A0A060WFU8_ONCMY Loading...

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

AlphaFold DB , UniProt , Accession A0A060WFU8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 215 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M91.1Very high97.5Very high100 Ų10060.9 Ų60.949%0.49330%0.301SS..  0113.20-62.5-57.8148.200108.5E46 D47 V53 H81 L86M1-E46 CarbonylContact C-O 3.5Å; M1-E46 VanDerWaalsContact CA-O 3.23Å; M1-E46 WeakPolarHBondContact CA-O 3.43Å; M1-D47 HydrophobicContact CE-CB 3.83Å; M1-D47 HydrophobicContact SD-CB 3.95Å; M1-V53 HydrophobicContact SD-CG2 3.74Å; M1-H81 WeakPolarHBondContact CE-CD2 3.07Å; M1-H81 WeakPolarHBondContact CE-NE2 3.43Å; M1-L86 HydrophobicContact CB-CD2 4.02Å; M1-L86 HydrophobicContact CG-CD1 4.48Å; M1-L86 HydrophobicContact CG-CD2 4.39Å
2N97.2Very high97.6Very high81 Ų8166.1 Ų66.143%0.43333%0.326SS..EExtended strand (participates in β ladder)trans-89134.5176.6-176.933.1000109.2A45 E46N2-A45 CarbonylContact O-C 3.57Å; N2-A45 VanDerWaalsContact O-CA 3.28Å; N2-A45 WeakPolarHBondContact O-CA 3.49Å; N2-E46 HydrophobicContact CB-CG 3.82Å; N2-E46 PolarHBondContact N-O 2.9Å; N2-E46 PolarHBondContact ND2-OE1 2.88Å; N2-E46 PolarHBondContact O-N 3.22Å
3I98.5Very high97.6Very high44 Ų4467.7 Ų67.723%0.22634%0.337CS..EExtended strand (participates in β ladder)trans-114.9123173.5-65.1177.8000107.6Y43 I44 A45 L86 K89 L90 Q93I3-Y43 HydrophobicContact CG2-CD1 4.4Å; I3-I44 WeakPolarHBondContact CA-O 3.31Å; I3-A45 HydrophobicContact CG1-CB 4.14Å; I3-L86 HydrophobicContact CD1-CD2 4.22Å; I3-K89 HydrophobicContact CD1-CB 3.36Å; I3-K89 HydrophobicContact CD1-CD 3.79Å; I3-K89 HydrophobicContact CD1-CG 4.22Å; I3-L90 HydrophobicContact CG2-CD2 4.04Å; I3-Q93 HydrophobicContact CG2-CG 4.27Å
4R98.6Very high97.7Very high49 Ų4962.9 Ų62.919%0.18531%0.313CS..EExtended strand (participates in β ladder)trans-146.6161.3-178.461.5174179.680-0.2111.4D10 Y43 I44 E46R4-D10 IonicContact CZ-OD1 2.91Å; R4-D10 IonicContact CZ-OD2 3.99Å; R4-D10 IonicContact NH1-OD1 2.8Å; R4-D10 IonicContact NH1-OD2 3.11Å; R4-D10 PolarHBondContact NH1-OD2 3.29Å; R4-D10 IonicContact NH2-OD1 2.74Å; R4-D10 PolarHBondContact NH2-OD1 2.79Å; R4-D10 IonicContact NH2-OD2 3.82Å; R4-Y43 WeakPolarHBondContact O-CA 3.39Å; R4-Y43 WeakPolarHBondContact O-CD1 3.41Å; R4-I44 HydrophobicContact CG-CD1 4.45Å; R4-I44 HydrophobicContact CG-CG1 4.07Å; R4-I44 PolarHBondContact N-O 3.18Å; R4-I44 VanDerWaalsContact N-O 3.1Å; R4-I44 VanDerWaalsContact NH2-CD1 3.25Å; R4-I44 PolarHBondContact O-N 3.32Å; R4-E46 IonicContact CZ-OE1 3.02Å; R4-E46 IonicContact CZ-OE2 3.55Å; R4-E46 VanDerWaalsContact NE-CD 3.3Å; R4-E46 IonicContact NE-OE1 3.25Å; R4-E46 PolarHBondContact NE-OE1 3.34Å; R4-E46 IonicContact NE-OE2 3.95Å; R4-E46 PolarHBondContact NE-OE2 2.76Å; R4-E46 VanDerWaalsContact NE-OE2 3.11Å; R4-E46 IonicContact NH2-OE1 3.06Å; R4-E46 IonicContact NH2-OE2 3.63Å; R4-E46 PolarHBondContact NH2-OE2 2.79Å
5N98.8Very high97.7Very high57 Ų5761.9 Ų61.931%0.30531%0.307SS..EExtended strand (participates in β ladder)trans-60.2139.7172.1176-113.6000110P39 Q40 S42 Y43N5-P39 PolarHBondContact ND2-O 3.12Å; N5-P39 PolarHBondContact OD1-O 3.14Å; N5-Q40 PolarHBondContact ND2-O 3.05Å; N5-S42 PolarHBondContact ND2-O 3.43Å; N5-Y43 HydrophobicContact CB-CD1 4.3Å; N5-Y43 HydrophobicContact CB-CE1 3.91Å
6A98.6Very high97.8Very high10 Ų1064.1 Ų64.18%0.08332%0.316CS..  trans-76.5137-178.900000110.3M14 S42 I44A6-M14 HydrophobicContact CB-SD 3.82Å; A6-S42 WeakPolarHBondContact CB-O 3.26Å; A6-S42 PolarHBondContact N-O 2.98Å; A6-I44 HydrophobicContact CB-CG2 3.99Å
7R98.3Very high97.8Very high115 Ų11560.3 Ų60.343%0.43430%0.297SS..  trans-106.2162.6175.5-63.8178-68.1165.35.3110E9 D10R7-E9 HydrophobicContact CB-CG 3.98Å; R7-E9 IonicContact CZ-OE1 3.61Å; R7-E9 IonicContact NE-OE1 3.37Å; R7-E9 IonicContact NH1-OE1 3.98Å; R7-E9 PolarHBondContact NH1-OE1 3.27Å; R7-E9 IonicContact NH2-OE1 3.66Å; R7-E9 PolarHBondContact NH2-OE1 3.47Å; R7-E9 PolarHBondContact O-N 3.14Å; R7-E9 VanDerWaalsContact O-N 3.1Å; R7-D10 WeakPolarHBondContact CB-OD2 3.46Å; R7-D10 PolarHBondContact N-OD2 3.24Å; R7-D10 IonicContact NE-OD2 3.17Å; R7-D10 WeakPolarHBondContact O-CB 3.23Å; R7-D10 PolarHBondContact O-N 3.15Å
8P97.3Very high97.8Very high80 Ų8056.9 Ų56.952%0.51928%0.281SS..G310 helixtrans-53.1-33.7177.2-29.536.8000114.4D10 L11P8-D10 VanDerWaalsContact C-N 3.26Å; P8-D10 PolarHBondContact O-N 3.37Å; P8-L11 WeakPolarHBondContact O-CB 3.23Å; P8-L11 WeakPolarHBondContact O-CG 3.38Å; P8-L11 PolarHBondContact O-N 3.04Å
9E97.7Very high97.8Very high121 Ų12159.4 Ų59.457%0.56530%0.295SS*.G310 helixtrans-67.1-22175.661.1-172-13600114.2R7R7-E9 HydrophobicContact CB-CG 3.98Å; R7-E9 IonicContact CZ-OE1 3.61Å; R7-E9 IonicContact NE-OE1 3.37Å; R7-E9 IonicContact NH1-OE1 3.98Å; R7-E9 PolarHBondContact NH1-OE1 3.27Å; R7-E9 IonicContact NH2-OE1 3.66Å; R7-E9 PolarHBondContact NH2-OE1 3.47Å; R7-E9 PolarHBondContact O-N 3.14Å; R7-E9 VanDerWaalsContact O-N 3.1Å
10D98.4Very high97.7Very high9 Ų961.8 Ų61.85%0.04831%0.308CS..G310 helixtrans-82-18.7178.9-60.2-55.6000112.4R4 R7 P8 M12 N13 M14 I44 I52R4-D10 IonicContact CZ-OD1 2.91Å; R4-D10 IonicContact CZ-OD2 3.99Å; R4-D10 IonicContact NH1-OD1 2.8Å; R4-D10 IonicContact NH1-OD2 3.11Å; R4-D10 PolarHBondContact NH1-OD2 3.29Å; R4-D10 IonicContact NH2-OD1 2.74Å; R4-D10 PolarHBondContact NH2-OD1 2.79Å; R4-D10 IonicContact NH2-OD2 3.82Å; R7-D10 WeakPolarHBondContact CB-OD2 3.46Å; R7-D10 PolarHBondContact N-OD2 3.24Å; R7-D10 IonicContact NE-OD2 3.17Å; R7-D10 WeakPolarHBondContact O-CB 3.23Å; R7-D10 PolarHBondContact O-N 3.15Å; P8-D10 VanDerWaalsContact C-N 3.26Å; P8-D10 PolarHBondContact O-N 3.37Å; D10-M12 VanDerWaalsContact C-N 3.31Å; D10-M12 PolarHBondContact O-N 3Å; D10-N13 CarbonylContact O-C 3.54Å; D10-N13 WeakPolarHBondContact O-CA 3.46Å; D10-N13 WeakPolarHBondContact O-CB 3.49Å; D10-N13 PolarHBondContact O-N 2.85Å; D10-M14 WeakPolarHBondContact O-CG 3.26Å; D10-M14 PolarHBondContact O-N 3.31Å; D10-I44 HydrophobicContact CB-CD1 4.1Å; D10-I52 HydrophobicContact CB-CD1 4.14Å
11L98.1Very high97.6Very high4 Ų459.7 Ų59.72%0.02130%0.299CS..Hα-helixtrans-61.3-36.6-168.7-64.4178.8000113.1P8 N13 M14 Q15 M28 F32P8-L11 WeakPolarHBondContact O-CB 3.23Å; P8-L11 WeakPolarHBondContact O-CG 3.38Å; P8-L11 PolarHBondContact O-N 3.04Å; L11-N13 VanDerWaalsContact C-N 3.33Å; L11-N13 PolarHBondContact O-N 3.32Å; L11-M14 HydrophobicContact CD2-SD 3.88Å; L11-M14 WeakPolarHBondContact O-CB 3.47Å; L11-M14 PolarHBondContact O-N 3.48Å; L11-Q15 PolarHBondContact O-N 3.38Å; L11-M28 HydrophobicContact CB-CE 3.5Å; L11-M28 VanDerWaalsContact CB-CE 3.5Å; L11-F32 HydrophobicContact CD1-CD1 3.51Å; L11-F32 HydrophobicContact CD1-CE1 3.87Å; L11-F32 HydrophobicContact CD1-CG 4.4Å
12M98.1Very high97.7Very high123 Ų12355.4 Ų55.461%0.60628%0.278SS*.Hα-helixtrans-66.4-38.7176.3-74.7-171.9-82.200111.1D10 M14 Q15 H16 M28D10-M12 VanDerWaalsContact C-N 3.31Å; D10-M12 PolarHBondContact O-N 3Å; M12-M14 VanDerWaalsContact C-N 3.35Å; M12-Q15 PolarHBondContact O-N 2.89Å; M12-H16 PolarHBondContact O-N 2.81Å; M12-M28 HydrophobicContact CB-CE 4.27Å; M12-M28 HydrophobicContact CG-CE 3.4Å; M12-M28 VanDerWaalsContact CG-CE 3.4Å; M12-M28 HydrophobicContact CG-SD 4.1Å
13N98.4Very high97.5Very high87 Ų8755 Ų5547%0.46528%0.28SS..Hα-helixtrans-72.7-30.3177.3-70.4-37.4000111.8D10 L11 C17 I52D10-N13 CarbonylContact O-C 3.54Å; D10-N13 WeakPolarHBondContact O-CA 3.46Å; D10-N13 WeakPolarHBondContact O-CB 3.49Å; D10-N13 PolarHBondContact O-N 2.85Å; L11-N13 VanDerWaalsContact C-N 3.33Å; L11-N13 PolarHBondContact O-N 3.32Å; N13-C17 WeakPolarHBondContact O-CB 3.43Å; N13-C17 PolarHBondContact O-N 2.81Å; N13-I52 HydrophobicContact CB-CB 4.46Å; N13-I52 HydrophobicContact CB-CD1 3.44Å; N13-I52 VanDerWaalsContact CB-CD1 3.44Å; N13-I52 HydrophobicContact CB-CG1 3.97Å
14M98.6Very high97.2Very high0 Ų053.6 Ų53.60%027%0.272CS..Hα-helixtrans-65.4-46.5170.3-68.5171.26400110.9A6 D10 L11 M12 H16 C17 N18 Y31 I44 I52 Y55 L57A6-M14 HydrophobicContact CB-SD 3.82Å; D10-M14 WeakPolarHBondContact O-CG 3.26Å; D10-M14 PolarHBondContact O-N 3.31Å; L11-M14 HydrophobicContact CD2-SD 3.88Å; L11-M14 WeakPolarHBondContact O-CB 3.47Å; L11-M14 PolarHBondContact O-N 3.48Å; M12-M14 VanDerWaalsContact C-N 3.35Å; M14-H16 VanDerWaalsContact C-N 3.33Å; M14-H16 PolarHBondContact O-N 3.23Å; M14-C17 WeakPolarHBondContact O-CB 3.33Å; M14-C17 PolarHBondContact O-N 3Å; M14-C17 VanDerWaalsContact O-N 3.11Å; M14-N18 PolarHBondContact O-N 3.39Å; M14-Y31 HydrophobicContact CB-CD1 4.42Å; M14-Y31 HydrophobicContact CB-CE1 4.19Å; M14-I44 HydrophobicContact CG-CG2 3.68Å; M14-I44 HydrophobicContact SD-CG2 3.76Å; M14-I52 HydrophobicContact CG-CD1 3.94Å; M14-Y55 HydrophobicContact CB-CG 4.29Å; M14-Y55 HydrophobicContact CE-CD2 3.69Å; M14-Y55 HydrophobicContact CE-CG 4.15Å; M14-Y55 HydrophobicContact CG-CG 4.23Å; M14-L57 HydrophobicContact CE-CB 4.23Å; M14-L57 HydrophobicContact CE-CD1 3.77Å
15Q98.4Very high97.1Very high48 Ų4854 Ų5422%0.22428%0.278CS..Hα-helixtrans-59.8-43.9175-173.8-173.349.900111.5L11 M12 C17 N18 L19 Y26 Y31L11-Q15 PolarHBondContact O-N 3.38Å; M12-Q15 PolarHBondContact O-N 2.89Å; Q15-C17 VanDerWaalsContact C-N 3.28Å; Q15-C17 PolarHBondContact O-N 3.14Å; Q15-N18 WeakPolarHBondContact O-CB 3.25Å; Q15-N18 PolarHBondContact O-N 3.27Å; Q15-L19 HydrophobicContact CG-CD1 4.21Å; Q15-L19 PolarHBondContact O-N 2.85Å; Q15-Y26 PolarHBondContact NE2-O 3.06Å; Q15-Y31 HydrophobicContact CB-CD2 4.24Å; Q15-Y31 HydrophobicContact CB-CE1 4.39Å; Q15-Y31 HydrophobicContact CB-CE2 3.8Å; Q15-Y31 HydrophobicContact CG-CD2 4.38Å; Q15-Y31 HydrophobicContact CG-CE2 3.74Å
16H98.2Very high97Very high97 Ų9752.1 Ų52.145%0.44927%0.267SS..Hα-helixtrans-60.4-39.2174.8-179.867.9000112.1M12 M14 L20M12-H16 PolarHBondContact O-N 2.81Å; M14-H16 VanDerWaalsContact C-N 3.33Å; M14-H16 PolarHBondContact O-N 3.23Å; H16-L20 WeakPolarHBondContact NE2-CD1 3.45Å; H16-L20 WeakPolarHBondContact O-CG 3.44Å; H16-L20 PolarHBondContact O-N 3.49Å
17C98Very high96.9Very high0 Ų059.1 Ų59.10%030%0.298CS..Hα-helixtrans-66-40175.4-164.90000112.3N13 M14 Q15 L20 C21 I52 Y55N13-C17 WeakPolarHBondContact O-CB 3.43Å; N13-C17 PolarHBondContact O-N 2.81Å; M14-C17 WeakPolarHBondContact O-CB 3.33Å; M14-C17 PolarHBondContact O-N 3Å; M14-C17 VanDerWaalsContact O-N 3.11Å; Q15-C17 VanDerWaalsContact C-N 3.28Å; Q15-C17 PolarHBondContact O-N 3.14Å; C17-L20 PolarHBondContact O-N 2.92Å; C17-C21 WeakPolarHBondContact O-CB 3.25Å; C17-C21 PolarHBondContact O-N 3.41Å; C17-C21 PolarHBondContact O-SG 3.36Å; C17-I52 HydrophobicContact CB-CG2 4.28Å; C17-Y55 HydrophobicContact CB-CD1 3.85Å; C17-Y55 HydrophobicContact CB-CE1 3.99Å
18N98.2Very high96.9Very high0 Ų055.5 Ų55.50%029%0.286CS..Hα-helixtrans-57.8-54.2175.3174.4-115.2000111.2M14 Q15 L20 C21 L22 E24 N25 Y31 Y55M14-N18 PolarHBondContact O-N 3.39Å; Q15-N18 WeakPolarHBondContact O-CB 3.25Å; Q15-N18 PolarHBondContact O-N 3.27Å; N18-L20 PolarHBondContact O-N 3.25Å; N18-L20 VanDerWaalsContact O-N 3.09Å; N18-C21 PolarHBondContact O-N 2.92Å; N18-L22 WeakPolarHBondContact ND2-CD1 3.45Å; N18-L22 PolarHBondContact O-N 3.04Å; N18-E24 PolarHBondContact ND2-O 2.95Å; N18-E24 VanDerWaalsContact ND2-O 3.13Å; N18-E24 PolarHBondContact OD1-O 2.89Å; N18-N25 WeakPolarHBondContact OD1-CA 3.19Å; N18-N25 PolarHBondContact OD1-OD1 2.88Å; N18-Y31 WeakPolarHBondContact CB-OH 3.49Å; N18-Y31 PolarHBondContact OD1-OH 3.45Å; N18-Y55 HydrophobicContact CB-CE1 4.08Å; N18-Y55 VanDerWaalsContact CB-OH 3.22Å; N18-Y55 WeakPolarHBondContact CB-OH 3.36Å; N18-Y55 PolarHBondContact ND2-OH 2.96Å
19L97.6Very high96.9Very high103 Ų10359.7 Ų59.754%0.53930%0.296SS..Hα-helixtrans-55.8-29.6178.7-75160.9000113.9Q15 N25Q15-L19 HydrophobicContact CG-CD1 4.21Å; Q15-L19 PolarHBondContact O-N 2.85Å; L19-N25 VanDerWaalsContact CA-OD1 3.27Å; L19-N25 WeakPolarHBondContact CA-OD1 3.42Å; L19-N25 HydrophobicContact CD2-CB 4.26Å; L19-N25 WeakPolarHBondContact CD2-OD1 3.47Å; L19-N25 WeakPolarHBondContact CG-OD1 3.44Å; L19-N25 PolarHBondContact N-OD1 2.99Å
20L96.9Very high96.9Very high108 Ų10855.6 Ų55.657%0.56528%0.276SS*.Hα-helixtrans-84.3-20.3177.7-70.7175.6000113.8H16 C17 N18H16-L20 WeakPolarHBondContact NE2-CD1 3.45Å; H16-L20 WeakPolarHBondContact O-CG 3.44Å; H16-L20 PolarHBondContact O-N 3.49Å; C17-L20 PolarHBondContact O-N 2.92Å; N18-L20 PolarHBondContact O-N 3.25Å; N18-L20 VanDerWaalsContact O-N 3.09Å
21C94.1Very high96.9Very high17 Ų1755.1 Ų55.112%0.11527%0.274CS..Hα-helixtrans-116.1-32.5-166.8-650000114.1C17 N18 A76C17-C21 WeakPolarHBondContact O-CB 3.25Å; C17-C21 PolarHBondContact O-N 3.41Å; C17-C21 PolarHBondContact O-SG 3.36Å; N18-C21 PolarHBondContact O-N 2.92Å; C21-A76 HydrophobicContact CB-CB 3.73Å
22L94.4Very high96.9Very high10 Ų1059.1 Ų59.15%0.05229%0.291CS..  trans-127.4145.1-171.1-42.3-176.1000110.6N18 N25 S74 A76 V198N18-L22 WeakPolarHBondContact ND2-CD1 3.45Å; N18-L22 PolarHBondContact O-N 3.04Å; L22-N25 PolarHBondContact O-ND2 3.49Å; L22-S74 WeakPolarHBondContact CD1-OG 3.4Å; L22-A76 HydrophobicContact CD1-CB 4.31Å; L22-A76 HydrophobicContact CD2-CB 3.95Å; L22-A76 HydrophobicContact CG-CB 4.12Å; L22-V198 VanDerWaalsContact CD2-C 3.49Å; L22-V198 HydrophobicContact CD2-CB 4.2Å; L22-V198 HydrophobicContact CD2-CG1 4.31Å; L22-V198 WeakPolarHBondContact CD2-O 3.37Å
23P92.9Very high96.9Very high72 Ų7257.5 Ų57.547%0.46828%0.278SS..SBendtrans-75.8-22.9173.527.2-27.4000113N25P23-N25 VanDerWaalsContact C-ND2 3.28Å; P23-N25 PolarHBondContact O-ND2 3.21Å
24E92.1Very high96.9Very high16 Ų1653.3 Ų53.38%0.07526%0.256CS..  trans-93.9120178.2-54.993.8174.300111.4N18 R112 S199 E200 A201 T202N18-E24 PolarHBondContact ND2-O 2.95Å; N18-E24 VanDerWaalsContact ND2-O 3.13Å; N18-E24 PolarHBondContact OD1-O 2.89Å; E24-R112 IonicContact OE1-CZ 3.56Å; E24-R112 VanDerWaalsContact OE1-CZ 3.3Å; E24-R112 IonicContact OE1-NE 3.59Å; E24-R112 PolarHBondContact OE1-NE 2.9Å; E24-R112 IonicContact OE1-NH2 2.76Å; E24-R112 PolarHBondContact OE1-NH2 3.3Å; E24-S199 WeakPolarHBondContact OE2-CA 3.22Å; E24-S199 WeakPolarHBondContact OE2-CB 3.2Å; E24-E200 WeakPolarHBondContact CB-O 3.27Å; E24-E200 PolarHBondContact OE2-N 3.34Å; E24-A201 HydrophobicContact CG-CB 4.31Å; E24-T202 HydrophobicContact CB-CG2 4.49Å
