophobicContact CG-CD1 4.27Å; M154-L158 VanDerWaalsContact O-CG 3.3Å; M154-L158 WeakPolarHBondContact O-CG 3.22Å; M154-L158 PolarHBondContact O-N 3.4Å; M154-L158 VanDerWaalsContact O-N 3.08Å; A155-L158 PolarHBondContact O-N 3.19Å
159R89.9Confident74Confident152 Ų152100.8 Ų100.857%0.57454%0.537SS*.Hα-helixtrans-79.2-18.3178.8-73.4170.7-176.9149.80.5113.9A155 D156 E157 P161A155-R159 VanDerWaalsContact O-CG 3.32Å; A155-R159 WeakPolarHBondContact O-CG 3.36Å; A155-R159 PolarHBondContact O-N 3.37Å; A155-R159 VanDerWaalsContact O-N 3.14Å; D156-R159 PolarHBondContact O-N 3.32Å; D156-R159 IonicContact OD1-NH1 2.96Å; D156-R159 PolarHBondContact OD1-NH1 3.32Å; E157-R159 VanDerWaalsContact C-N 3.3Å; E157-R159 PolarHBondContact O-N 2.94Å; R159-P161 WeakPolarHBondContact O-CD 3.37Å
160K89.1Confident70.9Confident124 Ų124104.5 Ų104.554%0.53957%0.572SS.*SBendtrans-64.4120.9-178.5-74.8171.6-173.1170.30110.1D156 E157 G162D156-K160 PolarHBondContact O-N 2.97Å; E157-K160 PolarHBondContact O-N 2.92Å; K160-G162 PolarHBondContact O-N 3.03Å; K160-G162 VanDerWaalsContact O-N 3.15Å
161P59.5Low67.7Low138 Ų138105.7 Ų105.790%0.89658%0.584SS**THydrogen-bonded Turntrans-64.5117.8177.723.5-30000109.7R159R159-P161 WeakPolarHBondContact O-CD 3.37Å
162G60Low64.6Low75 Ų75111.4 Ų111.477%0.77362%0.624SS**THydrogen-bonded Turntrans133.4-14.7174.800000116.2K160 R164K160-G162 PolarHBondContact O-N 3.03Å; K160-G162 VanDerWaalsContact O-N 3.15Å; G162-R164 VanDerWaalsContact C-N 3.29Å; G162-R164 PolarHBondContact O-N 3.39Å; G162-R164 VanDerWaalsContact O-N 3.11Å
163V52.5Low61.5Low103 Ų103112.7 Ų112.762%0.62464%0.642SS**  trans-89.266175.5-168.80000110.2V165V163-V165 HydrophobicContact CG1-CG2 4.17Å; V163-V165 PolarHBondContact O-N 2.9Å
164R47.9Very low58.5Low242 Ų242116.1 Ų116.191%0.91366%0.658SS**  trans-81.2100.2158.7-78.7-175.7171-174.1-2.7107.1G162 S166G162-R164 VanDerWaalsContact C-N 3.29Å; G162-R164 PolarHBondContact O-N 3.39Å; G162-R164 VanDerWaalsContact O-N 3.11Å; R164-S166 PolarHBondContact O-N 3.12Å
165V47.2Very low55.2Low103 Ų103119.4 Ų119.462%0.62469%0.686SS**  trans-63124.5168.4-178.70000107V163 S167V163-V165 HydrophobicContact CG1-CG2 4.17Å; V163-V165 PolarHBondContact O-N 2.9Å; V165-S167 PolarHBondContact O-N 3.5Å
166S37.3Very low52.9Low101 Ų101124.7 Ų124.771%0.70672%0.719SS**  trans-57.8101.9179.460.50000110.3R164 Q168R164-S166 PolarHBondContact O-N 3.12Å; S166-Q168 PolarHBondContact O-N 3.31Å
167S39.5Very low49.7Very low103 Ų103126.8 Ų126.872%0.7274%0.741SS**  trans-63.8114.8151.347.70000106V165 E169V165-S167 PolarHBondContact O-N 3.5Å; S167-E169 PolarHBondContact O-N 3.24Å
168Q36.6Very low46.5Very low192 Ų192125.4 Ų125.490%0.89775%0.752SS**  trans-55.2114.1173-75.6175.9-29.200108.5S166 A170S166-Q168 PolarHBondContact O-N 3.31Å; Q168-A170 PolarHBondContact O-N 3.25Å
169E32.4Very low43.5Very low179 Ų179129 Ų12984%0.83678%0.782SS**  trans-65.5118.6171.8-74.4176.314800108.9S167 T171S167-E169 PolarHBondContact O-N 3.24Å; E169-T171 PolarHBondContact O-N 2.9Å
170A32.7Very low40.6Very low100 Ų100125.5 Ų125.583%0.82679%0.794SS**  trans-74.6109.4156.100000107.3Q168 S172Q168-A170 PolarHBondContact O-N 3.25Å; A170-S172 PolarHBondContact O-N 2.76Å
