A0A087YF20_POEFO Loading...

diphosphoinositol-polyphosphate diphosphatase

AlphaFold DB (A0A3B3TJK3), UniProt , Accession A0A087YF20, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 186 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
1M53.7Low71.9Confident163 Ų163100.9 Ų100.980%0.80350%0.502SS*.  0129.50-107.3-171.6-83.200108.2L3 S39 R40M1-L3 PolarHBondContact O-N 3.01Å; M1-S39 VanDerWaalsContact CA-O 3.26Å; M1-S39 WeakPolarHBondContact CA-O 3.39Å; M1-R40 HydrophobicContact CG-CG 3.85Å
2K64.6Low73.6Confident42 Ų4295.8 Ų95.818%0.18348%0.478CS..  trans-66.9113.7174.2-172.7174.9-179.5175.70109.7K4 E69 D109 I113K2-K4 HydrophobicContact CG-CG 4.46Å; K2-E69 IonicContact NZ-OE1 2.75Å; K2-E69 PolarHBondContact NZ-OE1 3.45Å; K2-D109 WeakPolarHBondContact CD-OD1 3.29Å; K2-D109 WeakPolarHBondContact CD-OD2 3.24Å; K2-D109 WeakPolarHBondContact CE-OD1 3.23Å; K2-D109 IonicContact NZ-OD1 2.69Å; K2-D109 PolarHBondContact NZ-OD1 3.17Å; K2-D109 IonicContact NZ-OD2 2.78Å; K2-D109 PolarHBondContact NZ-OD2 3.28Å; K2-I113 HydrophobicContact CB-CD1 4.08Å; K2-I113 HydrophobicContact CD-CD1 4.16Å; K2-I113 HydrophobicContact CG-CD1 4.31Å
3L58.9Low75Confident151 Ų15195.5 Ų95.579%0.79152%0.515SS*.  trans-103.9114.5163.8-80.2108.5000107.8M1 P5M1-L3 PolarHBondContact O-N 3.01Å; L3-P5 WeakPolarHBondContact O-CD 3.46Å
4K64.6Low76.2Confident48 Ų4897 Ų9721%0.20952%0.517CS..  trans-91.9101.2163.1-69-178.2176.7-178.30107K2 N6 Q7 E65 E68K2-K4 HydrophobicContact CG-CG 4.46Å; K4-N6 PolarHBondContact O-N 3.18Å; K4-Q7 HydrophobicContact CB-CB 3.66Å; K4-Q7 HydrophobicContact CD-CB 3.82Å; K4-Q7 HydrophobicContact CD-CG 4.29Å; K4-Q7 HydrophobicContact CG-CB 4.44Å; K4-Q7 PolarHBondContact O-N 3.12Å; K4-E65 IonicContact NZ-OE1 3.21Å; K4-E65 PolarHBondContact NZ-OE1 2.84Å; K4-E65 IonicContact NZ-OE2 2.68Å; K4-E65 PolarHBondContact NZ-OE2 3.47Å; K4-E68 WeakPolarHBondContact CE-OE2 3.38Å; K4-E68 IonicContact NZ-OE1 3.56Å; K4-E68 IonicContact NZ-OE2 3.07Å; K4-E68 PolarHBondContact NZ-OE2 3.09Å
5P54Low77.2Confident121 Ų12193.1 Ų93.179%0.78651%0.509SS*.THydrogen-bonded Turntrans-62.9-25.1-17222.9-33000113.6L3L3-P5 WeakPolarHBondContact O-CD 3.46Å
6N61.2Low78.3Confident149 Ų14988.2 Ų88.280%0.79748%0.481SS*.THydrogen-bonded Turntrans-104.8-2-175.9-60.4-8.5000114.2K4 T8K4-N6 PolarHBondContact O-N 3.18Å; N6-T8 PolarHBondContact O-N 3.36Å
7Q72.4Confident79.3Confident38 Ų3884.8 Ų84.818%0.17846%0.461CS..  trans-80.695.1-177.5-173.6171.976.600111.3K4 R9 E53 E65K4-Q7 HydrophobicContact CB-CB 3.66Å; K4-Q7 HydrophobicContact CD-CB 3.82Å; K4-Q7 HydrophobicContact CD-CG 4.29Å; K4-Q7 HydrophobicContact CG-CB 4.44Å; K4-Q7 PolarHBondContact O-N 3.12Å; Q7-R9 PolarHBondContact O-N 2.62Å; Q7-E53 HydrophobicContact CG-CG 3.91Å; Q7-E53 WeakPolarHBondContact CG-OE1 3.44Å; Q7-E53 PolarHBondContact NE2-OE1 2.91Å; Q7-E65 PolarHBondContact NE2-OE1 3.02Å
8T85.6Confident80.3Confident85 Ų8583.3 Ų83.352%0.52145%0.449SS..PPolyproline II helixtrans-61.9125.8172.2-62.60000110.4N6 P54N6-T8 PolarHBondContact O-N 3.36Å; T8-P54 HydrophobicContact CG2-CG 3.61Å
9R87.8Confident81.2Confident161 Ų16180.8 Ų80.861%0.60843%0.433SS*.PPolyproline II helixtrans-83.3123.3179.3-60.3-179.5-174.4171.17.2110.1Q7 Y11Q7-R9 PolarHBondContact O-N 2.62Å; R9-Y11 HydrophobicContact CB-CE2 3.86Å; R9-Y11 WeakPolarHBondContact O-CE2 3.36Å
10T93.8Very high82Confident24 Ų2476.8 Ų76.815%0.14741%0.411CS..PPolyproline II helixtrans-91.9150.9170.758.90000112.2K17 K18 M52 E53 P54T10-K17 WeakPolarHBondContact O-CA 3.26Å; T10-K17 WeakPolarHBondContact O-CG 3.22Å; T10-K18 PolarHBondContact O-N 3.29Å; T10-M52 WeakPolarHBondContact CG2-O 3.47Å; T10-M52 PolarHBondContact OG1-O 3.06Å; T10-E53 VanDerWaalsContact CG2-C 3.46Å; T10-E53 WeakPolarHBondContact CG2-O 3.38Å; T10-P54 HydrophobicContact CG2-CB 4.45Å; T10-P54 HydrophobicContact CG2-CG 4.16Å
11Y94.4Very high82.8Confident128 Ų12873.3 Ų73.350%0.50239%0.393SS..BIsolated β-bridgetrans-133.1157.4176.9-55.3-96.9000109.6R9 F16 K17R9-Y11 HydrophobicContact CB-CE2 3.86Å; R9-Y11 WeakPolarHBondContact O-CE2 3.36Å; Y11-F16 CarbonylContact C-O 3.47Å; Y11-F16 WeakPolarHBondContact CA-O 3.33Å; Y11-K17 HydrophobicContact CD1-CB 3.89Å; Y11-K17 HydrophobicContact CD1-CG 4.43Å; Y11-K17 HydrophobicContact CE1-CB 3.77Å; Y11-K17 HydrophobicContact CE1-CG 4.15Å
12D92.2Very high85Confident39 Ų3965.6 Ų65.621%0.20936%0.355CS..  trans-94.4179.1170.365.825.8000112.7E14 G15 F16 K18 R92D12-E14 PolarHBondContact O-N 3.42Å; D12-E14 VanDerWaalsContact O-N 3.17Å; D12-E14 PolarHBondContact OD1-N 3.24Å; D12-G15 PolarHBondContact O-N 3.29Å; D12-G15 PolarHBondContact OD1-N 2.94Å; D12-F16 PolarHBondContact N-O 3.08Å; D12-F16 WeakPolarHBondContact OD1-CB 3.27Å; D12-F16 PolarHBondContact OD1-N 3.35Å; D12-K18 HydrophobicContact CB-CG 4.39Å; D12-R92 IonicContact OD1-NH1 3.1Å; D12-R92 WeakPolarHBondContact OD2-CD 3.15Å; D12-R92 IonicContact OD2-CZ 3.6Å; D12-R92 IonicContact OD2-NE 3.54Å; D12-R92 IonicContact OD2-NH1 3.19Å; D12-R92 PolarHBondContact OD2-NH1 3.07Å
13G91.3Very high86.6Confident93 Ų9363.6 Ų63.696%0.95935%0.346SS*.THydrogen-bonded Turntrans-64.6-14.4-177.700000115.2
14E91.9Very high88.5Confident116 Ų11656.4 Ų56.454%0.54231%0.308SS..THydrogen-bonded Turntrans-96.12.6175.6-63.7177.985.200112.3D12 F16 K90 R92D12-E14 PolarHBondContact O-N 3.42Å; D12-E14 VanDerWaalsContact O-N 3.17Å; D12-E14 PolarHBondContact OD1-N 3.24Å; E14-F16 HydrophobicContact CB-CD2 3.73Å; E14-F16 HydrophobicContact CB-CE2 3.93Å; E14-K90 PolarHBondContact O-NZ 3.36Å; E14-R92 IonicContact OE1-NH2 3.19Å; E14-R92 IonicContact OE2-CZ 2.75Å; E14-R92 IonicContact OE2-NH1 2.78Å; E14-R92 PolarHBondContact OE2-NH1 2.81Å; E14-R92 IonicContact OE2-NH2 3.21Å; E14-R92 PolarHBondContact OE2-NH2 2.94Å
15G92.3Very high90.1Very high39 Ų3954.1 Ų54.140%0.40230%0.298SS..SBendtrans78.817.4-179.300000113.9D12D12-G15 PolarHBondContact O-N 3.29Å; D12-G15 PolarHBondContact OD1-N 2.94Å
16F94.1Very high92.2Very high14 Ų1452.7 Ų52.76%0.06128%0.28CS..PPolyproline II helixtrans-80.5134.5174.1-72.8-118.2000110.4Y11 D12 E14 K18 E84 N86 K90 R92Y11-F16 CarbonylContact C-O 3.47Å; Y11-F16 WeakPolarHBondContact CA-O 3.33Å; D12-F16 PolarHBondContact N-O 3.08Å; D12-F16 WeakPolarHBondContact OD1-CB 3.27Å; D12-F16 PolarHBondContact OD1-N 3.35Å; E14-F16 HydrophobicContact CB-CD2 3.73Å; E14-F16 HydrophobicContact CB-CE2 3.93Å; F16-K18 PolarHBondContact O-N 3.44Å; F16-E84 HydrophobicContact CE1-CB 4.2Å; F16-E84 HydrophobicContact CE1-CG 4.06Å; F16-N86 WeakPolarHBondContact CE1-OD1 3.13Å; F16-N86 WeakPolarHBondContact CZ-OD1 3.34Å; F16-K90 CarbonylContact C-O 3.51Å; F16-K90 WeakPolarHBondContact CA-O 3.5Å; F16-K90 HydrophobicContact CD1-CB 4.07Å; F16-K90 HydrophobicContact CD2-CD 4.41Å; F16-K90 HydrophobicContact CG-CB 4.08Å; F16-R92 HydrophobicContact CB-CB 3.87Å; F16-R92 HydrophobicContact CD1-CB 3.9Å; F16-R92 HydrophobicContact CG-CB 4.22Å
17K95Very high93.9Very high31 Ų3148 Ų4814%0.13526%0.255CS..EExtended strand (participates in β ladder)trans-66.7122.6169.6-171.2-167.5172.1-173.10108.7T10 Y11 R19 K90 R92T10-K17 WeakPolarHBondContact O-CA 3.26Å; T10-K17 WeakPolarHBondContact O-CG 3.22Å; Y11-K17 HydrophobicContact CD1-CB 3.89Å; Y11-K17 HydrophobicContact CD1-CG 4.43Å; Y11-K17 HydrophobicContact CE1-CB 3.77Å; Y11-K17 HydrophobicContact CE1-CG 4.15Å; K17-R19 HydrophobicContact CD-CG 4.45Å; K17-K90 PolarHBondContact N-O 2.8Å; K17-R92 PolarHBondContact O-N 3.44Å
18K96.9Very high95Very high57 Ų5752.6 Ų52.625%0.24828%0.276CS..EExtended strand (participates in β ladder)trans-72.1133.3175.4-60.5176.667.3-1710110.1T10 D12 F16 M52T10-K18 PolarHBondContact O-N 3.29Å; D12-K18 HydrophobicContact CB-CG 4.39Å; F16-K18 PolarHBondContact O-N 3.44Å; K18-M52 HydrophobicContact CB-CB 4.08Å; K18-M52 HydrophobicContact CB-CG 4.23Å; K18-M52 HydrophobicContact CB-SD 3.78Å; K18-M52 PolarHBondContact O-N 3.49Å; K18-M52 VanDerWaalsContact O-N 3.13Å
19R97.7Very high95.5Very high37 Ų3757.4 Ų57.414%0.1429%0.285CS..EExtended strand (participates in β ladder)trans-140.1156.3-178.1-67.1-164.567.4-161.7-1.3111.2K17 G49 G50 R92 T93 Y94K17-R19 HydrophobicContact CD-CG 4.45Å; R19-G49 PolarHBondContact NH2-O 3.38Å; R19-G50 WeakPolarHBondContact CA-O 3.31Å; R19-G50 WeakPolarHBondContact CB-O 3.3Å; R19-G50 WeakPolarHBondContact CG-O 3.44Å; R19-G50 PolarHBondContact NE-O 3.25Å; R19-R92 PolarHBondContact N-O 3.44Å; R19-T93 HydrophobicContact CB-CG2 3.94Å; R19-T93 CarbonylContact O-C 3.52Å; R19-T93 WeakPolarHBondContact O-CA 3.06Å; R19-Y94 WeakPolarHBondContact O-CD2 3.5Å; R19-Y94 PolarHBondContact O-N 2.91Å
20A98.4Very high95.9Very high0 Ų051.1 Ų51.10%026%0.263CS..EExtended strand (participates in β ladder)trans-136.1151.9171.800000110.8G49 G50 M52 P58 A61 A62 Y94A20-G49 CarbonylContact O-C 3.58Å; A20-G49 WeakPolarHBondContact O-CA 3.25Å; A20-G50 PolarHBondContact O-N 3.27Å; A20-M52 HydrophobicContact CB-CG 4.28Å; A20-P58 VanDerWaalsContact CB-O 3.27Å; A20-P58 WeakPolarHBondContact CB-O 3.39Å; A20-A61 HydrophobicContact CB-CB 3.54Å; A20-A62 HydrophobicContact CB-CB 3.97Å; A20-Y94 CarbonylContact C-O 3.29Å; A20-Y94 WeakPolarHBondContact CA-O 3.36Å
21A98.7Very high96.1Very high4 Ų455.1 Ų55.13%0.03328%0.279CS..EExtended strand (participates in β ladder)trans-154.8160.6-178.700000110.6V47 P48 T93 Y94 V95 Y96A21-V47 HydrophobicContact CB-CG1 4.3Å; A21-P48 WeakPolarHBondContact CA-O 3.44Å; A21-P48 WeakPolarHBondContact CB-O 3.26Å; A21-T93 HydrophobicContact CB-CG2 4.05Å; A21-Y94 PolarHBondContact N-O 2.84Å; A21-V95 WeakPolarHBondContact O-CA 3.45Å; A21-Y96 PolarHBondContact O-N 2.94Å
22C98.6Very high96.2Very high0 Ų051.6 Ų51.60%027%0.268CS..EExtended strand (participates in β ladder)trans-124.4144.1167.7-57.70000111.7C24 V47 P48 A62 V66 Y96 L98C22-C24 PolarHBondContact O-N 3.17Å; C22-V47 VanDerWaalsContact O-CG1 3.28Å; C22-V47 WeakPolarHBondContact O-CG1 3.44Å; C22-P48 PolarHBondContact N-O 3.17Å; C22-A62 VanDerWaalsContact SG-CB 3.58Å; C22-V66 HydrophobicContact CB-CG1 3.73Å; C22-Y96 CarbonylContact C-O 3.5Å; C22-Y96 VanDerWaalsContact CA-O 3.24Å; C22-Y96 WeakPolarHBondContact CA-O 3.46Å; C22-L98 HydrophobicContact CB-CB 3.98Å
23L98.7Very high96.6Very high0 Ų049.8 Ų49.80%026%0.258CS..EExtended strand (participates in β ladder)trans-80.2101.7152.5-58.7-177.1000107.4F25 V33 V47 L80 V95 Y96 L98 Y139 L140 L143L23-F25 HydrophobicContact CB-CD2 4.32Å; L23-F25 HydrophobicContact CB-CE2 3.49Å; L23-F25 VanDerWaalsContact CB-CE2 3.49Å; L23-F25 HydrophobicContact CB-CZ 3.73Å; L23-F25 HydrophobicContact CD1-CE2 4.35Å; L23-F25 HydrophobicContact CD1-CZ 4.07Å; L23-F25 WeakPolarHBondContact O-CD2 3.41Å; L23-F25 PolarHBondContact O-N 3.41Å; L23-V33 HydrophobicContact CB-CG2 4.31Å; L23-V47 HydrophobicContact CD2-CG1 3.99Å; L23-V47 HydrophobicContact CD2-CG2 3.88Å; L23-L80 HydrophobicContact CD1-CD2 3.6Å; L23-V95 HydrophobicContact CG-CG1 4.14Å; L23-Y96 PolarHBondContact N-O 2.78Å; L23-L98 PolarHBondContact O-N 3.03Å; L23-Y139 HydrophobicContact CD2-CD2 4.41Å; L23-L140 HydrophobicContact CD1-CD2 4.01Å; L23-L140 HydrophobicContact CD1-CG 4.5Å; L23-L140 HydrophobicContact CD2-CD2 4.06Å; L23-L140 HydrophobicContact CD2-CG 4.24Å; L23-L143 HydrophobicContact CD1-CD1 4.18Å
24C98.8Very high96.9Very high0 Ų045.5 Ų45.50%021%0.213CC..EExtended strand (participates in β ladder)trans-84.1103.9179.5-68.30000109.7C22 V33 L34 L98 V100 W119C22-C24 PolarHBondContact O-N 3.17Å; C24-V33 CarbonylContact O-C 3.52Å; C24-V33 WeakPolarHBondContact O-CA 3.12Å; C24-L34 HydrophobicContact CB-CB 4Å; C24-L34 PolarHBondContact O-N 3.09Å; C24-L98 CarbonylContact C-O 3.58Å; C24-L98 WeakPolarHBondContact CA-O 3.33Å; C24-L98 HydrophobicContact CB-CD2 4.46Å; C24-V100 HydrophobicContact CB-CG2 3.88Å; C24-W119 WeakPolarHBondContact O-CZ3 3.47Å
