A0A087YSN2_POEFO Loading...

Transducer of ERBB2, 2

AlphaFold DB , UniProt , Accession A0A087YSN2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 398 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
1A68.7Low95Very high80 Ų8040.6 Ų40.666%0.66125%0.247SC*.  0123.2000000108.1E3 V4 W43A1-E3 VanDerWaalsContact C-N 3.27Å; A1-E3 WeakPolarHBondContact CA-OE2 3.31Å; A1-E3 WeakPolarHBondContact CB-OE2 3.37Å; A1-V4 HydrophobicContact CB-CB 4.44Å; A1-V4 HydrophobicContact CB-CG2 3.86Å; A1-W43 HydrophobicContact CB-CH2 4.37Å; A1-W43 HydrophobicContact CB-CZ2 4.18Å
2G93Very high95.3Very high44 Ų4437.6 Ų37.645%0.45423%0.229SC..Hα-helixtrans-70.6-29.7173.300000111.6V4 K5 V6G2-V4 VanDerWaalsContact C-N 3.32Å; G2-V4 PolarHBondContact O-N 3.36Å; G2-K5 WeakPolarHBondContact O-CA 3.27Å; G2-K5 WeakPolarHBondContact O-CB 3.42Å; G2-K5 PolarHBondContact O-N 3.46Å; G2-V6 PolarHBondContact O-N 3.02Å
3E98Very high95.5Very high19 Ų1939 Ų399%0.08924%0.241CC..Hα-helixtrans-52.2-47.1175.4-54.595.2139.700111.4A1 K5 V6 A7 W43 I93 Y96 V98 Y112A1-E3 VanDerWaalsContact C-N 3.27Å; A1-E3 WeakPolarHBondContact CA-OE2 3.31Å; A1-E3 WeakPolarHBondContact CB-OE2 3.37Å; E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 3.29Å; E3-V6 PolarHBondContact O-N 3.25Å; E3-V6 VanDerWaalsContact O-N 3.16Å; E3-A7 PolarHBondContact O-N 3.4Å; E3-W43 HydrophobicContact CB-CH2 4.18Å; E3-W43 HydrophobicContact CG-CH2 4.36Å; E3-W43 HydrophobicContact CG-CZ2 4.4Å; E3-W43 WeakPolarHBondContact OE1-CZ2 3.38Å; E3-I93 HydrophobicContact CB-CG2 3.98Å; E3-Y96 PolarHBondContact OE1-N 3.39Å; E3-V98 HydrophobicContact CB-CG2 3.63Å; E3-V98 HydrophobicContact CG-CG2 4.37Å; E3-V98 WeakPolarHBondContact O-CG2 3.49Å; E3-Y112 HydrophobicContact CG-CD1 4.05Å; E3-Y112 HydrophobicContact CG-CE1 3.89Å
4V98.1Very high95.6Very high2 Ų241 Ų411%0.01224%0.243CC..Hα-helixtrans-59.1-42.5175.5176.60000111.2A1 G2 V6 A7 L8 E32 L35 V36 F39 I93A1-V4 HydrophobicContact CB-CB 4.44Å; A1-V4 HydrophobicContact CB-CG2 3.86Å; G2-V4 VanDerWaalsContact C-N 3.32Å; G2-V4 PolarHBondContact O-N 3.36Å; V4-V6 PolarHBondContact O-N 3.09Å; V4-A7 PolarHBondContact O-N 2.97Å; V4-L8 HydrophobicContact CG1-CD1 3.76Å; V4-L8 HydrophobicContact CG1-CG 4.32Å; V4-L8 WeakPolarHBondContact O-CB 3.41Å; V4-L8 WeakPolarHBondContact O-CD1 2.91Å; V4-L8 WeakPolarHBondContact O-CG 3.16Å; V4-L8 PolarHBondContact O-N 3.44Å; V4-E32 HydrophobicContact CG1-CG 4.14Å; V4-L35 HydrophobicContact CG1-CB 4.47Å; V4-L35 HydrophobicContact CG1-CD1 4.49Å; V4-V36 HydrophobicContact CG1-CG2 4.4Å; V4-F39 HydrophobicContact CG2-CD2 4.32Å; V4-F39 HydrophobicContact CG2-CE2 4.23Å; V4-I93 HydrophobicContact CG2-CG2 4.08Å