25N96.1Very high96.9Very high57 Ų5754 Ų5431%0.30526%0.263SS..  trans-128.9145.6-163.8-70.4-80.7000110.9N18 L19 L22 P23 T202N18-N25 WeakPolarHBondContact OD1-CA 3.19Å; N18-N25 PolarHBondContact OD1-OD1 2.88Å; L19-N25 VanDerWaalsContact CA-OD1 3.27Å; L19-N25 WeakPolarHBondContact CA-OD1 3.42Å; L19-N25 HydrophobicContact CD2-CB 4.26Å; L19-N25 WeakPolarHBondContact CD2-OD1 3.47Å; L19-N25 WeakPolarHBondContact CG-OD1 3.44Å; L19-N25 PolarHBondContact N-OD1 2.99Å; L22-N25 PolarHBondContact O-ND2 3.49Å; P23-N25 VanDerWaalsContact C-ND2 3.28Å; P23-N25 PolarHBondContact O-ND2 3.21Å; N25-T202 WeakPolarHBondContact O-CG2 3.37Å
26Y95.9Very high96.8Very high18 Ų1857.9 Ų57.97%0.07129%0.285CS..  trans-121.4148.7-174.9-47.8-97.8000111.4Q15 Y30 T73 E200 A201 T202Q15-Y26 PolarHBondContact NE2-O 3.06Å; Y26-Y30 AromaticContact CD1-CD1 3.24Å; Y26-Y30 HydrophobicContact CD1-CD1 3.24Å; Y26-Y30 AromaticContact CD1-CE1 3.34Å; Y26-Y30 HydrophobicContact CD1-CE1 3.34Å; Y26-Y30 HydrophobicContact CD1-CG 4.24Å; Y26-Y30 AromaticContact CE1-CD1 3.96Å; Y26-Y30 HydrophobicContact CE1-CD1 3.96Å; Y26-Y30 AromaticContact CE1-CE1 3.55Å; Y26-Y30 HydrophobicContact CE1-CE1 3.55Å; Y26-Y30 AromaticContact CG-CD1 3.67Å; Y26-Y30 HydrophobicContact CG-CD1 3.67Å; Y26-Y30 HydrophobicContact CG-CE1 4.15Å; Y26-T73 HydrophobicContact CE1-CG2 4.25Å; Y26-T73 PolarHBondContact OH-O 3.08Å; Y26-E200 PolarHBondContact OH-O 3.47Å; Y26-A201 PolarHBondContact OH-O 3.16Å; Y26-T202 HydrophobicContact CD1-CG2 3.71Å; Y26-T202 HydrophobicContact CE1-CG2 3.61Å; Y26-T202 HydrophobicContact CG-CG2 4.31Å
27Q97.5Very high96.8Very high156 Ų15655.8 Ų55.873%0.72928%0.281SS*.  trans-68.4153170.7-65.5-169.9-14.600110.9K29 Y30Q27-K29 PolarHBondContact O-N 2.91Å; Q27-K29 VanDerWaalsContact O-N 3.12Å; Q27-Y30 WeakPolarHBondContact O-CB 3.45Å; Q27-Y30 PolarHBondContact O-N 3.37Å
28M97.6Very high96.8Very high39 Ų3956.6 Ų56.619%0.19228%0.284CS..Hα-helixtrans-58.2-30.8-177.7-16763.1-17600113.2L11 M12 Y30 Y31 F32L11-M28 HydrophobicContact CB-CE 3.5Å; L11-M28 VanDerWaalsContact CB-CE 3.5Å; M12-M28 HydrophobicContact CB-CE 4.27Å; M12-M28 HydrophobicContact CG-CE 3.4Å; M12-M28 VanDerWaalsContact CG-CE 3.4Å; M12-M28 HydrophobicContact CG-SD 4.1Å; M28-Y30 PolarHBondContact O-N 2.89Å; M28-Y31 PolarHBondContact O-N 3.06Å; M28-Y31 VanDerWaalsContact O-N 3.16Å; M28-F32 HydrophobicContact CE-CE1 3.9Å; M28-F32 HydrophobicContact CE-CE2 3.88Å; M28-F32 HydrophobicContact CE-CZ 3.53Å; M28-F32 HydrophobicContact CG-CD2 3.93Å; M28-F32 HydrophobicContact CG-CE2 3.5Å; M28-F32 HydrophobicContact CG-CZ 4.12Å; M28-F32 WeakPolarHBondContact O-CD2 3.3Å; M28-F32 PolarHBondContact O-N 3.2Å
29K97.9Very high96.9Very high168 Ų16859.2 Ų59.273%0.7330%0.301SS*.Hα-helixtrans-53.4-38.1172.7-178.2-177.4174.4-172.40112.1Q27 F32 Y33Q27-K29 PolarHBondContact O-N 2.91Å; Q27-K29 VanDerWaalsContact O-N 3.12Å; K29-F32 PolarHBondContact O-N 3.37Å; K29-Y33 PolarHBondContact O-N 3.08Å
30Y97.9Very high96.9Very high35 Ų3557.8 Ų57.814%0.13729%0.291CS..Hα-helixtrans-73.6-36.3-178.6-163-119.1000112.2Y26 Q27 M28 Y33 H34 T73Y26-Y30 AromaticContact CD1-CD1 3.24Å; Y26-Y30 HydrophobicContact CD1-CD1 3.24Å; Y26-Y30 AromaticContact CD1-CE1 3.34Å; Y26-Y30 HydrophobicContact CD1-CE1 3.34Å; Y26-Y30 HydrophobicContact CD1-CG 4.24Å; Y26-Y30 AromaticContact CE1-CD1 3.96Å; Y26-Y30 HydrophobicContact CE1-CD1 3.96Å; Y26-Y30 AromaticContact CE1-CE1 3.55Å; Y26-Y30 HydrophobicContact CE1-CE1 3.55Å; Y26-Y30 AromaticContact CG-CD1 3.67Å; Y26-Y30 HydrophobicContact CG-CD1 3.67Å; Y26-Y30 HydrophobicContact CG-CE1 4.15Å; Q27-Y30 WeakPolarHBondContact O-CB 3.45Å; Q27-Y30 PolarHBondContact O-N 3.37Å; M28-Y30 PolarHBondContact O-N 2.89Å; Y30-Y33 HydrophobicContact CD2-CD1 4.31Å; Y30-Y33 HydrophobicContact CE2-CD1 4.29Å; Y30-Y33 PolarHBondContact O-N 3.49Å; Y30-H34 AromaticContact CD1-CE1 3.78Å; Y30-H34 AromaticContact CE1-CE1 3.39Å; Y30-H34 WeakPolarHBondContact CE1-CE1 3.28Å; Y30-H34 AromaticContact CE2-CE1 3.94Å; Y30-H34 AromaticContact CZ-CE1 3.49Å; Y30-H34 VanDerWaalsContact CZ-CE1 3.49Å; Y30-H34 PolarHBondContact O-N 2.92Å; Y30-H34 VanDerWaalsContact O-N 3.14Å; Y30-H34 PolarHBondContact O-ND1 3.36Å; Y30-T73 HydrophobicContact CE1-CG2 3.6Å
31Y98.4Very high97Very high0 Ų052.6 Ų52.60%027%0.265CS..Hα-helixtrans-63.4-42.9170.4-72.3-90.2000111.7M14 Q15 N18 M28 H34 G35 L57M14-Y31 HydrophobicContact CB-CD1 4.42Å; M14-Y31 HydrophobicContact CB-CE1 4.19Å; Q15-Y31 HydrophobicContact CB-CD2 4.24Å; Q15-Y31 HydrophobicContact CB-CE1 4.39Å; Q15-Y31 HydrophobicContact CB-CE2 3.8Å; Q15-Y31 HydrophobicContact CG-CD2 4.38Å; Q15-Y31 HydrophobicContact CG-CE2 3.74Å; N18-Y31 WeakPolarHBondContact CB-OH 3.49Å; N18-Y31 PolarHBondContact OD1-OH 3.45Å; M28-Y31 PolarHBondContact O-N 3.06Å; M28-Y31 VanDerWaalsContact O-N 3.16Å; Y31-H34 PolarHBondContact O-N 3.11Å; Y31-G35 PolarHBondContact O-N 3.2Å; Y31-L57 HydrophobicContact CD1-CD1 4.17Å; Y31-L57 HydrophobicContact CD1-CD2 4.05Å; Y31-L57 HydrophobicContact CE1-CD2 3.97Å
32F98.3Very high97.2Very high88 Ų8852 Ų5239%0.38626%0.261SS..Hα-helixtrans-63.5-41.3174.8-73.9-51.6000112.3L11 M28 K29 H34 G35 L36L11-F32 HydrophobicContact CD1-CD1 3.51Å; L11-F32 HydrophobicContact CD1-CE1 3.87Å; L11-F32 HydrophobicContact CD1-CG 4.4Å; M28-F32 HydrophobicContact CE-CE1 3.9Å; M28-F32 HydrophobicContact CE-CE2 3.88Å; M28-F32 HydrophobicContact CE-CZ 3.53Å; M28-F32 HydrophobicContact CG-CD2 3.93Å; M28-F32 HydrophobicContact CG-CE2 3.5Å; M28-F32 HydrophobicContact CG-CZ 4.12Å; M28-F32 WeakPolarHBondContact O-CD2 3.3Å; M28-F32 PolarHBondContact O-N 3.2Å; K29-F32 PolarHBondContact O-N 3.37Å; F32-H34 VanDerWaalsContact C-N 3.32Å; F32-H34 PolarHBondContact O-N 3.42Å; F32-G35 PolarHBondContact O-N 3.14Å; F32-L36 HydrophobicContact CB-CD1 4.42Å; F32-L36 VanDerWaalsContact O-CB 3.27Å; F32-L36 WeakPolarHBondContact O-CB 2.92Å; F32-L36 WeakPolarHBondContact O-CG 3.43Å; F32-L36 PolarHBondContact O-N 2.93Å
33Y98.1Very high97.4Very high88 Ų8853.1 Ų53.135%0.34526%0.264SS..Hα-helixtrans-54.8-48.3174.3170.7-112.9000111.3K29 Y30 L36 S37 W38 E62K29-Y33 PolarHBondContact O-N 3.08Å; Y30-Y33 HydrophobicContact CD2-CD1 4.31Å; Y30-Y33 HydrophobicContact CE2-CD1 4.29Å; Y30-Y33 PolarHBondContact O-N 3.49Å; Y33-L36 PolarHBondContact O-N 3.26Å; Y33-S37 WeakPolarHBondContact CE2-OG 3.32Å; Y33-S37 VanDerWaalsContact O-CB 3.22Å; Y33-S37 WeakPolarHBondContact O-CB 3.14Å; Y33-S37 PolarHBondContact O-N 3.26Å; Y33-S37 PolarHBondContact O-OG 2.82Å; Y33-W38 HydrophobicContact CD1-CZ3 4.31Å; Y33-W38 AromaticContact CE1-CH2 3.89Å; Y33-W38 HydrophobicContact CE1-CH2 3.89Å; Y33-W38 AromaticContact CE1-CZ3 3.72Å; Y33-W38 HydrophobicContact CE1-CZ3 3.72Å; Y33-W38 AromaticContact CZ-CH2 3.71Å; Y33-W38 AromaticContact CZ-CZ3 3.91Å; Y33-W38 WeakPolarHBondContact OH-CH2 3.36Å; Y33-E62 PolarHBondContact OH-OE1 2.7Å
34H98.6Very high97.7Very high0 Ų049.7 Ų49.70%024%0.242CC..Hα-helixtrans-61.3-50175.5-7572.2000112.9Y30 Y31 F32 L36 W38 L57 T73Y30-H34 AromaticContact CD1-CE1 3.78Å; Y30-H34 AromaticContact CE1-CE1 3.39Å; Y30-H34 WeakPolarHBondContact CE1-CE1 3.28Å; Y30-H34 AromaticContact CE2-CE1 3.94Å; Y30-H34 AromaticContact CZ-CE1 3.49Å; Y30-H34 VanDerWaalsContact CZ-CE1 3.49Å; Y30-H34 PolarHBondContact O-N 2.92Å; Y30-H34 VanDerWaalsContact O-N 3.14Å; Y30-H34 PolarHBondContact O-ND1 3.36Å; Y31-H34 PolarHBondContact O-N 3.11Å; F32-H34 VanDerWaalsContact C-N 3.32Å; F32-H34 PolarHBondContact O-N 3.42Å; H34-L36 PolarHBondContact O-N 2.65Å; H34-W38 CarbonylContact O-C 3.6Å; H34-W38 PolarHBondContact O-N 3.38Å; H34-L57 HydrophobicContact CB-CD1 3.68Å; H34-L57 HydrophobicContact CB-CG 4.29Å; H34-T73 PolarHBondContact NE2-OG1 3.29Å
35G97.3Very high98Very high14 Ų1449 Ų4914%0.14424%0.239CC..Hα-helixtrans-67.6-21.8-175.900000114.2Y31 F32 P39Y31-G35 PolarHBondContact O-N 3.2Å; F32-G35 PolarHBondContact O-N 3.14Å; G35-P39 WeakPolarHBondContact O-CB 3.36Å
36L97.4Very high98.1Very high130 Ų13047.3 Ų47.368%0.68123%0.229SC*.Hα-helixtrans-96.7-33.5178.5-64.3174.4000112.6F32 Y33 H34F32-L36 HydrophobicContact CB-CD1 4.42Å; F32-L36 VanDerWaalsContact O-CB 3.27Å; F32-L36 WeakPolarHBondContact O-CB 2.92Å; F32-L36 WeakPolarHBondContact O-CG 3.43Å; F32-L36 PolarHBondContact O-N 2.93Å; Y33-L36 PolarHBondContact O-N 3.26Å; H34-L36 PolarHBondContact O-N 2.65Å
37S98Very high98.2Very high52 Ų5247.9 Ų47.936%0.36423%0.233SC..Hα-helixtrans-80.2-41.9178-61.30000112.4Y33Y33-S37 WeakPolarHBondContact CE2-OG 3.32Å; Y33-S37 VanDerWaalsContact O-CB 3.22Å; Y33-S37 WeakPolarHBondContact O-CB 3.14Å; Y33-S37 PolarHBondContact O-N 3.26Å; Y33-S37 PolarHBondContact O-OG 2.82Å
38W98.6Very high98.1Very high18 Ų1849.3 Ų49.37%0.06824%0.24CC..  trans-134.763.3-176.8-51.2-77.2000112.7Y33 H34 Q40 L41 K59 M60 E62 F102Y33-W38 HydrophobicContact CD1-CZ3 4.31Å; Y33-W38 AromaticContact CE1-CH2 3.89Å; Y33-W38 HydrophobicContact CE1-CH2 3.89Å; Y33-W38 AromaticContact CE1-CZ3 3.72Å; Y33-W38 HydrophobicContact CE1-CZ3 3.72Å; Y33-W38 AromaticContact CZ-CH2 3.71Å; Y33-W38 AromaticContact CZ-CZ3 3.91Å; Y33-W38 WeakPolarHBondContact OH-CH2 3.36Å; H34-W38 CarbonylContact O-C 3.6Å; H34-W38 PolarHBondContact O-N 3.38Å; W38-Q40 PolarHBondContact O-N 3.1Å; W38-L41 HydrophobicContact CB-CB 4.24Å; W38-L41 HydrophobicContact CB-CD1 3.71Å; W38-L41 HydrophobicContact CB-CG 3.85Å; W38-L41 HydrophobicContact CG-CD1 4.03Å; W38-L41 PolarHBondContact O-N 3.39Å; W38-L41 VanDerWaalsContact O-N 3.09Å; W38-K59 HydrophobicContact CD2-CB 3.99Å; W38-K59 HydrophobicContact CE3-CB 3.41Å; W38-K59 VanDerWaalsContact CE3-CB 3.41Å; W38-K59 HydrophobicContact CH2-CB 3.74Å; W38-K59 HydrophobicContact CH2-CD 4.43Å; W38-K59 HydrophobicContact CZ2-CB 4.28Å; W38-K59 HydrophobicContact CZ3-CB 3.28Å; W38-K59 HydrophobicContact CZ3-CD 4.44Å; W38-K59 HydrophobicContact CZ3-CG 4.43Å; W38-M60 HydrophobicContact CZ2-CB 4.43Å; W38-M60 VanDerWaalsContact CZ2-O 3.26Å; W38-M60 WeakPolarHBondContact CZ2-O 3.49Å; W38-E62 HydrophobicContact CH2-CG 4.31Å; W38-E62 VanDerWaalsContact CH2-OE1 3.27Å; W38-E62 WeakPolarHBondContact CH2-OE1 3.49Å; W38-E62 HydrophobicContact CZ2-CG 3.85Å; W38-E62 WeakPolarHBondContact CZ2-OE1 3.3Å; W38-F102 AromaticContact CD1-CE1 3.98Å; W38-F102 AromaticContact CD1-CZ 3.77Å
39P98.4Very high98Very high55 Ų5554.6 Ų54.636%0.35727%0.269SS..THydrogen-bonded Turntrans-57.2-26.3-174.119.8-30.5000113.8N5 G35N5-P39 PolarHBondContact ND2-O 3.12Å; N5-P39 PolarHBondContact OD1-O 3.14Å; G35-P39 WeakPolarHBondContact O-CB 3.36Å
40Q98.6Very high97.8Very high72 Ų7248.5 Ų48.534%0.33625%0.254SS..THydrogen-bonded Turntrans-78.4-16.3-177.3-55.582.9-0.800114.1N5 W38 Y43 A97N5-Q40 PolarHBondContact ND2-O 3.05Å; W38-Q40 PolarHBondContact O-N 3.1Å; Q40-Y43 VanDerWaalsContact O-CE2 3.26Å; Q40-Y43 WeakPolarHBondContact O-CE2 3.32Å; Q40-A97 VanDerWaalsContact O-CB 3.3Å; Q40-A97 WeakPolarHBondContact O-CB 3.47Å
41L98.8Very high97.8Very high0 Ų052.9 Ų52.90%027%0.274CS..THydrogen-bonded Turntrans-93.4-24.8-164.8-61.4-168.7000114.6W38 A58 M60 A94 A97 M98 F102W38-L41 HydrophobicContact CB-CB 4.24Å; W38-L41 HydrophobicContact CB-CD1 3.71Å; W38-L41 HydrophobicContact CB-CG 3.85Å; W38-L41 HydrophobicContact CG-CD1 4.03Å; W38-L41 PolarHBondContact O-N 3.39Å; W38-L41 VanDerWaalsContact O-N 3.09Å; L41-A58 HydrophobicContact CB-CB 4.08Å; L41-M60 HydrophobicContact CD1-CG 3.88Å; L41-M60 HydrophobicContact CD1-SD 4.04Å; L41-A94 WeakPolarHBondContact O-CB 3.18Å; L41-A97 HydrophobicContact CD2-CB 3.74Å; L41-M98 HydrophobicContact CD1-CG 4.09Å; L41-M98 HydrophobicContact CD2-CB 4.32Å; L41-M98 HydrophobicContact CD2-CG 3.74Å; L41-M98 HydrophobicContact CG-CG 4.48Å; L41-F102 HydrophobicContact CD1-CD2 4.14Å; L41-F102 HydrophobicContact CD1-CE2 3.91Å; L41-F102 HydrophobicContact CD2-CD2 3.9Å; L41-F102 HydrophobicContact CD2-CE2 3.66Å; L41-F102 HydrophobicContact CG-CD2 4.32Å; L41-F102 HydrophobicContact CG-CE2 3.78Å
42S98.8Very high97.8Very high5 Ų553.1 Ų53.14%0.03528%0.275CS..  trans-91.3138.3-178.4-61.90000110.9N5 A6 V56 A58N5-S42 PolarHBondContact ND2-O 3.43Å; A6-S42 WeakPolarHBondContact CB-O 3.26Å; A6-S42 PolarHBondContact N-O 2.98Å; S42-V56 VanDerWaalsContact CA-O 3.31Å; S42-V56 WeakPolarHBondContact CA-O 3.39Å; S42-V56 WeakPolarHBondContact CB-O 3.41Å; S42-A58 PolarHBondContact OG-N 3.34Å
43Y98.9Very high97.8Very high33 Ų3349 Ų4913%0.12926%0.257CS..EExtended strand (participates in β ladder)trans-132.8152.6-178.5-76-104.5000110.5I3 R4 N5 Q40 Y55 V56 Q93 A94 A97I3-Y43 HydrophobicContact CG2-CD1 4.4Å; R4-Y43 WeakPolarHBondContact O-CA 3.39Å; R4-Y43 WeakPolarHBondContact O-CD1 3.41Å; N5-Y43 HydrophobicContact CB-CD1 4.3Å; N5-Y43 HydrophobicContact CB-CE1 3.91Å; Q40-Y43 VanDerWaalsContact O-CE2 3.26Å; Q40-Y43 WeakPolarHBondContact O-CE2 3.32Å; Y43-Y55 CarbonylContact O-C 3.51Å; Y43-Y55 VanDerWaalsContact O-CA 3.31Å; Y43-Y55 WeakPolarHBondContact O-CA 3.03Å; Y43-V56 PolarHBondContact N-O 3.49Å; Y43-V56 PolarHBondContact O-N 3.08Å; Y43-Q93 HydrophobicContact CD1-CB 3.7Å; Y43-Q93 HydrophobicContact CD1-CG 4.21Å; Y43-Q93 HydrophobicContact CD2-CB 4.02Å; Y43-Q93 HydrophobicContact CE1-CB 3.69Å; Y43-Q93 HydrophobicContact CE1-CG 4.19Å; Y43-Q93 HydrophobicContact CE2-CB 4Å; Y43-Q93 HydrophobicContact CG-CB 3.89Å; Y43-A94 HydrophobicContact CD2-CB 4.42Å; Y43-A97 HydrophobicContact CE2-CB 4.2Å
44I98.9Very high97.8Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-124.8153.6175.758.7161.5000110.6I3 R4 A6 D10 M14 I52I3-I44 WeakPolarHBondContact CA-O 3.31Å; R4-I44 HydrophobicContact CG-CD1 4.45Å; R4-I44 HydrophobicContact CG-CG1 4.07Å; R4-I44 PolarHBondContact N-O 3.18Å; R4-I44 VanDerWaalsContact N-O 3.1Å; R4-I44 VanDerWaalsContact NH2-CD1 3.25Å; R4-I44 PolarHBondContact O-N 3.32Å; A6-I44 HydrophobicContact CB-CG2 3.99Å; D10-I44 HydrophobicContact CB-CD1 4.1Å; M14-I44 HydrophobicContact CG-CG2 3.68Å; M14-I44 HydrophobicContact SD-CG2 3.76Å; I44-I52 HydrophobicContact CB-CD1 4.26Å; I44-I52 HydrophobicContact CB-CG1 4.49Å; I44-I52 HydrophobicContact CD1-CD1 3.9Å; I44-I52 HydrophobicContact CD1-CG1 4Å; I44-I52 HydrophobicContact CG2-CD1 3.86Å