25F98.8Very high97.3Very high0 Ų040 Ų400%019%0.187CC..EExtended strand (participates in β ladder)trans-94.3149.8177.8-63-78.8000112.5L23 N27 E30 E32 V33 V97 L98 V100 V122 L143L23-F25 HydrophobicContact CB-CD2 4.32Å; L23-F25 HydrophobicContact CB-CE2 3.49Å; L23-F25 VanDerWaalsContact CB-CE2 3.49Å; L23-F25 HydrophobicContact CB-CZ 3.73Å; L23-F25 HydrophobicContact CD1-CE2 4.35Å; L23-F25 HydrophobicContact CD1-CZ 4.07Å; L23-F25 WeakPolarHBondContact O-CD2 3.41Å; L23-F25 PolarHBondContact O-N 3.41Å; F25-N27 VanDerWaalsContact C-N 3.29Å; F25-N27 PolarHBondContact O-N 3.18Å; F25-E30 VanDerWaalsContact CD1-CA 3.47Å; F25-E30 HydrophobicContact CD1-CB 3.9Å; F25-E30 WeakPolarHBondContact CD1-O 3.26Å; F25-E30 HydrophobicContact CD2-CB 4.15Å; F25-E30 HydrophobicContact CD2-CG 3.95Å; F25-E30 HydrophobicContact CE1-CB 3.98Å; F25-E30 VanDerWaalsContact CE1-O 3.24Å; F25-E30 WeakPolarHBondContact CE1-O 3.49Å; F25-E30 HydrophobicContact CE2-CB 4.21Å; F25-E30 HydrophobicContact CE2-CG 4.23Å; F25-E30 HydrophobicContact CG-CB 3.99Å; F25-E30 HydrophobicContact CG-CG 4.1Å; F25-E30 HydrophobicContact CZ-CB 4.15Å; F25-E32 VanDerWaalsContact CA-O 3.3Å; F25-E32 WeakPolarHBondContact CA-O 3.47Å; F25-E32 WeakPolarHBondContact CD1-O 3.13Å; F25-V33 HydrophobicContact CD1-CB 3.97Å; F25-V33 HydrophobicContact CD1-CG2 4.36Å; F25-V33 HydrophobicContact CE1-CB 3.81Å; F25-V33 HydrophobicContact CE1-CG2 4.12Å; F25-V33 HydrophobicContact CZ-CG2 4.48Å; F25-V97 HydrophobicContact CD2-CG1 3.8Å; F25-V97 HydrophobicContact CE2-CG1 3.92Å; F25-V97 HydrophobicContact CE2-CG2 4.37Å; F25-L98 PolarHBondContact N-O 2.82Å; F25-V100 PolarHBondContact O-N 3.02Å; F25-V122 HydrophobicContact CE1-CG2 4.1Å; F25-L143 HydrophobicContact CE1-CD2 3.93Å; F25-L143 HydrophobicContact CE2-CD1 4Å; F25-L143 HydrophobicContact CE2-CD2 4.3Å; F25-L143 HydrophobicContact CZ-CD1 3.87Å; F25-L143 HydrophobicContact CZ-CD2 3.43Å; F25-L143 VanDerWaalsContact CZ-CD2 3.43Å; F25-L143 HydrophobicContact CZ-CG 4.28Å
26K98.3Very high97.6Very high91 Ų9138.1 Ų38.140%0.39617%0.168SC..SBendtrans-68.7-27.3-178.8-163.1-179.4-176.4179.40113.3E32 W119K26-E32 HydrophobicContact CB-CB 4.01Å; K26-E32 HydrophobicContact CD-CB 4.01Å; K26-E32 VanDerWaalsContact CD-CD 3.42Å; K26-E32 HydrophobicContact CD-CG 4.34Å; K26-E32 WeakPolarHBondContact CD-OE1 3.31Å; K26-E32 WeakPolarHBondContact CD-OE2 3.5Å; K26-E32 WeakPolarHBondContact CE-OE2 3.46Å; K26-E32 PolarHBondContact N-O 3.41Å; K26-E32 IonicContact NZ-OE1 3.98Å; K26-E32 PolarHBondContact NZ-OE1 3.18Å; K26-E32 IonicContact NZ-OE2 2.71Å; K26-E32 PolarHBondContact NZ-OE2 3.45Å; K26-W119 VanDerWaalsContact CA-CH2 3.43Å; K26-W119 HydrophobicContact CB-CD2 4.42Å; K26-W119 HydrophobicContact CB-CE3 3.92Å; K26-W119 HydrophobicContact CB-CH2 3.77Å; K26-W119 HydrophobicContact CB-CZ2 4.26Å; K26-W119 HydrophobicContact CB-CZ3 3.58Å; K26-W119 HydrophobicContact CD-CD2 4.45Å; K26-W119 HydrophobicContact CG-CD2 4.41Å; K26-W119 HydrophobicContact CG-CE3 4.4Å; K26-W119 HydrophobicContact CG-CH2 4.2Å; K26-W119 HydrophobicContact CG-CZ2 4.19Å; K26-W119 HydrophobicContact CG-CZ3 4.31Å
27N97.3Very high97.8Very high52 Ų5237.7 Ų37.728%0.27817%0.167SC..SBendtrans-163.1176.7178.961.765.5000110.1F25 R29 E30F25-N27 VanDerWaalsContact C-N 3.29Å; F25-N27 PolarHBondContact O-N 3.18Å; N27-R29 PolarHBondContact O-N 2.95Å; N27-R29 VanDerWaalsContact O-N 3.11Å; N27-R29 WeakPolarHBondContact OD1-CB 3.13Å; N27-R29 VanDerWaalsContact OD1-CG 3.26Å; N27-R29 WeakPolarHBondContact OD1-CG 3.48Å; N27-R29 PolarHBondContact OD1-N 2.77Å; N27-E30 PolarHBondContact O-N 3.41Å
28E95.1Very high97.9Very high133 Ų13336.7 Ų36.762%0.62116%0.164SC*.THydrogen-bonded Turntrans-69.9-0.1-175.7-59-171.2145.300115.1K75 T99E28-K75 IonicContact OE1-NZ 2.7Å; E28-K75 PolarHBondContact OE1-NZ 3.4Å; E28-T99 HydrophobicContact CG-CG2 4.03Å
29R95.8Very high97.7Very high186 Ų18635.7 Ų35.770%0.70216%0.164SC*.THydrogen-bonded Turntrans-81-15.9172.4-54.7177.8-172.3-174.22.3113.5N27 E31N27-R29 PolarHBondContact O-N 2.95Å; N27-R29 VanDerWaalsContact O-N 3.11Å; N27-R29 WeakPolarHBondContact OD1-CB 3.13Å; N27-R29 VanDerWaalsContact OD1-CG 3.26Å; N27-R29 WeakPolarHBondContact OD1-CG 3.48Å; N27-R29 PolarHBondContact OD1-N 2.77Å; R29-E31 HydrophobicContact CB-CG 3.89Å; R29-E31 VanDerWaalsContact CD-OE2 3.25Å; R29-E31 WeakPolarHBondContact CD-OE2 3.39Å; R29-E31 IonicContact NH1-OE2 2.73Å; R29-E31 PolarHBondContact O-N 3.26Å
30E96.6Very high97.5Very high30 Ų3040 Ų4014%0.1418%0.18CC..  trans6124.1178.2-52.5-176.8174.300114.9F25 N27 R78 V97 V122 L143F25-E30 VanDerWaalsContact CD1-CA 3.47Å; F25-E30 HydrophobicContact CD1-CB 3.9Å; F25-E30 WeakPolarHBondContact CD1-O 3.26Å; F25-E30 HydrophobicContact CD2-CB 4.15Å; F25-E30 HydrophobicContact CD2-CG 3.95Å; F25-E30 HydrophobicContact CE1-CB 3.98Å; F25-E30 VanDerWaalsContact CE1-O 3.24Å; F25-E30 WeakPolarHBondContact CE1-O 3.49Å; F25-E30 HydrophobicContact CE2-CB 4.21Å; F25-E30 HydrophobicContact CE2-CG 4.23Å; F25-E30 HydrophobicContact CG-CB 3.99Å; F25-E30 HydrophobicContact CG-CG 4.1Å; F25-E30 HydrophobicContact CZ-CB 4.15Å; N27-E30 PolarHBondContact O-N 3.41Å; E30-R78 IonicContact OE1-CZ 2.72Å; E30-R78 IonicContact OE1-NH1 3.52Å; E30-R78 PolarHBondContact OE1-NH1 2.96Å; E30-R78 IonicContact OE1-NH2 3.37Å; E30-R78 IonicContact OE2-CZ 3.48Å; E30-R78 IonicContact OE2-NH1 2.82Å; E30-R78 PolarHBondContact OE2-NH1 2.95Å; E30-R78 IonicContact OE2-NH2 3.38Å; E30-R78 PolarHBondContact OE2-NH2 2.91Å; E30-V97 WeakPolarHBondContact OE1-CG1 3.07Å; E30-V122 VanDerWaalsContact O-CG2 3.3Å; E30-V122 WeakPolarHBondContact O-CG2 3.28Å; E30-L143 HydrophobicContact CB-CD2 4.22Å; E30-L143 WeakPolarHBondContact OE2-CD1 3.43Å
31E96.4Very high97.3Very high107 Ų10744.3 Ų44.350%0.520%0.2SC..  trans-83.9-34.5-177.3-65.2169.8148.300114.1R29 T121 V122R29-E31 HydrophobicContact CB-CG 3.89Å; R29-E31 VanDerWaalsContact CD-OE2 3.25Å; R29-E31 WeakPolarHBondContact CD-OE2 3.39Å; R29-E31 IonicContact NH1-OE2 2.73Å; R29-E31 PolarHBondContact O-N 3.26Å; E31-T121 WeakPolarHBondContact O-CA 3.49Å; E31-V122 PolarHBondContact O-N 3.09Å; E31-V122 VanDerWaalsContact O-N 3.09Å
32E98.5Very high97.1Very high55 Ų5548.4 Ų48.426%0.25723%0.227SC..EExtended strand (participates in β ladder)trans-119.3123.6-179-70.9-179.875.200110.7F25 K26 W119 F120F25-E32 VanDerWaalsContact CA-O 3.3Å; F25-E32 WeakPolarHBondContact CA-O 3.47Å; F25-E32 WeakPolarHBondContact CD1-O 3.13Å; K26-E32 HydrophobicContact CB-CB 4.01Å; K26-E32 HydrophobicContact CD-CB 4.01Å; K26-E32 VanDerWaalsContact CD-CD 3.42Å; K26-E32 HydrophobicContact CD-CG 4.34Å; K26-E32 WeakPolarHBondContact CD-OE1 3.31Å; K26-E32 WeakPolarHBondContact CD-OE2 3.5Å; K26-E32 WeakPolarHBondContact CE-OE2 3.46Å; K26-E32 PolarHBondContact N-O 3.41Å; K26-E32 IonicContact NZ-OE1 3.98Å; K26-E32 PolarHBondContact NZ-OE1 3.18Å; K26-E32 IonicContact NZ-OE2 2.71Å; K26-E32 PolarHBondContact NZ-OE2 3.45Å; E32-W119 HydrophobicContact CB-CE3 4.36Å; E32-F120 CarbonylContact C-O 3.52Å; E32-F120 VanDerWaalsContact CA-O 3.31Å; E32-F120 WeakPolarHBondContact CA-O 3.44Å
33V98.8Very high96.9Very high1 Ų154.2 Ų54.21%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-115.1140-178.267.90000111.4L23 C24 F25 F120 A125 L140L23-V33 HydrophobicContact CB-CG2 4.31Å; C24-V33 CarbonylContact O-C 3.52Å; C24-V33 WeakPolarHBondContact O-CA 3.12Å; F25-V33 HydrophobicContact CD1-CB 3.97Å; F25-V33 HydrophobicContact CD1-CG2 4.36Å; F25-V33 HydrophobicContact CE1-CB 3.81Å; F25-V33 HydrophobicContact CE1-CG2 4.12Å; F25-V33 HydrophobicContact CZ-CG2 4.48Å; V33-F120 PolarHBondContact N-O 3.04Å; V33-F120 PolarHBondContact O-N 3.17Å; V33-A125 HydrophobicContact CG1-CB 3.49Å; V33-A125 VanDerWaalsContact CG1-CB 3.49Å; V33-L140 HydrophobicContact CB-CD2 4.41Å; V33-L140 HydrophobicContact CG1-CD1 4.49Å; V33-L140 HydrophobicContact CG1-CD2 4.04Å; V33-L140 HydrophobicContact CG2-CD2 4.37Å
34L98.8Very high96.8Very high3 Ų355.5 Ų55.52%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-85.3122.3176.4-169.974.5000110.2C24 A70 V72 R117 W119C24-L34 HydrophobicContact CB-CB 4Å; C24-L34 PolarHBondContact O-N 3.09Å; L34-A70 HydrophobicContact CD2-CB 3.94Å; L34-V72 HydrophobicContact CD2-CG1 3.6Å; L34-V72 HydrophobicContact CD2-CG2 4.32Å; L34-R117 HydrophobicContact CD1-CB 4.08Å; L34-R117 HydrophobicContact CD1-CG 4.14Å; L34-R117 HydrophobicContact CG-CB 4.34Å; L34-W119 HydrophobicContact CB-CD2 4.28Å; L34-W119 HydrophobicContact CB-CE3 3.85Å; L34-W119 HydrophobicContact CB-CH2 3.91Å; L34-W119 HydrophobicContact CB-CZ2 4.35Å; L34-W119 HydrophobicContact CB-CZ3 3.64Å; L34-W119 HydrophobicContact CD1-CD2 3.86Å; L34-W119 HydrophobicContact CD1-CE3 4.3Å; L34-W119 HydrophobicContact CD1-CG 4.18Å; L34-W119 HydrophobicContact CD1-CZ2 4.17Å
35L98.8Very high96.8Very high0 Ų057.5 Ų57.50%027%0.271CS..EExtended strand (participates in β ladder)trans-107.2160.9168.4-57.5-175.9000110.4W45 V47 R117 E118 F120 A125 V128 L129L35-W45 HydrophobicContact CB-CB 4.21Å; L35-W45 HydrophobicContact CB-CE3 4.1Å; L35-W45 HydrophobicContact CD1-CB 3.91Å; L35-V47 HydrophobicContact CD2-CG2 3.87Å; L35-R117 CarbonylContact O-C 3.56Å; L35-R117 VanDerWaalsContact O-CA 3.22Å; L35-R117 WeakPolarHBondContact O-CA 3.26Å; L35-E118 PolarHBondContact N-O 3.49Å; L35-E118 PolarHBondContact O-N 3.23Å; L35-F120 HydrophobicContact CB-CD2 3.84Å; L35-F120 HydrophobicContact CB-CE2 3.85Å; L35-F120 HydrophobicContact CD1-CD2 3.73Å; L35-F120 HydrophobicContact CD1-CE2 4.06Å; L35-F120 HydrophobicContact CD1-CG 4.24Å; L35-F120 HydrophobicContact CG-CD2 3.73Å; L35-F120 HydrophobicContact CG-CE2 4.19Å; L35-A125 HydrophobicContact CD1-CB 3.95Å; L35-A125 HydrophobicContact CG-CB 4.45Å; L35-V128 HydrophobicContact CD1-CG2 3.79Å; L35-L129 HydrophobicContact CD1-CD1 4.14Å; L35-L129 HydrophobicContact CD1-CD2 4.29Å; L35-L129 HydrophobicContact CD1-CG 4.07Å; L35-L129 HydrophobicContact CD2-CD1 4.09Å
36V98.8Very high96.8Very high0 Ų058.3 Ų58.30%028%0.275CS..EExtended strand (participates in β ladder)trans-124.4152.5175.5-59.70000111.4W45 I46 P48 A70 R115 K116 R117V36-W45 VanDerWaalsContact C-CE3 3.42Å; V36-W45 CarbonylContact O-C 3.6Å; V36-I46 HydrophobicContact CG2-CD1 4.35Å; V36-I46 HydrophobicContact CG2-CG1 3.68Å; V36-I46 PolarHBondContact N-O 3.38Å; V36-I46 PolarHBondContact O-N 2.72Å; V36-P48 HydrophobicContact CG1-CB 4.21Å; V36-P48 HydrophobicContact CG2-CB 3.97Å; V36-A70 HydrophobicContact CG1-CB 3.55Å; V36-R115 HydrophobicContact CB-CG 4.19Å; V36-K116 CarbonylContact C-O 3.44Å; V36-K116 WeakPolarHBondContact CA-O 3.05Å; V36-K116 WeakPolarHBondContact CB-O 3.44Å; V36-R117 HydrophobicContact CG1-CB 3.96Å
37S98.4Very high96.8Very high4 Ų454 Ų543%0.02826%0.257CS..EExtended strand (participates in β ladder)trans-70152.2177.466.20000111.7P42 Q44 R115 K116S37-P42 WeakPolarHBondContact CB-O 3.48Å; S37-Q44 CarbonylContact C-O 3.58Å; S37-Q44 WeakPolarHBondContact CA-O 3.33Å; S37-R115 PolarHBondContact O-NH1 2.96Å; S37-R115 VanDerWaalsContact O-NH1 3.16Å; S37-K116 PolarHBondContact N-O 3.04Å; S37-K116 PolarHBondContact OG-N 3Å
38S96.9Very high96.9Very high11 Ų1151.6 Ų51.68%0.07724%0.243CC..  trans-78.9130.6-178.6-164.80000111.9R40 H41 Q44S38-R40 PolarHBondContact O-N 2.88Å; S38-H41 VanDerWaalsContact CB-O 3.32Å; S38-H41 WeakPolarHBondContact CB-O 3.39Å; S38-H41 CarbonylContact O-C 3.52Å; S38-H41 VanDerWaalsContact O-C 3.29Å; S38-H41 PolarHBondContact O-N 2.83Å; S38-Q44 PolarHBondContact N-O 3.13Å
39S93.6Very high97Very high36 Ų3645.3 Ų45.325%0.25222%0.215SC..SBendtrans-66.24.1175660000115.7M1M1-S39 VanDerWaalsContact CA-O 3.26Å; M1-S39 WeakPolarHBondContact CA-O 3.39Å
40R92.6Very high97Very high128 Ų12836.9 Ų36.948%0.48319%0.185SC..SBendtrans-116.7-33.4173-63.8-172.5-178.5-156.6-1113.4M1 S38M1-R40 HydrophobicContact CG-CG 3.85Å; S38-R40 PolarHBondContact O-N 2.88Å
41H95.1Very high97Very high90 Ų9035.5 Ų35.542%0.41718%0.179SC..  trans-138.587-176.3-55.4-69.2000106.8S38 D43 Q44S38-H41 VanDerWaalsContact CB-O 3.32Å; S38-H41 WeakPolarHBondContact CB-O 3.39Å; S38-H41 CarbonylContact O-C 3.52Å; S38-H41 VanDerWaalsContact O-C 3.29Å; S38-H41 PolarHBondContact O-N 2.83Å; H41-D43 WeakPolarHBondContact CA-OD1 3.33Å; H41-D43 WeakPolarHBondContact CB-OD1 3.47Å; H41-D43 PolarHBondContact O-N 2.7Å; H41-Q44 HydrophobicContact CB-CB 4.09Å; H41-Q44 VanDerWaalsContact CB-CD 3.48Å; H41-Q44 HydrophobicContact CB-CG 3.67Å; H41-Q44 PolarHBondContact O-N 2.66Å
42P94.1Very high97Very high90 Ų9030.4 Ų30.458%0.58416%0.155SC*.THydrogen-bonded Turntrans-63.6-12.5-171.1-24.936.1000115S37S37-P42 WeakPolarHBondContact CB-O 3.48Å
43D94.8Very high96.9Very high121 Ų12130.6 Ų30.665%0.64716%0.157SC*.THydrogen-bonded Turntrans-78.5-16.2170.658-59.1000113.9H41H41-D43 WeakPolarHBondContact CA-OD1 3.33Å; H41-D43 WeakPolarHBondContact CB-OD1 3.47Å; H41-D43 PolarHBondContact O-N 2.7Å