5K97.9Very high95.7Very high113 Ų11338.3 Ų38.349%0.49123%0.227SC..Hα-helixtrans-65-37.4177.2-67.3-66.8-155-174.80112.3G2 E3 N9 E32G2-K5 WeakPolarHBondContact O-CA 3.27Å; G2-K5 WeakPolarHBondContact O-CB 3.42Å; G2-K5 PolarHBondContact O-N 3.46Å; E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 3.29Å; K5-N9 WeakPolarHBondContact O-CB 3.37Å; K5-N9 PolarHBondContact O-N 3.29Å; K5-E32 WeakPolarHBondContact CD-OE1 3.32Å; K5-E32 WeakPolarHBondContact CE-OE1 2.96Å; K5-E32 IonicContact NZ-OE1 3.91Å; K5-E32 PolarHBondContact NZ-OE1 3.04Å; K5-E32 IonicContact NZ-OE2 3.41Å; K5-E32 PolarHBondContact NZ-OE2 2.97Å
6V98.6Very high95.8Very high45 Ų4539 Ų3927%0.27323%0.225SC..Hα-helixtrans-65-49.3176.2179.60000110.6G2 E3 V4 L8 N9 F10 V98 L111 Y112G2-V6 PolarHBondContact O-N 3.02Å; E3-V6 PolarHBondContact O-N 3.25Å; E3-V6 VanDerWaalsContact O-N 3.16Å; V4-V6 PolarHBondContact O-N 3.09Å; V6-L8 VanDerWaalsContact C-N 3.32Å; V6-L8 PolarHBondContact O-N 3.16Å; V6-N9 PolarHBondContact O-N 2.72Å; V6-F10 PolarHBondContact O-N 2.93Å; V6-V98 HydrophobicContact CB-CG2 4.45Å; V6-L111 HydrophobicContact CG1-CB 4.11Å; V6-Y112 HydrophobicContact CG2-CD2 4.3Å; V6-Y112 HydrophobicContact CG2-CG 4.45Å
7A98.5Very high95.7Very high0 Ų046.6 Ų46.60%027%0.265CS..Hα-helixtrans-57.6-44.3177.500000112.1E3 V4 F10 I11 V91 I93 V98E3-A7 PolarHBondContact O-N 3.4Å; V4-A7 PolarHBondContact O-N 2.97Å; A7-F10 PolarHBondContact O-N 2.86Å; A7-I11 VanDerWaalsContact O-CG1 3.31Å; A7-I11 WeakPolarHBondContact O-CG1 3.41Å; A7-I11 PolarHBondContact O-N 3.36Å; A7-V91 HydrophobicContact CB-CG1 4.12Å; A7-I93 HydrophobicContact CB-CD1 3.4Å; A7-I93 VanDerWaalsContact CB-CD1 3.4Å; A7-I93 HydrophobicContact CB-CG1 3.74Å; A7-V98 HydrophobicContact CB-CG1 3.81Å
8L98.3Very high95.8Very high10 Ų1051.9 Ų51.95%0.05228%0.284CS..Hα-helixtrans-64.2-45.8176.7-70.1165.9000112.5V4 V6 F10 I11 V12 L31 E32 L35V4-L8 HydrophobicContact CG1-CD1 3.76Å; V4-L8 HydrophobicContact CG1-CG 4.32Å; V4-L8 WeakPolarHBondContact O-CB 3.41Å; V4-L8 WeakPolarHBondContact O-CD1 2.91Å; V4-L8 WeakPolarHBondContact O-CG 3.16Å; V4-L8 PolarHBondContact O-N 3.44Å; V6-L8 VanDerWaalsContact C-N 3.32Å; V6-L8 PolarHBondContact O-N 3.16Å; L8-F10 VanDerWaalsContact C-N 3.25Å; L8-F10 PolarHBondContact O-N 3.49Å; L8-I11 PolarHBondContact O-N 3.05Å; L8-V12 WeakPolarHBondContact O-CB 3.46Å; L8-V12 VanDerWaalsContact O-CG2 3.25Å; L8-V12 WeakPolarHBondContact O-CG2 3.32Å; L8-V12 PolarHBondContact O-N 3.29Å; L8-L31 HydrophobicContact CD2-CB 3.77Å; L8-L31 HydrophobicContact CD2-CD2 3.69Å; L8-L31 HydrophobicContact CD2-CG 3.63Å; L8-E32 HydrophobicContact CD1-CB 3.41Å; L8-E32 VanDerWaalsContact CD1-CB 3.41Å; L8-E32 HydrophobicContact CD1-CG 3.74Å; L8-L35 HydrophobicContact CD2-CD1 4.29Å