45A98.8Very high97.8Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-112.7124166.300000108.1N2 I3 V53 G54 L86 L90N2-A45 CarbonylContact O-C 3.57Å; N2-A45 VanDerWaalsContact O-CA 3.28Å; N2-A45 WeakPolarHBondContact O-CA 3.49Å; I3-A45 HydrophobicContact CG1-CB 4.14Å; A45-V53 HydrophobicContact CB-CG2 4.17Å; A45-V53 WeakPolarHBondContact O-CG2 3.41Å; A45-V53 PolarHBondContact O-N 2.82Å; A45-G54 PolarHBondContact N-O 2.93Å; A45-G54 PolarHBondContact O-N 3.47Å; A45-L86 HydrophobicContact CB-CD1 4.31Å; A45-L86 HydrophobicContact CB-CD2 4.38Å; A45-L90 HydrophobicContact CB-CD1 4.32Å; A45-L90 HydrophobicContact CB-CD2 4.41Å
46E98.1Very high97.9Very high23 Ų2344.1 Ų44.111%0.10723%0.234CC..EExtended strand (participates in β ladder)trans-120.8150.1179.466.1-167.4177.200111.7M1 N2 R4 K51M1-E46 CarbonylContact C-O 3.5Å; M1-E46 VanDerWaalsContact CA-O 3.23Å; M1-E46 WeakPolarHBondContact CA-O 3.43Å; N2-E46 HydrophobicContact CB-CG 3.82Å; N2-E46 PolarHBondContact N-O 2.9Å; N2-E46 PolarHBondContact ND2-OE1 2.88Å; N2-E46 PolarHBondContact O-N 3.22Å; R4-E46 IonicContact CZ-OE1 3.02Å; R4-E46 IonicContact CZ-OE2 3.55Å; R4-E46 VanDerWaalsContact NE-CD 3.3Å; R4-E46 IonicContact NE-OE1 3.25Å; R4-E46 PolarHBondContact NE-OE1 3.34Å; R4-E46 IonicContact NE-OE2 3.95Å; R4-E46 PolarHBondContact NE-OE2 2.76Å; R4-E46 VanDerWaalsContact NE-OE2 3.11Å; R4-E46 IonicContact NH2-OE1 3.06Å; R4-E46 IonicContact NH2-OE2 3.63Å; R4-E46 PolarHBondContact NH2-OE2 2.79Å; E46-K51 VanDerWaalsContact CA-O 3.25Å; E46-K51 WeakPolarHBondContact CA-O 3.25Å
47D96.7Very high98Very high29 Ų2938 Ų3816%0.15520%0.201CC..  trans-79.5-177.6171.570.215000111.8M1 N49 G50 K51 V53M1-D47 HydrophobicContact CE-CB 3.83Å; M1-D47 HydrophobicContact SD-CB 3.95Å; D47-N49 PolarHBondContact O-N 3.22Å; D47-N49 WeakPolarHBondContact OD1-CA 2.87Å; D47-N49 WeakPolarHBondContact OD1-CB 3.36Å; D47-N49 PolarHBondContact OD1-N 2.88Å; D47-G50 PolarHBondContact O-N 2.84Å; D47-G50 PolarHBondContact OD1-N 3.07Å; D47-K51 PolarHBondContact N-O 3.11Å; D47-K51 WeakPolarHBondContact OD1-CB 3.28Å; D47-K51 PolarHBondContact OD1-N 2.79Å; D47-K51 WeakPolarHBondContact OD2-CB 3.47Å; D47-V53 HydrophobicContact CB-CG1 4.16Å
48E95.2Very high98Very high187 Ų18735.5 Ų35.587%0.87418%0.184SC*.THydrogen-bonded Turntrans-64.9-18.4-178.2-64174.3-173.800113.1
49N96.2Very high98Very high149 Ų14935.2 Ų35.280%0.79718%0.183SC*.THydrogen-bonded Turntrans-94.47.1177.1-58-52.5000112.3D47 K51D47-N49 PolarHBondContact O-N 3.22Å; D47-N49 WeakPolarHBondContact OD1-CA 2.87Å; D47-N49 WeakPolarHBondContact OD1-CB 3.36Å; D47-N49 PolarHBondContact OD1-N 2.88Å; N49-K51 VanDerWaalsContact C-N 3.26Å; N49-K51 PolarHBondContact O-N 2.78Å
50G94.8Very high98Very high40 Ų4033.2 Ų33.241%0.41217%0.169SC..SBendtrans73.713.5-176.900000114D47D47-G50 PolarHBondContact O-N 2.84Å; D47-G50 PolarHBondContact OD1-N 3.07Å
51K97.2Very high97.9Very high128 Ų12832.3 Ų32.356%0.55717%0.165SC*.  trans-81.6127.9178-171.5-179.1-174.1173.10109.7E46 D47 N49 V53E46-K51 VanDerWaalsContact CA-O 3.25Å; E46-K51 WeakPolarHBondContact CA-O 3.25Å; D47-K51 PolarHBondContact N-O 3.11Å; D47-K51 WeakPolarHBondContact OD1-CB 3.28Å; D47-K51 PolarHBondContact OD1-N 2.79Å; D47-K51 WeakPolarHBondContact OD2-CB 3.47Å; N49-K51 VanDerWaalsContact C-N 3.26Å; N49-K51 PolarHBondContact O-N 2.78Å; K51-V53 PolarHBondContact O-N 3.28Å
52I98.4Very high97.4Very high5 Ų538.3 Ų38.33%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-63.8123.2174.4-61.4-173.8000109.9D10 N13 M14 C17 I44 G54 K78D10-I52 HydrophobicContact CB-CD1 4.14Å; N13-I52 HydrophobicContact CB-CB 4.46Å; N13-I52 HydrophobicContact CB-CD1 3.44Å; N13-I52 VanDerWaalsContact CB-CD1 3.44Å; N13-I52 HydrophobicContact CB-CG1 3.97Å; M14-I52 HydrophobicContact CG-CD1 3.94Å; C17-I52 HydrophobicContact CB-CG2 4.28Å; I44-I52 HydrophobicContact CB-CD1 4.26Å; I44-I52 HydrophobicContact CB-CG1 4.49Å; I44-I52 HydrophobicContact CD1-CD1 3.9Å; I44-I52 HydrophobicContact CD1-CG1 4Å; I44-I52 HydrophobicContact CG2-CD1 3.86Å; I52-G54 WeakPolarHBondContact CG2-O 3.19Å; I52-K78 VanDerWaalsContact O-CE 3.28Å; I52-K78 WeakPolarHBondContact O-CE 3.06Å; I52-K78 PolarHBondContact O-NZ 3.18Å
53V98.4Very high97Very high1 Ų142.2 Ų42.21%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-111.5-13.5175.8-61.50000112.8M1 A45 D47 K51 K78 H81 L86M1-V53 HydrophobicContact SD-CG2 3.74Å; A45-V53 HydrophobicContact CB-CG2 4.17Å; A45-V53 WeakPolarHBondContact O-CG2 3.41Å; A45-V53 PolarHBondContact O-N 2.82Å; D47-V53 HydrophobicContact CB-CG1 4.16Å; K51-V53 PolarHBondContact O-N 3.28Å; V53-K78 WeakPolarHBondContact O-CB 3.46Å; V53-K78 PolarHBondContact O-N 3.47Å; V53-H81 HydrophobicContact CB-CB 4.04Å; V53-H81 HydrophobicContact CG2-CB 4.29Å; V53-L86 HydrophobicContact CG2-CD1 4.13Å
54G98.6Very high96.3Very high0 Ų046.3 Ų46.30%024%0.244CC..EExtended strand (participates in β ladder)trans-165.3161.617000000111.5A45 I52 A76A45-G54 PolarHBondContact N-O 2.93Å; A45-G54 PolarHBondContact O-N 3.47Å; I52-G54 WeakPolarHBondContact CG2-O 3.19Å; G54-A76 CarbonylContact C-O 3.57Å; G54-A76 WeakPolarHBondContact CA-O 3.49Å
55Y98.9Very high95.9Very high0 Ų053.6 Ų53.60%028%0.283CS..EExtended strand (participates in β ladder)trans-152.1159.3177.674.4-87.2000110.7M14 C17 N18 Y43 L57 S74 L75 A76M14-Y55 HydrophobicContact CB-CG 4.29Å; M14-Y55 HydrophobicContact CE-CD2 3.69Å; M14-Y55 HydrophobicContact CE-CG 4.15Å; M14-Y55 HydrophobicContact CG-CG 4.23Å; C17-Y55 HydrophobicContact CB-CD1 3.85Å; C17-Y55 HydrophobicContact CB-CE1 3.99Å; N18-Y55 HydrophobicContact CB-CE1 4.08Å; N18-Y55 VanDerWaalsContact CB-OH 3.22Å; N18-Y55 WeakPolarHBondContact CB-OH 3.36Å; N18-Y55 PolarHBondContact ND2-OH 2.96Å; Y43-Y55 CarbonylContact O-C 3.51Å; Y43-Y55 VanDerWaalsContact O-CA 3.31Å; Y43-Y55 WeakPolarHBondContact O-CA 3.03Å; Y55-L57 HydrophobicContact CD2-CB 4.16Å; Y55-L57 HydrophobicContact CE2-CB 3.99Å; Y55-S74 PolarHBondContact OH-OG 3.3Å; Y55-L75 WeakPolarHBondContact O-CD1 3.35Å; Y55-A76 HydrophobicContact CD1-CB 4.2Å; Y55-A76 HydrophobicContact CE1-CB 3.59Å; Y55-A76 PolarHBondContact N-O 3.06Å; Y55-A76 PolarHBondContact O-N 2.76Å
56V98.9Very high95.6Very high0 Ų057.6 Ų57.60%030%0.304CS..EExtended strand (participates in β ladder)trans-123.6127.5161.561.80000108.1S42 Y43 I72 S74 L75 L90 M91 A94S42-V56 VanDerWaalsContact CA-O 3.31Å; S42-V56 WeakPolarHBondContact CA-O 3.39Å; S42-V56 WeakPolarHBondContact CB-O 3.41Å; Y43-V56 PolarHBondContact N-O 3.49Å; Y43-V56 PolarHBondContact O-N 3.08Å; V56-I72 HydrophobicContact CG2-CD1 4.06Å; V56-I72 HydrophobicContact CG2-CG2 4.09Å; V56-S74 CarbonylContact C-O 3.55Å; V56-S74 WeakPolarHBondContact CA-O 3.31Å; V56-L75 HydrophobicContact CB-CD1 3.76Å; V56-L75 HydrophobicContact CG2-CD1 4.07Å; V56-L90 HydrophobicContact CB-CB 4.18Å; V56-L90 HydrophobicContact CG1-CB 3.91Å; V56-L90 HydrophobicContact CG1-CD2 4.34Å; V56-M91 HydrophobicContact CG2-SD 4.04Å; V56-A94 HydrophobicContact CG1-CB 4.03Å; V56-A94 HydrophobicContact CG2-CB 4.37Å
57L98.9Very high95.4Very high0 Ų060.3 Ų60.30%032%0.322CS..EExtended strand (participates in β ladder)trans-107.1120.3172.3-173.773.6000107M14 Y31 H34 Y55 T73 S74M14-L57 HydrophobicContact CE-CB 4.23Å; M14-L57 HydrophobicContact CE-CD1 3.77Å; Y31-L57 HydrophobicContact CD1-CD1 4.17Å; Y31-L57 HydrophobicContact CD1-CD2 4.05Å; Y31-L57 HydrophobicContact CE1-CD2 3.97Å; H34-L57 HydrophobicContact CB-CD1 3.68Å; H34-L57 HydrophobicContact CB-CG 4.29Å; Y55-L57 HydrophobicContact CD2-CB 4.16Å; Y55-L57 HydrophobicContact CE2-CB 3.99Å; L57-T73 HydrophobicContact CD2-CG2 4.03Å; L57-T73 PolarHBondContact O-N 2.98Å; L57-S74 PolarHBondContact N-O 3.08Å; L57-S74 PolarHBondContact O-N 3.44Å; L57-S74 VanDerWaalsContact O-N 3.13Å
58A98.8Very high95.4Very high0 Ų062 Ų620%034%0.335CS..EExtended strand (participates in β ladder)trans-137.9149.9-173.100000111.8L41 S42 H71 I72 M98L41-A58 HydrophobicContact CB-CB 4.08Å; S42-A58 PolarHBondContact OG-N 3.34Å; A58-H71 WeakPolarHBondContact CA-O 3.33Å; A58-I72 HydrophobicContact CB-CD1 4.05Å; A58-M98 HydrophobicContact CB-CE 3.61Å
59K98.6Very high95.6Very high13 Ų1353.7 Ų53.76%0.05730%0.296CS..EExtended strand (participates in β ladder)trans-129170.7176.562.1173179.1153.20110.9W38 E61 G70 H71 E203W38-K59 HydrophobicContact CD2-CB 3.99Å; W38-K59 HydrophobicContact CE3-CB 3.41Å; W38-K59 VanDerWaalsContact CE3-CB 3.41Å; W38-K59 HydrophobicContact CH2-CB 3.74Å; W38-K59 HydrophobicContact CH2-CD 4.43Å; W38-K59 HydrophobicContact CZ2-CB 4.28Å; W38-K59 HydrophobicContact CZ3-CB 3.28Å; W38-K59 HydrophobicContact CZ3-CD 4.44Å; W38-K59 HydrophobicContact CZ3-CG 4.43Å; K59-E61 WeakPolarHBondContact CE-OE1 3.2Å; K59-E61 IonicContact NZ-OE1 2.73Å; K59-E61 PolarHBondContact NZ-OE1 3.1Å; K59-E61 IonicContact NZ-OE2 3.3Å; K59-E61 PolarHBondContact NZ-OE2 2.92Å; K59-G70 CarbonylContact O-C 3.45Å; K59-G70 WeakPolarHBondContact O-CA 3.38Å; K59-H71 VanDerWaalsContact CE-CD2 3.5Å; K59-H71 WeakPolarHBondContact CE-CD2 3.12Å; K59-H71 HydrophobicContact CG-CB 3.89Å; K59-H71 PolarHBondContact N-O 3.2Å; K59-H71 PolarHBondContact O-N 2.89Å; K59-E203 IonicContact NZ-OE2 2.84Å; K59-E203 PolarHBondContact NZ-OE2 2.76Å
60M98.5Very high95.7Very high12 Ų1246.6 Ų46.66%0.05926%0.258CS..EExtended strand (participates in β ladder)trans-93.3145.4156.2-64.7-60.7-6200108.2W38 L41 P68 H69 M98 F102 A104W38-M60 HydrophobicContact CZ2-CB 4.43Å; W38-M60 VanDerWaalsContact CZ2-O 3.26Å; W38-M60 WeakPolarHBondContact CZ2-O 3.49Å; L41-M60 HydrophobicContact CD1-CG 3.88Å; L41-M60 HydrophobicContact CD1-SD 4.04Å; M60-P68 HydrophobicContact CE-CB 4.32Å; M60-H69 VanDerWaalsContact CE-C 3.42Å; M60-H69 VanDerWaalsContact CE-O 3.28Å; M60-H69 WeakPolarHBondContact CE-O 3.35Å; M60-M98 HydrophobicContact SD-CB 4.33Å; M60-M98 HydrophobicContact SD-CG 4.21Å; M60-F102 HydrophobicContact CE-CB 3.65Å; M60-F102 HydrophobicContact CE-CG 4.43Å; M60-F102 HydrophobicContact CG-CB 3.94Å; M60-F102 HydrophobicContact CG-CD1 4.09Å; M60-F102 HydrophobicContact CG-CD2 3.85Å; M60-F102 HydrophobicContact CG-CE2 4.41Å; M60-F102 HydrophobicContact CG-CG 3.68Å; M60-F102 HydrophobicContact SD-CB 3.68Å; M60-F102 HydrophobicContact SD-CD2 3.95Å; M60-F102 HydrophobicContact SD-CG 3.93Å; M60-A104 HydrophobicContact CE-CB 3.9Å; M60-A104 HydrophobicContact SD-CB 4.36Å
61E96.7Very high95.9Very high54 Ų5445.4 Ų45.425%0.25224%0.242SC..  trans-71.7143.3164.8-72.5-56.2156.500110.4K59 H69 H71K59-E61 WeakPolarHBondContact CE-OE1 3.2Å; K59-E61 IonicContact NZ-OE1 2.73Å; K59-E61 PolarHBondContact NZ-OE1 3.1Å; K59-E61 IonicContact NZ-OE2 3.3Å; K59-E61 PolarHBondContact NZ-OE2 2.92Å; E61-H69 VanDerWaalsContact CG-NE2 3.26Å; E61-H69 WeakPolarHBondContact CG-NE2 3.41Å; E61-H69 PolarHBondContact N-O 2.72Å; E61-H71 HydrophobicContact CG-CB 4.13Å; E61-H71 VanDerWaalsContact OE1-CB 3.32Å; E61-H71 WeakPolarHBondContact OE1-CB 3.37Å; E61-H71 IonicContact OE1-CD2 3.49Å; E61-H71 IonicContact OE1-CG 3.83Å; E61-H71 IonicContact OE1-ND1 3.97Å
62E87.8Confident95.9Very high126 Ų12639.4 Ų39.459%0.58922%0.216SC*.  trans-102.80.3-170.5-63.1-176.7170.800113.3Y33 W38 P64Y33-E62 PolarHBondContact OH-OE1 2.7Å; W38-E62 HydrophobicContact CH2-CG 4.31Å; W38-E62 VanDerWaalsContact CH2-OE1 3.27Å; W38-E62 WeakPolarHBondContact CH2-OE1 3.49Å; W38-E62 HydrophobicContact CZ2-CG 3.85Å; W38-E62 WeakPolarHBondContact CZ2-OE1 3.3Å; E62-P64 WeakPolarHBondContact O-CD 3.31Å
63D90.9Very high95.9Very high87 Ų8739.5 Ų39.547%0.46522%0.217SC..  trans-66.7117.3179.4-168-31.3000110.8D65 D66D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 2.97Å; D63-D65 PolarHBondContact OD1-N 3.39Å; D63-D66 HydrophobicContact CB-CB 4.35Å; D63-D66 PolarHBondContact O-N 3Å
64P83.3Confident95.9Very high119 Ų11939.4 Ų39.477%0.77322%0.216SC*.THydrogen-bonded Turntrans-71.7-18.7-176.830.9-37000114E62 D66E62-P64 WeakPolarHBondContact O-CD 3.31Å; P64-D66 VanDerWaalsContact C-N 3.3Å
65D90.6Very high95.9Very high153 Ų15339.9 Ų39.982%0.81822%0.219SC*.THydrogen-bonded Turntrans-82-14.9179.9-68.5-36000111.9D63D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 2.97Å; D63-D65 PolarHBondContact OD1-N 3.39Å
66D91.4Very high95.9Very high83 Ų8340 Ų4044%0.44422%0.22SC..SBendtrans-93.1155179.9-97-8.7000113.3D63 P64 H69D63-D66 HydrophobicContact CB-CB 4.35Å; D63-D66 PolarHBondContact O-N 3Å; P64-D66 VanDerWaalsContact C-N 3.3Å; D66-H69 IonicContact OD2-CE1 3.41Å; D66-H69 PolarHBondContact OD2-CE1 3.46Å
67V95.3Very high95.8Very high80 Ų8040.7 Ų40.749%0.48522%0.224SC..PPolyproline II helixtrans-65.3141.1167.9-62.20000109.5H69 K105 Y106V67-H69 PolarHBondContact O-N 2.81Å; V67-H69 VanDerWaalsContact O-N 3.13Å; V67-H69 PolarHBondContact O-ND1 3.48Å; V67-K105 HydrophobicContact CB-CG 4.17Å; V67-K105 HydrophobicContact CG2-CB 4.27Å; V67-K105 HydrophobicContact CG2-CG 4.3Å; V67-Y106 HydrophobicContact CG2-CD1 4.09Å; V67-Y106 HydrophobicContact CG2-CE1 3.56Å
68P96.9Very high95.7Very high66 Ų6642 Ų4243%0.42923%0.23SC..PPolyproline II helixtrans-54.6123.4179.7-27.534.2000111.1M60 A104 K105M60-P68 HydrophobicContact CE-CB 4.32Å; P68-A104 CarbonylContact O-C 3.51Å; P68-A104 VanDerWaalsContact O-CA 3.32Å; P68-A104 WeakPolarHBondContact O-CA 3.42Å; P68-K105 PolarHBondContact O-N 3.42Å
69H98.2Very high95.5Very high12 Ų1249.1 Ų49.16%0.05626%0.257CS..  trans-147.7148.3-178.867.5-86.2000111.3M60 E61 D66 V67 Y106M60-H69 VanDerWaalsContact CE-C 3.42Å; M60-H69 VanDerWaalsContact CE-O 3.28Å; M60-H69 WeakPolarHBondContact CE-O 3.35Å; E61-H69 VanDerWaalsContact CG-NE2 3.26Å; E61-H69 WeakPolarHBondContact CG-NE2 3.41Å; E61-H69 PolarHBondContact N-O 2.72Å; D66-H69 IonicContact OD2-CE1 3.41Å; D66-H69 PolarHBondContact OD2-CE1 3.46Å; V67-H69 PolarHBondContact O-N 2.81Å; V67-H69 VanDerWaalsContact O-N 3.13Å; V67-H69 PolarHBondContact O-ND1 3.48Å; H69-Y106 WeakPolarHBondContact CA-O 3.26Å; H69-Y106 HydrophobicContact CB-CD1 3.73Å; H69-Y106 HydrophobicContact CB-CD2 3.75Å; H69-Y106 HydrophobicContact CB-CE1 3.58Å; H69-Y106 HydrophobicContact CB-CE2 3.62Å; H69-Y106 HydrophobicContact CB-CG 3.82Å; H69-Y106 WeakPolarHBondContact CB-O 3.34Å; H69-Y106 AromaticContact CD2-CE2 3.27Å; H69-Y106 WeakPolarHBondContact CD2-CE2 3.46Å; H69-Y106 AromaticContact CD2-CZ 3.49Å; H69-Y106 VanDerWaalsContact CD2-CZ 3.49Å; H69-Y106 AromaticContact CE1-CZ 3.89Å; H69-Y106 PolarHBondContact CE1-OH 2.96Å; H69-Y106 VanDerWaalsContact CE1-OH 3.3Å; H69-Y106 AromaticContact CG-CE1 3.79Å; H69-Y106 AromaticContact CG-CE2 3.47Å; H69-Y106 VanDerWaalsContact CG-CE2 3.47Å; H69-Y106 AromaticContact CG-CZ 3.28Å; H69-Y106 AromaticContact ND1-CZ 3.57Å; H69-Y106 PolarHBondContact ND1-OH 2.85Å; H69-Y106 AromaticContact NE2-CE2 3.86Å; H69-Y106 AromaticContact NE2-CZ 3.81Å; H69-Y106 PolarHBondContact NE2-OH 2.88Å