44Q97.6Very high96.6Very high27 Ų2733.9 Ų33.913%0.12618%0.178CC..SBendtrans-104.4139.9-178.3-58.6-178.51.800112.1S37 S38 H41 H132S37-Q44 CarbonylContact C-O 3.58Å; S37-Q44 WeakPolarHBondContact CA-O 3.33Å; S38-Q44 PolarHBondContact N-O 3.13Å; H41-Q44 HydrophobicContact CB-CB 4.09Å; H41-Q44 VanDerWaalsContact CB-CD 3.48Å; H41-Q44 HydrophobicContact CB-CG 3.67Å; H41-Q44 PolarHBondContact O-N 2.66Å; Q44-H132 VanDerWaalsContact CD-CD2 3.46Å; Q44-H132 PolarHBondContact NE2-CD2 3.13Å
45W98.3Very high96.3Very high43 Ų4343.5 Ų43.516%0.16322%0.223CC..EExtended strand (participates in β ladder)trans-91148.9176.2-62.3103.9000112.8L35 V36 K116 E118 F120 V128 L129L35-W45 HydrophobicContact CB-CB 4.21Å; L35-W45 HydrophobicContact CB-CE3 4.1Å; L35-W45 HydrophobicContact CD1-CB 3.91Å; V36-W45 VanDerWaalsContact C-CE3 3.42Å; V36-W45 CarbonylContact O-C 3.6Å; W45-K116 HydrophobicContact CH2-CB 4.17Å; W45-K116 HydrophobicContact CZ3-CB 4.41Å; W45-E118 HydrophobicContact CH2-CB 3.51Å; W45-E118 WeakPolarHBondContact CH2-OE2 3.39Å; W45-E118 HydrophobicContact CZ2-CB 4.06Å; W45-E118 VanDerWaalsContact CZ2-OE2 3.26Å; W45-E118 WeakPolarHBondContact CZ2-OE2 3.2Å; W45-E118 HydrophobicContact CZ3-CB 3.91Å; W45-F120 AromaticContact CD1-CZ 3.88Å; W45-F120 AromaticContact CD2-CE2 3.89Å; W45-F120 HydrophobicContact CD2-CE2 3.89Å; W45-F120 AromaticContact CD2-CZ 3.8Å; W45-F120 HydrophobicContact CD2-CZ 3.8Å; W45-F120 AromaticContact CE2-CZ 3.6Å; W45-F120 HydrophobicContact CE3-CE2 4.08Å; W45-F120 HydrophobicContact CE3-CZ 4.4Å; W45-F120 HydrophobicContact CG-CE2 4.22Å; W45-F120 AromaticContact CG-CZ 3.99Å; W45-F120 HydrophobicContact CG-CZ 3.99Å; W45-F120 HydrophobicContact CZ2-CE2 4.48Å; W45-F120 HydrophobicContact CZ2-CZ 4.06Å; W45-F120 HydrophobicContact CZ3-CE2 4.47Å; W45-F120 AromaticContact NE1-CZ 3.63Å; W45-V128 HydrophobicContact CB-CG2 4.08Å; W45-V128 HydrophobicContact CG-CG2 4.41Å; W45-L129 WeakPolarHBondContact O-CD2 3.24Å
46I98.4Very high96.2Very high16 Ų1645.3 Ų45.38%0.08223%0.231CC..EExtended strand (participates in β ladder)trans-141.3150.9175.375.1172.5000110.5V36 K133V36-I46 HydrophobicContact CG2-CD1 4.35Å; V36-I46 HydrophobicContact CG2-CG1 3.68Å; V36-I46 PolarHBondContact N-O 3.38Å; V36-I46 PolarHBondContact O-N 2.72Å; I46-K133 HydrophobicContact CG2-CD 4.17Å; I46-K133 HydrophobicContact CG2-CG 3.86Å
47V98.5Very high96.1Very high2 Ų250.8 Ų50.81%0.01226%0.257CS..  trans-63.5132160.2174.90000108.9A21 C22 L23 L35 L129 H136 Y139A21-V47 HydrophobicContact CB-CG1 4.3Å; C22-V47 VanDerWaalsContact O-CG1 3.28Å; C22-V47 WeakPolarHBondContact O-CG1 3.44Å; L23-V47 HydrophobicContact CD2-CG1 3.99Å; L23-V47 HydrophobicContact CD2-CG2 3.88Å; L35-V47 HydrophobicContact CD2-CG2 3.87Å; V47-L129 HydrophobicContact CG2-CD1 4.03Å; V47-H136 HydrophobicContact CB-CB 4.41Å; V47-H136 HydrophobicContact CG2-CB 3.96Å; V47-H136 PolarHBondContact N-ND1 3.01Å; V47-Y139 HydrophobicContact CB-CD2 4.45Å; V47-Y139 HydrophobicContact CG1-CD2 4.27Å; V47-Y139 HydrophobicContact CG1-CE2 4.44Å; V47-Y139 HydrophobicContact CG2-CD2 4.25Å
48P98.6Very high96.1Very high0 Ų051.3 Ų51.30%026%0.26CS..  trans-68138.717928.5-35.3000111.8A21 C22 V36 V66 E69 A70A21-P48 WeakPolarHBondContact CA-O 3.44Å; A21-P48 WeakPolarHBondContact CB-O 3.26Å; C22-P48 PolarHBondContact N-O 3.17Å; V36-P48 HydrophobicContact CG1-CB 4.21Å; V36-P48 HydrophobicContact CG2-CB 3.97Å; P48-V66 HydrophobicContact CB-CG1 4.09Å; P48-V66 HydrophobicContact CG-CG1 3.89Å; P48-E69 HydrophobicContact CB-CB 4.2Å; P48-A70 HydrophobicContact CB-CB 4.19Å; P48-A70 HydrophobicContact CG-CB 4.31Å
49G97.8Very high96.2Very high2 Ų257.7 Ų57.72%0.02128%0.282CS..EExtended strand (participates in β ladder)trans157.5150.8-179.100000113R19 A20R19-G49 PolarHBondContact NH2-O 3.38Å; A20-G49 CarbonylContact O-C 3.58Å; A20-G49 WeakPolarHBondContact O-CA 3.25Å
50G96.3Very high96.4Very high8 Ų856.8 Ų56.88%0.08228%0.279CS..EExtended strand (participates in β ladder)trans-137.8-142.6-168.800000114.1R19 A20 E65R19-G50 WeakPolarHBondContact CA-O 3.31Å; R19-G50 WeakPolarHBondContact CB-O 3.3Å; R19-G50 WeakPolarHBondContact CG-O 3.44Å; R19-G50 PolarHBondContact NE-O 3.25Å; A20-G50 PolarHBondContact O-N 3.27Å; G50-E65 WeakPolarHBondContact CA-OE2 3.18Å
51G96.2Very high96.6Very high1 Ų150.7 Ų50.71%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-94.9145.6176.500000110.7R64 E65G51-R64 PolarHBondContact O-NH2 3.35Å; G51-E65 PolarHBondContact N-OE1 3.16Å
52M96.9Very high96.8Very high0 Ų046.4 Ų46.40%024%0.236CC..PPolyproline II helixtrans-75.3137.7164.8-65.5177.760.200109.6T10 K18 A20 E56 P58 A61 Y94T10-M52 WeakPolarHBondContact CG2-O 3.47Å; T10-M52 PolarHBondContact OG1-O 3.06Å; K18-M52 HydrophobicContact CB-CB 4.08Å; K18-M52 HydrophobicContact CB-CG 4.23Å; K18-M52 HydrophobicContact CB-SD 3.78Å; K18-M52 PolarHBondContact O-N 3.49Å; K18-M52 VanDerWaalsContact O-N 3.13Å; A20-M52 HydrophobicContact CB-CG 4.28Å; M52-E56 WeakPolarHBondContact CA-OE2 3.35Å; M52-E56 WeakPolarHBondContact CE-O 3.43Å; M52-P58 HydrophobicContact CE-CB 4.05Å; M52-P58 HydrophobicContact CE-CG 3.67Å; M52-P58 HydrophobicContact SD-CB 4.1Å; M52-P58 HydrophobicContact SD-CG 4.12Å; M52-A61 HydrophobicContact CB-CB 4.32Å; M52-A61 HydrophobicContact CG-CB 3.69Å; M52-Y94 HydrophobicContact SD-CD2 3.97Å; M52-Y94 HydrophobicContact SD-CE2 4.06Å
53E95.1Very high97Very high60 Ų6045 Ų4528%0.2823%0.226SC..PPolyproline II helixtrans-86164.9176-71.4175.9-16400111Q7 T10 E55 E56 R64Q7-E53 HydrophobicContact CG-CG 3.91Å; Q7-E53 WeakPolarHBondContact CG-OE1 3.44Å; Q7-E53 PolarHBondContact NE2-OE1 2.91Å; T10-E53 VanDerWaalsContact CG2-C 3.46Å; T10-E53 WeakPolarHBondContact CG2-O 3.38Å; E53-E55 PolarHBondContact O-N 2.71Å; E53-E56 HydrophobicContact CB-CB 4.15Å; E53-E56 PolarHBondContact N-OE2 3.48Å; E53-E56 VanDerWaalsContact O-CB 3.28Å; E53-E56 WeakPolarHBondContact O-CB 3.39Å; E53-E56 PolarHBondContact O-N 2.93Å; E53-R64 IonicContact OE1-CZ 3.45Å; E53-R64 IonicContact OE1-NE 3.91Å; E53-R64 IonicContact OE1-NH1 3.83Å; E53-R64 PolarHBondContact OE1-NH1 3.15Å; E53-R64 IonicContact OE1-NH2 2.78Å
54P93.6Very high97.2Very high69 Ų6941.4 Ų41.445%0.44820%0.203SC..THydrogen-bonded Turntrans-56138.4175.8-25.135.9000111T8 T10 E56T8-P54 HydrophobicContact CG2-CG 3.61Å; T10-P54 HydrophobicContact CG2-CB 4.45Å; T10-P54 HydrophobicContact CG2-CG 4.16Å; P54-E56 PolarHBondContact O-N 3.39Å
55E92.4Very high97.2Very high206 Ų20640.1 Ų40.196%0.96320%0.197SC*.THydrogen-bonded Turntrans60.64.8-179.6-51.5-178153.800114.9E53E53-E55 PolarHBondContact O-N 2.71Å
56E95.7Very high97.2Very high38 Ų3838.1 Ų38.118%0.17819%0.19CC..  trans-81.8130.2178.6-167.7179.3-143.700111.7M52 E53 P54 A61 R64M52-E56 WeakPolarHBondContact CA-OE2 3.35Å; M52-E56 WeakPolarHBondContact CE-O 3.43Å; E53-E56 HydrophobicContact CB-CB 4.15Å; E53-E56 PolarHBondContact N-OE2 3.48Å; E53-E56 VanDerWaalsContact O-CB 3.28Å; E53-E56 WeakPolarHBondContact O-CB 3.39Å; E53-E56 PolarHBondContact O-N 2.93Å; P54-E56 PolarHBondContact O-N 3.39Å; E56-A61 VanDerWaalsContact CD-CA 3.42Å; E56-A61 VanDerWaalsContact CD-CB 3.43Å; E56-A61 HydrophobicContact CG-CB 3.98Å; E56-A61 VanDerWaalsContact OE1-CA 3.27Å; E56-A61 WeakPolarHBondContact OE1-CA 3.44Å; E56-A61 PolarHBondContact OE1-N 3.43Å; E56-A61 WeakPolarHBondContact OE2-CB 3.38Å; E56-R64 IonicContact OE1-CZ 2.73Å; E56-R64 IonicContact OE1-NE 3.38Å; E56-R64 PolarHBondContact OE1-NE 3.34Å; E56-R64 IonicContact OE1-NH2 3.86Å; E56-R64 PolarHBondContact OE1-NH2 2.8Å; E56-R64 IonicContact OE2-CZ 3.76Å; E56-R64 IonicContact OE2-NE 3.4Å; E56-R64 IonicContact OE2-NH2 3.28Å; E56-R64 PolarHBondContact OE2-NH2 2.95Å
57E97.6Very high97.2Very high115 Ų11541.7 Ų41.754%0.53721%0.205SC..  trans-73.4145.3172.2-74.6-61.4152.300111.9W59 G60 A61E57-W59 HydrophobicContact CB-CD2 4.49Å; E57-W59 HydrophobicContact CB-CG 4.36Å; E57-W59 HydrophobicContact CB-CZ2 4.41Å; E57-W59 VanDerWaalsContact CB-NE1 3.29Å; E57-W59 PolarHBondContact O-N 3.01Å; E57-W59 VanDerWaalsContact O-N 3.12Å; E57-G60 PolarHBondContact O-N 3.1Å; E57-A61 PolarHBondContact O-N 3.44Å
58P98.1Very high97.2Very high15 Ų1542.6 Ų42.610%0.09721%0.209CC..Hα-helixtrans-58.1-33-174.9-2128.7000114.4A20 M52 A62 Y94 Y96A20-P58 VanDerWaalsContact CB-O 3.27Å; A20-P58 WeakPolarHBondContact CB-O 3.39Å; M52-P58 HydrophobicContact CE-CB 4.05Å; M52-P58 HydrophobicContact CE-CG 3.67Å; M52-P58 HydrophobicContact SD-CB 4.1Å; M52-P58 HydrophobicContact SD-CG 4.12Å; P58-A62 WeakPolarHBondContact O-CB 3.42Å; P58-A62 PolarHBondContact O-N 3.2Å; P58-Y94 HydrophobicContact CB-CD1 3.82Å; P58-Y94 HydrophobicContact CB-CD2 3.84Å; P58-Y94 HydrophobicContact CB-CE1 4.36Å; P58-Y94 HydrophobicContact CB-CE2 4.39Å; P58-Y94 HydrophobicContact CB-CG 3.55Å; P58-Y94 HydrophobicContact CG-CD1 3.97Å; P58-Y94 HydrophobicContact CG-CD2 4.11Å; P58-Y94 HydrophobicContact CG-CE1 3.99Å; P58-Y94 HydrophobicContact CG-CE2 4.14Å; P58-Y94 HydrophobicContact CG-CG 4.04Å; P58-Y96 HydrophobicContact CB-CE2 4.18Å
59W98.3Very high97.2Very high144 Ų14443.2 Ų43.255%0.54521%0.212SC..Hα-helixtrans-71.2-36.9177.462.8-96.1000112E57 A62 V63 L76 Y96E57-W59 HydrophobicContact CB-CD2 4.49Å; E57-W59 HydrophobicContact CB-CG 4.36Å; E57-W59 HydrophobicContact CB-CZ2 4.41Å; E57-W59 VanDerWaalsContact CB-NE1 3.29Å; E57-W59 PolarHBondContact O-N 3.01Å; E57-W59 VanDerWaalsContact O-N 3.12Å; W59-A62 PolarHBondContact O-N 3.22Å; W59-V63 WeakPolarHBondContact O-CG2 3.32Å; W59-V63 PolarHBondContact O-N 3.31Å; W59-V63 VanDerWaalsContact O-N 3.13Å; W59-L76 HydrophobicContact CB-CD2 3.77Å; W59-Y96 HydrophobicContact CB-CE1 4.06Å; W59-Y96 HydrophobicContact CB-CE2 4.29Å
60G98.3Very high97.2Very high18 Ų1843.1 Ų43.119%0.18621%0.211CC..Hα-helixtrans-66.5-47.3175.900000110.8E57 A62 V63 R64E57-G60 PolarHBondContact O-N 3.1Å; G60-A62 VanDerWaalsContact C-N 3.27Å; G60-A62 PolarHBondContact O-N 2.86Å; G60-V63 PolarHBondContact O-N 2.93Å; G60-R64 WeakPolarHBondContact O-CB 3.36Å; G60-R64 PolarHBondContact O-N 3.3Å
61A98.2Very high97.3Very high0 Ų042.8 Ų42.80%021%0.207CC..Hα-helixtrans-56.6-39.5173.600000112.7A20 M52 E56 E57 E65A20-A61 HydrophobicContact CB-CB 3.54Å; M52-A61 HydrophobicContact CB-CB 4.32Å; M52-A61 HydrophobicContact CG-CB 3.69Å; E56-A61 VanDerWaalsContact CD-CA 3.42Å; E56-A61 VanDerWaalsContact CD-CB 3.43Å; E56-A61 HydrophobicContact CG-CB 3.98Å; E56-A61 VanDerWaalsContact OE1-CA 3.27Å; E56-A61 WeakPolarHBondContact OE1-CA 3.44Å; E56-A61 PolarHBondContact OE1-N 3.43Å; E56-A61 WeakPolarHBondContact OE2-CB 3.38Å; E57-A61 PolarHBondContact O-N 3.44Å; A61-E65 WeakPolarHBondContact O-CB 3Å; A61-E65 VanDerWaalsContact O-CG 3.26Å; A61-E65 WeakPolarHBondContact O-CG 3.35Å; A61-E65 PolarHBondContact O-N 3.37Å
62A98.5Very high97.5Very high0 Ų042.8 Ų42.80%021%0.207CC..Hα-helixtrans-64.6-48.1178.100000111.4A20 C22 P58 W59 G60 V66 Y96A20-A62 HydrophobicContact CB-CB 3.97Å; C22-A62 VanDerWaalsContact SG-CB 3.58Å; P58-A62 WeakPolarHBondContact O-CB 3.42Å; P58-A62 PolarHBondContact O-N 3.2Å; W59-A62 PolarHBondContact O-N 3.22Å; G60-A62 VanDerWaalsContact C-N 3.27Å; G60-A62 PolarHBondContact O-N 2.86Å; A62-V66 WeakPolarHBondContact O-CG1 3.37Å; A62-V66 PolarHBondContact O-N 3.22Å; A62-Y96 HydrophobicContact CB-CD2 3.74Å; A62-Y96 HydrophobicContact CB-CE2 4.36Å; A62-Y96 HydrophobicContact CB-CG 4.44Å
63V98.6Very high97.5Very high60 Ų6047 Ų4736%0.36423%0.225SC..Hα-helixtrans-64.6-43.8178.6172.80000111.6W59 G60 V66 F67 L76W59-V63 WeakPolarHBondContact O-CG2 3.32Å; W59-V63 PolarHBondContact O-N 3.31Å; W59-V63 VanDerWaalsContact O-N 3.13Å; G60-V63 PolarHBondContact O-N 2.93Å; V63-V66 WeakPolarHBondContact O-CG2 3.3Å; V63-F67 WeakPolarHBondContact O-CB 3.37Å; V63-F67 PolarHBondContact O-N 2.8Å; V63-F67 VanDerWaalsContact O-N 3.15Å; V63-L76 HydrophobicContact CG2-CB 4.38Å; V63-L76 HydrophobicContact CG2-CD1 4.07Å; V63-L76 HydrophobicContact CG2-CD2 4.02Å; V63-L76 HydrophobicContact CG2-CG 4.39Å