9N98.1Very high95.8Very high105 Ų10549.9 Ų49.956%0.56127%0.273SS*.Hα-helixtrans-60.3-39.7178.9-172.537.9000111.2K5 V6 S13K5-N9 WeakPolarHBondContact O-CB 3.37Å; K5-N9 PolarHBondContact O-N 3.29Å; V6-N9 PolarHBondContact O-N 2.72Å; N9-S13 WeakPolarHBondContact O-CB 3.4Å; N9-S13 PolarHBondContact O-N 3.32Å; N9-S13 VanDerWaalsContact O-N 3.08Å
10F98.5Very high95.9Very high28 Ų2850.8 Ų50.812%0.12328%0.281CS..Hα-helixtrans-62.7-51.5172.3172-106.8000112.4V6 A7 L8 V12 S13 Y14 L89 V91 Y100 L111V6-F10 PolarHBondContact O-N 2.93Å; A7-F10 PolarHBondContact O-N 2.86Å; L8-F10 VanDerWaalsContact C-N 3.25Å; L8-F10 PolarHBondContact O-N 3.49Å; F10-V12 PolarHBondContact O-N 3.43Å; F10-S13 WeakPolarHBondContact O-CB 3.08Å; F10-S13 PolarHBondContact O-N 2.88Å; F10-S13 PolarHBondContact O-OG 2.95Å; F10-Y14 HydrophobicContact CD2-CE2 4.35Å; F10-Y14 HydrophobicContact CE1-CE2 4.02Å; F10-Y14 AromaticContact CE2-CE2 3.84Å; F10-Y14 HydrophobicContact CE2-CE2 3.84Å; F10-Y14 AromaticContact CZ-CE2 3.66Å; F10-Y14 HydrophobicContact CZ-CE2 3.66Å; F10-Y14 AromaticContact CZ-CZ 4Å; F10-Y14 WeakPolarHBondContact CZ-OH 3.46Å; F10-Y14 WeakPolarHBondContact O-CD2 3.35Å; F10-L89 HydrophobicContact CE1-CD1 3.94Å; F10-L89 HydrophobicContact CE1-CD2 4.18Å; F10-L89 HydrophobicContact CZ-CD1 4.31Å; F10-V91 HydrophobicContact CD1-CG2 4.4Å; F10-V91 HydrophobicContact CE1-CG2 4.21Å; F10-Y100 HydrophobicContact CE1-CD1 4.31Å; F10-Y100 HydrophobicContact CE1-CD2 4.01Å; F10-Y100 AromaticContact CE1-CG 3.86Å; F10-Y100 HydrophobicContact CE1-CG 3.86Å; F10-Y100 HydrophobicContact CE2-CD2 4.5Å; F10-Y100 HydrophobicContact CE2-CE1 4.25Å; F10-Y100 HydrophobicContact CE2-CE2 4.27Å; F10-Y100 HydrophobicContact CZ-CD1 4.04Å; F10-Y100 AromaticContact CZ-CD2 3.54Å; F10-Y100 HydrophobicContact CZ-CD2 3.54Å; F10-Y100 HydrophobicContact CZ-CE1 4.12Å; F10-Y100 AromaticContact CZ-CE2 3.66Å; F10-Y100 HydrophobicContact CZ-CE2 3.66Å; F10-Y100 AromaticContact CZ-CG 3.73Å; F10-Y100 HydrophobicContact CZ-CG 3.73Å; F10-Y100 AromaticContact CZ-CZ 3.93Å; F10-L111 HydrophobicContact CB-CD1 3.81Å; F10-L111 HydrophobicContact CD1-CD1 3.54Å; F10-L111 HydrophobicContact CD2-CD1 3.99Å; F10-L111 HydrophobicContact CD2-CD2 3.73Å; F10-L111 HydrophobicContact CE1-CD1 4.05Å; F10-L111 HydrophobicContact CE2-CD1 4.46Å; F10-L111 HydrophobicContact CE2-CD2 4.08Å; F10-L111 HydrophobicContact CG-CD1 3.5Å; F10-L111 VanDerWaalsContact CG-CD1 3.5Å; F10-L111 HydrophobicContact CG-CD2 4.09Å; F10-L111 HydrophobicContact CG-CG 4.46Å; F10-L111 HydrophobicContact CZ-CD1 4.48Å