70G98.6Very high95.4Very high0 Ų053.1 Ų53.10%029%0.286CS..EExtended strand (participates in β ladder)trans-85.2159.2177.400000111.6K59 Y106 V107 S108K59-G70 CarbonylContact O-C 3.45Å; K59-G70 WeakPolarHBondContact O-CA 3.38Å; G70-Y106 PolarHBondContact N-O 2.86Å; G70-V107 CarbonylContact O-C 3.58Å; G70-V107 VanDerWaalsContact O-CA 3.26Å; G70-V107 WeakPolarHBondContact O-CA 3.47Å; G70-S108 PolarHBondContact O-N 2.8Å; G70-S108 PolarHBondContact O-OG 3.23Å
71H98.7Very high95.3Very high15 Ų1554.2 Ų54.27%0.06929%0.291CS..EExtended strand (participates in β ladder)trans-132136.5172.4-176.685.7000110.3A58 K59 E61 T73 S108 H110A58-H71 WeakPolarHBondContact CA-O 3.33Å; K59-H71 VanDerWaalsContact CE-CD2 3.5Å; K59-H71 WeakPolarHBondContact CE-CD2 3.12Å; K59-H71 HydrophobicContact CG-CB 3.89Å; K59-H71 PolarHBondContact N-O 3.2Å; K59-H71 PolarHBondContact O-N 2.89Å; E61-H71 HydrophobicContact CG-CB 4.13Å; E61-H71 VanDerWaalsContact OE1-CB 3.32Å; E61-H71 WeakPolarHBondContact OE1-CB 3.37Å; E61-H71 IonicContact OE1-CD2 3.49Å; E61-H71 IonicContact OE1-CG 3.83Å; E61-H71 IonicContact OE1-ND1 3.97Å; H71-T73 PolarHBondContact O-N 3.44Å; H71-S108 WeakPolarHBondContact CA-O 3.25Å; H71-S108 PolarHBondContact ND1-OG 3.31Å; H71-S108 VanDerWaalsContact ND1-OG 3.14Å; H71-H110 AromaticContact CE1-ND1 3.53Å
72I98.8Very high95.2Very high1 Ų155.2 Ų55.21%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-92.6100.4173.8-52.7-61.7000108.3V56 A58 L75 M91 M98 V107 S108 L109V56-I72 HydrophobicContact CG2-CD1 4.06Å; V56-I72 HydrophobicContact CG2-CG2 4.09Å; A58-I72 HydrophobicContact CB-CD1 4.05Å; I72-L75 HydrophobicContact CG2-CB 4.2Å; I72-M91 HydrophobicContact CD1-CE 3.9Å; I72-M91 HydrophobicContact CD1-SD 3.73Å; I72-M91 HydrophobicContact CG1-CE 3.59Å; I72-M91 HydrophobicContact CG1-SD 3.85Å; I72-M91 HydrophobicContact CG2-SD 4.1Å; I72-M98 HydrophobicContact CD1-CE 3.88Å; I72-V107 HydrophobicContact CD1-CG2 3.84Å; I72-V107 HydrophobicContact CG1-CG2 3.68Å; I72-S108 PolarHBondContact N-O 2.63Å; I72-L109 HydrophobicContact CB-CB 4.04Å; I72-L109 HydrophobicContact CG1-CD2 4.49Å
73T98.2Very high95.4Very high7 Ų760.6 Ų60.64%0.04331%0.308CS..EExtended strand (participates in β ladder)trans-67.7-40.9177.2-50.40000111.3Y26 Y30 H34 L57 H71Y26-T73 HydrophobicContact CE1-CG2 4.25Å; Y26-T73 PolarHBondContact OH-O 3.08Å; Y30-T73 HydrophobicContact CE1-CG2 3.6Å; H34-T73 PolarHBondContact NE2-OG1 3.29Å; L57-T73 HydrophobicContact CD2-CG2 4.03Å; L57-T73 PolarHBondContact O-N 2.98Å; H71-T73 PolarHBondContact O-N 3.44Å
74S98.3Very high95.5Very high0 Ų061.1 Ų61.10%031%0.31CS..EExtended strand (participates in β ladder)trans-161.4135.9-177.6-168.10000112.6L22 Y55 V56 L57L22-S74 WeakPolarHBondContact CD1-OG 3.4Å; Y55-S74 PolarHBondContact OH-OG 3.3Å; V56-S74 CarbonylContact C-O 3.55Å; V56-S74 WeakPolarHBondContact CA-O 3.31Å; L57-S74 PolarHBondContact N-O 3.08Å; L57-S74 PolarHBondContact O-N 3.44Å; L57-S74 VanDerWaalsContact O-N 3.13Å
75L98.5Very high96.1Very high9 Ų957 Ų575%0.04729%0.29CS..EExtended strand (participates in β ladder)trans-134.8122.9176.6177.772.7000109.7Y55 V56 I72 A87 L90 M91 L121 Y122Y55-L75 WeakPolarHBondContact O-CD1 3.35Å; V56-L75 HydrophobicContact CB-CD1 3.76Å; V56-L75 HydrophobicContact CG2-CD1 4.07Å; I72-L75 HydrophobicContact CG2-CB 4.2Å; L75-A87 HydrophobicContact CD2-CB 4.27Å; L75-L90 HydrophobicContact CD1-CB 4.36Å; L75-L90 HydrophobicContact CD1-CD1 4.48Å; L75-M91 HydrophobicContact CD1-CG 4.17Å; L75-M91 HydrophobicContact CD1-SD 4.28Å; L75-M91 HydrophobicContact CD2-CG 3.8Å; L75-M91 HydrophobicContact CD2-SD 3.91Å; L75-L121 HydrophobicContact CD2-CD2 4Å; L75-Y122 HydrophobicContact CD2-CE1 3.89Å
76A97.5Very high96.5Very high4 Ų450.1 Ų50.13%0.03325%0.253CS..EExtended strand (participates in β ladder)trans-141.1145.7177.100000112.4C21 L22 G54 Y55C21-A76 HydrophobicContact CB-CB 3.73Å; L22-A76 HydrophobicContact CD1-CB 4.31Å; L22-A76 HydrophobicContact CD2-CB 3.95Å; L22-A76 HydrophobicContact CG-CB 4.12Å; G54-A76 CarbonylContact C-O 3.57Å; G54-A76 WeakPolarHBondContact CA-O 3.49Å; Y55-A76 HydrophobicContact CD1-CB 4.2Å; Y55-A76 HydrophobicContact CE1-CB 3.59Å; Y55-A76 PolarHBondContact N-O 3.06Å; Y55-A76 PolarHBondContact O-N 2.76Å
77V98Very high96.8Very high14 Ų1447 Ų479%0.08524%0.239CC..EExtended strand (participates in β ladder)trans-134.2126.7167.8-178.60000108.1H81 R82 L86 A87V77-H81 HydrophobicContact CG1-CB 4.11Å; V77-H81 WeakPolarHBondContact CG1-O 3.07Å; V77-R82 HydrophobicContact CB-CG 4.39Å; V77-R82 HydrophobicContact CG1-CG 4.23Å; V77-R82 PolarHBondContact O-NE 2.89Å; V77-L86 HydrophobicContact CG1-CB 4.41Å; V77-L86 HydrophobicContact CG1-CD1 4.09Å; V77-L86 HydrophobicContact CG2-CB 4.19Å; V77-A87 HydrophobicContact CG2-CB 4.07Å
78K97.4Very high96.9Very high26 Ų2646.9 Ų46.911%0.11323%0.233CC..  trans-53.5140.2177.2-72.4-174.2179.31640110.1I52 V53 S80 H81 R82I52-K78 VanDerWaalsContact O-CE 3.28Å; I52-K78 WeakPolarHBondContact O-CE 3.06Å; I52-K78 PolarHBondContact O-NZ 3.18Å; V53-K78 WeakPolarHBondContact O-CB 3.46Å; V53-K78 PolarHBondContact O-N 3.47Å; K78-S80 PolarHBondContact O-N 3.35Å; K78-S80 VanDerWaalsContact O-N 3.14Å; K78-H81 CarbonylContact O-C 3.57Å; K78-H81 WeakPolarHBondContact O-CA 3.31Å; K78-H81 PolarHBondContact O-N 3.37Å; K78-R82 PolarHBondContact O-N 2.92Å
79R94.6Very high96.9Very high151 Ų15149.3 Ų49.357%0.5724%0.236SC*.G310 helixtrans-52.3-41.8-174.8-169.7177.6-173.6170.34.4113H81 R82 D194R79-H81 PolarHBondContact O-N 3.4Å; R79-H81 VanDerWaalsContact O-N 3.12Å; R79-R82 PolarHBondContact O-N 2.91Å; R79-D194 PolarHBondContact NH2-O 2.91Å
80S96.1Very high96.9Very high97 Ų9748.7 Ų48.768%0.67823%0.234SC*.G310 helixtrans-62-14.6177.748.10000114.8K78K78-S80 PolarHBondContact O-N 3.35Å; K78-S80 VanDerWaalsContact O-N 3.14Å
81H96.4Very high96.9Very high35 Ų3548.7 Ų48.716%0.16223%0.234CC..G310 helixtrans-122.411.6-175.6-64.877.6000112.8M1 V53 V77 K78 R79 L86M1-H81 WeakPolarHBondContact CE-CD2 3.07Å; M1-H81 WeakPolarHBondContact CE-NE2 3.43Å; V53-H81 HydrophobicContact CB-CB 4.04Å; V53-H81 HydrophobicContact CG2-CB 4.29Å; V77-H81 HydrophobicContact CG1-CB 4.11Å; V77-H81 WeakPolarHBondContact CG1-O 3.07Å; K78-H81 CarbonylContact O-C 3.57Å; K78-H81 WeakPolarHBondContact O-CA 3.31Å; K78-H81 PolarHBondContact O-N 3.37Å; R79-H81 PolarHBondContact O-N 3.4Å; R79-H81 VanDerWaalsContact O-N 3.12Å; H81-L86 HydrophobicContact CB-CD1 4.16Å
82R93.4Very high96.9Very high74 Ų7450.3 Ų50.328%0.27924%0.243SC..THydrogen-bonded Turntrans-73.5166.8174.6-68.5-178.3-175.7-178.6-1.8110.7V77 K78 R79 L84V77-R82 HydrophobicContact CB-CG 4.39Å; V77-R82 HydrophobicContact CG1-CG 4.23Å; V77-R82 PolarHBondContact O-NE 2.89Å; K78-R82 PolarHBondContact O-N 2.92Å; R79-R82 PolarHBondContact O-N 2.91Å; R82-L84 PolarHBondContact O-N 2.77Å; R82-L84 VanDerWaalsContact O-N 3.14Å
83R91.9Very high96.9Very high240 Ų24054 Ų5491%0.90626%0.26SS*.THydrogen-bonded Turntrans63.29.6-177.9-53.3-63.7-155.4-120.9-1115.4
84L94.3Very high97Very high97 Ų9753.7 Ų53.751%0.50826%0.258SS..SBendtrans-94.58.9173.5-60.2178.5000113.6R82 L86R82-L84 PolarHBondContact O-N 2.77Å; R82-L84 VanDerWaalsContact O-N 3.14Å; L84-L86 HydrophobicContact CB-CG 4.11Å; L84-L86 PolarHBondContact O-N 3.27Å
85G95.9Very high97Very high34 Ų3453.7 Ų53.735%0.35126%0.258SS..SBendtrans70.510.8-177.600000115.1A87 Q88 K89G85-A87 PolarHBondContact O-N 2.73Å; G85-Q88 PolarHBondContact O-N 3.06Å; G85-K89 WeakPolarHBondContact O-CG 3.27Å; G85-K89 PolarHBondContact O-N 3.02Å; G85-K89 VanDerWaalsContact O-N 3.15Å
86L97.8Very high97Very high8 Ų857 Ų574%0.04227%0.27CS..Hα-helixtrans-61.5-44.6-176.1-63.8179.2000112.9M1 I3 A45 V53 V77 H81 L84 Q88 K89 L90M1-L86 HydrophobicContact CB-CD2 4.02Å; M1-L86 HydrophobicContact CG-CD1 4.48Å; M1-L86 HydrophobicContact CG-CD2 4.39Å; I3-L86 HydrophobicContact CD1-CD2 4.22Å; A45-L86 HydrophobicContact CB-CD1 4.31Å; A45-L86 HydrophobicContact CB-CD2 4.38Å; V53-L86 HydrophobicContact CG2-CD1 4.13Å; V77-L86 HydrophobicContact CG1-CB 4.41Å; V77-L86 HydrophobicContact CG1-CD1 4.09Å; V77-L86 HydrophobicContact CG2-CB 4.19Å; H81-L86 HydrophobicContact CB-CD1 4.16Å; L84-L86 HydrophobicContact CB-CG 4.11Å; L84-L86 PolarHBondContact O-N 3.27Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 2.99Å; L86-K89 PolarHBondContact O-N 3.34Å; L86-L90 WeakPolarHBondContact O-CB 3.37Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.17Å; L86-L90 PolarHBondContact O-N 3.25Å
87A97.4Very high97Very high18 Ų1857 Ų5715%0.14927%0.269CS..Hα-helixtrans-59.3-42.3-179.600000111.9L75 V77 G85 L90 M91 L121L75-A87 HydrophobicContact CD2-CB 4.27Å; V77-A87 HydrophobicContact CG2-CB 4.07Å; G85-A87 PolarHBondContact O-N 2.73Å; A87-L90 PolarHBondContact O-N 3.49Å; A87-M91 WeakPolarHBondContact O-CB 3.22Å; A87-M91 WeakPolarHBondContact O-CG 3.4Å; A87-M91 PolarHBondContact O-N 3.01Å; A87-L121 HydrophobicContact CB-CD1 4.29Å; A87-L121 HydrophobicContact CB-CD2 3.74Å
88Q97.3Very high97.1Very high77 Ų7756.3 Ų56.336%0.3627%0.265SS..Hα-helixtrans-62.5-49.7175.7171.8176.34.100111.4G85 L86 L90 M91 D92 T125 L126G85-Q88 PolarHBondContact O-N 3.06Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 2.99Å; Q88-L90 VanDerWaalsContact C-N 3.32Å; Q88-L90 PolarHBondContact O-N 2.8Å; Q88-M91 PolarHBondContact O-N 2.86Å; Q88-D92 WeakPolarHBondContact CG-OD2 3.08Å; Q88-D92 VanDerWaalsContact O-CG 3.27Å; Q88-D92 PolarHBondContact O-N 3.13Å; Q88-T125 HydrophobicContact CB-CG2 4.35Å; Q88-T125 HydrophobicContact CG-CG2 4.3Å; Q88-L126 HydrophobicContact CB-CD2 4.13Å; Q88-L126 HydrophobicContact CG-CD2 3.81Å
89K98.3Very high97.1Very high116 Ų11655.7 Ų55.750%0.50426%0.263SS..Hα-helixtrans-61-40-179.7-68.3175.6-180178.60112.4I3 G85 L86 D92 Q93I3-K89 HydrophobicContact CD1-CB 3.36Å; I3-K89 HydrophobicContact CD1-CD 3.79Å; I3-K89 HydrophobicContact CD1-CG 4.22Å; G85-K89 WeakPolarHBondContact O-CG 3.27Å; G85-K89 PolarHBondContact O-N 3.02Å; G85-K89 VanDerWaalsContact O-N 3.15Å; L86-K89 PolarHBondContact O-N 3.34Å; K89-D92 PolarHBondContact O-N 3.07Å; K89-Q93 WeakPolarHBondContact O-CG 3.15Å; K89-Q93 PolarHBondContact O-N 3.09Å; K89-Q93 VanDerWaalsContact O-N 3.08Å
90L98.8Very high97.3Very high0 Ų053.7 Ų53.70%026%0.26CS..Hα-helixtrans-61.6-48175.2-73.4166.9000111.3I3 A45 V56 L75 L86 A87 Q88 D92 Q93 A94I3-L90 HydrophobicContact CG2-CD2 4.04Å; A45-L90 HydrophobicContact CB-CD1 4.32Å; A45-L90 HydrophobicContact CB-CD2 4.41Å; V56-L90 HydrophobicContact CB-CB 4.18Å; V56-L90 HydrophobicContact CG1-CB 3.91Å; V56-L90 HydrophobicContact CG1-CD2 4.34Å; L75-L90 HydrophobicContact CD1-CB 4.36Å; L75-L90 HydrophobicContact CD1-CD1 4.48Å; L86-L90 WeakPolarHBondContact O-CB 3.37Å; L86-L90 VanDerWaalsContact O-CG 3.3Å; L86-L90 WeakPolarHBondContact O-CG 3.17Å; L86-L90 PolarHBondContact O-N 3.25Å; A87-L90 PolarHBondContact O-N 3.49Å; Q88-L90 VanDerWaalsContact C-N 3.32Å; Q88-L90 PolarHBondContact O-N 2.8Å; L90-D92 PolarHBondContact O-N 3.37Å; L90-Q93 PolarHBondContact O-N 3.35Å; L90-A94 PolarHBondContact O-N 3.02Å
91M98.6Very high97.4Very high0 Ų052.8 Ų52.80%025%0.248CC..Hα-helixtrans-63.2-39.5178.6-71.6-70.8-6800112.8V56 I72 L75 A87 Q88 A94 S95 L109 Y122 L126 F128V56-M91 HydrophobicContact CG2-SD 4.04Å; I72-M91 HydrophobicContact CD1-CE 3.9Å; I72-M91 HydrophobicContact CD1-SD 3.73Å; I72-M91 HydrophobicContact CG1-CE 3.59Å; I72-M91 HydrophobicContact CG1-SD 3.85Å; I72-M91 HydrophobicContact CG2-SD 4.1Å; L75-M91 HydrophobicContact CD1-CG 4.17Å; L75-M91 HydrophobicContact CD1-SD 4.28Å; L75-M91 HydrophobicContact CD2-CG 3.8Å; L75-M91 HydrophobicContact CD2-SD 3.91Å; A87-M91 WeakPolarHBondContact O-CB 3.22Å; A87-M91 WeakPolarHBondContact O-CG 3.4Å; A87-M91 PolarHBondContact O-N 3.01Å; Q88-M91 PolarHBondContact O-N 2.86Å; M91-A94 PolarHBondContact O-N 3.49Å; M91-S95 WeakPolarHBondContact O-CB 2.91Å; M91-S95 PolarHBondContact O-N 3.2Å; M91-S95 PolarHBondContact O-OG 2.88Å; M91-S95 VanDerWaalsContact O-OG 3.08Å; M91-L109 HydrophobicContact CE-CD2 4.33Å; M91-Y122 HydrophobicContact CE-CE1 4.39Å; M91-L126 HydrophobicContact CB-CD1 3.93Å; M91-L126 HydrophobicContact CB-CD2 4.27Å; M91-L126 HydrophobicContact CE-CD1 4.19Å; M91-L126 HydrophobicContact CG-CD1 3.76Å; M91-F128 HydrophobicContact CE-CE2 3.73Å; M91-F128 HydrophobicContact CE-CZ 3.59Å
92D98.3Very high97.4Very high49 Ų4954.1 Ų54.126%0.26225%0.253SS..Hα-helixtrans-67.2-39.5178.1-68.2-21.6000111.5Q88 K89 L90 R96 R149Q88-D92 WeakPolarHBondContact CG-OD2 3.08Å; Q88-D92 VanDerWaalsContact O-CG 3.27Å; Q88-D92 PolarHBondContact O-N 3.13Å; K89-D92 PolarHBondContact O-N 3.07Å; L90-D92 PolarHBondContact O-N 3.37Å; D92-R96 WeakPolarHBondContact O-CB 3.33Å; D92-R96 PolarHBondContact O-N 2.81Å; D92-R149 IonicContact OD1-NH1 3.77Å; D92-R149 PolarHBondContact OD1-NH1 3.23Å; D92-R149 IonicContact OD1-NH2 2.82Å
93Q98.8Very high97.6Very high79 Ų7954.4 Ų54.437%0.36926%0.261SS..Hα-helixtrans-65-46.7173.6-70.1-61.7-30.700112.4I3 Y43 K89 L90 S95 R96 A97I3-Q93 HydrophobicContact CG2-CG 4.27Å; Y43-Q93 HydrophobicContact CD1-CB 3.7Å; Y43-Q93 HydrophobicContact CD1-CG 4.21Å; Y43-Q93 HydrophobicContact CD2-CB 4.02Å; Y43-Q93 HydrophobicContact CE1-CB 3.69Å; Y43-Q93 HydrophobicContact CE1-CG 4.19Å; Y43-Q93 HydrophobicContact CE2-CB 4Å; Y43-Q93 HydrophobicContact CG-CB 3.89Å; K89-Q93 WeakPolarHBondContact O-CG 3.15Å; K89-Q93 PolarHBondContact O-N 3.09Å; K89-Q93 VanDerWaalsContact O-N 3.08Å; L90-Q93 PolarHBondContact O-N 3.35Å; Q93-S95 PolarHBondContact O-N 2.97Å; Q93-R96 PolarHBondContact O-N 2.68Å; Q93-A97 PolarHBondContact O-N 3.11Å