64R98.3Very high97.7Very high45 Ų4545.4 Ų45.417%0.1723%0.225CC..Hα-helixtrans-61.3-51.2177.7180-178.154.166.93111.6G51 E53 E56 G60 V66 F67 E68G51-R64 PolarHBondContact O-NH2 3.35Å; E53-R64 IonicContact OE1-CZ 3.45Å; E53-R64 IonicContact OE1-NE 3.91Å; E53-R64 IonicContact OE1-NH1 3.83Å; E53-R64 PolarHBondContact OE1-NH1 3.15Å; E53-R64 IonicContact OE1-NH2 2.78Å; E56-R64 IonicContact OE1-CZ 2.73Å; E56-R64 IonicContact OE1-NE 3.38Å; E56-R64 PolarHBondContact OE1-NE 3.34Å; E56-R64 IonicContact OE1-NH2 3.86Å; E56-R64 PolarHBondContact OE1-NH2 2.8Å; E56-R64 IonicContact OE2-CZ 3.76Å; E56-R64 IonicContact OE2-NE 3.4Å; E56-R64 IonicContact OE2-NH2 3.28Å; E56-R64 PolarHBondContact OE2-NH2 2.95Å; G60-R64 WeakPolarHBondContact O-CB 3.36Å; G60-R64 PolarHBondContact O-N 3.3Å; R64-V66 PolarHBondContact O-N 3.17Å; R64-F67 WeakPolarHBondContact O-CB 3.48Å; R64-F67 PolarHBondContact O-N 2.88Å; R64-E68 VanDerWaalsContact CD-OE1 3.31Å; R64-E68 WeakPolarHBondContact CD-OE1 3.21Å; R64-E68 HydrophobicContact CG-CG 4.41Å; R64-E68 WeakPolarHBondContact CG-OE1 3.47Å; R64-E68 IonicContact CZ-OE1 2.98Å; R64-E68 IonicContact NH1-OE1 3.6Å; R64-E68 PolarHBondContact NH1-OE1 2.98Å; R64-E68 IonicContact NH1-OE2 2.85Å; R64-E68 WeakPolarHBondContact O-CG 3.28Å; R64-E68 PolarHBondContact O-N 3.11Å
65E98.3Very high97.9Very high1 Ų148.2 Ų48.21%0.00523%0.23CC..Hα-helixtrans-67.3-31.5-176.8-67.5-77.8173.800112.7K4 Q7 G50 G51 A61 E69K4-E65 IonicContact NZ-OE1 3.21Å; K4-E65 PolarHBondContact NZ-OE1 2.84Å; K4-E65 IonicContact NZ-OE2 2.68Å; K4-E65 PolarHBondContact NZ-OE2 3.47Å; Q7-E65 PolarHBondContact NE2-OE1 3.02Å; G50-E65 WeakPolarHBondContact CA-OE2 3.18Å; G51-E65 PolarHBondContact N-OE1 3.16Å; A61-E65 WeakPolarHBondContact O-CB 3Å; A61-E65 VanDerWaalsContact O-CG 3.26Å; A61-E65 WeakPolarHBondContact O-CG 3.35Å; A61-E65 PolarHBondContact O-N 3.37Å; E65-E69 VanDerWaalsContact O-CB 3.23Å; E65-E69 WeakPolarHBondContact O-CB 3.35Å; E65-E69 VanDerWaalsContact O-CG 3.28Å; E65-E69 WeakPolarHBondContact O-CG 3.41Å; E65-E69 PolarHBondContact O-N 2.92Å
66V98.5Very high98.2Very high1 Ų141 Ų411%0.00620%0.198CC..Hα-helixtrans-74.2-29.5173.4-57.60000113.4C22 P48 A62 V63 R64 A70 G71 V72 L98C22-V66 HydrophobicContact CB-CG1 3.73Å; P48-V66 HydrophobicContact CB-CG1 4.09Å; P48-V66 HydrophobicContact CG-CG1 3.89Å; A62-V66 WeakPolarHBondContact O-CG1 3.37Å; A62-V66 PolarHBondContact O-N 3.22Å; V63-V66 WeakPolarHBondContact O-CG2 3.3Å; R64-V66 PolarHBondContact O-N 3.17Å; V66-A70 CarbonylContact O-C 3.56Å; V66-A70 WeakPolarHBondContact O-CA 3.22Å; V66-A70 WeakPolarHBondContact O-CB 3.26Å; V66-A70 PolarHBondContact O-N 3.46Å; V66-G71 PolarHBondContact O-N 3.25Å; V66-G71 VanDerWaalsContact O-N 3.15Å; V66-V72 HydrophobicContact CB-CG2 4.33Å; V66-V72 HydrophobicContact CG2-CG2 4.38Å; V66-L98 HydrophobicContact CG2-CD1 4.24Å
67F98.6Very high98.3Very high90 Ų9041.1 Ų41.140%0.39521%0.209SC..Hα-helixtrans-65.4-48.8171.5-177.9-102.3000111V63 R64 G71 K73 L104V63-F67 WeakPolarHBondContact O-CB 3.37Å; V63-F67 PolarHBondContact O-N 2.8Å; V63-F67 VanDerWaalsContact O-N 3.15Å; R64-F67 WeakPolarHBondContact O-CB 3.48Å; R64-F67 PolarHBondContact O-N 2.88Å; F67-G71 VanDerWaalsContact O-CA 3.24Å; F67-G71 WeakPolarHBondContact O-CA 3.49Å; F67-G71 PolarHBondContact O-N 2.88Å; F67-K73 HydrophobicContact CD2-CG 3.93Å; F67-K73 HydrophobicContact CE2-CD 4.39Å; F67-K73 HydrophobicContact CE2-CG 4.18Å; F67-L104 HydrophobicContact CD2-CD1 4.38Å; F67-L104 HydrophobicContact CE2-CD1 3.54Å; F67-L104 HydrophobicContact CZ-CD1 3.89Å
68E97.8Very high98.3Very high22 Ų2240.2 Ų40.210%0.10320%0.201CC..Hα-helixtrans-70.2-41.1179.4-66.5171-16300114.1K4 R64 W107 D109K4-E68 WeakPolarHBondContact CE-OE2 3.38Å; K4-E68 IonicContact NZ-OE1 3.56Å; K4-E68 IonicContact NZ-OE2 3.07Å; K4-E68 PolarHBondContact NZ-OE2 3.09Å; R64-E68 VanDerWaalsContact CD-OE1 3.31Å; R64-E68 WeakPolarHBondContact CD-OE1 3.21Å; R64-E68 HydrophobicContact CG-CG 4.41Å; R64-E68 WeakPolarHBondContact CG-OE1 3.47Å; R64-E68 IonicContact CZ-OE1 2.98Å; R64-E68 IonicContact NH1-OE1 3.6Å; R64-E68 PolarHBondContact NH1-OE1 2.98Å; R64-E68 IonicContact NH1-OE2 2.85Å; R64-E68 WeakPolarHBondContact O-CG 3.28Å; R64-E68 PolarHBondContact O-N 3.11Å; E68-W107 VanDerWaalsContact O-CD1 3.3Å; E68-D109 WeakPolarHBondContact O-CB 3.38Å; E68-D109 PolarHBondContact O-N 3.06Å; E68-D109 VanDerWaalsContact O-N 3.1Å
69E98.3Very high98.3Very high13 Ų1343.3 Ų43.36%0.06122%0.216CC..Hα-helixtrans-89.9-32.5-174.9-58.7-138.514400113.3K2 P48 E65 W107 R115K2-E69 IonicContact NZ-OE1 2.75Å; K2-E69 PolarHBondContact NZ-OE1 3.45Å; P48-E69 HydrophobicContact CB-CB 4.2Å; E65-E69 VanDerWaalsContact O-CB 3.23Å; E65-E69 WeakPolarHBondContact O-CB 3.35Å; E65-E69 VanDerWaalsContact O-CG 3.28Å; E65-E69 WeakPolarHBondContact O-CG 3.41Å; E65-E69 PolarHBondContact O-N 2.92Å; E69-W107 PolarHBondContact O-NE1 3.25Å; E69-R115 VanDerWaalsContact CD-CZ 3.44Å; E69-R115 WeakPolarHBondContact O-CD 3.42Å; E69-R115 IonicContact OE1-CZ 3.86Å; E69-R115 IonicContact OE1-NH1 2.7Å; E69-R115 IonicContact OE1-NH2 2.88Å; E69-R115 PolarHBondContact OE1-NH2 3.26Å; E69-R115 IonicContact OE2-CZ 3.01Å; E69-R115 IonicContact OE2-NH1 2.55Å; E69-R115 PolarHBondContact OE2-NH1 2.84Å; E69-R115 IonicContact OE2-NH2 2.74Å; E69-R115 PolarHBondContact OE2-NH2 2.88Å; E69-R115 VanDerWaalsContact OE2-NH2 3.1Å
70A98.4Very high98.2Very high0 Ų037.5 Ų37.50%020%0.196CC..Hα-helixtrans-118.4-10.5-174.400000114.4L34 V36 P48 V66 V72 R117L34-A70 HydrophobicContact CD2-CB 3.94Å; V36-A70 HydrophobicContact CG1-CB 3.55Å; P48-A70 HydrophobicContact CB-CB 4.19Å; P48-A70 HydrophobicContact CG-CB 4.31Å; V66-A70 CarbonylContact O-C 3.56Å; V66-A70 WeakPolarHBondContact O-CA 3.22Å; V66-A70 WeakPolarHBondContact O-CB 3.26Å; V66-A70 PolarHBondContact O-N 3.46Å; A70-V72 VanDerWaalsContact C-N 3.32Å; A70-V72 HydrophobicContact CB-CG2 4.2Å; A70-V72 PolarHBondContact O-N 2.75Å; A70-R117 WeakPolarHBondContact O-CD 3.38Å; A70-R117 PolarHBondContact O-NH1 3.16Å
71G98.6Very high98.2Very high0 Ų037.6 Ų37.60%020%0.197CC..  trans65.433.9177.800000113.4V66 F67 L104 W107 R117V66-G71 PolarHBondContact O-N 3.25Å; V66-G71 VanDerWaalsContact O-N 3.15Å; F67-G71 VanDerWaalsContact O-CA 3.24Å; F67-G71 WeakPolarHBondContact O-CA 3.49Å; F67-G71 PolarHBondContact O-N 2.88Å; G71-L104 WeakPolarHBondContact O-CB 3.49Å; G71-L104 PolarHBondContact O-N 2.69Å; G71-W107 VanDerWaalsContact CA-CB 3.41Å; G71-W107 VanDerWaalsContact CA-CG 3.44Å; G71-R117 PolarHBondContact O-NH1 3.23Å
72V98.8Very high98.1Very high2 Ų240.7 Ų40.71%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-121150.9179.8-62.10000112L34 V66 A70 V100 E102 T103L34-V72 HydrophobicContact CD2-CG1 3.6Å; L34-V72 HydrophobicContact CD2-CG2 4.32Å; V66-V72 HydrophobicContact CB-CG2 4.33Å; V66-V72 HydrophobicContact CG2-CG2 4.38Å; A70-V72 VanDerWaalsContact C-N 3.32Å; A70-V72 HydrophobicContact CB-CG2 4.2Å; A70-V72 PolarHBondContact O-N 2.75Å; V72-V100 HydrophobicContact CB-CG1 4.06Å; V72-V100 HydrophobicContact CB-CG2 4.18Å; V72-V100 HydrophobicContact CG1-CG1 4.08Å; V72-V100 HydrophobicContact CG1-CG2 4.41Å; V72-V100 HydrophobicContact CG2-CG2 4.15Å; V72-E102 WeakPolarHBondContact CA-O 3.4Å; V72-T103 HydrophobicContact CG1-CG2 4.39Å
73K98.7Very high98Very high88 Ų8841.4 Ų41.438%0.38322%0.218SC..EExtended strand (participates in β ladder)trans-121.4158.9163.7-48.5-178.5-154.1141.60109F67 T101 E102F67-K73 HydrophobicContact CD2-CG 3.93Å; F67-K73 HydrophobicContact CE2-CD 4.39Å; F67-K73 HydrophobicContact CE2-CG 4.18Å; K73-T101 PolarHBondContact O-N 3.44Å; K73-E102 HydrophobicContact CB-CB 4.11Å; K73-E102 WeakPolarHBondContact CD-OE2 3.34Å; K73-E102 VanDerWaalsContact CE-OE1 3.31Å; K73-E102 WeakPolarHBondContact CE-OE1 3.43Å; K73-E102 WeakPolarHBondContact CE-OE2 3.32Å; K73-E102 PolarHBondContact N-O 2.91Å; K73-E102 IonicContact NZ-OE1 3.7Å; K73-E102 PolarHBondContact NZ-OE1 3.49Å; K73-E102 IonicContact NZ-OE2 3.63Å; K73-E102 PolarHBondContact NZ-OE2 2.98Å; K73-E102 PolarHBondContact O-N 3.33Å; K73-E102 VanDerWaalsContact O-N 3.11Å
74G98.1Very high97.7Very high26 Ų2642.5 Ų42.527%0.26822%0.22SC..EExtended strand (participates in β ladder)trans-173.2176.3-178.900000114L76 T99 T101G74-L76 PolarHBondContact O-N 2.81Å; G74-T99 CarbonylContact C-O 3.44Å; G74-T99 WeakPolarHBondContact CA-O 3.37Å; G74-T101 WeakPolarHBondContact CA-OG1 3.24Å
75K98.5Very high97.2Very high129 Ų12943 Ų4356%0.56122%0.224SC*.EExtended strand (participates in β ladder)trans-75.6108.7171.1178.6-178.3169.1-167.10108E28 G77 T99E28-K75 IonicContact OE1-NZ 2.7Å; E28-K75 PolarHBondContact OE1-NZ 3.4Å; K75-G77 PolarHBondContact O-N 3.45Å; K75-T99 PolarHBondContact N-O 2.89Å; K75-T99 PolarHBondContact O-N 2.72Å
76L98.5Very high96.2Very high54 Ų5447.4 Ų47.428%0.28325%0.247SC..EExtended strand (participates in β ladder)trans-65.7132.4171.5-16970.9000109.3W59 V63 G74 Y96 L98W59-L76 HydrophobicContact CB-CD2 3.77Å; V63-L76 HydrophobicContact CG2-CB 4.38Å; V63-L76 HydrophobicContact CG2-CD1 4.07Å; V63-L76 HydrophobicContact CG2-CD2 4.02Å; V63-L76 HydrophobicContact CG2-CG 4.39Å; G74-L76 PolarHBondContact O-N 2.81Å; L76-Y96 HydrophobicContact CD1-CD1 4.36Å; L76-Y96 HydrophobicContact CD1-CG 4.17Å; L76-Y96 HydrophobicContact CD2-CD1 4.35Å; L76-Y96 HydrophobicContact CG-CD1 4.43Å; L76-L98 HydrophobicContact CD1-CB 4.36Å; L76-L98 HydrophobicContact CD1-CD1 4.19Å
77G97.3Very high94.8Very high40 Ų4056.2 Ų56.241%0.41229%0.289SS..EExtended strand (participates in β ladder)trans-111.9-146-179.500000112.5K75 V97K75-G77 PolarHBondContact O-N 3.45Å; G77-V97 WeakPolarHBondContact CA-O 3.24Å; G77-V97 PolarHBondContact N-O 3.5Å
78R97.2Very high93.2Very high97 Ų9758 Ų5837%0.36630%0.302SS..EExtended strand (participates in β ladder)trans-63.4147.5-176.667.8-170.7-178.1-74.54.9112.8E30 L80 Y96 V97E30-R78 IonicContact OE1-CZ 2.72Å; E30-R78 IonicContact OE1-NH1 3.52Å; E30-R78 PolarHBondContact OE1-NH1 2.96Å; E30-R78 IonicContact OE1-NH2 3.37Å; E30-R78 IonicContact OE2-CZ 3.48Å; E30-R78 IonicContact OE2-NH1 2.82Å; E30-R78 PolarHBondContact OE2-NH1 2.95Å; E30-R78 IonicContact OE2-NH2 3.38Å; E30-R78 PolarHBondContact OE2-NH2 2.91Å; R78-L80 PolarHBondContact O-N 3.43Å; R78-Y96 WeakPolarHBondContact O-CA 3.12Å; R78-V97 HydrophobicContact CG-CB 4.28Å; R78-V97 HydrophobicContact CG-CG2 4Å; R78-V97 PolarHBondContact O-N 2.91Å
79L98Very high92Very high79 Ų7963.6 Ų63.641%0.41432%0.322SS..EExtended strand (participates in β ladder)trans-65.8118.8155.6178.369.8000107.3Y94 Y96L79-Y94 HydrophobicContact CD1-CD1 4.37Å; L79-Y96 HydrophobicContact CB-CD1 4.07Å; L79-Y96 HydrophobicContact CB-CE1 3.78Å; L79-Y96 HydrophobicContact CD1-CD1 4.32Å; L79-Y96 HydrophobicContact CD1-CD2 4.13Å; L79-Y96 HydrophobicContact CD1-CE1 4Å; L79-Y96 HydrophobicContact CD1-CE2 3.79Å; L79-Y96 HydrophobicContact CD1-CG 4.38Å; L79-Y96 HydrophobicContact CG-CE1 4.47Å
80L97.4Very high91.6Very high23 Ų2367.9 Ų67.912%0.1234%0.341CS..EExtended strand (participates in β ladder)trans-76.2-34.3175.3-179.562.3000111.4L23 R78 F83 V95 V97 Y139 R142 L143L23-L80 HydrophobicContact CD1-CD2 3.6Å; R78-L80 PolarHBondContact O-N 3.43Å; L80-F83 HydrophobicContact CG-CZ 4.45Å; L80-V95 WeakPolarHBondContact CB-O 3.46Å; L80-V95 HydrophobicContact CD2-CG1 4.35Å; L80-V95 PolarHBondContact N-O 2.86Å; L80-V97 HydrophobicContact CB-CG2 4.44Å; L80-Y139 WeakPolarHBondContact CD2-O 3.28Å; L80-R142 HydrophobicContact CD1-CG 4.31Å; L80-R142 HydrophobicContact CG-CG 4.43Å; L80-L143 HydrophobicContact CD1-CD1 4.29Å; L80-L143 HydrophobicContact CD2-CD1 4.35Å
81G97.1Very high91.4Very high20 Ų2069 Ų6921%0.20635%0.346CS..EExtended strand (participates in β ladder)trans163.3-179.7175.400000113.1V95G81-V95 PolarHBondContact N-O 2.91Å; G81-V95 PolarHBondContact O-N 3.16Å
82V97Very high91.3Very high65 Ų6570.9 Ų70.939%0.39435%0.353SS..EExtended strand (participates in β ladder)trans-110.2126.2171-175.30000107.9R92 T93 Y94V82-R92 HydrophobicContact CG1-CG 3.43Å; V82-R92 VanDerWaalsContact CG1-CG 3.43Å; V82-T93 WeakPolarHBondContact CA-O 3.41Å; V82-Y94 HydrophobicContact CG2-CD1 3.55Å; V82-Y94 HydrophobicContact CG2-CE1 3.67Å; V82-Y94 HydrophobicContact CG2-CG 4.24Å