11I97.7Very high96Very high1 Ų155 Ų551%0.00529%0.293CS..Hα-helixtrans-59.4-49.3179.4-72.6164.9000111.7A7 L8 S13 Y14 F27 L31 I57 L59 V91A7-I11 VanDerWaalsContact O-CG1 3.31Å; A7-I11 WeakPolarHBondContact O-CG1 3.41Å; A7-I11 PolarHBondContact O-N 3.36Å; L8-I11 PolarHBondContact O-N 3.05Å; I11-S13 PolarHBondContact O-N 3.42Å; I11-Y14 PolarHBondContact O-N 3.06Å; I11-F27 HydrophobicContact CG2-CE1 4.12Å; I11-L31 HydrophobicContact CD1-CD2 4.44Å; I11-L31 HydrophobicContact CG2-CD2 4.36Å; I11-I57 HydrophobicContact CD1-CD1 4.48Å; I11-L59 HydrophobicContact CB-CD2 4.43Å; I11-L59 HydrophobicContact CD1-CD1 4.12Å; I11-L59 HydrophobicContact CD1-CD2 4.27Å; I11-L59 HydrophobicContact CG1-CD1 4.31Å; I11-L59 HydrophobicContact CG1-CD2 4.05Å; I11-L59 HydrophobicContact CG2-CD2 3.57Å; I11-V91 HydrophobicContact CD1-CG2 4.34Å; I11-V91 HydrophobicContact CG1-CG2 4.33Å
12V97.8Very high97.4Very high4 Ų461 Ų612%0.02430%0.299CS..Hα-helixtrans-71.5-21.1-176.3-172.20000111.3L8 F10 Y14 L15 Y16 A24 F27L8-V12 WeakPolarHBondContact O-CB 3.46Å; L8-V12 VanDerWaalsContact O-CG2 3.25Å; L8-V12 WeakPolarHBondContact O-CG2 3.32Å; L8-V12 PolarHBondContact O-N 3.29Å; F10-V12 PolarHBondContact O-N 3.43Å; V12-Y14 PolarHBondContact O-N 2.9Å; V12-L15 WeakPolarHBondContact O-CB 3.26Å; V12-L15 PolarHBondContact O-N 3.33Å; V12-Y16 HydrophobicContact CB-CE1 4.49Å; V12-Y16 HydrophobicContact CG1-CD1 4.16Å; V12-Y16 HydrophobicContact CG1-CE1 3.41Å; V12-Y16 VanDerWaalsContact CG1-CE1 3.41Å; V12-Y16 HydrophobicContact CG1-CE2 4.41Å; V12-Y16 PolarHBondContact O-N 3.09Å; V12-A24 HydrophobicContact CG1-CB 4.03Å; V12-A24 WeakPolarHBondContact CG1-O 3.36Å; V12-F27 HydrophobicContact CG2-CD1 4.12Å; V12-F27 HydrophobicContact CG2-CE1 4.48Å
13S97.9Very high97.6Very high56 Ų5663 Ų6339%0.39229%0.292SS..Hα-helixtrans-57.2-32.9174.679.50000113.7N9 F10 I11 L15N9-S13 WeakPolarHBondContact O-CB 3.4Å; N9-S13 PolarHBondContact O-N 3.32Å; N9-S13 VanDerWaalsContact O-N 3.08Å; F10-S13 WeakPolarHBondContact O-CB 3.08Å; F10-S13 PolarHBondContact O-N 2.88Å; F10-S13 PolarHBondContact O-OG 2.95Å; I11-S13 PolarHBondContact O-N 3.42Å; S13-L15 VanDerWaalsContact C-N 3.29Å; S13-L15 PolarHBondContact O-N 2.7Å
14Y97.3Very high97.6Very high67 Ų6762 Ų6226%0.26329%0.288SS..THydrogen-bonded Turntrans-68.6-25.4174.4-69.4-76000113.5F10 I11 V12 P86 L89F10-Y14 HydrophobicContact CD2-CE2 4.35Å; F10-Y14 HydrophobicContact CE1-CE2 4.02Å; F10-Y14 AromaticContact CE2-CE2 3.84Å; F10-Y14 HydrophobicContact CE2-CE2 3.84Å; F10-Y14 AromaticContact CZ-CE2 3.66Å; F10-Y14 HydrophobicContact CZ-CE2 3.66Å; F10-Y14 AromaticContact CZ-CZ 4Å; F10-Y14 WeakPolarHBondContact CZ-OH 3.46Å; F10-Y14 WeakPolarHBondContact O-CD2 3.35Å; I11-Y14 PolarHBondContact O-N 3.06Å; V12-Y14 PolarHBondContact O-N 2.9Å; Y14-P86 HydrophobicContact CD1-CG 4.24Å; Y14-P86 HydrophobicContact CE1-CG 3.67Å; Y14-P86 HydrophobicContact CE2-CG 4.43Å; Y14-L89 HydrophobicContact CE2-CD2 4.23Å