94A98.8Very high97.9Very high0 Ų043.1 Ų43.10%022%0.219CC..Hα-helixtrans-60.1-45.9177.500000111.5L41 Y43 V56 L90 M91 A97 M98L41-A94 WeakPolarHBondContact O-CB 3.18Å; Y43-A94 HydrophobicContact CD2-CB 4.42Å; V56-A94 HydrophobicContact CG1-CB 4.03Å; V56-A94 HydrophobicContact CG2-CB 4.37Å; L90-A94 PolarHBondContact O-N 3.02Å; M91-A94 PolarHBondContact O-N 3.49Å; A94-A97 WeakPolarHBondContact O-CB 3.21Å; A94-A97 PolarHBondContact O-N 2.93Å; A94-M98 VanDerWaalsContact O-CG 3.27Å; A94-M98 WeakPolarHBondContact O-CG 3.46Å; A94-M98 PolarHBondContact O-N 3.31Å
95S98.6Very high98.1Very high0 Ų042.3 Ų42.30%021%0.211CC..Hα-helixtrans-67.6-38.1179.7-67.70000113.4M91 Q93 A97 M98 I99 R149M91-S95 WeakPolarHBondContact O-CB 2.91Å; M91-S95 PolarHBondContact O-N 3.2Å; M91-S95 PolarHBondContact O-OG 2.88Å; M91-S95 VanDerWaalsContact O-OG 3.08Å; Q93-S95 PolarHBondContact O-N 2.97Å; S95-A97 VanDerWaalsContact C-N 3.31Å; S95-A97 PolarHBondContact O-N 3.45Å; S95-M98 WeakPolarHBondContact O-CB 3.42Å; S95-M98 PolarHBondContact O-N 2.88Å; S95-I99 WeakPolarHBondContact O-CG1 3.49Å; S95-I99 PolarHBondContact O-N 2.94Å; S95-I99 VanDerWaalsContact O-N 3.09Å; S95-R149 PolarHBondContact OG-NH2 2.9Å
96R98.6Very high98.2Very high78 Ų7842 Ų4229%0.29420%0.199SC..Hα-helixtrans-58-46.5170.8177.6176-179.5152.49.7110.9D92 Q93 M98 I99 E100 L158D92-R96 WeakPolarHBondContact O-CB 3.33Å; D92-R96 PolarHBondContact O-N 2.81Å; Q93-R96 PolarHBondContact O-N 2.68Å; R96-M98 VanDerWaalsContact C-N 3.34Å; R96-M98 PolarHBondContact O-N 3.5Å; R96-I99 PolarHBondContact O-N 2.98Å; R96-E100 HydrophobicContact CG-CG 4.31Å; R96-E100 IonicContact CZ-OE1 2.78Å; R96-E100 VanDerWaalsContact CZ-OE1 3.29Å; R96-E100 IonicContact NE-OE1 3.34Å; R96-E100 PolarHBondContact NE-OE1 3.39Å; R96-E100 IonicContact NE-OE2 2.94Å; R96-E100 IonicContact NH2-OE1 3.23Å; R96-E100 PolarHBondContact NH2-OE1 3.08Å; R96-E100 WeakPolarHBondContact O-CG 3.46Å; R96-E100 PolarHBondContact O-N 2.86Å; R96-L158 HydrophobicContact CG-CD1 4.01Å; R96-L158 HydrophobicContact CG-CD2 4.3Å
97A98.6Very high98.2Very high3 Ų341.6 Ų41.63%0.02520%0.197CC..Hα-helixtrans-63.6-37.4178.300000112.5Q40 L41 Y43 Q93 A94 S95 I99 E100 N101Q40-A97 VanDerWaalsContact O-CB 3.3Å; Q40-A97 WeakPolarHBondContact O-CB 3.47Å; L41-A97 HydrophobicContact CD2-CB 3.74Å; Y43-A97 HydrophobicContact CE2-CB 4.2Å; Q93-A97 PolarHBondContact O-N 3.11Å; A94-A97 WeakPolarHBondContact O-CB 3.21Å; A94-A97 PolarHBondContact O-N 2.93Å; S95-A97 VanDerWaalsContact C-N 3.31Å; S95-A97 PolarHBondContact O-N 3.45Å; A97-I99 VanDerWaalsContact C-N 3.32Å; A97-I99 PolarHBondContact O-N 2.85Å; A97-E100 PolarHBondContact O-N 3.38Å; A97-N101 WeakPolarHBondContact O-CB 3.24Å; A97-N101 PolarHBondContact O-N 2.94Å; A97-N101 PolarHBondContact O-ND2 2.83Å
98M98.7Very high98.3Very high0 Ų041.4 Ų41.40%020%0.195CC..Hα-helixtrans-59.5-41.9173.5-69165.8175.600111.9L41 A58 M60 I72 A94 S95 R96 F102 N103 A104 V107L41-M98 HydrophobicContact CD1-CG 4.09Å; L41-M98 HydrophobicContact CD2-CB 4.32Å; L41-M98 HydrophobicContact CD2-CG 3.74Å; L41-M98 HydrophobicContact CG-CG 4.48Å; A58-M98 HydrophobicContact CB-CE 3.61Å; M60-M98 HydrophobicContact SD-CB 4.33Å; M60-M98 HydrophobicContact SD-CG 4.21Å; I72-M98 HydrophobicContact CD1-CE 3.88Å; A94-M98 VanDerWaalsContact O-CG 3.27Å; A94-M98 WeakPolarHBondContact O-CG 3.46Å; A94-M98 PolarHBondContact O-N 3.31Å; S95-M98 WeakPolarHBondContact O-CB 3.42Å; S95-M98 PolarHBondContact O-N 2.88Å; R96-M98 VanDerWaalsContact C-N 3.34Å; R96-M98 PolarHBondContact O-N 3.5Å; M98-F102 CarbonylContact O-C 3.5Å; M98-F102 WeakPolarHBondContact O-CA 3.31Å; M98-F102 WeakPolarHBondContact O-CB 3.47Å; M98-F102 PolarHBondContact O-N 2.9Å; M98-F102 VanDerWaalsContact O-N 3.11Å; M98-N103 PolarHBondContact O-N 2.79Å; M98-A104 HydrophobicContact CB-CB 3.69Å; M98-A104 WeakPolarHBondContact O-CB 3.34Å; M98-A104 PolarHBondContact O-N 3.03Å; M98-V107 HydrophobicContact CE-CG2 3.93Å; M98-V107 HydrophobicContact SD-CB 3.99Å; M98-V107 HydrophobicContact SD-CG2 3.81Å
99I98.5Very high98.3Very high14 Ų1437.8 Ų37.87%0.07218%0.178CC..Hα-helixtrans-68.4-52.8177.5-62.6161.6000110.6S95 R96 A97 N101 N103 L151 M154 A155 L158S95-I99 WeakPolarHBondContact O-CG1 3.49Å; S95-I99 PolarHBondContact O-N 2.94Å; S95-I99 VanDerWaalsContact O-N 3.09Å; R96-I99 PolarHBondContact O-N 2.98Å; A97-I99 VanDerWaalsContact C-N 3.32Å; A97-I99 PolarHBondContact O-N 2.85Å; I99-N101 PolarHBondContact O-N 3.36Å; I99-N103 VanDerWaalsContact O-CA 3.25Å; I99-N103 WeakPolarHBondContact O-CA 3.41Å; I99-N103 PolarHBondContact O-N 3.04Å; I99-L151 HydrophobicContact CD1-CB 3.99Å; I99-L151 HydrophobicContact CD1-CD1 4.39Å; I99-L151 HydrophobicContact CD1-CD2 4.45Å; I99-L151 HydrophobicContact CG1-CB 4.06Å; I99-L151 HydrophobicContact CG1-CD1 3.99Å; I99-M154 HydrophobicContact CD1-CB 3.84Å; I99-M154 HydrophobicContact CD1-CG 3.59Å; I99-M154 HydrophobicContact CD1-SD 3.59Å; I99-M154 VanDerWaalsContact CD1-SD 3.59Å; I99-A155 HydrophobicContact CD1-CB 4.34Å; I99-A155 HydrophobicContact CG2-CB 3.69Å; I99-L158 HydrophobicContact CB-CD1 4.41Å; I99-L158 HydrophobicContact CD1-CD1 4.13Å; I99-L158 HydrophobicContact CG2-CD1 4.18Å
100E98.2Very high98.4Very high109 Ų10933.5 Ų33.551%0.50916%0.16SC..Hα-helixtrans-67.3-36.3-171.3-72.1176.1163.500112.6R96 A97 L158R96-E100 HydrophobicContact CG-CG 4.31Å; R96-E100 IonicContact CZ-OE1 2.78Å; R96-E100 VanDerWaalsContact CZ-OE1 3.29Å; R96-E100 IonicContact NE-OE1 3.34Å; R96-E100 PolarHBondContact NE-OE1 3.39Å; R96-E100 IonicContact NE-OE2 2.94Å; R96-E100 IonicContact NH2-OE1 3.23Å; R96-E100 PolarHBondContact NH2-OE1 3.08Å; R96-E100 WeakPolarHBondContact O-CG 3.46Å; R96-E100 PolarHBondContact O-N 2.86Å; A97-E100 PolarHBondContact O-N 3.38Å; E100-L158 HydrophobicContact CG-CD1 4.4Å
101N98.1Very high98.3Very high78 Ų7833.5 Ų33.542%0.41716%0.16SC..Hα-helixtrans-97.4-29-174.5-63-87.3000113.2A97 I99A97-N101 WeakPolarHBondContact O-CB 3.24Å; A97-N101 PolarHBondContact O-N 2.94Å; A97-N101 PolarHBondContact O-ND2 2.83Å; I99-N101 PolarHBondContact O-N 3.36Å
102F97.4Very high98.3Very high63 Ų6334.5 Ų34.528%0.27616%0.163SC..Hα-helixtrans-1314.6-169.9-51.8-78.5000113.8W38 L41 M60 M98 A104W38-F102 AromaticContact CD1-CE1 3.98Å; W38-F102 AromaticContact CD1-CZ 3.77Å; L41-F102 HydrophobicContact CD1-CD2 4.14Å; L41-F102 HydrophobicContact CD1-CE2 3.91Å; L41-F102 HydrophobicContact CD2-CD2 3.9Å; 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 3.65Å; M60-F102 HydrophobicContact CE-CG 4.43Å; M60-F102 HydrophobicContact CG-CB 3.94Å; M60-F102 HydrophobicContact CG-CD1 4.09Å; M60-F102 HydrophobicContact CG-CD2 3.85Å; M60-F102 HydrophobicContact CG-CE2 4.41Å; M60-F102 HydrophobicContact CG-CG 3.68Å; M60-F102 HydrophobicContact SD-CB 3.68Å; M60-F102 HydrophobicContact SD-CD2 3.95Å; M60-F102 HydrophobicContact SD-CG 3.93Å; M98-F102 CarbonylContact O-C 3.5Å; M98-F102 WeakPolarHBondContact O-CA 3.31Å; M98-F102 WeakPolarHBondContact O-CB 3.47Å; M98-F102 PolarHBondContact O-N 2.9Å; M98-F102 VanDerWaalsContact O-N 3.11Å; F102-A104 PolarHBondContact O-N 3.06Å; F102-A104 VanDerWaalsContact O-N 3.15Å
103N96.7Very high98.2Very high80 Ų8035.7 Ų35.743%0.42817%0.166SC..  trans55.131.5178.7-162.233.8000113.6M98 I99 K105M98-N103 PolarHBondContact O-N 2.79Å; I99-N103 VanDerWaalsContact O-CA 3.25Å; I99-N103 WeakPolarHBondContact O-CA 3.41Å; I99-N103 PolarHBondContact O-N 3.04Å; N103-K105 PolarHBondContact ND2-NZ 3.37Å; N103-K105 WeakPolarHBondContact O-CE 3.43Å; N103-K105 PolarHBondContact O-N 2.82Å; N103-K105 PolarHBondContact O-NZ 3.13Å; N103-K105 VanDerWaalsContact O-NZ 3.09Å; N103-K105 PolarHBondContact OD1-NZ 2.86Å; N103-K105 VanDerWaalsContact OD1-NZ 3.17Å
104A98.2Very high98.1Very high3 Ų335.6 Ų35.63%0.02517%0.174CC..  trans-54.8135.2-17700000112M60 P68 M98 F102 L151M60-A104 HydrophobicContact CE-CB 3.9Å; M60-A104 HydrophobicContact SD-CB 4.36Å; P68-A104 CarbonylContact O-C 3.51Å; P68-A104 VanDerWaalsContact O-CA 3.32Å; P68-A104 WeakPolarHBondContact O-CA 3.42Å; M98-A104 HydrophobicContact CB-CB 3.69Å; M98-A104 WeakPolarHBondContact O-CB 3.34Å; M98-A104 PolarHBondContact O-N 3.03Å; F102-A104 PolarHBondContact O-N 3.06Å; F102-A104 VanDerWaalsContact O-N 3.15Å; A104-L151 HydrophobicContact CB-CD1 4.13Å
105K98.1Very high98Very high79 Ų7936 Ų3634%0.34318%0.177SC..SBendtrans-89.2-33.5-179.7-55.5-52.5172-154.20112.7V67 P68 N103 L151V67-K105 HydrophobicContact CB-CG 4.17Å; V67-K105 HydrophobicContact CG2-CB 4.27Å; V67-K105 HydrophobicContact CG2-CG 4.3Å; P68-K105 PolarHBondContact O-N 3.42Å; N103-K105 PolarHBondContact ND2-NZ 3.37Å; N103-K105 WeakPolarHBondContact O-CE 3.43Å; N103-K105 PolarHBondContact O-N 2.82Å; N103-K105 PolarHBondContact O-NZ 3.13Å; N103-K105 VanDerWaalsContact O-NZ 3.09Å; N103-K105 PolarHBondContact OD1-NZ 2.86Å; N103-K105 VanDerWaalsContact OD1-NZ 3.17Å; K105-L151 WeakPolarHBondContact O-CB 3.37Å; K105-L151 PolarHBondContact O-N 3.12Å
106Y98.5Very high97.8Very high28 Ų2846.3 Ų46.311%0.1122%0.215CC..EExtended strand (participates in β ladder)trans-147.8172.8175.365.4-91.1000109.9V67 H69 G70 K148 R149V67-Y106 HydrophobicContact CG2-CD1 4.09Å; V67-Y106 HydrophobicContact CG2-CE1 3.56Å; H69-Y106 WeakPolarHBondContact CA-O 3.26Å; H69-Y106 HydrophobicContact CB-CD1 3.73Å; H69-Y106 HydrophobicContact CB-CD2 3.75Å; H69-Y106 HydrophobicContact CB-CE1 3.58Å; H69-Y106 HydrophobicContact CB-CE2 3.62Å; H69-Y106 HydrophobicContact CB-CG 3.82Å; H69-Y106 WeakPolarHBondContact CB-O 3.34Å; H69-Y106 AromaticContact CD2-CE2 3.27Å; H69-Y106 WeakPolarHBondContact CD2-CE2 3.46Å; H69-Y106 AromaticContact CD2-CZ 3.49Å; H69-Y106 VanDerWaalsContact CD2-CZ 3.49Å; H69-Y106 AromaticContact CE1-CZ 3.89Å; H69-Y106 PolarHBondContact CE1-OH 2.96Å; H69-Y106 VanDerWaalsContact CE1-OH 3.3Å; H69-Y106 AromaticContact CG-CE1 3.79Å; H69-Y106 AromaticContact CG-CE2 3.47Å; H69-Y106 VanDerWaalsContact CG-CE2 3.47Å; H69-Y106 AromaticContact CG-CZ 3.28Å; H69-Y106 AromaticContact ND1-CZ 3.57Å; H69-Y106 PolarHBondContact ND1-OH 2.85Å; H69-Y106 AromaticContact NE2-CE2 3.86Å; H69-Y106 AromaticContact NE2-CZ 3.81Å; H69-Y106 PolarHBondContact NE2-OH 2.88Å; G70-Y106 PolarHBondContact N-O 2.86Å; Y106-K148 HydrophobicContact CD2-CB 4.27Å; Y106-K148 HydrophobicContact CD2-CD 3.93Å; Y106-K148 HydrophobicContact CD2-CG 4.11Å; Y106-K148 HydrophobicContact CE2-CD 3.61Å; Y106-K148 HydrophobicContact CE2-CG 4.09Å; Y106-K148 PolarHBondContact OH-NZ 3.11Å; Y106-R149 CarbonylContact C-O 3.57Å; Y106-R149 WeakPolarHBondContact CA-O 3.39Å; Y106-R149 VanDerWaalsContact CB-O 3.25Å; Y106-R149 WeakPolarHBondContact CB-O 3.35Å
107V98.6Very high97.4Very high0 Ų045.2 Ų45.20%022%0.223CC..EExtended strand (participates in β ladder)trans-124.4137.4168.356.20000109.5G70 I72 M98 F128 K148 R149 L151G70-V107 CarbonylContact O-C 3.58Å; G70-V107 VanDerWaalsContact O-CA 3.26Å; G70-V107 WeakPolarHBondContact O-CA 3.47Å; I72-V107 HydrophobicContact CD1-CG2 3.84Å; I72-V107 HydrophobicContact CG1-CG2 3.68Å; M98-V107 HydrophobicContact CE-CG2 3.93Å; M98-V107 HydrophobicContact SD-CB 3.99Å; M98-V107 HydrophobicContact SD-CG2 3.81Å; V107-F128 HydrophobicContact CG1-CE1 4Å; V107-F128 HydrophobicContact CG1-CE2 4.49Å; V107-F128 HydrophobicContact CG1-CZ 3.6Å; V107-F128 HydrophobicContact CG2-CZ 4.45Å; V107-F128 WeakPolarHBondContact O-CE1 3.27Å; V107-K148 CarbonylContact O-C 3.57Å; V107-K148 WeakPolarHBondContact O-CA 3.09Å; V107-R149 HydrophobicContact CG1-CB 3.84Å; V107-R149 HydrophobicContact CG1-CG 4.44Å; V107-R149 PolarHBondContact N-O 3.05Å; V107-R149 PolarHBondContact O-N 3.17Å; V107-L151 HydrophobicContact CB-CD1 4.3Å; V107-L151 HydrophobicContact CG1-CD1 4.41Å; V107-L151 HydrophobicContact CG1-CD2 4.15Å; V107-L151 HydrophobicContact CG1-CG 4.39Å
108S98.5Very high97.2Very high13 Ų1345.1 Ų45.19%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-113.5160.5179.162.70000112.6G70 H71 I72 M147G70-S108 PolarHBondContact O-N 2.8Å; G70-S108 PolarHBondContact O-OG 3.23Å; H71-S108 WeakPolarHBondContact CA-O 3.25Å; H71-S108 PolarHBondContact ND1-OG 3.31Å; H71-S108 VanDerWaalsContact ND1-OG 3.14Å; I72-S108 PolarHBondContact N-O 2.63Å; S108-M147 CarbonylContact C-O 3.43Å; S108-M147 WeakPolarHBondContact CA-O 3.15Å
109L98.6Very high97.1Very high1 Ų146.6 Ų46.61%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-161.2168.5171.46284000111I72 M91 V111 Y122 F128 M147I72-L109 HydrophobicContact CB-CB 4.04Å; I72-L109 HydrophobicContact CG1-CD2 4.49Å; M91-L109 HydrophobicContact CE-CD2 4.33Å; L109-V111 HydrophobicContact CD1-CB 4.09Å; L109-V111 HydrophobicContact CD1-CG1 4.39Å; L109-Y122 HydrophobicContact CD1-CD2 3.83Å; L109-Y122 HydrophobicContact CD1-CE2 3.78Å; L109-Y122 HydrophobicContact CD1-CG 4.28Å; L109-Y122 HydrophobicContact CD2-CD1 3.58Å; L109-Y122 HydrophobicContact CD2-CD2 4.19Å; L109-Y122 HydrophobicContact CD2-CE1 3.43Å; L109-Y122 VanDerWaalsContact CD2-CE1 3.43Å; L109-Y122 HydrophobicContact CD2-CE2 4.02Å; L109-Y122 HydrophobicContact CD2-CG 3.98Å; L109-F128 HydrophobicContact CD2-CD1 3.93Å; L109-F128 HydrophobicContact CD2-CE1 3.51Å; L109-F128 HydrophobicContact CD2-CE2 4.33Å; L109-F128 HydrophobicContact CD2-CG 4.5Å; L109-F128 HydrophobicContact CD2-CZ 3.73Å; L109-F128 HydrophobicContact CG-CD1 4.1Å; L109-F128 HydrophobicContact CG-CE1 3.88Å; L109-M147 HydrophobicContact CD1-CB 3.87Å; L109-M147 HydrophobicContact CD1-CG 4.14Å; L109-M147 HydrophobicContact CD1-SD 4.16Å; L109-M147 HydrophobicContact CG-CB 4.22Å; L109-M147 PolarHBondContact N-O 3.25Å; L109-M147 PolarHBondContact O-N 3.24Å
110H98.4Very high96.9Very high27 Ų2751.1 Ų51.113%0.12525%0.25CS..EExtended strand (participates in β ladder)trans-123115.2177.1-71.285.9000111.4H71 E134 Y137 Y138 A144 Y145 E200H71-H110 AromaticContact CE1-ND1 3.53Å; H110-E134 IonicContact CD2-OE1 2.77Å; H110-E134 IonicContact CD2-OE2 3.75Å; H110-E134 PolarHBondContact CD2-OE2 2.89Å; H110-E134 IonicContact CE1-OE1 3.24Å; H110-E134 IonicContact NE2-OE1 2.91Å; H110-E134 PolarHBondContact NE2-OE1 2.94Å; H110-E134 IonicContact NE2-OE2 3.06Å; H110-E134 PolarHBondContact NE2-OE2 3.28Å; H110-Y137 HydrophobicContact CB-CE1 3.84Å; H110-Y137 AromaticContact CD2-CE2 3.71Å; H110-Y137 AromaticContact CD2-CZ 3.72Å; H110-Y137 AromaticContact CG-CZ 3.69Å; H110-Y137 AromaticContact NE2-CE2 3.83Å; H110-Y138 PolarHBondContact O-OH 3.35Å; H110-A144 HydrophobicContact CB-CB 4.29Å; H110-Y145 WeakPolarHBondContact CA-O 3.46Å; H110-E200 WeakPolarHBondContact O-CB 3.19Å; H110-E200 WeakPolarHBondContact O-CG 3.45Å