83F95.3Very high91.3Very high14 Ų1471 Ų716%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-120.7135.6-172.6-64-100.5000111.1L80 T93 V95 E138 Y139 R142L80-F83 HydrophobicContact CG-CZ 4.45Å; F83-T93 PolarHBondContact N-O 2.88Å; F83-T93 PolarHBondContact O-N 2.98Å; F83-V95 HydrophobicContact CD2-CB 3.95Å; F83-V95 HydrophobicContact CD2-CG2 3.52Å; F83-V95 HydrophobicContact CE2-CB 3.86Å; F83-V95 HydrophobicContact CE2-CG2 3.91Å; F83-V95 HydrophobicContact CG-CG2 4.43Å; F83-E138 HydrophobicContact CD1-CG 4.3Å; F83-E138 HydrophobicContact CE1-CG 4.12Å; F83-Y139 HydrophobicContact CB-CD1 4.14Å; F83-Y139 HydrophobicContact CB-CE1 3.48Å; F83-Y139 VanDerWaalsContact CB-CE1 3.48Å; F83-Y139 AromaticContact CD1-CD1 3.57Å; F83-Y139 HydrophobicContact CD1-CD1 3.57Å; F83-Y139 AromaticContact CD1-CE1 3.81Å; F83-Y139 HydrophobicContact CD1-CE1 3.81Å; F83-Y139 AromaticContact CD2-CD1 3.76Å; F83-Y139 HydrophobicContact CD2-CD1 3.76Å; F83-Y139 AromaticContact CD2-CE1 3.84Å; F83-Y139 HydrophobicContact CD2-CE1 3.84Å; F83-Y139 AromaticContact CE1-CD1 3.78Å; F83-Y139 HydrophobicContact CE1-CD1 3.78Å; F83-Y139 HydrophobicContact CE1-CE1 4.46Å; F83-Y139 AromaticContact CE2-CD1 3.97Å; F83-Y139 HydrophobicContact CE2-CD1 3.97Å; F83-Y139 HydrophobicContact CE2-CE1 4.5Å; F83-Y139 AromaticContact CG-CD1 3.55Å; F83-Y139 HydrophobicContact CG-CD1 3.55Å; F83-Y139 AromaticContact CG-CE1 3.44Å; F83-Y139 HydrophobicContact CG-CE1 3.44Å; F83-Y139 VanDerWaalsContact CG-CE1 3.44Å; F83-Y139 AromaticContact CZ-CD1 3.96Å; F83-Y139 HydrophobicContact CZ-CD1 3.96Å; F83-R142 HydrophobicContact CE1-CB 4.21Å; F83-R142 HydrophobicContact CE1-CG 4.47Å; F83-R142 HydrophobicContact CZ-CB 3.97Å; F83-R142 HydrophobicContact CZ-CG 4.06Å
84E93.4Very high91.3Very high84 Ų8469.7 Ų69.739%0.39335%0.347SS..EExtended strand (participates in β ladder)trans-107.2143-176-66-171.217400112.7F16 N86 H91 R92F16-E84 HydrophobicContact CE1-CB 4.2Å; F16-E84 HydrophobicContact CE1-CG 4.06Å; E84-N86 PolarHBondContact OE2-ND2 3.43Å; E84-H91 CarbonylContact C-O 3.4Å; E84-H91 WeakPolarHBondContact CA-O 3.46Å; E84-R92 HydrophobicContact CG-CG 4.37Å; E84-R92 IonicContact OE1-CZ 3.6Å; E84-R92 IonicContact OE1-NE 3.9Å; E84-R92 PolarHBondContact OE1-NE 3.5Å; E84-R92 IonicContact OE1-NH2 2.69Å; E84-R92 PolarHBondContact OE1-NH2 2.97Å
85Q87.6Confident91.3Very high56 Ų5668.5 Ų68.526%0.26233%0.334SS..EExtended strand (participates in β ladder)trans-127.694.8173-171.6177.43100110K90 H91 V135Q85-K90 WeakPolarHBondContact O-CA 3.19Å; Q85-K90 PolarHBondContact O-N 2.7Å; Q85-H91 HydrophobicContact CB-CB 4.19Å; Q85-H91 PolarHBondContact N-O 3.07Å; Q85-H91 PolarHBondContact O-N 2.77Å; Q85-H91 VanDerWaalsContact O-N 3.16Å; Q85-H91 PolarHBondContact OE1-ND1 2.88Å; Q85-V135 HydrophobicContact CB-CG2 4.3Å; Q85-V135 HydrophobicContact CG-CG2 4.08Å
86N77.1Confident91.3Very high93 Ų9363.7 Ų63.750%0.49731%0.313SS..THydrogen-bonded Turntrans-90.2-24.2-166.8-66.6-12.7000114.6F16 E84F16-N86 WeakPolarHBondContact CE1-OD1 3.13Å; F16-N86 WeakPolarHBondContact CZ-OD1 3.34Å; E84-N86 PolarHBondContact OE2-ND2 3.43Å
87Q68.3Low91.3Very high186 Ų18661.3 Ų61.387%0.86930%0.3SS*.THydrogen-bonded Turntrans-67-46.9-168.1-70177.5-10.400114
88D66.1Low91.3Very high128 Ų12859.4 Ų59.468%0.68428%0.281SS*.THydrogen-bonded Turntrans-117-24.7-170.7-61.6-45.7000115.7
89R72.8Confident91.4Very high138 Ų13855.9 Ų55.952%0.52127%0.27SS..SBendtrans-145.90.4-161.9-66.3-165.7173.6119.717.6117.3H91R89-H91 WeakPolarHBondContact CB-NE2 3.44Å; R89-H91 PolarHBondContact O-CD2 2.96Å; R89-H91 PolarHBondContact O-N 2.98Å
90K90.3Very high91.5Very high104 Ų10453 Ų5345%0.45226%0.256SS..  trans39.468.5-173.1-73.4-169.8163.2-164.20112.1E14 F16 K17 Q85E14-K90 PolarHBondContact O-NZ 3.36Å; F16-K90 CarbonylContact C-O 3.51Å; F16-K90 WeakPolarHBondContact CA-O 3.5Å; F16-K90 HydrophobicContact CD1-CB 4.07Å; F16-K90 HydrophobicContact CD2-CD 4.41Å; F16-K90 HydrophobicContact CG-CB 4.08Å; K17-K90 PolarHBondContact N-O 2.8Å; Q85-K90 WeakPolarHBondContact O-CA 3.19Å; Q85-K90 PolarHBondContact O-N 2.7Å
91H94.1Very high91.5Very high24 Ų2457.1 Ų57.111%0.11128%0.282CS..EExtended strand (participates in β ladder)trans-98.7135.2173.9-61.7155.3000110.4E84 Q85 R89E84-H91 CarbonylContact C-O 3.4Å; E84-H91 WeakPolarHBondContact CA-O 3.46Å; Q85-H91 HydrophobicContact CB-CB 4.19Å; Q85-H91 PolarHBondContact N-O 3.07Å; Q85-H91 PolarHBondContact O-N 2.77Å; Q85-H91 VanDerWaalsContact O-N 3.16Å; Q85-H91 PolarHBondContact OE1-ND1 2.88Å; R89-H91 WeakPolarHBondContact CB-NE2 3.44Å; R89-H91 PolarHBondContact O-CD2 2.96Å; R89-H91 PolarHBondContact O-N 2.98Å
92R96.1Very high91.6Very high39 Ų3959.7 Ų59.715%0.14729%0.289CS..EExtended strand (participates in β ladder)trans-118112168.6-172.1172-80.9161.2-13.2107.8D12 E14 F16 K17 R19 V82 E84D12-R92 IonicContact OD1-NH1 3.1Å; D12-R92 WeakPolarHBondContact OD2-CD 3.15Å; D12-R92 IonicContact OD2-CZ 3.6Å; D12-R92 IonicContact OD2-NE 3.54Å; D12-R92 IonicContact OD2-NH1 3.19Å; D12-R92 PolarHBondContact OD2-NH1 3.07Å; E14-R92 IonicContact OE1-NH2 3.19Å; E14-R92 IonicContact OE2-CZ 2.75Å; E14-R92 IonicContact OE2-NH1 2.78Å; E14-R92 PolarHBondContact OE2-NH1 2.81Å; E14-R92 IonicContact OE2-NH2 3.21Å; E14-R92 PolarHBondContact OE2-NH2 2.94Å; F16-R92 HydrophobicContact CB-CB 3.87Å; F16-R92 HydrophobicContact CD1-CB 3.9Å; F16-R92 HydrophobicContact CG-CB 4.22Å; K17-R92 PolarHBondContact O-N 3.44Å; R19-R92 PolarHBondContact N-O 3.44Å; V82-R92 HydrophobicContact CG1-CG 3.43Å; V82-R92 VanDerWaalsContact CG1-CG 3.43Å; E84-R92 HydrophobicContact CG-CG 4.37Å; E84-R92 IonicContact OE1-CZ 3.6Å; E84-R92 IonicContact OE1-NE 3.9Å; E84-R92 PolarHBondContact OE1-NE 3.5Å; E84-R92 IonicContact OE1-NH2 2.69Å; E84-R92 PolarHBondContact OE1-NH2 2.97Å
93T97.8Very high91.7Very high4 Ų459.8 Ų59.83%0.02529%0.289CS..EExtended strand (participates in β ladder)trans-114.6118.5-168.2-47.80000110.9R19 A21 V82 F83 V95R19-T93 HydrophobicContact CB-CG2 3.94Å; R19-T93 CarbonylContact O-C 3.52Å; R19-T93 WeakPolarHBondContact O-CA 3.06Å; A21-T93 HydrophobicContact CB-CG2 4.05Å; V82-T93 WeakPolarHBondContact CA-O 3.41Å; F83-T93 PolarHBondContact N-O 2.88Å; F83-T93 PolarHBondContact O-N 2.98Å; T93-V95 HydrophobicContact CG2-CG2 4.06Å
94Y98.4Very high91.8Very high61 Ų6161.3 Ų61.324%0.23930%0.298CS..EExtended strand (participates in β ladder)trans-78.2121168.5-62.1-100.8000108.5R19 A20 A21 M52 P58 L79 V82R19-Y94 WeakPolarHBondContact O-CD2 3.5Å; R19-Y94 PolarHBondContact O-N 2.91Å; A20-Y94 CarbonylContact C-O 3.29Å; A20-Y94 WeakPolarHBondContact CA-O 3.36Å; A21-Y94 PolarHBondContact N-O 2.84Å; M52-Y94 HydrophobicContact SD-CD2 3.97Å; M52-Y94 HydrophobicContact SD-CE2 4.06Å; P58-Y94 HydrophobicContact CB-CD1 3.82Å; P58-Y94 HydrophobicContact CB-CD2 3.84Å; P58-Y94 HydrophobicContact CB-CE1 4.36Å; P58-Y94 HydrophobicContact CB-CE2 4.39Å; P58-Y94 HydrophobicContact CB-CG 3.55Å; P58-Y94 HydrophobicContact CG-CD1 3.97Å; P58-Y94 HydrophobicContact CG-CD2 4.11Å; P58-Y94 HydrophobicContact CG-CE1 3.99Å; P58-Y94 HydrophobicContact CG-CE2 4.14Å; P58-Y94 HydrophobicContact CG-CG 4.04Å; L79-Y94 HydrophobicContact CD1-CD1 4.37Å; V82-Y94 HydrophobicContact CG2-CD1 3.55Å; V82-Y94 HydrophobicContact CG2-CE1 3.67Å; V82-Y94 HydrophobicContact CG2-CG 4.24Å
95V98.6Very high91.9Very high0 Ų066.4 Ų66.40%032%0.322CS..EExtended strand (participates in β ladder)trans-113.4118.3-177.4-178.30000109.2A21 L23 L80 G81 F83 T93 Y139A21-V95 WeakPolarHBondContact O-CA 3.45Å; L23-V95 HydrophobicContact CG-CG1 4.14Å; L80-V95 WeakPolarHBondContact CB-O 3.46Å; L80-V95 HydrophobicContact CD2-CG1 4.35Å; L80-V95 PolarHBondContact N-O 2.86Å; G81-V95 PolarHBondContact N-O 2.91Å; G81-V95 PolarHBondContact O-N 3.16Å; F83-V95 HydrophobicContact CD2-CB 3.95Å; F83-V95 HydrophobicContact CD2-CG2 3.52Å; F83-V95 HydrophobicContact CE2-CB 3.86Å; F83-V95 HydrophobicContact CE2-CG2 3.91Å; F83-V95 HydrophobicContact CG-CG2 4.43Å; T93-V95 HydrophobicContact CG2-CG2 4.06Å; V95-Y139 HydrophobicContact CG1-CD2 3.99Å; V95-Y139 HydrophobicContact CG1-CG 4.15Å; V95-Y139 HydrophobicContact CG2-CD1 3.98Å; V95-Y139 HydrophobicContact CG2-CD2 3.81Å; V95-Y139 HydrophobicContact CG2-CE1 3.82Å; V95-Y139 HydrophobicContact CG2-CE2 3.63Å; V95-Y139 HydrophobicContact CG2-CG 4Å
96Y98.6Very high92.3Very high29 Ų2966.7 Ų66.711%0.11433%0.334CS..EExtended strand (participates in β ladder)trans-102.3162.5176.4-69.5-96000111.5A21 C22 L23 P58 W59 A62 L76 R78 L79A21-Y96 PolarHBondContact O-N 2.94Å; C22-Y96 CarbonylContact C-O 3.5Å; C22-Y96 VanDerWaalsContact CA-O 3.24Å; C22-Y96 WeakPolarHBondContact CA-O 3.46Å; L23-Y96 PolarHBondContact N-O 2.78Å; P58-Y96 HydrophobicContact CB-CE2 4.18Å; W59-Y96 HydrophobicContact CB-CE1 4.06Å; W59-Y96 HydrophobicContact CB-CE2 4.29Å; A62-Y96 HydrophobicContact CB-CD2 3.74Å; A62-Y96 HydrophobicContact CB-CE2 4.36Å; A62-Y96 HydrophobicContact CB-CG 4.44Å; L76-Y96 HydrophobicContact CD1-CD1 4.36Å; L76-Y96 HydrophobicContact CD1-CG 4.17Å; L76-Y96 HydrophobicContact CD2-CD1 4.35Å; L76-Y96 HydrophobicContact CG-CD1 4.43Å; R78-Y96 WeakPolarHBondContact O-CA 3.12Å; L79-Y96 HydrophobicContact CB-CD1 4.07Å; L79-Y96 HydrophobicContact CB-CE1 3.78Å; L79-Y96 HydrophobicContact CD1-CD1 4.32Å; L79-Y96 HydrophobicContact CD1-CD2 4.13Å; L79-Y96 HydrophobicContact CD1-CE1 4Å; L79-Y96 HydrophobicContact CD1-CE2 3.79Å; L79-Y96 HydrophobicContact CD1-CG 4.38Å; L79-Y96 HydrophobicContact CG-CE1 4.47Å
97V98.4Very high93.3Very high3 Ų363.7 Ų63.72%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-94.7138.2164.3174.90000108.4F25 E30 G77 R78 L80 L143F25-V97 HydrophobicContact CD2-CG1 3.8Å; F25-V97 HydrophobicContact CE2-CG1 3.92Å; F25-V97 HydrophobicContact CE2-CG2 4.37Å; E30-V97 WeakPolarHBondContact OE1-CG1 3.07Å; G77-V97 WeakPolarHBondContact CA-O 3.24Å; G77-V97 PolarHBondContact N-O 3.5Å; R78-V97 HydrophobicContact CG-CB 4.28Å; R78-V97 HydrophobicContact CG-CG2 4Å; R78-V97 PolarHBondContact O-N 2.91Å; L80-V97 HydrophobicContact CB-CG2 4.44Å; V97-L143 HydrophobicContact CG2-CD1 4.12Å
98L98.7Very high94.6Very high1 Ų158.9 Ų58.91%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-136.4125174.9179.3142.6000110.2C22 L23 C24 F25 V66 L76 V100C22-L98 HydrophobicContact CB-CB 3.98Å; L23-L98 PolarHBondContact O-N 3.03Å; C24-L98 CarbonylContact C-O 3.58Å; C24-L98 WeakPolarHBondContact CA-O 3.33Å; C24-L98 HydrophobicContact CB-CD2 4.46Å; F25-L98 PolarHBondContact N-O 2.82Å; V66-L98 HydrophobicContact CG2-CD1 4.24Å; L76-L98 HydrophobicContact CD1-CB 4.36Å; L76-L98 HydrophobicContact CD1-CD1 4.19Å; L98-V100 HydrophobicContact CD2-CG2 3.81Å
99T98.8Very high96.1Very high23 Ų2352.9 Ų52.914%0.14126%0.261CS..EExtended strand (participates in β ladder)trans-88113.2172.6-53.80000108.7E28 G74 K75 T101E28-T99 HydrophobicContact CG-CG2 4.03Å; G74-T99 CarbonylContact C-O 3.44Å; G74-T99 WeakPolarHBondContact CA-O 3.37Å; K75-T99 PolarHBondContact N-O 2.89Å; K75-T99 PolarHBondContact O-N 2.72Å; T99-T101 PolarHBondContact O-N 3.04Å
100V98.8Very high97.2Very high18 Ų1847.7 Ų47.711%0.10925%0.246CC..EExtended strand (participates in β ladder)trans-66.1131.4-177.9175.80000110.4C24 F25 V72 L98 E102 W119C24-V100 HydrophobicContact CB-CG2 3.88Å; F25-V100 PolarHBondContact O-N 3.02Å; V72-V100 HydrophobicContact CB-CG1 4.06Å; V72-V100 HydrophobicContact CB-CG2 4.18Å; V72-V100 HydrophobicContact CG1-CG1 4.08Å; V72-V100 HydrophobicContact CG1-CG2 4.41Å; V72-V100 HydrophobicContact CG2-CG2 4.15Å; L98-V100 HydrophobicContact CD2-CG2 3.81Å; V100-E102 WeakPolarHBondContact CG1-O 3.35Å; V100-W119 HydrophobicContact CB-CH2 4.09Å; V100-W119 HydrophobicContact CB-CZ2 4.5Å; V100-W119 HydrophobicContact CG1-CZ2 4.5Å; V100-W119 HydrophobicContact CG2-CH2 3.84Å; V100-W119 HydrophobicContact CG2-CZ2 4.49Å
101T98.6Very high97.5Very high109 Ų10947.7 Ų47.767%0.66925%0.254SS*.EExtended strand (participates in β ladder)trans-120.9-20.6176.861.60000112.7K73 G74 T99K73-T101 PolarHBondContact O-N 3.44Å; G74-T101 WeakPolarHBondContact CA-OG1 3.24Å; T99-T101 PolarHBondContact O-N 3.04Å
102E98.6Very high97.6Very high75 Ų7551.8 Ų51.835%0.3528%0.277SS..EExtended strand (participates in β ladder)trans-140.7142.4-179.8-167.6-169137.400109.4V72 K73 V100 L104V72-E102 WeakPolarHBondContact CA-O 3.4Å; K73-E102 HydrophobicContact CB-CB 4.11Å; K73-E102 WeakPolarHBondContact CD-OE2 3.34Å; K73-E102 VanDerWaalsContact CE-OE1 3.31Å; K73-E102 WeakPolarHBondContact CE-OE1 3.43Å; K73-E102 WeakPolarHBondContact CE-OE2 3.32Å; K73-E102 PolarHBondContact N-O 2.91Å; K73-E102 IonicContact NZ-OE1 3.7Å; K73-E102 PolarHBondContact NZ-OE1 3.49Å; K73-E102 IonicContact NZ-OE2 3.63Å; K73-E102 PolarHBondContact NZ-OE2 2.98Å; K73-E102 PolarHBondContact O-N 3.33Å; K73-E102 VanDerWaalsContact O-N 3.11Å; V100-E102 WeakPolarHBondContact CG1-O 3.35Å; E102-L104 VanDerWaalsContact OE1-CD2 3.3Å; E102-L104 WeakPolarHBondContact OE1-CD2 3.42Å