15L97.2Very high97.6Very high0 Ų064.4 Ų64.40%030%0.301CS..THydrogen-bonded Turntrans-88.6-22-177.7-50.8-175.2000112.2V12 S13 K18 L19 A24 F27 V81 N84 V85V12-L15 WeakPolarHBondContact O-CB 3.26Å; V12-L15 PolarHBondContact O-N 3.33Å; S13-L15 VanDerWaalsContact C-N 3.29Å; S13-L15 PolarHBondContact O-N 2.7Å; L15-K18 PolarHBondContact O-N 3.04Å; L15-L19 HydrophobicContact CB-CD1 4.21Å; L15-L19 HydrophobicContact CD1-CD1 4.46Å; L15-L19 HydrophobicContact CD2-CD1 3.96Å; L15-L19 HydrophobicContact CG-CD1 4.43Å; L15-L19 PolarHBondContact O-N 2.97Å; L15-A24 HydrophobicContact CB-CB 4.09Å; L15-F27 HydrophobicContact CD1-CD1 3.58Å; L15-F27 HydrophobicContact CD1-CE1 3.74Å; L15-F27 HydrophobicContact CD1-CG 4.23Å; L15-F27 HydrophobicContact CD1-CZ 4.49Å; L15-V81 HydrophobicContact CD2-CG1 4.37Å; L15-N84 HydrophobicContact CD2-CB 4.08Å; L15-V85 HydrophobicContact CD2-CG1 4.07Å
16Y96.6Very high97.7Very high50 Ų5062.6 Ų62.620%0.19630%0.296CS..THydrogen-bonded Turntrans-64.6142.6176.4-61.4-32.8000111.8V12 K18 R21 A24V12-Y16 HydrophobicContact CB-CE1 4.49Å; V12-Y16 HydrophobicContact CG1-CD1 4.16Å; V12-Y16 HydrophobicContact CG1-CE1 3.41Å; V12-Y16 VanDerWaalsContact CG1-CE1 3.41Å; V12-Y16 HydrophobicContact CG1-CE2 4.41Å; V12-Y16 PolarHBondContact O-N 3.09Å; Y16-K18 PolarHBondContact O-N 2.95Å; Y16-R21 VanDerWaalsContact CD1-CD 3.44Å; Y16-R21 PolarHBondContact OH-NH1 3.41Å; Y16-R21 VanDerWaalsContact OH-NH1 3.11Å; Y16-A24 HydrophobicContact CD1-CB 4.28Å; Y16-A24 HydrophobicContact CE1-CB 4.3Å
17N95.3Very high97.7Very high169 Ų16960.5 Ų60.590%0.90428%0.283SS*.THydrogen-bonded Turntrans61.35.7-173.8-44.1-55.1000114.8
18K96.6Very high97.7Very high141 Ų14161 Ų6161%0.61329%0.288SS*.THydrogen-bonded Turntrans-114.4-46.8175.1-59.8-60.7-174.7176.60111.8L15 Y16 N84L15-K18 PolarHBondContact O-N 3.04Å; Y16-K18 PolarHBondContact O-N 2.95Å; K18-N84 HydrophobicContact CB-CB 4.31Å; K18-N84 VanDerWaalsContact CB-OD1 3.24Å; K18-N84 WeakPolarHBondContact CB-OD1 3.43Å; K18-N84 WeakPolarHBondContact CD-OD1 3.11Å; K18-N84 HydrophobicContact CG-CB 4.43Å; K18-N84 VanDerWaalsContact CG-OD1 3.25Å; K18-N84 WeakPolarHBondContact CG-OD1 3.43Å