171T29.9Very low37.7Very low139 Ų139127.3 Ų127.385%0.85381%0.809SS**  trans-68.2116.5172.250.80000110.1E169E169-T171 PolarHBondContact O-N 2.9Å
172S33.4Very low36.3Very low120 Ų120128.6 Ų128.684%0.83980%0.803SS**  trans-132.7116.5157.562.10000109.1A170A170-S172 PolarHBondContact O-N 2.76Å
173G31.2Very low34.9Very low75 Ų75131.9 Ų131.977%0.77380%0.799SS**  trans-81.5149.7-176.300000114.6
174Q32.5Very low33.8Very low201 Ų201135.6 Ų135.694%0.93980%0.801SS**  trans69.1121.3145-67.7177.5000121.2
175S28.7Very low32.8Very low114 Ų114131.1 Ų131.180%0.79779%0.791SS**  trans-89.1-164.2167.4-30.30000111.4
176P48.4Very low31.9Very low117 Ų117130.7 Ų130.776%0.7679%0.792SS**  cis-140.4176.6-18.833.9-13000115.5
177S27.8Very low31.4Very low130 Ų130134 Ų13491%0.90980%0.797SS**  trans147.1144.8145.954.50000110.6
178G28Very low30.8Very low66 Ų66140.3 Ų140.368%0.6881%0.805SS**  cis-176.4155.8-1.500000110.5
179S29.1Very low30.3Very low134 Ų134137.8 Ų137.894%0.93780%0.797SS**  trans41.7131.8151.659.60000123.6
180G29.2Very low30Very low80 Ų80133.8 Ų133.883%0.82579%0.789SS**  trans173.1114.7154.200000113.7
181D28.3Very low29.5Very low161 Ų161133 Ų13386%0.86179%0.79SS**  trans-78170.6-172.8-77.4-48.7000117.1
182Q30.6Very low29.3Very low165 Ų165130 Ų13077%0.77179%0.788SS**  trans109.3114.2141.7-87.3172.322.400120.9
183E29.2Very low29Very low145 Ų145133.1 Ų133.168%0.67879%0.789SS**  49.6139.9124.7-69.3-172-161.200119.2
184R29.8Very low28.8Very low180 Ų180135.5 Ų135.568%0.67979%0.794SS**  cis-178.9158.827.7-122.4173.4-158.9-125.18.6108.9
185E27.4Very low28.7Very low149 Ų149134.6 Ų134.670%0.69679%0.787SS**  trans53.5148.8143.9-70.7166.4-151.800119.9
186S27.2Very low28.6Very low94 Ų94138 Ų13866%0.65779%0.79SS**  cis-173.6148.3-0.545.50000108
187E27.6Very low27.6Very low170 Ų170140.8 Ų140.879%0.79480%0.798SS**  trans38.6152.1145.2-61.9-170.315000125
188R27.9Very low27.6Very low235 Ų235139.2 Ų139.289%0.88779%0.787SS**  trans101.3141.6158.4-60.9-176.6-164.4-163.95.9114.8
189D25.6Very low27.8Very low139 Ų139145.2 Ų145.274%0.74380%0.797SS**  cis-169.9150.8-11.2174.239.4000106.8
190S25.4Very low27.7Very low96 Ų96144.7 Ų144.767%0.67179%0.788SS**  trans24.3144.3153.473.20000124.3
191G23.4Very low27.9Very low82 Ų82146.5 Ų146.585%0.84579%0.788SS**  102.1120.4126.200000117.3
192G25.3Very low28Very low78 Ų78145.5 Ų145.580%0.80478%0.778SS**  trans158.792161.400000114.9
193E27.1Very low28Very low184 Ų184141.8 Ų141.886%0.8678%0.776SS**  trans-46.7136.5179.5-67.8154101.200115.8
194S26.6Very low28.5Very low126 Ų126141.9 Ų141.988%0.88179%0.786SS**  trans-79.2123.5161.3-560000109.4
195K29.5Very low28.5Very low182 Ų182141.9 Ų141.979%0.79179%0.794SS**  trans-122.5135.5161-93.1-175.3177.4176.70110.2
196E27.1Very low28.6Very low185 Ų185139.6 Ų139.686%0.86480%0.795SS**  trans-37.9141.3174.9-59.9165126.900114.1
197L28.1Very low28.9Very low175 Ų175140.9 Ų140.992%0.91680%0.799SS**  trans-144114.3152.6-97131000109.1
198S28.2Very low29.1Very low98 Ų98140 Ų14069%0.68580%0.799SS**  trans-64.6144177.450.10000113.6