103T98.6Very high97.5Very high67 Ų6753.1 Ų53.141%0.41129%0.287SS..EExtended strand (participates in β ladder)trans-137.1111.1-179.1-65.70000108.7V72 R117V72-T103 HydrophobicContact CG1-CG2 4.39Å; T103-R117 VanDerWaalsContact CG2-NH2 3.28Å
104L98.4Very high97.4Very high46 Ų4655.4 Ų55.424%0.24131%0.31CS..  trans-77.4137.9-178.3-62.3179.9000111.2F67 G71 E102 A106 R117F67-L104 HydrophobicContact CD2-CD1 4.38Å; F67-L104 HydrophobicContact CE2-CD1 3.54Å; F67-L104 HydrophobicContact CZ-CD1 3.89Å; G71-L104 WeakPolarHBondContact O-CB 3.49Å; G71-L104 PolarHBondContact O-N 2.69Å; E102-L104 VanDerWaalsContact OE1-CD2 3.3Å; E102-L104 WeakPolarHBondContact OE1-CD2 3.42Å; L104-A106 WeakPolarHBondContact CB-O 3.07Å; L104-R117 PolarHBondContact O-NH1 2.98Å; L104-R117 PolarHBondContact O-NH2 3.2Å
105E96.1Very high97.4Very high190 Ų19052.8 Ų52.889%0.88830%0.3SS*.SBendtrans-65.3-43.8176.4-61.5-174.2155.700112.3
106A96.1Very high97.4Very high63 Ų6359.1 Ų59.152%0.52133%0.328SS..SBendtrans-118.5142173.600000110.4L104 V111L104-A106 WeakPolarHBondContact CB-O 3.07Å; A106-V111 HydrophobicContact CB-CG2 4.19Å
107W97.8Very high97.4Very high29 Ų2960.5 Ų60.511%0.1133%0.333CS..  trans-149.7169.3-179.369.599.7000110.5E68 E69 G71 D109 S110 V111 R115 R117E68-W107 VanDerWaalsContact O-CD1 3.3Å; E69-W107 PolarHBondContact O-NE1 3.25Å; G71-W107 VanDerWaalsContact CA-CB 3.41Å; G71-W107 VanDerWaalsContact CA-CG 3.44Å; W107-D109 PolarHBondContact O-N 3.11Å; W107-S110 PolarHBondContact N-OG 2.85Å; W107-S110 VanDerWaalsContact N-OG 3.09Å; W107-S110 PolarHBondContact O-N 2.78Å; W107-S110 PolarHBondContact O-OG 2.88Å; W107-S110 VanDerWaalsContact O-OG 3.04Å; W107-V111 WeakPolarHBondContact O-CG2 3.39Å; W107-V111 PolarHBondContact O-N 2.78Å; W107-V111 VanDerWaalsContact O-N 3.08Å; W107-R115 WeakPolarHBondContact CZ2-O 3.27Å; W107-R117 HydrophobicContact CH2-CB 4.45Å; W107-R117 HydrophobicContact CH2-CG 3.88Å; W107-R117 HydrophobicContact CZ2-CB 4.27Å; W107-R117 HydrophobicContact CZ2-CG 4.15Å; W107-R117 VanDerWaalsContact CZ3-CZ 3.48Å
108E95.3Very high97.4Very high86 Ų8665.2 Ų65.240%0.40236%0.355SS..Hα-helixtrans-50.8-54.7-170.1-173.7-176.3114.500112.7V111 N112E108-V111 PolarHBondContact O-N 3.1Å; E108-N112 VanDerWaalsContact CG-ND2 3.25Å; E108-N112 WeakPolarHBondContact CG-ND2 3.46Å; E108-N112 WeakPolarHBondContact O-CB 3.2Å; E108-N112 VanDerWaalsContact O-CG 3.27Å; E108-N112 PolarHBondContact O-N 2.89Å; E108-N112 PolarHBondContact O-ND2 3.15Å
109D96.8Very high97.4Very high2 Ų268.8 Ų68.81%0.01137%0.368CS..Hα-helixtrans-75.4-23.8-176.7-89.38.7000115.1K2 E68 W107 I113 G114 R115K2-D109 WeakPolarHBondContact CD-OD1 3.29Å; K2-D109 WeakPolarHBondContact CD-OD2 3.24Å; K2-D109 WeakPolarHBondContact CE-OD1 3.23Å; K2-D109 IonicContact NZ-OD1 2.69Å; K2-D109 PolarHBondContact NZ-OD1 3.17Å; K2-D109 IonicContact NZ-OD2 2.78Å; K2-D109 PolarHBondContact NZ-OD2 3.28Å; E68-D109 WeakPolarHBondContact O-CB 3.38Å; E68-D109 PolarHBondContact O-N 3.06Å; E68-D109 VanDerWaalsContact O-N 3.1Å; W107-D109 PolarHBondContact O-N 3.11Å; D109-I113 HydrophobicContact CB-CD1 4.22Å; D109-I113 HydrophobicContact CB-CG1 4.03Å; D109-I113 CarbonylContact O-C 3.59Å; D109-I113 WeakPolarHBondContact O-CG1 3.45Å; D109-I113 PolarHBondContact O-N 2.68Å; D109-G114 PolarHBondContact O-N 2.69Å; D109-R115 HydrophobicContact CB-CB 3.74Å; D109-R115 HydrophobicContact CB-CG 4.38Å; D109-R115 WeakPolarHBondContact O-CB 3.33Å; D109-R115 PolarHBondContact O-N 3.43Å; D109-R115 IonicContact OD2-CZ 2.77Å; D109-R115 IonicContact OD2-NE 2.82Å; D109-R115 PolarHBondContact OD2-NE 2.95Å; D109-R115 IonicContact OD2-NH2 3.78Å; D109-R115 PolarHBondContact OD2-NH2 2.82Å
110S96.6Very high97.4Very high29 Ų2968.7 Ų68.720%0.20337%0.366CS..Hα-helixtrans-71.1-41.6172.456.90000111.2W107 G114W107-S110 PolarHBondContact N-OG 2.85Å; W107-S110 VanDerWaalsContact N-OG 3.09Å; W107-S110 PolarHBondContact O-N 2.78Å; W107-S110 PolarHBondContact O-OG 2.88Å; W107-S110 VanDerWaalsContact O-OG 3.04Å; S110-G114 VanDerWaalsContact O-CA 3.24Å; S110-G114 WeakPolarHBondContact O-CA 3.12Å; S110-G114 PolarHBondContact O-N 2.87Å; S110-G114 VanDerWaalsContact O-N 3.1Å
111V96.6Very high97.4Very high104 Ų10470.8 Ų70.863%0.6338%0.378SS*.Hα-helixtrans-71-47.9177.9177.60000111.5A106 W107 E108A106-V111 HydrophobicContact CB-CG2 4.19Å; W107-V111 WeakPolarHBondContact O-CG2 3.39Å; W107-V111 PolarHBondContact O-N 2.78Å; W107-V111 VanDerWaalsContact O-N 3.08Å; E108-V111 PolarHBondContact O-N 3.1Å
112N95.6Very high97.3Very high110 Ų11066.2 Ų66.259%0.58835%0.351SS*.Hα-helixtrans-81.1-30.9-170.4-68.8-23.6000114.2E108E108-N112 VanDerWaalsContact CG-ND2 3.25Å; E108-N112 WeakPolarHBondContact CG-ND2 3.46Å; E108-N112 WeakPolarHBondContact O-CB 3.2Å; E108-N112 VanDerWaalsContact O-CG 3.27Å; E108-N112 PolarHBondContact O-N 2.89Å; E108-N112 PolarHBondContact O-ND2 3.15Å
113I94.9Very high97.3Very high67 Ų6767 Ų6734%0.34436%0.357SS..Hα-helixtrans-136.28.9-174.766.1169000114.4K2 D109 R115K2-I113 HydrophobicContact CB-CD1 4.08Å; K2-I113 HydrophobicContact CD-CD1 4.16Å; K2-I113 HydrophobicContact CG-CD1 4.31Å; D109-I113 HydrophobicContact CB-CD1 4.22Å; D109-I113 HydrophobicContact CB-CG1 4.03Å; D109-I113 CarbonylContact O-C 3.59Å; D109-I113 WeakPolarHBondContact O-CG1 3.45Å; D109-I113 PolarHBondContact O-N 2.68Å; I113-R115 VanDerWaalsContact C-N 3.26Å; I113-R115 HydrophobicContact CD1-CB 4.38Å; I113-R115 HydrophobicContact CG1-CB 4.12Å; I113-R115 PolarHBondContact O-N 3.03Å
114G96Very high97.2Very high51 Ų5168.2 Ų68.253%0.52636%0.358SS..  trans65.126.6179.900000113.9D109 S110 K116D109-G114 PolarHBondContact O-N 2.69Å; S110-G114 VanDerWaalsContact O-CA 3.24Å; S110-G114 WeakPolarHBondContact O-CA 3.12Å; S110-G114 PolarHBondContact O-N 2.87Å; S110-G114 VanDerWaalsContact O-N 3.1Å; G114-K116 PolarHBondContact O-N 3.34Å
115R97.5Very high97.2Very high6 Ų666 Ų662%0.02335%0.347CS..  trans-64.6136.2179.8-171178.3-70.7-128.526.6110.5V36 S37 E69 W107 D109 I113V36-R115 HydrophobicContact CB-CG 4.19Å; S37-R115 PolarHBondContact O-NH1 2.96Å; S37-R115 VanDerWaalsContact O-NH1 3.16Å; E69-R115 VanDerWaalsContact CD-CZ 3.44Å; E69-R115 WeakPolarHBondContact O-CD 3.42Å; E69-R115 IonicContact OE1-CZ 3.86Å; E69-R115 IonicContact OE1-NH1 2.7Å; E69-R115 IonicContact OE1-NH2 2.88Å; E69-R115 PolarHBondContact OE1-NH2 3.26Å; E69-R115 IonicContact OE2-CZ 3.01Å; E69-R115 IonicContact OE2-NH1 2.55Å; E69-R115 PolarHBondContact OE2-NH1 2.84Å; E69-R115 IonicContact OE2-NH2 2.74Å; E69-R115 PolarHBondContact OE2-NH2 2.88Å; E69-R115 VanDerWaalsContact OE2-NH2 3.1Å; W107-R115 WeakPolarHBondContact CZ2-O 3.27Å; D109-R115 HydrophobicContact CB-CB 3.74Å; D109-R115 HydrophobicContact CB-CG 4.38Å; D109-R115 WeakPolarHBondContact O-CB 3.33Å; D109-R115 PolarHBondContact O-N 3.43Å; D109-R115 IonicContact OD2-CZ 2.77Å; D109-R115 IonicContact OD2-NE 2.82Å; D109-R115 PolarHBondContact OD2-NE 2.95Å; D109-R115 IonicContact OD2-NH2 3.78Å; D109-R115 PolarHBondContact OD2-NH2 2.82Å; I113-R115 VanDerWaalsContact C-N 3.26Å; I113-R115 HydrophobicContact CD1-CB 4.38Å; I113-R115 HydrophobicContact CG1-CB 4.12Å; I113-R115 PolarHBondContact O-N 3.03Å
116K98.2Very high97.3Very high133 Ų13357.6 Ų57.658%0.57831%0.307SS*.  trans-100158.8176.1-57.1-178.8-177.9-1800109.9V36 S37 W45 G114V36-K116 CarbonylContact C-O 3.44Å; V36-K116 WeakPolarHBondContact CA-O 3.05Å; V36-K116 WeakPolarHBondContact CB-O 3.44Å; S37-K116 PolarHBondContact N-O 3.04Å; S37-K116 PolarHBondContact OG-N 3Å; W45-K116 HydrophobicContact CH2-CB 4.17Å; W45-K116 HydrophobicContact CZ3-CB 4.41Å; G114-K116 PolarHBondContact O-N 3.34Å
117R98.4Very high97.4Very high58 Ų5861.5 Ų61.522%0.21931%0.313CS..EExtended strand (participates in β ladder)trans-136.3147169.873-172.2178.5-150.4-15.7109.3L34 L35 V36 A70 G71 T103 L104 W107L34-R117 HydrophobicContact CD1-CB 4.08Å; L34-R117 HydrophobicContact CD1-CG 4.14Å; L34-R117 HydrophobicContact CG-CB 4.34Å; L35-R117 CarbonylContact O-C 3.56Å; L35-R117 VanDerWaalsContact O-CA 3.22Å; L35-R117 WeakPolarHBondContact O-CA 3.26Å; V36-R117 HydrophobicContact CG1-CB 3.96Å; A70-R117 WeakPolarHBondContact O-CD 3.38Å; A70-R117 PolarHBondContact O-NH1 3.16Å; G71-R117 PolarHBondContact O-NH1 3.23Å; T103-R117 VanDerWaalsContact CG2-NH2 3.28Å; L104-R117 PolarHBondContact O-NH1 2.98Å; L104-R117 PolarHBondContact O-NH2 3.2Å; W107-R117 HydrophobicContact CH2-CB 4.45Å; W107-R117 HydrophobicContact CH2-CG 3.88Å; W107-R117 HydrophobicContact CZ2-CB 4.27Å; W107-R117 HydrophobicContact CZ2-CG 4.15Å; W107-R117 VanDerWaalsContact CZ3-CZ 3.48Å
118E98.6Very high97.4Very high103 Ų10362.4 Ų62.448%0.48132%0.322SS..EExtended strand (participates in β ladder)trans-153.1147-178.7-170.3166.4166.700110.4L35 W45 F120L35-E118 PolarHBondContact N-O 3.49Å; L35-E118 PolarHBondContact O-N 3.23Å; W45-E118 HydrophobicContact CH2-CB 3.51Å; W45-E118 WeakPolarHBondContact CH2-OE2 3.39Å; W45-E118 HydrophobicContact CZ2-CB 4.06Å; W45-E118 VanDerWaalsContact CZ2-OE2 3.26Å; W45-E118 WeakPolarHBondContact CZ2-OE2 3.2Å; W45-E118 HydrophobicContact CZ3-CB 3.91Å; E118-F120 HydrophobicContact CB-CE2 3.73Å; E118-F120 HydrophobicContact CB-CZ 4.1Å; E118-F120 HydrophobicContact CG-CE2 4.09Å; E118-F120 HydrophobicContact CG-CZ 4.13Å; E118-F120 WeakPolarHBondContact O-CD2 3.44Å
119W98.8Very high97.5Very high76 Ų7658.3 Ų58.329%0.28830%0.302SS..EExtended strand (participates in β ladder)trans-86.6133.1177.3-70.3106.8000109.6C24 K26 E32 L34 V100C24-W119 WeakPolarHBondContact O-CZ3 3.47Å; K26-W119 VanDerWaalsContact CA-CH2 3.43Å; K26-W119 HydrophobicContact CB-CD2 4.42Å; K26-W119 HydrophobicContact CB-CE3 3.92Å; K26-W119 HydrophobicContact CB-CH2 3.77Å; K26-W119 HydrophobicContact CB-CZ2 4.26Å; K26-W119 HydrophobicContact CB-CZ3 3.58Å; K26-W119 HydrophobicContact CD-CD2 4.45Å; K26-W119 HydrophobicContact CG-CD2 4.41Å; K26-W119 HydrophobicContact CG-CE3 4.4Å; K26-W119 HydrophobicContact CG-CH2 4.2Å; K26-W119 HydrophobicContact CG-CZ2 4.19Å; K26-W119 HydrophobicContact CG-CZ3 4.31Å; E32-W119 HydrophobicContact CB-CE3 4.36Å; L34-W119 HydrophobicContact CB-CD2 4.28Å; L34-W119 HydrophobicContact CB-CE3 3.85Å; L34-W119 HydrophobicContact CB-CH2 3.91Å; L34-W119 HydrophobicContact CB-CZ2 4.35Å; L34-W119 HydrophobicContact CB-CZ3 3.64Å; L34-W119 HydrophobicContact CD1-CD2 3.86Å; L34-W119 HydrophobicContact CD1-CE3 4.3Å; L34-W119 HydrophobicContact CD1-CG 4.18Å; L34-W119 HydrophobicContact CD1-CZ2 4.17Å; V100-W119 HydrophobicContact CB-CH2 4.09Å; V100-W119 HydrophobicContact CB-CZ2 4.5Å; V100-W119 HydrophobicContact CG1-CZ2 4.5Å; V100-W119 HydrophobicContact CG2-CH2 3.84Å; V100-W119 HydrophobicContact CG2-CZ2 4.49Å
120F98.7Very high97.4Very high21 Ų2162 Ų629%0.09232%0.32CS..EExtended strand (participates in β ladder)trans-127147.1176.8-66.7-89.5000109.3E32 V33 L35 W45 E118 E124 A125E32-F120 CarbonylContact C-O 3.52Å; E32-F120 VanDerWaalsContact CA-O 3.31Å; E32-F120 WeakPolarHBondContact CA-O 3.44Å; V33-F120 PolarHBondContact N-O 3.04Å; V33-F120 PolarHBondContact O-N 3.17Å; L35-F120 HydrophobicContact CB-CD2 3.84Å; L35-F120 HydrophobicContact CB-CE2 3.85Å; L35-F120 HydrophobicContact CD1-CD2 3.73Å; L35-F120 HydrophobicContact CD1-CE2 4.06Å; L35-F120 HydrophobicContact CD1-CG 4.24Å; L35-F120 HydrophobicContact CG-CD2 3.73Å; L35-F120 HydrophobicContact CG-CE2 4.19Å; W45-F120 AromaticContact CD1-CZ 3.88Å; W45-F120 AromaticContact CD2-CE2 3.89Å; W45-F120 HydrophobicContact CD2-CE2 3.89Å; W45-F120 AromaticContact CD2-CZ 3.8Å; W45-F120 HydrophobicContact CD2-CZ 3.8Å; W45-F120 AromaticContact CE2-CZ 3.6Å; W45-F120 HydrophobicContact CE3-CE2 4.08Å; W45-F120 HydrophobicContact CE3-CZ 4.4Å; W45-F120 HydrophobicContact CG-CE2 4.22Å; W45-F120 AromaticContact CG-CZ 3.99Å; W45-F120 HydrophobicContact CG-CZ 3.99Å; W45-F120 HydrophobicContact CZ2-CE2 4.48Å; W45-F120 HydrophobicContact CZ2-CZ 4.06Å; W45-F120 HydrophobicContact CZ3-CE2 4.47Å; W45-F120 AromaticContact NE1-CZ 3.63Å; E118-F120 HydrophobicContact CB-CE2 3.73Å; E118-F120 HydrophobicContact CB-CZ 4.1Å; E118-F120 HydrophobicContact CG-CE2 4.09Å; E118-F120 HydrophobicContact CG-CZ 4.13Å; E118-F120 WeakPolarHBondContact O-CD2 3.44Å; F120-E124 HydrophobicContact CB-CB 4.33Å; F120-E124 HydrophobicContact CD1-CB 4.18Å; F120-A125 HydrophobicContact CB-CB 3.88Å