19L96.8Very high97.7Very high15 Ų1566 Ų668%0.07931%0.311CS..SBendtrans-112.1160.3179.2-55.2-178.6000110.5L15 R21 L76 E80 V81L15-L19 HydrophobicContact CB-CD1 4.21Å; L15-L19 HydrophobicContact CD1-CD1 4.46Å; L15-L19 HydrophobicContact CD2-CD1 3.96Å; L15-L19 HydrophobicContact CG-CD1 4.43Å; L15-L19 PolarHBondContact O-N 2.97Å; L19-R21 PolarHBondContact O-N 3.4Å; L19-R21 VanDerWaalsContact O-N 3.15Å; L19-L76 HydrophobicContact CB-CD2 4.27Å; L19-L76 HydrophobicContact CD1-CD1 4.02Å; L19-L76 HydrophobicContact CD1-CD2 4.02Å; L19-E80 HydrophobicContact CD2-CB 4.06Å; L19-V81 HydrophobicContact CD1-CG2 4.08Å
20P97.4Very high97.7Very high67 Ų6763.2 Ų63.244%0.43530%0.295SS..  trans-59.1120.3179-24.935.7000111.1R22 R23 A24P20-R22 VanDerWaalsContact C-N 3.3Å; P20-R22 PolarHBondContact O-N 3.47Å; P20-R22 VanDerWaalsContact O-N 3.12Å; P20-R23 HydrophobicContact CB-CB 4.45Å; P20-R23 WeakPolarHBondContact O-CA 3.44Å; P20-R23 PolarHBondContact O-N 3.27Å; P20-A24 PolarHBondContact O-N 3.05Å
21R97.3Very high97.7Very high138 Ų13861.9 Ų61.952%0.52129%0.289SS..Hα-helixtrans-45.3-51.3-171.7-17654145.6116.2-17.7112.8Y16 L19 R23 A24 D25Y16-R21 VanDerWaalsContact CD1-CD 3.44Å; Y16-R21 PolarHBondContact OH-NH1 3.41Å; Y16-R21 VanDerWaalsContact OH-NH1 3.11Å; L19-R21 PolarHBondContact O-N 3.4Å; L19-R21 VanDerWaalsContact O-N 3.15Å; R21-R23 VanDerWaalsContact C-N 3.29Å; R21-R23 PolarHBondContact O-N 2.88Å; R21-A24 CarbonylContact O-C 3.6Å; R21-A24 WeakPolarHBondContact O-CA 3.26Å; R21-A24 WeakPolarHBondContact O-CB 3.45Å; R21-A24 PolarHBondContact O-N 3.28Å; R21-D25 WeakPolarHBondContact CD-OD1 3.17Å; R21-D25 IonicContact CZ-OD1 3.63Å; R21-D25 IonicContact NE-OD1 3.92Å; R21-D25 IonicContact NH1-OD1 2.63Å; R21-D25 PolarHBondContact NH1-OD1 2.79Å; R21-D25 IonicContact NH1-OD2 3.35Å; R21-D25 PolarHBondContact O-N 3.14Å
22R98.2Very high97.7Very high208 Ų20864.1 Ų64.179%0.78530%0.299SS*.Hα-helixtrans-59-31.7178.9-168.3172.9-175.1162.21.9114.6P20 L26P20-R22 VanDerWaalsContact C-N 3.3Å; P20-R22 PolarHBondContact O-N 3.47Å; P20-R22 VanDerWaalsContact O-N 3.12Å; R22-L26 WeakPolarHBondContact O-CD1 3.49Å; R22-L26 VanDerWaalsContact O-CG 3.26Å; R22-L26 WeakPolarHBondContact O-CG 3.47Å; R22-L26 PolarHBondContact O-N 3.32Å
23R98.3Very high97.8Very high84 Ų8469.9 Ų69.932%0.31732%0.321SS..Hα-helixtrans-78.9-34.7174.1-74.9165.273-151.82.2111.4P20 R21 D25 F27 G75 L76P20-R23 HydrophobicContact CB-CB 4.45Å; P20-R23 WeakPolarHBondContact O-CA 3.44Å; P20-R23 PolarHBondContact O-N 3.27Å; R21-R23 VanDerWaalsContact C-N 3.29Å; R21-R23 PolarHBondContact O-N 2.88Å; R23-D25 VanDerWaalsContact C-N 3.33Å; R23-F27 WeakPolarHBondContact O-CB 3.44Å; R23-F27 PolarHBondContact O-N 3.14Å; R23-G75 PolarHBondContact NE-O 3.33Å; R23-G75 PolarHBondContact NH2-O 3.36Å; R23-L76 HydrophobicContact CB-CD2 3.58Å; R23-L76 HydrophobicContact CB-CG 4.01Å; R23-L76 HydrophobicContact CG-CD2 4.46Å