199E31.6Very low29.4Very low192 Ų192135.1 Ų135.190%0.89780%0.796SS**  trans13.7116.5141.9-61.4177.5148.900117.8
200V28Very low29.8Very low123 Ų123137.9 Ų137.975%0.74580%0.801SS**  trans-133.2107.9155.1-178.80000108.5E202V200-E202 HydrophobicContact CG1-CG 4.24Å; V200-E202 PolarHBondContact O-N 3.39Å
201S31.4Very low30.1Very low118 Ų118140.8 Ų140.883%0.82581%0.809SS**  trans-69.698.3162.143.10000109A203S201-A203 VanDerWaalsContact C-N 3.29Å; S201-A203 PolarHBondContact O-N 3.46Å
202E31.9Very low30.7Very low139 Ų139142.1 Ų142.165%0.6581%0.806SS**  trans-75.386.9169.4-86.7176.1167.200109K29 V200K29-E202 VanDerWaalsContact NZ-CD 3.28Å; K29-E202 IonicContact NZ-OE1 2.86Å; K29-E202 PolarHBondContact NZ-OE1 3.4Å; K29-E202 IonicContact NZ-OE2 2.92Å; K29-E202 PolarHBondContact NZ-OE2 3.41Å; V200-E202 HydrophobicContact CG1-CG 4.24Å; V200-E202 PolarHBondContact O-N 3.39Å
203A30.6Very low31.3Very low87 Ų87143.9 Ų143.972%0.71981%0.805SS**  trans-62.1140.1153.400000109S201 E205S201-A203 VanDerWaalsContact C-N 3.29Å; S201-A203 PolarHBondContact O-N 3.46Å; A203-E205 PolarHBondContact O-N 2.96Å
204T39.1Very low32Very low147 Ų147140.6 Ų140.690%0.90280%0.803SS**  trans-52.7116.3-179.749.20000112.6
205E29.1Very low32.7Very low180 Ų180142.4 Ų142.484%0.84180%0.803SS**  trans-101.7113.3167-160173.7-167.500109.6A203A203-E205 PolarHBondContact O-N 2.96Å
206S30.9Very low33.4Very low102 Ų102138.8 Ų138.871%0.71380%0.8SS**  trans-99.3116.7170.2177.70000107.9D208S206-D208 PolarHBondContact O-N 3.22Å
207T32.8Very low34Very low120 Ų120142.9 Ų142.974%0.73682%0.819SS**  trans-88.4103.9172.942.80000110V209T207-V209 PolarHBondContact O-N 2.92Å
208D31.2Very low34.3Very low151 Ų151141.3 Ų141.381%0.80781%0.814SS**  trans-76.9112.8165.5-84.9-53.5000109.9S206 K210S206-D208 PolarHBondContact O-N 3.22Å; D208-K210 PolarHBondContact O-N 2.92Å
209V35.3Very low34.7Very low134 Ų134143.6 Ų143.681%0.81282%0.821SS**  trans-80.8105.4165.21800000107.6T207 D211T207-V209 PolarHBondContact O-N 2.92Å; V209-D211 PolarHBondContact O-N 2.86Å
210K33.2Very low34.8Very low197 Ų197140.9 Ų140.986%0.85782%0.817SS**  trans-75.3108.1166-89.9-177176.8175.30109.4D208D208-K210 PolarHBondContact O-N 2.92Å
211D32.2Very low35.2Very low156 Ų156141.9 Ų141.983%0.83482%0.821SS**  trans-75115164.7-147.5-5.4000108.3V209V209-D211 PolarHBondContact O-N 2.86Å
212S35.1Very low35.5Very low111 Ų111143.4 Ų143.478%0.77682%0.821SS**  trans-104.791.7173.962.40000109.5
213S37.8Very low35.7Very low114 Ų114143.7 Ų143.780%0.79783%0.832SS**  trans-85.1111157.952.40000108.9
214S41.6Very low36.1Very low115 Ų115147.8 Ų147.880%0.80484%0.841SS**  trans-104.3106.6162.759.60000108.2
215D41.5Very low35.9Very low165 Ų165147.8 Ų147.888%0.88284%0.836SS**  trans-66.7147.9171.3-110.1-31.3000111.5
216S45.1Very low36.4Very low105 Ų105145.2 Ų145.273%0.73484%0.835SS**  trans-78.7131.6174.5-55.40000110.7
217Q40.4Very low36.9Very low272 Ų272149.1 Ų149.1100%1.27185%0.847SS**  trans-173.30140.4-104.717053.500111.2

Retrieved 217 of 217 residues in 150.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).