111V98.1Very high96.7Very high0 Ų047.6 Ų47.60%024%0.235CC..EExtended strand (participates in β ladder)trans-113.9138.2-17967.20000112.5L109 K113 N115 A118 L119 Y122 Y138 Y145 M147 E200L109-V111 HydrophobicContact CD1-CB 4.09Å; L109-V111 HydrophobicContact CD1-CG1 4.39Å; V111-K113 PolarHBondContact O-N 2.86Å; V111-N115 HydrophobicContact CG2-CB 4.28Å; V111-A118 HydrophobicContact CG2-CB 3.68Å; V111-L119 HydrophobicContact CG1-CD2 3.64Å; V111-L119 HydrophobicContact CG1-CG 4.42Å; V111-L119 HydrophobicContact CG2-CG 4.47Å; V111-Y122 HydrophobicContact CB-CD2 4.21Å; V111-Y122 HydrophobicContact CB-CE2 4.18Å; V111-Y122 HydrophobicContact CG2-CD2 4.15Å; V111-Y122 HydrophobicContact CG2-CE2 4.06Å; V111-Y138 VanDerWaalsContact C-OH 3.24Å; V111-Y145 HydrophobicContact CG1-CD2 4.44Å; V111-Y145 PolarHBondContact N-O 3.5Å; V111-Y145 PolarHBondContact O-N 3.02Å; V111-M147 HydrophobicContact CG1-CG 4.02Å; V111-M147 HydrophobicContact CG1-SD 3.51Å; V111-M147 VanDerWaalsContact CG1-SD 3.51Å; V111-E200 WeakPolarHBondContact CA-OE1 3.45Å; V111-E200 WeakPolarHBondContact CB-OE1 3.44Å; V111-E200 WeakPolarHBondContact CG2-OE1 3.27Å
112R98Very high96.7Very high21 Ų2143.9 Ų43.98%0.07922%0.215CC..EExtended strand (participates in β ladder)trans-56.3136.6171.8-75.3-170.3-176.8-101.9-0.2111.5E24 S114 N115 Y138 D140 E142 S199E24-R112 IonicContact OE1-CZ 3.56Å; E24-R112 VanDerWaalsContact OE1-CZ 3.3Å; E24-R112 IonicContact OE1-NE 3.59Å; E24-R112 PolarHBondContact OE1-NE 2.9Å; E24-R112 IonicContact OE1-NH2 2.76Å; E24-R112 PolarHBondContact OE1-NH2 3.3Å; R112-S114 PolarHBondContact O-N 2.94Å; R112-N115 HydrophobicContact CB-CB 3.91Å; R112-N115 PolarHBondContact O-N 3.44Å; R112-N115 VanDerWaalsContact O-N 3.1Å; R112-Y138 HydrophobicContact CB-CE2 4.12Å; R112-Y138 HydrophobicContact CG-CD1 4.1Å; R112-Y138 HydrophobicContact CG-CD2 3.77Å; R112-Y138 HydrophobicContact CG-CE1 3.67Å; R112-Y138 HydrophobicContact CG-CE2 3.31Å; R112-Y138 HydrophobicContact CG-CG 4.17Å; R112-Y138 PolarHBondContact N-OH 3.1Å; R112-D140 IonicContact CZ-OD1 3.28Å; R112-D140 IonicContact CZ-OD2 3.11Å; R112-D140 VanDerWaalsContact NH1-CG 3.28Å; R112-D140 IonicContact NH1-OD1 3.52Å; R112-D140 PolarHBondContact NH1-OD1 3.46Å; R112-D140 IonicContact NH1-OD2 2.72Å; R112-D140 PolarHBondContact NH1-OD2 3.2Å; R112-D140 IonicContact NH2-OD1 3.02Å; R112-D140 IonicContact NH2-OD2 3.88Å; R112-D140 PolarHBondContact NH2-OD2 3.39Å; R112-E142 VanDerWaalsContact CD-OE2 3.31Å; R112-E142 WeakPolarHBondContact CD-OE2 3.32Å; R112-E142 IonicContact CZ-OE2 3.62Å; R112-E142 IonicContact NE-OE2 3.69Å; R112-E142 IonicContact NH1-OE2 3.44Å; R112-E142 PolarHBondContact NH1-OE2 3.13Å; R112-S199 WeakPolarHBondContact CD-OG 3.46Å; R112-S199 PolarHBondContact NE-OG 3.09Å
113K96.8Very high96.6Very high74 Ų7442.9 Ų42.932%0.32222%0.216SC..THydrogen-bonded Turntrans-61.6-32.1176.9-66.4178.979.1174.90112.5V111 N115 L119 I133 E142 D143 Y145V111-K113 PolarHBondContact O-N 2.86Å; K113-N115 VanDerWaalsContact C-N 3.33Å; K113-L119 WeakPolarHBondContact O-CD1 3.4Å; K113-I133 HydrophobicContact CD-CG2 4.36Å; K113-E142 PolarHBondContact N-OE1 3.28Å; K113-D143 HydrophobicContact CD-CB 3.42Å; K113-D143 VanDerWaalsContact CD-CB 3.42Å; K113-D143 HydrophobicContact CG-CB 4.19Å; K113-D143 IonicContact NZ-OD2 3.29Å; K113-D143 PolarHBondContact NZ-OD2 3.38Å; K113-Y145 HydrophobicContact CB-CD2 4.31Å; K113-Y145 HydrophobicContact CB-CE2 3.9Å; K113-Y145 HydrophobicContact CD-CE2 4.43Å; K113-Y145 HydrophobicContact CG-CD1 4.49Å; K113-Y145 HydrophobicContact CG-CD2 3.74Å; K113-Y145 HydrophobicContact CG-CE1 4.29Å; K113-Y145 HydrophobicContact CG-CE2 3.52Å; K113-Y145 HydrophobicContact CG-CG 4.24Å
114S97.1Very high96.5Very high77 Ų7743.5 Ų43.554%0.53822%0.219SC..THydrogen-bonded Turntrans-75.9-17.5178.562.80000114R112 R116 E142R112-S114 PolarHBondContact O-N 2.94Å; S114-R116 PolarHBondContact O-N 3.47Å; S114-E142 WeakPolarHBondContact CB-OE1 3.32Å; S114-E142 PolarHBondContact N-OE1 2.99Å; S114-E142 PolarHBondContact OG-OE1 2.98Å; S114-E142 PolarHBondContact OG-OE2 3.46Å
115N95.8Very high96.3Very high9 Ų945.9 Ų45.95%0.04823%0.233CC..  trans-81.977.4-172.1-175.3-8.1000112.7V111 R112 K113 A117 A118 L119 E197 V198 S199V111-N115 HydrophobicContact CG2-CB 4.28Å; R112-N115 HydrophobicContact CB-CB 3.91Å; R112-N115 PolarHBondContact O-N 3.44Å; R112-N115 VanDerWaalsContact O-N 3.1Å; K113-N115 VanDerWaalsContact C-N 3.33Å; N115-A117 VanDerWaalsContact C-N 3.26Å; N115-A117 PolarHBondContact O-N 3.02Å; N115-A118 HydrophobicContact CB-CB 4.37Å; N115-A118 VanDerWaalsContact ND2-CB 3.26Å; N115-A118 WeakPolarHBondContact ND2-CB 3.26Å; N115-A118 PolarHBondContact O-N 3.19Å; N115-A118 VanDerWaalsContact OD1-CB 3.3Å; N115-A118 WeakPolarHBondContact OD1-CB 3.45Å; N115-A118 PolarHBondContact OD1-N 3Å; N115-L119 WeakPolarHBondContact O-CB 3.49Å; N115-L119 VanDerWaalsContact O-CG 3.32Å; N115-L119 WeakPolarHBondContact O-CG 3.3Å; N115-L119 PolarHBondContact O-N 3.46Å; N115-E197 PolarHBondContact OD1-O 3.01Å; N115-V198 WeakPolarHBondContact ND2-CA 3.25Å; N115-S199 PolarHBondContact ND2-N 2.87Å
116R94.1Very high96.2Very high216 Ų21642.3 Ų42.382%0.81522%0.218SC*.Hα-helixtrans-58.6-33.9-177.9-65.4-177176-174.7-1.2113.9S114 H120S114-R116 PolarHBondContact O-N 3.47Å; R116-H120 WeakPolarHBondContact O-CB 3.35Å; R116-H120 PolarHBondContact O-N 3.08Å
117A90.5Very high96.1Very high54 Ų5447.7 Ų47.745%0.44624%0.242SC..Hα-helixtrans-69.4-45.6-178.400000111.5N115 H120 L121N115-A117 VanDerWaalsContact C-N 3.26Å; N115-A117 PolarHBondContact O-N 3.02Å; A117-H120 PolarHBondContact O-N 3.44Å; A117-L121 PolarHBondContact O-N 2.74Å; A117-L121 VanDerWaalsContact O-N 3.14Å
118A93.8Very high96.1Very high2 Ų248 Ų482%0.01724%0.243CC..Hα-helixtrans-68.6-41.5175.900000111.5V111 N115 H120 L121 Y122 V198V111-A118 HydrophobicContact CG2-CB 3.68Å; N115-A118 HydrophobicContact CB-CB 4.37Å; N115-A118 VanDerWaalsContact ND2-CB 3.26Å; N115-A118 WeakPolarHBondContact ND2-CB 3.26Å; N115-A118 PolarHBondContact O-N 3.19Å; N115-A118 VanDerWaalsContact OD1-CB 3.3Å; N115-A118 WeakPolarHBondContact OD1-CB 3.45Å; N115-A118 PolarHBondContact OD1-N 3Å; A118-H120 VanDerWaalsContact C-N 3.28Å; A118-H120 PolarHBondContact O-N 3.17Å; A118-L121 WeakPolarHBondContact O-CB 3.38Å; A118-L121 PolarHBondContact O-N 2.84Å; A118-Y122 HydrophobicContact CB-CD2 4.04Å; A118-Y122 HydrophobicContact CB-CE2 3.76Å; A118-Y122 WeakPolarHBondContact O-CD2 3.16Å; A118-Y122 PolarHBondContact O-N 3.19Å; A118-V198 HydrophobicContact CB-CG1 4.05Å
119L96.4Very high96.1Very high31 Ų3154.6 Ų54.616%0.16227%0.273CS..Hα-helixtrans-56.5-43.1174.7-74.1169000112.2V111 K113 N115 S123 Y145 M147V111-L119 HydrophobicContact CG1-CD2 3.64Å; V111-L119 HydrophobicContact CG1-CG 4.42Å; V111-L119 HydrophobicContact CG2-CG 4.47Å; K113-L119 WeakPolarHBondContact O-CD1 3.4Å; N115-L119 WeakPolarHBondContact O-CB 3.49Å; N115-L119 VanDerWaalsContact O-CG 3.32Å; N115-L119 WeakPolarHBondContact O-CG 3.3Å; N115-L119 PolarHBondContact O-N 3.46Å; L119-S123 VanDerWaalsContact O-CB 3.26Å; L119-S123 WeakPolarHBondContact O-CB 3.31Å; L119-S123 PolarHBondContact O-N 3.5Å; L119-S123 PolarHBondContact O-OG 2.83Å; L119-Y145 HydrophobicContact CD1-CE2 4.38Å; L119-Y145 HydrophobicContact CD2-CD2 3.81Å; L119-Y145 HydrophobicContact CD2-CE2 4.26Å; L119-M147 HydrophobicContact CD2-SD 4.38Å
120H95.1Very high96.1Very high108 Ų10858.5 Ų58.550%0.529%0.293SS..Iπ-helixtrans-62.8-44.8174.6-175.473.5000112.3R116 A117 A118 N124 T125R116-H120 WeakPolarHBondContact O-CB 3.35Å; R116-H120 PolarHBondContact O-N 3.08Å; A117-H120 PolarHBondContact O-N 3.44Å; A118-H120 VanDerWaalsContact C-N 3.28Å; A118-H120 PolarHBondContact O-N 3.17Å; H120-N124 WeakPolarHBondContact O-CA 3.39Å; H120-N124 VanDerWaalsContact O-CB 3.23Å; H120-N124 WeakPolarHBondContact O-CB 3.44Å; H120-N124 PolarHBondContact O-N 2.98Å; H120-T125 PolarHBondContact O-N 2.86Å
121L94.1Very high96Very high35 Ų3560.3 Ų60.318%0.18331%0.309CS..Iπ-helixtrans-59.4-53.3176.4172.467000111.2L75 A87 A117 A118 T125 L126L75-L121 HydrophobicContact CD2-CD2 4Å; A87-L121 HydrophobicContact CB-CD1 4.29Å; A87-L121 HydrophobicContact CB-CD2 3.74Å; A117-L121 PolarHBondContact O-N 2.74Å; A117-L121 VanDerWaalsContact O-N 3.14Å; A118-L121 WeakPolarHBondContact O-CB 3.38Å; A118-L121 PolarHBondContact O-N 2.84Å; L121-T125 HydrophobicContact CD1-CG2 4.47Å; L121-T125 VanDerWaalsContact O-CB 3.25Å; L121-T125 WeakPolarHBondContact O-CB 3.37Å; L121-T125 PolarHBondContact O-N 2.92Å; L121-L126 HydrophobicContact CD1-CD1 4.03Å; L121-L126 HydrophobicContact CD1-CG 4.25Å; L121-L126 HydrophobicContact CG-CD1 3.96Å; L121-L126 PolarHBondContact O-N 2.94Å
122Y97.8Very high96Very high1 Ų166.1 Ų66.10%0.00434%0.336CS..Iπ-helixtrans-69.2-50.7-173.9-62.6-46000111.5L75 M91 L109 V111 A118 L126 K127 F128 M147 E200L75-Y122 HydrophobicContact CD2-CE1 3.89Å; M91-Y122 HydrophobicContact CE-CE1 4.39Å; L109-Y122 HydrophobicContact CD1-CD2 3.83Å; L109-Y122 HydrophobicContact CD1-CE2 3.78Å; L109-Y122 HydrophobicContact CD1-CG 4.28Å; L109-Y122 HydrophobicContact CD2-CD1 3.58Å; L109-Y122 HydrophobicContact CD2-CD2 4.19Å; L109-Y122 HydrophobicContact CD2-CE1 3.43Å; L109-Y122 VanDerWaalsContact CD2-CE1 3.43Å; L109-Y122 HydrophobicContact CD2-CE2 4.02Å; L109-Y122 HydrophobicContact CD2-CG 3.98Å; V111-Y122 HydrophobicContact CB-CD2 4.21Å; V111-Y122 HydrophobicContact CB-CE2 4.18Å; V111-Y122 HydrophobicContact CG2-CD2 4.15Å; V111-Y122 HydrophobicContact CG2-CE2 4.06Å; A118-Y122 HydrophobicContact CB-CD2 4.04Å; A118-Y122 HydrophobicContact CB-CE2 3.76Å; A118-Y122 WeakPolarHBondContact O-CD2 3.16Å; A118-Y122 PolarHBondContact O-N 3.19Å; Y122-L126 HydrophobicContact CD1-CD1 4Å; Y122-L126 HydrophobicContact CE1-CD1 4.45Å; Y122-L126 CarbonylContact O-C 3.38Å; Y122-L126 PolarHBondContact O-N 3.36Å; Y122-K127 PolarHBondContact O-N 3.44Å; Y122-F128 HydrophobicContact CD1-CD2 4.43Å; Y122-F128 WeakPolarHBondContact O-CB 3.17Å; Y122-F128 PolarHBondContact O-N 2.92Å; Y122-M147 HydrophobicContact CD2-SD 4.36Å; Y122-E200 VanDerWaalsContact CE2-OE1 3.25Å; Y122-E200 WeakPolarHBondContact CE2-OE1 3.29Å
123S96.2Very high96Very high41 Ų4168.9 Ų68.929%0.28735%0.351SS..Iπ-helixtrans-74.4-52.2-178-61.60000113.1L119 K127 M147L119-S123 VanDerWaalsContact O-CB 3.26Å; L119-S123 WeakPolarHBondContact O-CB 3.31Å; L119-S123 PolarHBondContact O-N 3.5Å; L119-S123 PolarHBondContact O-OG 2.83Å; S123-K127 WeakPolarHBondContact O-CA 3.08Å; S123-K127 PolarHBondContact O-N 3.2Å; S123-M147 WeakPolarHBondContact OG-CE 2.88Å
124N94.5Very high96Very high93 Ų9367.8 Ų67.850%0.49735%0.347SS..Iπ-helixtrans-82.5-42.9-169.3-62.361.4000112.2H120 K127H120-N124 WeakPolarHBondContact O-CA 3.39Å; H120-N124 VanDerWaalsContact O-CB 3.23Å; H120-N124 WeakPolarHBondContact O-CB 3.44Å; H120-N124 PolarHBondContact O-N 2.98Å; N124-K127 WeakPolarHBondContact O-CE 3.41Å; N124-K127 PolarHBondContact O-NZ 2.8Å
125T93.7Very high96Very high53 Ų5368.9 Ų68.933%0.32535%0.353SS..Iπ-helixtrans-87.1-51-176.2-52.30000111.4Q88 H120 L121Q88-T125 HydrophobicContact CB-CG2 4.35Å; Q88-T125 HydrophobicContact CG-CG2 4.3Å; H120-T125 PolarHBondContact O-N 2.86Å; L121-T125 HydrophobicContact CD1-CG2 4.47Å; L121-T125 VanDerWaalsContact O-CB 3.25Å; L121-T125 WeakPolarHBondContact O-CB 3.37Å; L121-T125 PolarHBondContact O-N 2.92Å
126L95.6Very high96.1Very high5 Ų576.2 Ų76.23%0.02638%0.384CS..SBendtrans-93.3-5.7-171.8-64.5175.5000114.1Q88 M91 L121 Y122 F128 R149Q88-L126 HydrophobicContact CB-CD2 4.13Å; Q88-L126 HydrophobicContact CG-CD2 3.81Å; M91-L126 HydrophobicContact CB-CD1 3.93Å; M91-L126 HydrophobicContact CB-CD2 4.27Å; M91-L126 HydrophobicContact CE-CD1 4.19Å; M91-L126 HydrophobicContact CG-CD1 3.76Å; L121-L126 HydrophobicContact CD1-CD1 4.03Å; L121-L126 HydrophobicContact CD1-CG 4.25Å; L121-L126 HydrophobicContact CG-CD1 3.96Å; L121-L126 PolarHBondContact O-N 2.94Å; Y122-L126 HydrophobicContact CD1-CD1 4Å; Y122-L126 HydrophobicContact CE1-CD1 4.45Å; Y122-L126 CarbonylContact O-C 3.38Å; Y122-L126 PolarHBondContact O-N 3.36Å; L126-F128 VanDerWaalsContact C-N 3.28Å; L126-F128 HydrophobicContact CB-CD2 3.7Å; L126-F128 HydrophobicContact CB-CE2 3.92Å; L126-F128 HydrophobicContact CD1-CE2 4.41Å; L126-F128 PolarHBondContact O-N 2.91Å; L126-R149 WeakPolarHBondContact O-CD 3.5Å
127K97.4Very high96.2Very high141 Ų14168.9 Ų68.961%0.61336%0.357SS*.  trans61.931.1176.1-49.4-54.7-174.6-170.80114.2Y122 S123 N124Y122-K127 PolarHBondContact O-N 3.44Å; S123-K127 WeakPolarHBondContact O-CA 3.08Å; S123-K127 PolarHBondContact O-N 3.2Å; N124-K127 WeakPolarHBondContact O-CE 3.41Å; N124-K127 PolarHBondContact O-NZ 2.8Å
128F98.4Very high96.4Very high5 Ų566.5 Ų66.52%0.02234%0.336CS..  trans-67.8144.2164.7-79-106.2000110.5M91 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 4Å; V107-F128 HydrophobicContact CG1-CE2 4.49Å; V107-F128 HydrophobicContact CG1-CZ 3.6Å; V107-F128 HydrophobicContact CG2-CZ 4.45Å; V107-F128 WeakPolarHBondContact O-CE1 3.27Å; L109-F128 HydrophobicContact CD2-CD1 3.93Å; L109-F128 HydrophobicContact CD2-CE1 3.51Å; L109-F128 HydrophobicContact CD2-CE2 4.33Å; L109-F128 HydrophobicContact CD2-CG 4.5Å; L109-F128 HydrophobicContact CD2-CZ 3.73Å; L109-F128 HydrophobicContact CG-CD1 4.1Å; L109-F128 HydrophobicContact CG-CE1 3.88Å; Y122-F128 HydrophobicContact CD1-CD2 4.43Å; Y122-F128 WeakPolarHBondContact O-CB 3.17Å; Y122-F128 PolarHBondContact O-N 2.92Å; L126-F128 VanDerWaalsContact C-N 3.28Å; L126-F128 HydrophobicContact CB-CD2 3.7Å; L126-F128 HydrophobicContact CB-CE2 3.92Å; L126-F128 HydrophobicContact CD1-CE2 4.41Å; L126-F128 PolarHBondContact O-N 2.91Å; F128-M147 HydrophobicContact CB-CB 4.16Å; F128-M147 HydrophobicContact CB-CE 3.67Å; F128-M147 HydrophobicContact CB-SD 4.38Å; F128-M147 HydrophobicContact CD1-CB 3.94Å; F128-M147 HydrophobicContact CG-CB 4.5Å; F128-K148 WeakPolarHBondContact CA-O 3.47Å; F128-R149 HydrophobicContact CD1-CB 3.77Å; F128-R149 HydrophobicContact CD2-CB 3.74Å; F128-R149 HydrophobicContact CD2-CG 4.44Å; F128-R149 HydrophobicContact CE1-CB 3.75Å; F128-R149 HydrophobicContact CE2-CB 3.72Å; F128-R149 HydrophobicContact CE2-CG 4.37Å; F128-R149 HydrophobicContact CG-CB 3.77Å; F128-R149 HydrophobicContact CZ-CB 3.73Å