24A98.1Very high97.8Very high0 Ų068.1 Ų68.10%031%0.307CS..Hα-helixtrans-65.7-35.2171.500000112.3V12 L15 Y16 P20 R21 F27 G28V12-A24 HydrophobicContact CG1-CB 4.03Å; V12-A24 WeakPolarHBondContact CG1-O 3.36Å; L15-A24 HydrophobicContact CB-CB 4.09Å; Y16-A24 HydrophobicContact CD1-CB 4.28Å; Y16-A24 HydrophobicContact CE1-CB 4.3Å; P20-A24 PolarHBondContact O-N 3.05Å; R21-A24 CarbonylContact O-C 3.6Å; R21-A24 WeakPolarHBondContact O-CA 3.26Å; R21-A24 WeakPolarHBondContact O-CB 3.45Å; R21-A24 PolarHBondContact O-N 3.28Å; A24-F27 WeakPolarHBondContact O-CB 3.35Å; A24-F27 PolarHBondContact O-N 3.31Å; A24-G28 PolarHBondContact O-N 2.81Å; A24-G28 VanDerWaalsContact O-N 3.07Å
25D98.3Very high97.8Very high52 Ų5264.9 Ų64.928%0.27829%0.294SS..Hα-helixtrans-65.6-52.2175.6-56.3-22.6000110.7R21 R23 F27 G28 E29R21-D25 WeakPolarHBondContact CD-OD1 3.17Å; R21-D25 IonicContact CZ-OD1 3.63Å; R21-D25 IonicContact NE-OD1 3.92Å; R21-D25 IonicContact NH1-OD1 2.63Å; R21-D25 PolarHBondContact NH1-OD1 2.79Å; R21-D25 IonicContact NH1-OD2 3.35Å; R21-D25 PolarHBondContact O-N 3.14Å; R23-D25 VanDerWaalsContact C-N 3.33Å; D25-F27 PolarHBondContact O-N 3.47Å; D25-G28 WeakPolarHBondContact O-CA 3.29Å; D25-G28 PolarHBondContact O-N 3.48Å; D25-E29 PolarHBondContact O-N 3.19Å
26L98.6Very high97.9Very high74 Ų7468.7 Ų68.739%0.38732%0.317SS..Hα-helixtrans-58.8-32.9174.3-71.1168.4000112.8R22 E29 E30R22-L26 WeakPolarHBondContact O-CD1 3.49Å; R22-L26 VanDerWaalsContact O-CG 3.26Å; R22-L26 WeakPolarHBondContact O-CG 3.47Å; R22-L26 PolarHBondContact O-N 3.32Å; L26-E29 PolarHBondContact O-N 3.2Å; L26-E30 PolarHBondContact O-N 2.84Å
27F98.6Very high97.9Very high1 Ų169.9 Ų69.90%0.00433%0.333CS..Hα-helixtrans-65.1-43173.3172.1-92.9000111.6I11 V12 L15 R23 A24 D25 L31 V67 A70 A71 S74 L76 V81I11-F27 HydrophobicContact CG2-CE1 4.12Å; V12-F27 HydrophobicContact CG2-CD1 4.12Å; V12-F27 HydrophobicContact CG2-CE1 4.48Å; L15-F27 HydrophobicContact CD1-CD1 3.58Å; L15-F27 HydrophobicContact CD1-CE1 3.74Å; L15-F27 HydrophobicContact CD1-CG 4.23Å; L15-F27 HydrophobicContact CD1-CZ 4.49Å; R23-F27 WeakPolarHBondContact O-CB 3.44Å; R23-F27 PolarHBondContact O-N 3.14Å; A24-F27 WeakPolarHBondContact O-CB 3.35Å; A24-F27 PolarHBondContact O-N 3.31Å; D25-F27 PolarHBondContact O-N 3.47Å; F27-L31 HydrophobicContact CE1-CD2 3.9Å; F27-L31 HydrophobicContact CZ-CD2 3.97Å; F27-L31 WeakPolarHBondContact O-CB 3.45Å; F27-L31 PolarHBondContact O-N 3.43Å; F27-V67 HydrophobicContact CE2-CG1 4.34Å; F27-V67 HydrophobicContact CZ-CG1 3.96Å; F27-A70 HydrophobicContact CD2-CB 3.82Å; F27-A70 HydrophobicContact CE2-CB 3.66Å; F27-A70 HydrophobicContact CZ-CB 4.4Å; F27-A71 HydrophobicContact CD2-CB 4.32Å; F27-A71 HydrophobicContact CE2-CB 4.18Å; F27-S74 VanDerWaalsContact N-CB 3.34Å; F27-L76 HydrophobicContact CB-CD1 3.73Å; F27-L76 HydrophobicContact CD2-CD1 4.16Å; F27-L76 HydrophobicContact CG-CD1 4.05Å; F27-V81 HydrophobicContact CE2-CG1 4.16Å; F27-V81 HydrophobicContact CE2-CG2 4.48Å; F27-V81 HydrophobicContact CZ-CG1 4.08Å