121T98.4Very high97.1Very high61 Ų6164.4 Ų64.437%0.37434%0.336SS..EExtended strand (participates in β ladder)trans-62.1153.6160.463.40000109.7E31 D123 E124 A125E31-T121 WeakPolarHBondContact O-CA 3.49Å; T121-D123 PolarHBondContact O-N 2.84Å; T121-E124 WeakPolarHBondContact CB-OE2 3.49Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.16Å; T121-E124 PolarHBondContact N-OE2 3.17Å; T121-E124 PolarHBondContact O-N 3.1Å; T121-E124 VanDerWaalsContact O-N 3.12Å; T121-E124 WeakPolarHBondContact OG1-CB 3.43Å; T121-E124 WeakPolarHBondContact OG1-CG 3.4Å; T121-E124 PolarHBondContact OG1-N 2.95Å; T121-E124 PolarHBondContact OG1-OE2 3.06Å; T121-A125 WeakPolarHBondContact O-CB 2.92Å; T121-A125 PolarHBondContact O-N 2.73Å
122V97.9Very high96.8Very high14 Ų1464 Ų649%0.08533%0.327CS..Hα-helixtrans-52.2-40.5178.7169.80000112.3F25 E30 E31 A125 I126 L140 L143 Q144F25-V122 HydrophobicContact CE1-CG2 4.1Å; E30-V122 VanDerWaalsContact O-CG2 3.3Å; E30-V122 WeakPolarHBondContact O-CG2 3.28Å; E31-V122 PolarHBondContact O-N 3.09Å; E31-V122 VanDerWaalsContact O-N 3.09Å; V122-A125 PolarHBondContact O-N 2.71Å; V122-I126 HydrophobicContact CG1-CD1 3.96Å; V122-I126 VanDerWaalsContact O-CG1 3.31Å; V122-I126 WeakPolarHBondContact O-CG1 3.37Å; V122-I126 PolarHBondContact O-N 2.71Å; V122-L140 HydrophobicContact CG1-CB 4.28Å; V122-L140 HydrophobicContact CG1-CD2 4.27Å; V122-L140 HydrophobicContact CG2-CD2 4.37Å; V122-L143 HydrophobicContact CG2-CD2 4.48Å; V122-Q144 HydrophobicContact CG1-CG 4.15Å
123D97.2Very high96.8Very high90 Ų9060.8 Ų60.848%0.48131%0.308SS..Hα-helixtrans-71.9-34.7-179.4-72.9-17000113.3T121 K127 Q144T121-D123 PolarHBondContact O-N 2.84Å; D123-K127 WeakPolarHBondContact O-CD 3.23Å; D123-K127 VanDerWaalsContact O-CG 3.23Å; D123-K127 WeakPolarHBondContact O-CG 3.31Å; D123-K127 PolarHBondContact O-N 3.29Å; D123-Q144 PolarHBondContact OD1-NE2 2.99Å
124E98.1Very high96.7Very high93 Ų9360.7 Ų60.744%0.43531%0.312SS..Hα-helixtrans-69.5-43.4172.3-70.7164.4142.400111.3F120 T121 I126 K127 V128F120-E124 HydrophobicContact CB-CB 4.33Å; F120-E124 HydrophobicContact CD1-CB 4.18Å; T121-E124 WeakPolarHBondContact CB-OE2 3.49Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.16Å; T121-E124 PolarHBondContact N-OE2 3.17Å; T121-E124 PolarHBondContact O-N 3.1Å; T121-E124 VanDerWaalsContact O-N 3.12Å; T121-E124 WeakPolarHBondContact OG1-CB 3.43Å; T121-E124 WeakPolarHBondContact OG1-CG 3.4Å; T121-E124 PolarHBondContact OG1-N 2.95Å; T121-E124 PolarHBondContact OG1-OE2 3.06Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 2.95Å; E124-K127 WeakPolarHBondContact O-CB 3.42Å; E124-K127 PolarHBondContact O-N 3.27Å; E124-K127 VanDerWaalsContact O-N 3.09Å; E124-V128 PolarHBondContact O-N 3.13Å
125A98.4Very high96.7Very high0 Ų059.8 Ų59.80%030%0.296CS..Hα-helixtrans-57.4-45.2175.600000111.3V33 L35 F120 T121 V122 K127 V128 L129 L140V33-A125 HydrophobicContact CG1-CB 3.49Å; V33-A125 VanDerWaalsContact CG1-CB 3.49Å; L35-A125 HydrophobicContact CD1-CB 3.95Å; L35-A125 HydrophobicContact CG-CB 4.45Å; F120-A125 HydrophobicContact CB-CB 3.88Å; T121-A125 WeakPolarHBondContact O-CB 2.92Å; T121-A125 PolarHBondContact O-N 2.73Å; V122-A125 PolarHBondContact O-N 2.71Å; A125-K127 PolarHBondContact O-N 3.01Å; A125-V128 WeakPolarHBondContact O-CG2 3.36Å; A125-L129 VanDerWaalsContact O-CB 3.26Å; A125-L129 WeakPolarHBondContact O-CB 3.3Å; A125-L129 WeakPolarHBondContact O-CD1 3.25Å; A125-L129 WeakPolarHBondContact O-CG 3.46Å; A125-L129 PolarHBondContact O-N 3.05Å; A125-L140 HydrophobicContact CB-CD1 3.5Å
126I98.2Very high96.7Very high13 Ų1360.3 Ų60.37%0.06730%0.298CS..Hα-helixtrans-57.6-48173.3-72.2164.8000110.8V122 E124 L129 Q130 A137 L140 R141V122-I126 HydrophobicContact CG1-CD1 3.96Å; V122-I126 VanDerWaalsContact O-CG1 3.31Å; V122-I126 WeakPolarHBondContact O-CG1 3.37Å; V122-I126 PolarHBondContact O-N 2.71Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 2.95Å; I126-L129 PolarHBondContact O-N 3Å; I126-Q130 VanDerWaalsContact O-CB 3.29Å; I126-Q130 WeakPolarHBondContact O-CB 3.47Å; I126-Q130 PolarHBondContact O-N 3.44Å; I126-A137 HydrophobicContact CG2-CB 4.5Å; I126-L140 HydrophobicContact CD1-CB 3.92Å; I126-L140 HydrophobicContact CG1-CB 3.55Å; I126-L140 HydrophobicContact CG1-CD1 4.05Å; I126-L140 HydrophobicContact CG1-CG 4.47Å; I126-R141 HydrophobicContact CD1-CG 4.18Å
127K97.5Very high96.6Very high146 Ų14654 Ų5464%0.63527%0.271SS*.Hα-helixtrans-59.6-49-179-70.3161.8-165.3164.20112.3D123 E124 A125D123-K127 WeakPolarHBondContact O-CD 3.23Å; D123-K127 VanDerWaalsContact O-CG 3.23Å; D123-K127 WeakPolarHBondContact O-CG 3.31Å; D123-K127 PolarHBondContact O-N 3.29Å; E124-K127 WeakPolarHBondContact O-CB 3.42Å; E124-K127 PolarHBondContact O-N 3.27Å; E124-K127 VanDerWaalsContact O-N 3.09Å; A125-K127 PolarHBondContact O-N 3.01Å
128V97.6Very high96.5Very high48 Ų4854.1 Ų54.129%0.29127%0.274SS..Hα-helixtrans-72.9-27-177.5-56.90000113.1L35 W45 E124 A125L35-V128 HydrophobicContact CD1-CG2 3.79Å; W45-V128 HydrophobicContact CB-CG2 4.08Å; W45-V128 HydrophobicContact CG-CG2 4.41Å; E124-V128 PolarHBondContact O-N 3.13Å; A125-V128 WeakPolarHBondContact O-CG2 3.36Å
129L97.4Very high96.4Very high0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-80.3-33176.3-68.7168.8000112.6L35 W45 V47 A125 I126 S131 H132 K133 H136 A137 L140L35-L129 HydrophobicContact CD1-CD1 4.14Å; L35-L129 HydrophobicContact CD1-CD2 4.29Å; L35-L129 HydrophobicContact CD1-CG 4.07Å; L35-L129 HydrophobicContact CD2-CD1 4.09Å; W45-L129 WeakPolarHBondContact O-CD2 3.24Å; V47-L129 HydrophobicContact CG2-CD1 4.03Å; A125-L129 VanDerWaalsContact O-CB 3.26Å; A125-L129 WeakPolarHBondContact O-CB 3.3Å; A125-L129 WeakPolarHBondContact O-CD1 3.25Å; A125-L129 WeakPolarHBondContact O-CG 3.46Å; A125-L129 PolarHBondContact O-N 3.05Å; I126-L129 PolarHBondContact O-N 3Å; L129-S131 VanDerWaalsContact C-N 3.28Å; L129-S131 PolarHBondContact O-N 3Å; L129-H132 PolarHBondContact O-N 3.12Å; L129-K133 HydrophobicContact CD2-CB 4.21Å; L129-K133 CarbonylContact O-C 3.06Å; L129-K133 WeakPolarHBondContact O-CA 3.2Å; L129-K133 PolarHBondContact O-N 3.01Å; L129-H136 HydrophobicContact CD1-CB 4.05Å; L129-H136 HydrophobicContact CD2-CB 3.95Å; L129-H136 HydrophobicContact CG-CB 4.42Å; L129-A137 HydrophobicContact CB-CB 3.91Å; L129-L140 HydrophobicContact CD1-CD1 3.72Å
130Q95.7Very high96.4Very high80 Ų8045.7 Ų45.737%0.37424%0.238SC..Hα-helixtrans-57.2-35.6-170.8-17564.869.700114.1I126I126-Q130 VanDerWaalsContact O-CB 3.29Å; I126-Q130 WeakPolarHBondContact O-CB 3.47Å; I126-Q130 PolarHBondContact O-N 3.44Å
131S89.3Confident96.2Very high78 Ų7849.7 Ų49.755%0.54525%0.252SS..THydrogen-bonded Turntrans-74.3-30.8-176.557.30000114.2L129L129-S131 VanDerWaalsContact C-N 3.28Å; L129-S131 PolarHBondContact O-N 3Å
132H91.4Very high95.9Very high95 Ų9552.1 Ų52.144%0.4426%0.255SS..THydrogen-bonded Turntrans-132.9-14.9-168-56.8-42.7000114.7Q44 L129Q44-H132 VanDerWaalsContact CD-CD2 3.46Å; Q44-H132 PolarHBondContact NE2-CD2 3.13Å; L129-H132 PolarHBondContact O-N 3.12Å
133K94.1Very high95.5Very high44 Ų4451.7 Ų51.719%0.19125%0.252CS..  trans-14360.9175.1-55.5-63.2162.9-58.90110.2I46 L129 V135 H136 A137I46-K133 HydrophobicContact CG2-CD 4.17Å; I46-K133 HydrophobicContact CG2-CG 3.86Å; L129-K133 HydrophobicContact CD2-CB 4.21Å; L129-K133 CarbonylContact O-C 3.06Å; L129-K133 WeakPolarHBondContact O-CA 3.2Å; L129-K133 PolarHBondContact O-N 3.01Å; K133-V135 PolarHBondContact O-N 3.32Å; K133-V135 VanDerWaalsContact O-N 3.1Å; K133-H136 HydrophobicContact CB-CB 3.88Å; K133-H136 WeakPolarHBondContact O-CA 3.45Å; K133-H136 WeakPolarHBondContact O-CB 3.4Å; K133-H136 PolarHBondContact O-N 2.55Å; K133-A137 PolarHBondContact O-N 3.21Å
134P94.4Very high94.9Very high65 Ų6551 Ų5142%0.42225%0.246SC..Hα-helixtrans-56.1-32.4-176.722.3-34.3000113.7H136 A137 E138P134-H136 VanDerWaalsContact C-N 3.33Å; P134-H136 PolarHBondContact O-N 3.18Å; P134-A137 WeakPolarHBondContact O-CB 3.45Å; P134-A137 PolarHBondContact O-N 3.38Å; P134-E138 PolarHBondContact O-N 3.31Å
135V94.8Very high94Very high32 Ų3252.4 Ų52.419%0.19426%0.256CS..Hα-helixtrans-63.2-36.1173.8178.60000112.2Q85 K133 E138 Y139Q85-V135 HydrophobicContact CB-CG2 4.3Å; Q85-V135 HydrophobicContact CG-CG2 4.08Å; K133-V135 PolarHBondContact O-N 3.32Å; K133-V135 VanDerWaalsContact O-N 3.1Å; V135-E138 PolarHBondContact O-N 2.82Å; V135-Y139 HydrophobicContact CG1-CE1 3.71Å; V135-Y139 WeakPolarHBondContact O-CD1 3.48Å; V135-Y139 WeakPolarHBondContact O-CE1 3.47Å; V135-Y139 PolarHBondContact O-N 2.81Å
136H97.1Very high92.6Very high16 Ų1655.6 Ų55.67%0.07428%0.278CS..Hα-helixtrans-71.7-32.9175-66.7-169.7000111.9V47 L129 K133 P134 E138 Y139V47-H136 HydrophobicContact CB-CB 4.41Å; V47-H136 HydrophobicContact CG2-CB 3.96Å; V47-H136 PolarHBondContact N-ND1 3.01Å; L129-H136 HydrophobicContact CD1-CB 4.05Å; L129-H136 HydrophobicContact CD2-CB 3.95Å; L129-H136 HydrophobicContact CG-CB 4.42Å; K133-H136 HydrophobicContact CB-CB 3.88Å; K133-H136 WeakPolarHBondContact O-CA 3.45Å; K133-H136 WeakPolarHBondContact O-CB 3.4Å; K133-H136 PolarHBondContact O-N 2.55Å; P134-H136 VanDerWaalsContact C-N 3.33Å; P134-H136 PolarHBondContact O-N 3.18Å; H136-E138 VanDerWaalsContact C-N 3.31Å; H136-Y139 HydrophobicContact CB-CD2 4.43Å; H136-Y139 HydrophobicContact CB-CE2 4.36Å; H136-Y139 AromaticContact CD2-CE2 3.62Å; H136-Y139 AromaticContact CD2-CZ 3.74Å; H136-Y139 WeakPolarHBondContact O-CB 2.97Å; H136-Y139 PolarHBondContact O-N 2.98Å
137A97.1Very high90.8Very high0 Ų058.8 Ų58.80%030%0.3CS..Hα-helixtrans-65.5-35.6172.200000111.6I126 L129 K133 P134 Y139 L140 R141I126-A137 HydrophobicContact CG2-CB 4.5Å; L129-A137 HydrophobicContact CB-CB 3.91Å; K133-A137 PolarHBondContact O-N 3.21Å; P134-A137 WeakPolarHBondContact O-CB 3.45Å; P134-A137 PolarHBondContact O-N 3.38Å; A137-Y139 VanDerWaalsContact C-N 3.27Å; A137-Y139 PolarHBondContact O-N 2.85Å; A137-L140 PolarHBondContact O-N 3.18Å; A137-L140 VanDerWaalsContact O-N 3.17Å; A137-R141 WeakPolarHBondContact O-CG 3.27Å; A137-R141 PolarHBondContact O-N 3.15Å
138E96.2Very high88.6Confident62 Ų6255.1 Ų55.129%0.2929%0.293SS..Hα-helixtrans-63.6-28.9174.517654.4-158.700113F83 P134 V135 H136 L140 R141 R142F83-E138 HydrophobicContact CD1-CG 4.3Å; F83-E138 HydrophobicContact CE1-CG 4.12Å; P134-E138 PolarHBondContact O-N 3.31Å; V135-E138 PolarHBondContact O-N 2.82Å; H136-E138 VanDerWaalsContact C-N 3.31Å; E138-L140 VanDerWaalsContact C-N 3.31Å; E138-L140 PolarHBondContact O-N 3.38Å; E138-R141 PolarHBondContact O-N 3.24Å; E138-R142 WeakPolarHBondContact O-CB 3.4Å; E138-R142 PolarHBondContact O-N 2.7Å; E138-R142 IonicContact OE1-CZ 3.96Å; E138-R142 IonicContact OE1-NE 2.66Å; E138-R142 PolarHBondContact OE1-NE 3.47Å; E138-R142 IonicContact OE1-NH2 2.7Å; E138-R142 PolarHBondContact OE1-NH2 3.08Å
139Y97.3Very high86Confident2 Ų258.8 Ų58.81%0.00832%0.318CS..Hα-helixtrans-58.8-46.3172.2-53.7-12.8000110.5L23 V47 L80 F83 V95 V135 H136 A137 R142 L143L23-Y139 HydrophobicContact CD2-CD2 4.41Å; V47-Y139 HydrophobicContact CB-CD2 4.45Å; V47-Y139 HydrophobicContact CG1-CD2 4.27Å; V47-Y139 HydrophobicContact CG1-CE2 4.44Å; V47-Y139 HydrophobicContact CG2-CD2 4.25Å; L80-Y139 WeakPolarHBondContact CD2-O 3.28Å; F83-Y139 HydrophobicContact CB-CD1 4.14Å; F83-Y139 HydrophobicContact CB-CE1 3.48Å; F83-Y139 VanDerWaalsContact CB-CE1 3.48Å; F83-Y139 AromaticContact CD1-CD1 3.57Å; F83-Y139 HydrophobicContact CD1-CD1 3.57Å; F83-Y139 AromaticContact CD1-CE1 3.81Å; F83-Y139 HydrophobicContact CD1-CE1 3.81Å; F83-Y139 AromaticContact CD2-CD1 3.76Å; F83-Y139 HydrophobicContact CD2-CD1 3.76Å; F83-Y139 AromaticContact CD2-CE1 3.84Å; F83-Y139 HydrophobicContact CD2-CE1 3.84Å; F83-Y139 AromaticContact CE1-CD1 3.78Å; F83-Y139 HydrophobicContact CE1-CD1 3.78Å; F83-Y139 HydrophobicContact CE1-CE1 4.46Å; F83-Y139 AromaticContact CE2-CD1 3.97Å; F83-Y139 HydrophobicContact CE2-CD1 3.97Å; F83-Y139 HydrophobicContact CE2-CE1 4.5Å; F83-Y139 AromaticContact CG-CD1 3.55Å; F83-Y139 HydrophobicContact CG-CD1 3.55Å; F83-Y139 AromaticContact CG-CE1 3.44Å; F83-Y139 HydrophobicContact CG-CE1 3.44Å; F83-Y139 VanDerWaalsContact CG-CE1 3.44Å; F83-Y139 AromaticContact CZ-CD1 3.96Å; F83-Y139 HydrophobicContact CZ-CD1 3.96Å; V95-Y139 HydrophobicContact CG1-CD2 3.99Å; V95-Y139 HydrophobicContact CG1-CG 4.15Å; V95-Y139 HydrophobicContact CG2-CD1 3.98Å; V95-Y139 HydrophobicContact CG2-CD2 3.81Å; V95-Y139 HydrophobicContact CG2-CE1 3.82Å; V95-Y139 HydrophobicContact CG2-CE2 3.63Å; V95-Y139 HydrophobicContact CG2-CG 4Å; V135-Y139 HydrophobicContact CG1-CE1 3.71Å; V135-Y139 WeakPolarHBondContact O-CD1 3.48Å; V135-Y139 WeakPolarHBondContact O-CE1 3.47Å; V135-Y139 PolarHBondContact O-N 2.81Å; H136-Y139 HydrophobicContact CB-CD2 4.43Å; H136-Y139 HydrophobicContact CB-CE2 4.36Å; H136-Y139 AromaticContact CD2-CE2 3.62Å; H136-Y139 AromaticContact CD2-CZ 3.74Å; H136-Y139 WeakPolarHBondContact O-CB 2.97Å; H136-Y139 PolarHBondContact O-N 2.98Å; A137-Y139 VanDerWaalsContact C-N 3.27Å; A137-Y139 PolarHBondContact O-N 2.85Å; Y139-R142 PolarHBondContact O-N 3.33Å; Y139-L143 PolarHBondContact O-N 3.33Å; Y139-L143 VanDerWaalsContact O-N 3.17Å