129Q98.3Very high96.4Very high153 Ų15371.9 Ų71.972%0.71538%0.381SS*.EExtended strand (participates in β ladder)trans-113.8141.8174.9-60.7-177.1-2.800108.9S131 M147 K148Q129-S131 PolarHBondContact O-N 3.24Å; Q129-M147 CarbonylContact O-C 3.51Å; Q129-M147 VanDerWaalsContact O-CA 3.24Å; Q129-M147 WeakPolarHBondContact O-CA 3.44Å; Q129-K148 PolarHBondContact N-O 3.17Å; Q129-K148 PolarHBondContact O-N 2.81Å
130I98.3Very high96.3Very high83 Ų8375.6 Ų75.643%0.42640%0.401SS..EExtended strand (participates in β ladder)trans-70.1122.8173.2-61.3168.8000107.4Y145 M147I130-Y145 HydrophobicContact CD1-CD1 3.81Å; I130-Y145 HydrophobicContact CD1-CD2 4.31Å; I130-Y145 HydrophobicContact CD1-CE1 3.88Å; I130-Y145 HydrophobicContact CD1-CE2 4.35Å; I130-Y145 HydrophobicContact CD1-CG 4.04Å; I130-Y145 HydrophobicContact CG1-CD1 4.17Å; I130-Y145 HydrophobicContact CG1-CG 4.24Å; I130-Y145 HydrophobicContact CG2-CD1 3.56Å; I130-Y145 HydrophobicContact CG2-CE1 4.21Å; I130-Y145 HydrophobicContact CG2-CG 4.26Å; I130-M147 HydrophobicContact CG1-CE 4.01Å; I130-M147 HydrophobicContact CG1-CG 4.31Å
131S97Very high96.4Very high65 Ų6572.1 Ų72.146%0.45539%0.394SS..EExtended strand (participates in β ladder)trans-93-43173.856.40000111.7Q129 A146Q129-S131 PolarHBondContact O-N 3.24Å; S131-A146 PolarHBondContact N-O 3.24Å; S131-A146 PolarHBondContact OG-O 3.09Å; S131-A146 VanDerWaalsContact OG-O 3.08Å
132E96.9Very high96.5Very high122 Ų12272.6 Ų72.657%0.5740%0.396SS*.EExtended strand (participates in β ladder)trans-151160.4-173.6-176.1164.7-16800111.3A146E132-A146 HydrophobicContact CB-CB 4.22Å; E132-A146 PolarHBondContact N-O 3.15Å; E132-A146 PolarHBondContact O-N 3.14Å
133I98.1Very high96.5Very high78 Ų7874.8 Ų74.840%0.441%0.408SS..EExtended strand (participates in β ladder)trans-109.1120.3167.8-58.8175.9000107.5K113 P135 D143 A144 Y145K113-I133 HydrophobicContact CD-CG2 4.36Å; I133-P135 WeakPolarHBondContact O-CD 3.38Å; I133-D143 HydrophobicContact CG2-CB 4.17Å; I133-A144 CarbonylContact C-O 3.54Å; I133-A144 WeakPolarHBondContact CA-O 3.34Å; I133-Y145 HydrophobicContact CD1-CD1 4.42Å; I133-Y145 HydrophobicContact CD1-CE1 3.82Å; I133-Y145 HydrophobicContact CG1-CD1 3.73Å; I133-Y145 HydrophobicContact CG1-CE1 3.64Å
134E97.3Very high96.6Very high51 Ų5172.9 Ų72.924%0.23839%0.394CS..EExtended strand (participates in β ladder)trans-97.8110.3177.7-67.7-176.5-171.200109.6H110 Y137 D143 A144H110-E134 IonicContact CD2-OE1 2.77Å; H110-E134 IonicContact CD2-OE2 3.75Å; H110-E134 PolarHBondContact CD2-OE2 2.89Å; H110-E134 IonicContact CE1-OE1 3.24Å; H110-E134 IonicContact NE2-OE1 2.91Å; H110-E134 PolarHBondContact NE2-OE1 2.94Å; H110-E134 IonicContact NE2-OE2 3.06Å; H110-E134 PolarHBondContact NE2-OE2 3.28Å; E134-Y137 HydrophobicContact CB-CD2 4.21Å; E134-Y137 WeakPolarHBondContact OE2-CD2 3.33Å; E134-Y137 WeakPolarHBondContact OE2-CE2 3.32Å; E134-D143 VanDerWaalsContact O-CA 3.29Å; E134-D143 WeakPolarHBondContact O-CA 3.36Å; E134-A144 HydrophobicContact CB-CB 4.42Å; E134-A144 PolarHBondContact N-O 2.79Å; E134-A144 PolarHBondContact O-N 3.09Å
135P97.6Very high96.8Very high101 Ų10170.9 Ų70.966%0.65638%0.38SS*.THydrogen-bonded Turntrans-71.4135.1-17428.5-33.8000111.2I133 Y137 D143I133-P135 WeakPolarHBondContact O-CD 3.38Å; P135-Y137 PolarHBondContact O-N 3.49Å; P135-D143 VanDerWaalsContact CA-OD1 3.31Å; P135-D143 WeakPolarHBondContact CA-OD1 3.47Å
136K96.7Very high97.1Very high163 Ų16368.8 Ų68.871%0.70937%0.368SS*.THydrogen-bonded Turntrans51.538.7178.6-53.6178.5-178.2178.50113.9E142 D143K136-E142 CarbonylContact C-O 3.58Å; K136-D143 PolarHBondContact N-OD1 2.82Å
137Y96.8Very high97.2Very high61 Ų6168.6 Ų68.624%0.23937%0.367CS..  trans-64.3-40.4179.4-179.4-98.6000112.2H110 E134 P135 E142 A144 A201H110-Y137 HydrophobicContact CB-CE1 3.84Å; H110-Y137 AromaticContact CD2-CE2 3.71Å; H110-Y137 AromaticContact CD2-CZ 3.72Å; H110-Y137 AromaticContact CG-CZ 3.69Å; H110-Y137 AromaticContact NE2-CE2 3.83Å; E134-Y137 HydrophobicContact CB-CD2 4.21Å; E134-Y137 WeakPolarHBondContact OE2-CD2 3.33Å; E134-Y137 WeakPolarHBondContact OE2-CE2 3.32Å; P135-Y137 PolarHBondContact O-N 3.49Å; Y137-E142 PolarHBondContact N-O 2.97Å; Y137-E142 VanDerWaalsContact N-O 3.08Å; Y137-A144 HydrophobicContact CD1-CB 3.62Å; Y137-A144 HydrophobicContact CD2-CB 4.47Å; Y137-A144 HydrophobicContact CE1-CB 4.39Å; Y137-A144 HydrophobicContact CG-CB 3.64Å; Y137-A201 HydrophobicContact CD1-CB 3.98Å; Y137-A201 HydrophobicContact CE1-CB 3.47Å; Y137-A201 VanDerWaalsContact CE1-CB 3.47Å
138Y95.6Very high97.2Very high5 Ų565.8 Ų65.82%0.0236%0.355CS..SBendtrans-84.1153.9-179-64.7-86.1000111.8H110 V111 R112 D140 G141 E142 A144 A201H110-Y138 PolarHBondContact O-OH 3.35Å; V111-Y138 VanDerWaalsContact C-OH 3.24Å; R112-Y138 HydrophobicContact CB-CE2 4.12Å; R112-Y138 HydrophobicContact CG-CD1 4.1Å; R112-Y138 HydrophobicContact CG-CD2 3.77Å; R112-Y138 HydrophobicContact CG-CE1 3.67Å; R112-Y138 HydrophobicContact CG-CE2 3.31Å; R112-Y138 HydrophobicContact CG-CG 4.17Å; R112-Y138 PolarHBondContact N-OH 3.1Å; Y138-D140 WeakPolarHBondContact CB-OD1 3.35Å; Y138-D140 PolarHBondContact O-N 3.04Å; Y138-D140 VanDerWaalsContact O-N 3.17Å; Y138-G141 WeakPolarHBondContact O-CA 3.47Å; Y138-G141 PolarHBondContact O-N 3.3Å; Y138-E142 HydrophobicContact CD2-CB 4.17Å; Y138-E142 WeakPolarHBondContact CD2-O 3.28Å; Y138-E142 PolarHBondContact N-O 2.84Å; Y138-A144 HydrophobicContact CD2-CB 4.32Å; Y138-A144 HydrophobicContact CE2-CB 3.56Å; Y138-A201 HydrophobicContact CD1-CB 3.47Å; Y138-A201 VanDerWaalsContact CD1-CB 3.47Å; Y138-A201 HydrophobicContact CE1-CB 3.5Å; Y138-A201 VanDerWaalsContact CE1-CB 3.5Å; Y138-A201 HydrophobicContact CG-CB 4.45Å
139A93Very high97.2Very high115 Ų11566.6 Ų66.695%0.9536%0.358SS*.THydrogen-bonded Turntrans-62.2-25-17600000114.3G141A139-G141 PolarHBondContact O-N 3.38Å
140D94.5Very high97.2Very high108 Ų10864.7 Ų64.758%0.57835%0.352SS*.THydrogen-bonded Turntrans-82.61.6173.258.9-1.6000113.3R112 Y138 E142R112-D140 IonicContact CZ-OD1 3.28Å; R112-D140 IonicContact CZ-OD2 3.11Å; R112-D140 VanDerWaalsContact NH1-CG 3.28Å; R112-D140 IonicContact NH1-OD1 3.52Å; R112-D140 PolarHBondContact NH1-OD1 3.46Å; R112-D140 IonicContact NH1-OD2 2.72Å; R112-D140 PolarHBondContact NH1-OD2 3.2Å; R112-D140 IonicContact NH2-OD1 3.02Å; R112-D140 IonicContact NH2-OD2 3.88Å; R112-D140 PolarHBondContact NH2-OD2 3.39Å; Y138-D140 WeakPolarHBondContact CB-OD1 3.35Å; Y138-D140 PolarHBondContact O-N 3.04Å; Y138-D140 VanDerWaalsContact O-N 3.17Å; D140-E142 PolarHBondContact OD1-N 3.35Å
141G96.2Very high97.2Very high36 Ų3660.8 Ų60.837%0.37133%0.332SS..SBendtrans84.57.7179.800000114.2Y138 A139Y138-G141 WeakPolarHBondContact O-CA 3.47Å; Y138-G141 PolarHBondContact O-N 3.3Å; A139-G141 PolarHBondContact O-N 3.38Å
142E97.4Very high97.2Very high44 Ų4459.9 Ų59.921%0.20633%0.329CS..  trans-68.2142.4172.6-163.1179.4165.800110.9R112 K113 S114 K136 Y137 Y138 D140R112-E142 VanDerWaalsContact CD-OE2 3.31Å; R112-E142 WeakPolarHBondContact CD-OE2 3.32Å; R112-E142 IonicContact CZ-OE2 3.62Å; R112-E142 IonicContact NE-OE2 3.69Å; R112-E142 IonicContact NH1-OE2 3.44Å; R112-E142 PolarHBondContact NH1-OE2 3.13Å; K113-E142 PolarHBondContact N-OE1 3.28Å; S114-E142 WeakPolarHBondContact CB-OE1 3.32Å; S114-E142 PolarHBondContact N-OE1 2.99Å; S114-E142 PolarHBondContact OG-OE1 2.98Å; S114-E142 PolarHBondContact OG-OE2 3.46Å; K136-E142 CarbonylContact C-O 3.58Å; Y137-E142 PolarHBondContact N-O 2.97Å; Y137-E142 VanDerWaalsContact N-O 3.08Å; Y138-E142 HydrophobicContact CD2-CB 4.17Å; Y138-E142 WeakPolarHBondContact CD2-O 3.28Å; Y138-E142 PolarHBondContact N-O 2.84Å; D140-E142 PolarHBondContact OD1-N 3.35Å
143D98.1Very high97.1Very high48 Ų4860.2 Ų60.226%0.25733%0.33SS..  trans-73.4151.5171.5-59.4-16.9000111.2K113 I133 E134 P135 K136K113-D143 HydrophobicContact CD-CB 3.42Å; K113-D143 VanDerWaalsContact CD-CB 3.42Å; K113-D143 HydrophobicContact CG-CB 4.19Å; K113-D143 IonicContact NZ-OD2 3.29Å; K113-D143 PolarHBondContact NZ-OD2 3.38Å; I133-D143 HydrophobicContact CG2-CB 4.17Å; E134-D143 VanDerWaalsContact O-CA 3.29Å; E134-D143 WeakPolarHBondContact O-CA 3.36Å; P135-D143 VanDerWaalsContact CA-OD1 3.31Å; P135-D143 WeakPolarHBondContact CA-OD1 3.47Å; K136-D143 PolarHBondContact N-OD1 2.82Å
144A98.2Very high97Very high0 Ų058.6 Ų58.60%032%0.322CS..EExtended strand (participates in β ladder)trans-105.6149.9169.100000111.9H110 I133 E134 Y137 Y138H110-A144 HydrophobicContact CB-CB 4.29Å; I133-A144 CarbonylContact C-O 3.54Å; I133-A144 WeakPolarHBondContact CA-O 3.34Å; E134-A144 HydrophobicContact CB-CB 4.42Å; E134-A144 PolarHBondContact N-O 2.79Å; E134-A144 PolarHBondContact O-N 3.09Å; Y137-A144 HydrophobicContact CD1-CB 3.62Å; Y137-A144 HydrophobicContact CD2-CB 4.47Å; Y137-A144 HydrophobicContact CE1-CB 4.39Å; Y137-A144 HydrophobicContact CG-CB 3.64Å; Y138-A144 HydrophobicContact CD2-CB 4.32Å; Y138-A144 HydrophobicContact CE2-CB 3.56Å
145Y98.6Very high97Very high51 Ų5156.5 Ų56.520%0.231%0.313CS..EExtended strand (participates in β ladder)trans-89118.6154.9-70.5-59.8000108.6H110 V111 K113 L119 I130 I133H110-Y145 WeakPolarHBondContact CA-O 3.46Å; V111-Y145 HydrophobicContact CG1-CD2 4.44Å; V111-Y145 PolarHBondContact N-O 3.5Å; V111-Y145 PolarHBondContact O-N 3.02Å; K113-Y145 HydrophobicContact CB-CD2 4.31Å; K113-Y145 HydrophobicContact CB-CE2 3.9Å; K113-Y145 HydrophobicContact CD-CE2 4.43Å; K113-Y145 HydrophobicContact CG-CD1 4.49Å; K113-Y145 HydrophobicContact CG-CD2 3.74Å; K113-Y145 HydrophobicContact CG-CE1 4.29Å; K113-Y145 HydrophobicContact CG-CE2 3.52Å; K113-Y145 HydrophobicContact CG-CG 4.24Å; L119-Y145 HydrophobicContact CD1-CE2 4.38Å; L119-Y145 HydrophobicContact CD2-CD2 3.81Å; L119-Y145 HydrophobicContact CD2-CE2 4.26Å; I130-Y145 HydrophobicContact CD1-CD1 3.81Å; I130-Y145 HydrophobicContact CD1-CD2 4.31Å; I130-Y145 HydrophobicContact CD1-CE1 3.88Å; I130-Y145 HydrophobicContact CD1-CE2 4.35Å; I130-Y145 HydrophobicContact CD1-CG 4.04Å; I130-Y145 HydrophobicContact CG1-CD1 4.17Å; I130-Y145 HydrophobicContact CG1-CG 4.24Å; I130-Y145 HydrophobicContact CG2-CD1 3.56Å; I130-Y145 HydrophobicContact CG2-CE1 4.21Å; I130-Y145 HydrophobicContact CG2-CG 4.26Å; I133-Y145 HydrophobicContact CD1-CD1 4.42Å; I133-Y145 HydrophobicContact CD1-CE1 3.82Å; I133-Y145 HydrophobicContact CG1-CD1 3.73Å; I133-Y145 HydrophobicContact CG1-CE1 3.64Å
146A98.3Very high96.9Very high9 Ų955.8 Ų55.87%0.07430%0.303CS..EExtended strand (participates in β ladder)trans-75123.9161.300000107.7S131 E132S131-A146 PolarHBondContact N-O 3.24Å; S131-A146 PolarHBondContact OG-O 3.09Å; S131-A146 VanDerWaalsContact OG-O 3.08Å; E132-A146 HydrophobicContact CB-CB 4.22Å; E132-A146 PolarHBondContact N-O 3.15Å; E132-A146 PolarHBondContact O-N 3.14Å
147M98.6Very high96.8Very high1 Ų151.9 Ų51.91%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-120.8144.8-177.8-59.5-168.680.300111S108 L109 V111 L119 Y122 S123 F128 Q129 I130S108-M147 CarbonylContact C-O 3.43Å; S108-M147 WeakPolarHBondContact CA-O 3.15Å; L109-M147 HydrophobicContact CD1-CB 3.87Å; L109-M147 HydrophobicContact CD1-CG 4.14Å; L109-M147 HydrophobicContact CD1-SD 4.16Å; L109-M147 HydrophobicContact CG-CB 4.22Å; L109-M147 PolarHBondContact N-O 3.25Å; L109-M147 PolarHBondContact O-N 3.24Å; V111-M147 HydrophobicContact CG1-CG 4.02Å; V111-M147 HydrophobicContact CG1-SD 3.51Å; V111-M147 VanDerWaalsContact CG1-SD 3.51Å; L119-M147 HydrophobicContact CD2-SD 4.38Å; Y122-M147 HydrophobicContact CD2-SD 4.36Å; S123-M147 WeakPolarHBondContact OG-CE 2.88Å; F128-M147 HydrophobicContact CB-CB 4.16Å; F128-M147 HydrophobicContact CB-CE 3.67Å; F128-M147 HydrophobicContact CB-SD 4.38Å; F128-M147 HydrophobicContact CD1-CB 3.94Å; F128-M147 HydrophobicContact CG-CB 4.5Å; Q129-M147 CarbonylContact O-C 3.51Å; Q129-M147 VanDerWaalsContact O-CA 3.24Å; Q129-M147 WeakPolarHBondContact O-CA 3.44Å; I130-M147 HydrophobicContact CG1-CE 4.01Å; I130-M147 HydrophobicContact CG1-CG 4.31Å
148K98.4Very high96.5Very high83 Ų8351.1 Ų51.136%0.36129%0.288SS..EExtended strand (participates in β ladder)trans-128.5142.2177-61.8-172.2-179.7-163.80111.3Y106 V107 F128 Q129Y106-K148 HydrophobicContact CD2-CB 4.27Å; Y106-K148 HydrophobicContact CD2-CD 3.93Å; Y106-K148 HydrophobicContact CD2-CG 4.11Å; Y106-K148 HydrophobicContact CE2-CD 3.61Å; Y106-K148 HydrophobicContact CE2-CG 4.09Å; Y106-K148 PolarHBondContact OH-NZ 3.11Å; V107-K148 CarbonylContact O-C 3.57Å; V107-K148 WeakPolarHBondContact O-CA 3.09Å; F128-K148 WeakPolarHBondContact CA-O 3.47Å; Q129-K148 PolarHBondContact N-O 3.17Å; Q129-K148 PolarHBondContact O-N 2.81Å
149R98.5Very high96.2Very high21 Ų2157.8 Ų57.88%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-121.3119.4168174.4174.185163.91.6109.4D92 S95 Y106 V107 L126 F128D92-R149 IonicContact OD1-NH1 3.77Å; D92-R149 PolarHBondContact OD1-NH1 3.23Å; D92-R149 IonicContact OD1-NH2 2.82Å; S95-R149 PolarHBondContact OG-NH2 2.9Å; Y106-R149 CarbonylContact C-O 3.57Å; Y106-R149 WeakPolarHBondContact CA-O 3.39Å; Y106-R149 VanDerWaalsContact CB-O 3.25Å; Y106-R149 WeakPolarHBondContact CB-O 3.35Å; V107-R149 HydrophobicContact CG1-CB 3.84Å; V107-R149 HydrophobicContact CG1-CG 4.44Å; V107-R149 PolarHBondContact N-O 3.05Å; V107-R149 PolarHBondContact O-N 3.17Å; L126-R149 WeakPolarHBondContact O-CD 3.5Å; F128-R149 HydrophobicContact CD1-CB 3.77Å; F128-R149 HydrophobicContact CD2-CB 3.74Å; F128-R149 HydrophobicContact CD2-CG 4.44Å; F128-R149 HydrophobicContact CE1-CB 3.75Å; F128-R149 HydrophobicContact CE2-CB 3.72Å; F128-R149 HydrophobicContact CE2-CG 4.37Å; F128-R149 HydrophobicContact CG-CB 3.77Å; F128-R149 HydrophobicContact CZ-CB 3.73Å
150D98.1Very high96Very high113 Ų11358.5 Ų58.560%0.60429%0.294SS*.EExtended strand (participates in β ladder)trans-64134.8172.3-175.1-81.4000110.8A152D150-A152 WeakPolarHBondContact OD1-CB 3.34Å; D150-A152 PolarHBondContact OD1-N 3.23Å
151L98.1Very high94.1Very high2 Ų259.9 Ų59.91%0.0131%0.309CS..  trans-107.52.7-178.3-65.9179.3000113.1I99 A104 K105 V107 H153 M154 A155I99-L151 HydrophobicContact CD1-CB 3.99Å; I99-L151 HydrophobicContact CD1-CD1 4.39Å; I99-L151 HydrophobicContact CD1-CD2 4.45Å; 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 3.37Å; K105-L151 PolarHBondContact O-N 3.12Å; V107-L151 HydrophobicContact CB-CD1 4.3Å; V107-L151 HydrophobicContact CG1-CD1 4.41Å; V107-L151 HydrophobicContact CG1-CD2 4.15Å; V107-L151 HydrophobicContact CG1-CG 4.39Å; L151-H153 PolarHBondContact O-N 2.98Å; L151-M154 HydrophobicContact CD2-SD 4.46Å; L151-M154 PolarHBondContact O-N 2.84Å; L151-A155 WeakPolarHBondContact O-CB 3.05Å; L151-A155 PolarHBondContact O-N 3.37Å
152A96Very high92.2Very high46 Ų4662.1 Ų62.138%0.3833%0.332SS..Hα-helixtrans-61-45.7-175.500000111.8D150 M154 A155 D156D150-A152 WeakPolarHBondContact OD1-CB 3.34Å; D150-A152 PolarHBondContact OD1-N 3.23Å; A152-M154 PolarHBondContact O-N 2.82Å; A152-A155 WeakPolarHBondContact O-CB 3.26Å; A152-A155 PolarHBondContact O-N 2.92Å; A152-D156 PolarHBondContact O-N 2.98Å
153H95.3Very high90Very high128 Ų12866 Ų6659%0.59335%0.352SS*.Hα-helixtrans-60.8-45.3178.3-175.1-88.5000112.2L151 A155 D156 E157L151-H153 PolarHBondContact O-N 2.98Å; H153-A155 VanDerWaalsContact C-N 3.33Å; H153-A155 PolarHBondContact O-N 3.42Å; H153-D156 PolarHBondContact O-N 3.16Å; H153-E157 IonicContact CE1-OE1 3.89Å; H153-E157 PolarHBondContact CE1-OE1 3.24Å; H153-E157 IonicContact ND1-OE1 2.92Å; H153-E157 IonicContact NE2-OE1 3.98Å; H153-E157 PolarHBondContact O-N 3.02Å; H153-E157 VanDerWaalsContact O-N 3.08Å
154M96.4Very high87.4Confident45 Ų4573.7 Ų73.722%0.22238%0.383CS..Hα-helixtrans-62.8-41.8176.8-176.9-179.1-73.800110.9I99 L151 A152 D156 E157 L158I99-M154 HydrophobicContact CD1-CB 3.84Å; I99-M154 HydrophobicContact CD1-CG 3.59Å; I99-M154 HydrophobicContact CD1-SD 3.59Å; I99-M154 VanDerWaalsContact CD1-SD 3.59Å; L151-M154 HydrophobicContact CD2-SD 4.46Å; L151-M154 PolarHBondContact O-N 2.84Å; A152-M154 PolarHBondContact O-N 2.82Å; M154-D156 VanDerWaalsContact C-N 3.32Å; M154-D156 PolarHBondContact O-N 3.34Å; M154-E157 PolarHBondContact O-N 3.14Å; M154-L158 HydrophobicContact CG-CD1 4.26Å; M154-L158 VanDerWaalsContact O-CG 3.31Å; M154-L158 WeakPolarHBondContact O-CG 3.26Å; M154-L158 PolarHBondContact O-N 3.4Å; M154-L158 VanDerWaalsContact O-N 3.08Å
155A96.3Very high84.7Confident6 Ų677.3 Ų77.35%0.0541%0.413CS..Hα-helixtrans-62.6-38.9177.300000112.4I99 L151 A152 H153 L158 R159I99-A155 HydrophobicContact CD1-CB 4.34Å; I99-A155 HydrophobicContact CG2-CB 3.69Å; L151-A155 WeakPolarHBondContact O-CB 3.05Å; L151-A155 PolarHBondContact O-N 3.37Å; A152-A155 WeakPolarHBondContact O-CB 3.26Å; A152-A155 PolarHBondContact O-N 2.92Å; H153-A155 VanDerWaalsContact C-N 3.33Å; H153-A155 PolarHBondContact O-N 3.42Å; A155-L158 PolarHBondContact O-N 2.95Å; A155-R159 WeakPolarHBondContact O-CG 3.17Å; A155-R159 PolarHBondContact O-N 3.41Å
156D95.9Very high82Confident86 Ų8683.8 Ų83.846%0.4645%0.45SS..Hα-helixtrans-68.4-37.3177.2-71.5-15.7000112.3A152 H153 M154 R159 K160A152-D156 PolarHBondContact O-N 2.98Å; H153-D156 PolarHBondContact O-N 3.16Å; M154-D156 VanDerWaalsContact C-N 3.32Å; M154-D156 PolarHBondContact O-N 3.34Å; D156-R159 PolarHBondContact O-N 2.92Å; D156-R159 IonicContact OD1-NH1 2.63Å; D156-R159 PolarHBondContact OD1-NH1 3.46Å; D156-K160 PolarHBondContact O-N 3.3Å
157E94.4Very high79.4Confident81 Ų8186.7 Ų86.738%0.37948%0.481SS..Hα-helixtrans-64-40173.3-71.5-171.9155.200112.7H153 M154 R159 K160H153-E157 IonicContact CE1-OE1 3.89Å; H153-E157 PolarHBondContact CE1-OE1 3.24Å; H153-E157 IonicContact ND1-OE1 2.92Å; H153-E157 IonicContact NE2-OE1 3.98Å; H153-E157 PolarHBondContact O-N 3.02Å; H153-E157 VanDerWaalsContact O-N 3.08Å; M154-E157 PolarHBondContact O-N 3.14Å; E157-R159 VanDerWaalsContact C-N 3.3Å; E157-R159 PolarHBondContact O-N 2.89Å; E157-K160 PolarHBondContact O-N 3.27Å
158L91.4Very high76.4Confident46 Ų4696.2 Ų96.224%0.24153%0.525CS..Hα-helixtrans-67.7-27.9177.9-67.5170.3000113R96 I99 E100 M154 A155R96-L158 HydrophobicContact CG-CD1 4.01Å; R96-L158 HydrophobicContact CG-CD2 4.3Å; I99-L158 HydrophobicContact CB-CD1 4.41Å; I99-L158 HydrophobicContact CD1-CD1 4.13Å; I99-L158 HydrophobicContact CG2-CD1 4.18Å; E100-L158 HydrophobicContact CG-CD1 4.4Å; M154-L158 HydrophobicContact CG-CD1 4.26Å; M154-L158 VanDerWaalsContact O-CG 3.31Å; M154-L158 WeakPolarHBondContact O-CG 3.26Å; M154-L158 PolarHBondContact O-N 3.4Å; M154-L158 VanDerWaalsContact O-N 3.08Å; A155-L158 PolarHBondContact O-N 2.95Å
159R89.3Confident73.2Confident144 Ų144101.5 Ų101.554%0.54355%0.551SS.*Hα-helixtrans-78.5-18.4178.4-73.1173.9-172.1129.53.8113.9A155 D156 E157 P161A155-R159 WeakPolarHBondContact O-CG 3.17Å; A155-R159 PolarHBondContact O-N 3.41Å; D156-R159 PolarHBondContact O-N 2.92Å; D156-R159 IonicContact OD1-NH1 2.63Å; D156-R159 PolarHBondContact OD1-NH1 3.46Å; E157-R159 VanDerWaalsContact C-N 3.3Å; E157-R159 PolarHBondContact O-N 2.89Å; R159-P161 WeakPolarHBondContact O-CD 3.27Å
160K87.7Confident70Confident131 Ų131105 Ų10557%0.5759%0.585SS**SBendtrans-63.9122.7-178.3-73.1171.3-172.7169.30110D156 E157 G162D156-K160 PolarHBondContact O-N 3.3Å; E157-K160 PolarHBondContact O-N 3.27Å; K160-G162 PolarHBondContact O-N 2.93Å; K160-G162 VanDerWaalsContact O-N 3.14Å
161P54.1Low67.1Low137 Ų137105.8 Ų105.889%0.8960%0.596SS**THydrogen-bonded Turntrans-65.2116.5178.924.9-31.8000109.8R159R159-P161 WeakPolarHBondContact O-CD 3.27Å
162G56.7Low63.9Low83 Ų83112.6 Ų112.686%0.85664%0.638SS**THydrogen-bonded Turntrans143-12.7179.500000115.3K160K160-G162 PolarHBondContact O-N 2.93Å; K160-G162 VanDerWaalsContact O-N 3.14Å
163M52.3Low60.8Low126 Ų126114.8 Ų114.862%0.62166%0.656SS**  trans-11554.2-177.4-131.3151.567.800111.7
164K42.2Very low57.6Low208 Ų208115 Ų11590%0.90467%0.666SS**PPolyproline II helixtrans-74.1140.1166.1-80.7-171.7176.3-176.90109.7
165A43.1Very low54.3Low77 Ų77119 Ų11964%0.63669%0.693SS**PPolyproline II helixtrans-49.4129.6-167.400000114.8G167A165-G167 PolarHBondContact O-N 3.03Å
166L40.5Very low51.1Low187 Ų187125 Ų12598%0.97973%0.73SS**SBendtrans-62.2118.9152.2-88.1142.3000108.1
167G45.2Very low48.3Very low69 Ų69127.1 Ų127.171%0.71175%0.748SS**  trans109.672.8158.900000116.1A165A165-G167 PolarHBondContact O-N 3.03Å
168Q35.7Very low45.1Very low201 Ų201126.6 Ų126.694%0.93977%0.765SS**  trans-147.579.5142.7-96.4179.38.700107.6
169E31Very low42.1Very low194 Ų194131.9 Ų131.991%0.90779%0.793SS**PPolyproline II helixtrans-100.5117.5153.7-73.8-168.3167.100106.9
170A31Very low39.2Very low96 Ų96134.3 Ų134.379%0.79381%0.811SS**PPolyproline II helixtrans-73.1131.4172.500000109.1
171P37.4Very low36.3Very low129 Ų129137 Ų13784%0.83883%0.826SS**PPolyproline II helixtrans-83123.2176.131-29.7000110.5
172T29.6Very low35.2Very low145 Ų145140.7 Ų140.789%0.8983%0.827SS**PPolyproline II helixtrans-71.9136.1162.521.10000110.4
173A31Very low33.7Very low91 Ų91146.2 Ų146.275%0.75283%0.831SS**PPolyproline II helixtrans-74.2143-174.600000114.6
174T28.6Very low32.5Very low132 Ų132144 Ų14481%0.8184%0.84SS**  trans-163.1116.1138.4-8.50000113.5
175T27.8Very low31.8Very low129 Ų129144 Ų14479%0.79184%0.843SS**  trans41.1122.3141.552.60000123.7
176T27.5Very low31Very low133 Ų133144.2 Ų144.282%0.81685%0.853SS**  trans-64.6168159.2-4.60000113.5
177P37.2Very low30.3Very low130 Ų130142.7 Ų142.784%0.84485%0.846SS**  -151.3163.362.536.7-14.4000119.1
178G27.2Very low29.6Very low71 Ų71144.8 Ų144.873%0.73285%0.849SS**  trans128.298.6138.400000120.3
179D28.8Very low29Very low157 Ų157139 Ų13984%0.8484%0.843SS**  trans1.6138.8151.3-52.7-30.3000123.1
180Q29.5Very low28.8Very low195 Ų195133.4 Ų133.491%0.91184%0.838SS**  174.9146.5105-93.2-173.95.700114.2
181E26.6Very low28.6Very low188 Ų188138.2 Ų138.288%0.87984%0.844SS**  trans-70.8156.3-174-58.5164149.600115.6
182K29.8Very low28.2Very low213 Ų213139.6 Ų139.693%0.92684%0.844SS**  -167.9140.6127.3-113.4-179.8-178.3-177.50114.7
183E24.8Very low28Very low200 Ų200141.1 Ų141.194%0.93584%0.839SS**  trans-75.2164.2-179.5-57.2171.8145.500114.3
184G28.3Very low27.7Very low78 Ų78142.4 Ų142.480%0.80483%0.833SS**  trans-179.7104.8163.200000113.5
185E26.3Very low27.6Very low209 Ų209143.1 Ų143.198%0.97783%0.831SS**  trans-67.7160.2173.6-68.4175.3132.500114.1
186G27.7Very low27.8Very low81 Ų81140.6 Ų140.684%0.83582%0.819SS**  trans179.496.4165.700000114.3
187D26.1Very low27.7Very low155 Ų155139.9 Ų139.983%0.82981%0.806SS**  trans-68.5149.6173.1174.942.7000113.7
188S28.5Very low27.5Very low113 Ų113134.9 Ų134.979%0.7977%0.773SS**  175.2131.5129.5490000111.9
189G24.8Very low27.8Very low79 Ų79131.9 Ų131.981%0.81474%0.741SS**  trans-78.4171.7179.800000116
190G25.6Very low28.1Very low77 Ų77124.8 Ų124.879%0.79470%0.703SS**  trans-173.9105.2170.100000110.1
191E27.9Very low28.2Very low198 Ų198116.2 Ų116.293%0.92567%0.665SS**  trans-58136.9174.6-62.5172.6119.700111.4
192N27.7Very low28.3Very low157 Ų157110.7 Ų110.784%0.8465%0.645SS**  trans-155.3141.9137.4-132.7-17.8000114
193K25.5Very low28.5Very low177 Ų177105.1 Ų105.177%0.7762%0.622SS**  trans-71.4159.3-168.8-77.1171170.9172.20114
194D24.9Very low28.6Very low119 Ų119100.2 Ų100.264%0.63661%0.61SS**  trans96131.6143.2-79.7-31.5000121.4R79R79-D194 PolarHBondContact NH2-O 2.91Å
195L26.9Very low28.7Very low146 Ų146101.7 Ų101.776%0.76460%0.603SS**  trans82.980.8157.6-60153.4000117
196S31.5Very low28.8Very low77 Ų7798.5 Ų98.554%0.53859%0.593SS.*  trans-57.2170.215057.70000111.1
197E26.7Very low29Very low118 Ų118100.7 Ų100.755%0.55159%0.59SS**  cis-162.415920.8-116.5128-130.900104.2N115N115-E197 PolarHBondContact OD1-O 3.01Å
198V33.1Very low29.1Very low25 Ų25102.8 Ų102.815%0.15259%0.592CS.*  trans-123.4139.5163.5177.30000105.2L22 N115 A118L22-V198 VanDerWaalsContact CD2-C 3.49Å; L22-V198 HydrophobicContact CD2-CB 4.2Å; L22-V198 HydrophobicContact CD2-CG1 4.31Å; L22-V198 WeakPolarHBondContact CD2-O 3.37Å; N115-V198 WeakPolarHBondContact ND2-CA 3.25Å; A118-V198 HydrophobicContact CB-CG1 4.05Å
199S32.2Very low29.2Very low8 Ų8104.9 Ų104.96%0.05659%0.594CS.*  trans-162.7126.6-162.854.20000110.5E24 R112 N115E24-S199 WeakPolarHBondContact OE2-CA 3.22Å; E24-S199 WeakPolarHBondContact OE2-CB 3.2Å; R112-S199 WeakPolarHBondContact CD-OG 3.46Å; R112-S199 PolarHBondContact NE-OG 3.09Å; N115-S199 PolarHBondContact ND2-N 2.87Å
200E34.9Very low29.4Very low7 Ų7106.5 Ų106.53%0.03359%0.593CS.*  trans-149.4138.7177.8-62.6-169.516500112E24 Y26 H110 V111 Y122E24-E200 WeakPolarHBondContact CB-O 3.27Å; E24-E200 PolarHBondContact OE2-N 3.34Å; Y26-E200 PolarHBondContact OH-O 3.47Å; H110-E200 WeakPolarHBondContact O-CB 3.19Å; H110-E200 WeakPolarHBondContact O-CG 3.45Å; V111-E200 WeakPolarHBondContact CA-OE1 3.45Å; V111-E200 WeakPolarHBondContact CB-OE1 3.44Å; V111-E200 WeakPolarHBondContact CG2-OE1 3.27Å; Y122-E200 VanDerWaalsContact CE2-OE1 3.25Å; Y122-E200 WeakPolarHBondContact CE2-OE1 3.29Å
201A31.8Very low29.8Very low15 Ų15108.1 Ų108.112%0.12459%0.592CS.*PPolyproline II helixtrans-82.6162.6-15300000119.1E24 Y26 Y137 Y138E24-A201 HydrophobicContact CG-CB 4.31Å; Y26-A201 PolarHBondContact OH-O 3.16Å; Y137-A201 HydrophobicContact CD1-CB 3.98Å; Y137-A201 HydrophobicContact CE1-CB 3.47Å; Y137-A201 VanDerWaalsContact CE1-CB 3.47Å; Y138-A201 HydrophobicContact CD1-CB 3.47Å; Y138-A201 VanDerWaalsContact CD1-CB 3.47Å; Y138-A201 HydrophobicContact CE1-CB 3.5Å; Y138-A201 VanDerWaalsContact CE1-CB 3.5Å; Y138-A201 HydrophobicContact CG-CB 4.45Å
202T29.4Very low30.1Very low73 Ų73103.8 Ų103.845%0.44858%0.584SS.*PPolyproline II helixtrans-80.2119.3173.3510000111.9E24 N25 Y26E24-T202 HydrophobicContact CB-CG2 4.49Å; N25-T202 WeakPolarHBondContact O-CG2 3.37Å; Y26-T202 HydrophobicContact CD1-CG2 3.71Å; Y26-T202 HydrophobicContact CE1-CG2 3.61Å; Y26-T202 HydrophobicContact CG-CG2 4.31Å
203E34.1Very low30.6Very low96 Ų96104 Ų10445%0.44959%0.585SS.*PPolyproline II helixtrans-76.7124.9168.7-144.3174.9-168.900109.9K59 T205K59-E203 IonicContact NZ-OE2 2.84Å; K59-E203 PolarHBondContact NZ-OE2 2.76Å; E203-T205 PolarHBondContact O-N 3.39Å
204S27.3Very low31.4Very low97 Ų97100.9 Ų100.968%0.67859%0.585SS**  trans-81.5107.7174.7-172.50000109.4D206S204-D206 PolarHBondContact O-N 3.39Å; S204-D206 VanDerWaalsContact O-N 3.16Å; S204-D206 PolarHBondContact OG-OD2 2.93Å
205T30.2Very low32Very low109 Ų109108 Ų10867%0.66962%0.615SS**  trans-82.485170.557.50000109.7E203 V207E203-T205 PolarHBondContact O-N 3.39Å; T205-V207 PolarHBondContact O-N 3.22Å
206D27.3Very low32.2Very low141 Ų141106.1 Ų106.175%0.75461%0.607SS**  trans-82.594.5164.1-83.8-60.3000109.3S204 K208S204-D206 PolarHBondContact O-N 3.39Å; S204-D206 VanDerWaalsContact O-N 3.16Å; S204-D206 PolarHBondContact OG-OD2 2.93Å; D206-K208 PolarHBondContact O-N 3.33Å
207V32.8Very low32.2Very low127 Ų127107.6 Ų107.677%0.7761%0.611SS**  trans-72.5105.3167-179.30000107.4T205 D209T205-V207 PolarHBondContact O-N 3.22Å; V207-D209 PolarHBondContact O-N 3.15Å; V207-D209 VanDerWaalsContact O-N 3.15Å
208K28.7Very low32.5Very low200 Ų200107.1 Ų107.187%0.8761%0.614SS**  trans-71.1103.2167.9-85.9-179.5178.5172.10109.1D206 S210D206-K208 PolarHBondContact O-N 3.33Å; K208-S210 PolarHBondContact O-N 3.25Å
209D29.3Very low32.5Very low156 Ų156111.9 Ų111.983%0.83464%0.641SS**  trans-67110.2165.4-122.1-22000108.8V207V207-D209 PolarHBondContact O-N 3.15Å; V207-D209 VanDerWaalsContact O-N 3.15Å
210S30.6Very low32.5Very low113 Ų113118.4 Ų118.479%0.7968%0.678SS**  trans-94.687.1170.261.10000109.3K208 S212K208-S210 PolarHBondContact O-N 3.25Å; S210-S212 PolarHBondContact O-N 3.44Å
211S32.7Very low32.4Very low111 Ų111125.8 Ų125.878%0.77672%0.721SS**  trans-83.2101.2162.263.90000108.8
212S35.3Very low32.4Very low108 Ų108133.7 Ų133.776%0.75576%0.764SS**  trans-88.4102161.557.30000108.7S210S210-S212 PolarHBondContact O-N 3.44Å
213D37.2Very low32.7Very low161 Ų161138.4 Ų138.486%0.86179%0.788SS**  trans-57.6130.4159-93.5-31.8000109.1
214S41.6Very low32.5Very low112 Ų112141.9 Ų141.978%0.78382%0.816SS**  trans-115.8112.3163.3-61.10000107.8
215Q37.4Very low33Very low268 Ų268146 Ų146100%1.25283%0.829SS**  trans-770155.2-72.7-175.3-7.600109.7

Retrieved 215 of 215 residues in 876.3 ms (Link to these results)

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