140L96.8Very high83.4Confident0 Ų065.2 Ų65.20%036%0.358CS..Hα-helixtrans-72.3-36.1-179.4-69.1163000112.5L23 V33 V122 A125 I126 L129 A137 E138 R142 L143 Q144L23-L140 HydrophobicContact CD1-CD2 4.01Å; L23-L140 HydrophobicContact CD1-CG 4.5Å; L23-L140 HydrophobicContact CD2-CD2 4.06Å; L23-L140 HydrophobicContact CD2-CG 4.24Å; V33-L140 HydrophobicContact CB-CD2 4.41Å; V33-L140 HydrophobicContact CG1-CD1 4.49Å; V33-L140 HydrophobicContact CG1-CD2 4.04Å; V33-L140 HydrophobicContact CG2-CD2 4.37Å; V122-L140 HydrophobicContact CG1-CB 4.28Å; V122-L140 HydrophobicContact CG1-CD2 4.27Å; V122-L140 HydrophobicContact CG2-CD2 4.37Å; A125-L140 HydrophobicContact CB-CD1 3.5Å; I126-L140 HydrophobicContact CD1-CB 3.92Å; I126-L140 HydrophobicContact CG1-CB 3.55Å; I126-L140 HydrophobicContact CG1-CD1 4.05Å; I126-L140 HydrophobicContact CG1-CG 4.47Å; L129-L140 HydrophobicContact CD1-CD1 3.72Å; A137-L140 PolarHBondContact O-N 3.18Å; A137-L140 VanDerWaalsContact O-N 3.17Å; E138-L140 VanDerWaalsContact C-N 3.31Å; E138-L140 PolarHBondContact O-N 3.38Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 3.3Å; L140-L143 VanDerWaalsContact O-CB 3.27Å; L140-L143 WeakPolarHBondContact O-CB 3.47Å; L140-L143 PolarHBondContact O-N 2.93Å; L140-Q144 PolarHBondContact O-N 2.71Å
141R95.5Very high80.7Confident104 Ų10469.4 Ų69.439%0.39238%0.383SS..Hα-helixtrans-62.4-39.9171.3-66.5178.6-172.6-82.43.9111.5I126 A137 E138 L143 Q144 L145I126-R141 HydrophobicContact CD1-CG 4.18Å; A137-R141 WeakPolarHBondContact O-CG 3.27Å; A137-R141 PolarHBondContact O-N 3.15Å; E138-R141 PolarHBondContact O-N 3.24Å; R141-L143 VanDerWaalsContact C-N 3.29Å; R141-L143 PolarHBondContact O-N 2.74Å; R141-Q144 PolarHBondContact O-N 3.1Å; R141-L145 PolarHBondContact O-N 2.75Å
142R93.1Very high78.6Confident112 Ų11268.9 Ų68.942%0.42339%0.39SS..Hα-helixtrans-62.8-36.7176.2-167.759.855.498.17.6112.5L80 F83 E138 Y139 L140 L145 S146L80-R142 HydrophobicContact CD1-CG 4.31Å; L80-R142 HydrophobicContact CG-CG 4.43Å; F83-R142 HydrophobicContact CE1-CB 4.21Å; F83-R142 HydrophobicContact CE1-CG 4.47Å; F83-R142 HydrophobicContact CZ-CB 3.97Å; F83-R142 HydrophobicContact CZ-CG 4.06Å; E138-R142 WeakPolarHBondContact O-CB 3.4Å; E138-R142 PolarHBondContact O-N 2.7Å; E138-R142 IonicContact OE1-CZ 3.96Å; E138-R142 IonicContact OE1-NE 2.66Å; E138-R142 PolarHBondContact OE1-NE 3.47Å; E138-R142 IonicContact OE1-NH2 2.7Å; E138-R142 PolarHBondContact OE1-NH2 3.08Å; Y139-R142 PolarHBondContact O-N 3.33Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 3.3Å; R142-L145 PolarHBondContact O-N 3.39Å; R142-S146 PolarHBondContact O-N 2.87Å; R142-S146 VanDerWaalsContact O-N 3.16Å
143L89.1Confident76.3Confident6 Ų672 Ų723%0.03141%0.409CS..Hα-helixtrans-58.3-51.3173.9-165.693.5000111.4L23 F25 E30 L80 V97 V122 Y139 L140 R141 L145 S146 C147L23-L143 HydrophobicContact CD1-CD1 4.18Å; F25-L143 HydrophobicContact CE1-CD2 3.93Å; F25-L143 HydrophobicContact CE2-CD1 4Å; F25-L143 HydrophobicContact CE2-CD2 4.3Å; F25-L143 HydrophobicContact CZ-CD1 3.87Å; F25-L143 HydrophobicContact CZ-CD2 3.43Å; F25-L143 VanDerWaalsContact CZ-CD2 3.43Å; F25-L143 HydrophobicContact CZ-CG 4.28Å; E30-L143 HydrophobicContact CB-CD2 4.22Å; E30-L143 WeakPolarHBondContact OE2-CD1 3.43Å; L80-L143 HydrophobicContact CD1-CD1 4.29Å; L80-L143 HydrophobicContact CD2-CD1 4.35Å; V97-L143 HydrophobicContact CG2-CD1 4.12Å; V122-L143 HydrophobicContact CG2-CD2 4.48Å; Y139-L143 PolarHBondContact O-N 3.33Å; Y139-L143 VanDerWaalsContact O-N 3.17Å; L140-L143 VanDerWaalsContact O-CB 3.27Å; L140-L143 WeakPolarHBondContact O-CB 3.47Å; L140-L143 PolarHBondContact O-N 2.93Å; R141-L143 VanDerWaalsContact C-N 3.29Å; R141-L143 PolarHBondContact O-N 2.74Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 PolarHBondContact O-N 2.82Å; L143-S146 WeakPolarHBondContact O-CA 3.31Å; L143-S146 WeakPolarHBondContact O-CB 3.08Å; L143-S146 PolarHBondContact O-N 2.78Å; L143-S146 PolarHBondContact O-OG 3.21Å; L143-C147 PolarHBondContact O-N 3.41Å; L143-C147 VanDerWaalsContact O-N 3.15Å
144Q83.8Confident73.5Confident74 Ų7475.2 Ų75.235%0.34644%0.438SS..Hα-helixtrans-59.2-37.3-179.2-69.2176.6-37.900112.5V122 D123 L140 R141 S146 C147 S148V122-Q144 HydrophobicContact CG1-CG 4.15Å; D123-Q144 PolarHBondContact OD1-NE2 2.99Å; L140-Q144 PolarHBondContact O-N 2.71Å; R141-Q144 PolarHBondContact O-N 3.1Å; Q144-S146 VanDerWaalsContact C-N 3.34Å; Q144-C147 PolarHBondContact O-N 3.03Å; Q144-S148 PolarHBondContact O-N 2.73Å; Q144-S148 PolarHBondContact O-OG 2.88Å
145L78.8Confident70.8Confident124 Ų12479.6 Ų79.665%0.64946%0.456SS*.Hα-helixtrans-67.3-32173.3-65.8173.7000112.9R141 R142 L143R141-L145 PolarHBondContact O-N 2.75Å; R142-L145 PolarHBondContact O-N 3.39Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 PolarHBondContact O-N 2.82Å
146S70.1Confident68Low66 Ų6685.6 Ų85.646%0.46249%0.486SS..Hα-helixtrans-77.9-20.9178.573.40000114.6R142 L143 Q144R142-S146 PolarHBondContact O-N 2.87Å; R142-S146 VanDerWaalsContact O-N 3.16Å; L143-S146 WeakPolarHBondContact O-CA 3.31Å; L143-S146 WeakPolarHBondContact O-CB 3.08Å; L143-S146 PolarHBondContact O-N 2.78Å; L143-S146 PolarHBondContact O-OG 3.21Å; Q144-S146 VanDerWaalsContact C-N 3.34Å
147C59.6Low65.2Low80 Ų8090.3 Ų90.354%0.54152%0.518SS..Hα-helixtrans-101-3.1-179.2-630000113.6L143 Q144L143-C147 PolarHBondContact O-N 3.41Å; L143-C147 VanDerWaalsContact O-N 3.15Å; Q144-C147 PolarHBondContact O-N 3.03Å
148S51.6Low62.6Low69 Ų6995.3 Ų95.348%0.48355%0.553SS.*SBendtrans-75.5122.7175.6-67.10000110.3Q144 T150Q144-S148 PolarHBondContact O-N 2.73Å; Q144-S148 PolarHBondContact O-OG 2.88Å; S148-T150 PolarHBondContact O-N 3.06Å; S148-T150 VanDerWaalsContact O-N 3.08Å
149P42.4Very low59.9Low126 Ų12697.7 Ų97.782%0.81857%0.574SS**  trans-66.3112174.326.4-32.1000109.3N151P149-N151 PolarHBondContact O-N 3.35Å
150T44.1Very low57.4Low135 Ų135102.7 Ų102.783%0.82861%0.607SS**  trans-68.1100.5-178.629.50000111.6S148 G152S148-T150 PolarHBondContact O-N 3.06Å; S148-T150 VanDerWaalsContact O-N 3.08Å; T150-G152 PolarHBondContact O-N 2.85Å; T150-G152 VanDerWaalsContact O-N 3.17Å
151N39.4Very low54.6Low168 Ų168108.5 Ų108.590%0.89864%0.644SS**  trans-66.6105.8156.9-93.4-29000109.5P149P149-N151 PolarHBondContact O-N 3.35Å
152G44.8Very low51.9Low67 Ų67110.8 Ų110.869%0.69166%0.664SS**SBendtrans67122.8148.900000119.5T150T150-G152 PolarHBondContact O-N 2.85Å; T150-G152 VanDerWaalsContact O-N 3.17Å
153N42Very low49.7Very low160 Ų160112.3 Ų112.386%0.85668%0.681SS**  trans61.384.5158.5-68.1-6.8000118.6
154S35.4Very low47.4Very low112 Ų112119.1 Ų119.178%0.78372%0.717SS**  trans-118.6105.1139.6390000109.2L156S154-L156 PolarHBondContact O-N 3.45Å; S154-L156 VanDerWaalsContact O-N 3.13Å
155I38.8Very low45.1Very low156 Ų156126.2 Ų126.280%0.874%0.742SS**  trans-66.7109.9176.7-64.3169000107.9P157I155-P157 WeakPolarHBondContact O-CD 3.33Å
156L36.3Very low43.1Very low158 Ų158125.3 Ų125.383%0.82774%0.744SS**PPolyproline II helixtrans-68.2123.2159-69.6173.3000107.6S154 S158S154-L156 PolarHBondContact O-N 3.45Å; S154-L156 VanDerWaalsContact O-N 3.13Å; L156-S158 PolarHBondContact O-N 2.98Å
157P37.5Very low41.4Very low115 Ų115131.2 Ų131.275%0.74776%0.764SS**PPolyproline II helixtrans-64123.7169.326.5-31.8000108.5I155I155-P157 WeakPolarHBondContact O-CD 3.33Å
158S41.5Very low40.4Very low105 Ų105137.9 Ų137.973%0.73478%0.779SS**PPolyproline II helixtrans-61.8142.5173.448.40000110.1L156L156-S158 PolarHBondContact O-N 2.98Å
159P41.1Very low39.6Very low112 Ų112137.7 Ų137.773%0.72779%0.788SS**PPolyproline II helixtrans-60146.9173.327.3-34.2000109.9
160P44.5Very low39.1Very low108 Ų108138.4 Ų138.470%0.70179%0.79SS**PPolyproline II helixtrans-63.7146.7177.427.7-34.5000110.6N162P160-N162 PolarHBondContact O-N 3.18Å
161P37.3Very low38.8Very low121 Ų121138.6 Ų138.679%0.78679%0.792SS**  trans-68.4108173.729-32.4000108.5D163P161-D163 PolarHBondContact O-N 3.48Å
162N38.5Very low38.7Very low152 Ų152137 Ų13781%0.81379%0.788SS**  trans-97.384177.5-153.828.4000109.2P160 N164P160-N162 PolarHBondContact O-N 3.18Å; N162-N164 PolarHBondContact O-N 2.96Å
163D46.3Very low38.1Very low145 Ų145137.8 Ų137.878%0.77580%0.796SS**  trans-63.694.3168.6-77.5-44.2000109.5P161P161-D163 PolarHBondContact O-N 3.48Å
164N42.8Very low38Very low148 Ų148134.7 Ų134.779%0.79179%0.793SS**  trans-174.891.5151.6-97.1-47.9000111N162N162-N164 PolarHBondContact O-N 2.96Å
165Y34.5Very low38.6Very low223 Ų223135.2 Ų135.288%0.87579%0.794SS**  trans-129.9126.3155.1-119.6-90.8000108.3H167Y165-H167 PolarHBondContact O-N 3.23Å
166P36.8Very low38.4Very low106 Ų106132.1 Ų132.169%0.68879%0.786SS**  trans-70.1124.4-176.426.7-33.1000111.1Y168P166-Y168 PolarHBondContact O-N 3.43Å
167H35.3Very low38.5Very low189 Ų189131.3 Ų131.388%0.87579%0.788SS**  trans-62.2113.1171.3-104.3-75.5000110.7Y165 G169Y165-H167 PolarHBondContact O-N 3.23Å; H167-G169 PolarHBondContact O-N 3.2Å
168Y36.8Very low38.3Very low220 Ų220129.8 Ų129.886%0.86379%0.792SS**  trans-78.5110.6154.8-87.5-85.3000108.3P166P166-Y168 PolarHBondContact O-N 3.43Å
169G34.6Very low38.2Very low66 Ų66129.5 Ų129.568%0.6880%0.797SS**  trans-71.8132.9-176.800000112.8H167 T171H167-G169 PolarHBondContact O-N 3.2Å; G169-T171 PolarHBondContact O-N 3.45Å
170T33.5Very low38.3Very low140 Ų140131 Ų13186%0.85980%0.803SS**  trans-85.9102.4171.6-38.70000109.4
171T36.2Very low38.1Very low139 Ų139133.8 Ų133.885%0.85381%0.812SS**  trans-79.9123.4175-53.50000110.4G169G169-T171 PolarHBondContact O-N 3.45Å
172T38.3Very low37.8Very low135 Ų135131.2 Ų131.283%0.82881%0.807SS**  trans-73.3143.2176.846.70000112.7
173G32.7Very low37.9Very low83 Ų83130 Ų13086%0.85681%0.81SS**  trans-164.588.7174.200000113.6
174A38.8Very low37.6Very low95 Ų95128.3 Ų128.379%0.78581%0.81SS**  trans-114.1169.4159.300000107.2
175P47.6Very low37.5Very low124 Ų124126.9 Ų126.981%0.80581%0.81SS**  cis-118.4-149.91642.1-24.2000111.2
176S34.8Very low38.1Very low91 Ų91131.3 Ų131.364%0.63683%0.825SS**  cis-160.6160.27.342.10000113.5
177T40.3Very low38.1Very low141 Ų141132.6 Ų132.687%0.86583%0.832SS**  trans57.8125.1147.250.50000121.4
178G32.9Very low38.3Very low82 Ų82129.6 Ų129.685%0.84583%0.83SS**  trans170.473.5164.200000113.3
179A38.7Very low38.4Very low100 Ų100124.6 Ų124.683%0.82683%0.828SS**  trans-80.1147.6171.700000110.9
180V43.7Very low38.6Very low143 Ų143128.1 Ų128.187%0.86784%0.837SS**  trans-158.5140.3138.3148.10000109.9
181L39Very low38.9Very low167 Ų167127.3 Ų127.387%0.87484%0.836SS**  trans-50.3162174.8-58.3142.3000115.3
182G32.6Very low39.1Very low66 Ų66126.5 Ų126.568%0.6883%0.834SS**  trans15894.6142.300000119.4
183S40Very low39.1Very low126 Ų126125.9 Ų125.988%0.88184%0.835SS**  trans66.9106.1134.3-53.10000121.3
184S40.6Very low39.6Very low111 Ų111129.2 Ų129.278%0.77683%0.833SS**  trans-42.5146.9148.4173.90000114.4
185C40.8Very low39.7Very low118 Ų118132.1 Ų132.180%0.79784%0.837SS**  trans-164.8116.4138.8-113.60000113.2
186R45.6Very low39Very low316 Ų316132.8 Ų132.8100%1.19284%0.84SS**  trans70.40163.2-62.7-178.4-179.4-101.8-1.7118.7

Retrieved 186 of 186 residues in 73 ms (Link to these results)

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