28G98.3Very high98Very high11 Ų1164.6 Ų64.611%0.11330%0.3CS..Hα-helixtrans-60.8-44.5173.700000112.4A24 D25 L31 E32A24-G28 PolarHBondContact O-N 2.81Å; A24-G28 VanDerWaalsContact O-N 3.07Å; D25-G28 WeakPolarHBondContact O-CA 3.29Å; D25-G28 PolarHBondContact O-N 3.48Å; G28-L31 PolarHBondContact O-N 3.28Å; G28-E32 WeakPolarHBondContact O-CB 3.5Å; G28-E32 PolarHBondContact O-N 3.34Å
29E98.4Very high98.1Very high115 Ų11558.2 Ų58.254%0.53727%0.273SS..Hα-helixtrans-63.7-45.5178.1-68.6174.4-177.100112.8D25 L26 E32 R33D25-E29 PolarHBondContact O-N 3.19Å; L26-E29 PolarHBondContact O-N 3.2Å; E29-E32 WeakPolarHBondContact O-CB 3.27Å; E29-R33 WeakPolarHBondContact O-CB 3.37Å; E29-R33 PolarHBondContact O-N 3.49Å; E29-R33 VanDerWaalsContact O-N 3.11Å
30E98.6Very high98.1Very high47 Ų4764.8 Ų64.822%0.2230%0.303CS..Hα-helixtrans-69.7-39.8176.7-85.8-65.9143.200112.5L26 E32 R33 I34 A70 R73L26-E30 PolarHBondContact O-N 2.84Å; E30-E32 VanDerWaalsContact C-N 3.35Å; E30-R33 PolarHBondContact O-N 2.96Å; E30-R33 IonicContact OE1-CZ 3.74Å; E30-R33 IonicContact OE1-NE 2.84Å; E30-R33 PolarHBondContact OE1-NE 2.88Å; E30-R33 IonicContact OE1-NH2 3.55Å; E30-R33 IonicContact OE2-CZ 3.85Å; E30-R33 IonicContact OE2-NE 3.94Å; E30-R33 PolarHBondContact OE2-NE 3.03Å; E30-R33 IonicContact OE2-NH2 3.2Å; E30-R33 PolarHBondContact OE2-NH2 3.45Å; E30-I34 VanDerWaalsContact O-CD1 3.29Å; E30-I34 WeakPolarHBondContact O-CD1 3.25Å; E30-I34 WeakPolarHBondContact O-CG1 3.24Å; E30-I34 PolarHBondContact O-N 2.8Å; E30-A70 HydrophobicContact CB-CB 4.38Å; E30-R73 HydrophobicContact CB-CB 4.36Å; E30-R73 HydrophobicContact CG-CB 3.75Å; E30-R73 WeakPolarHBondContact OE2-CD 3.38Å; E30-R73 IonicContact OE2-CZ 3.8Å; E30-R73 IonicContact OE2-NE 2.95Å; E30-R73 IonicContact OE2-NH1 3.89Å; E30-R73 PolarHBondContact OE2-NH1 3.21Å
31L98.5Very high98.1Very high0 Ų064.5 Ų64.50%031%0.312CS..Hα-helixtrans-62.9-42.7176-174.556.8000110.8L8 I11 F27 G28 R33 I34 L35 V66 A70L8-L31 HydrophobicContact CD2-CB 3.77Å; L8-L31 HydrophobicContact CD2-CD2 3.69Å; L8-L31 HydrophobicContact CD2-CG 3.63Å; I11-L31 HydrophobicContact CD1-CD2 4.44Å; I11-L31 HydrophobicContact CG2-CD2 4.36Å; F27-L31 HydrophobicContact CE1-CD2 3.9Å; F27-L31 HydrophobicContact CZ-CD2 3.97Å; F27-L31 WeakPolarHBondContact O-CB 3.45Å; F27-L31 PolarHBondContact O-N 3.43Å; G28-L31 PolarHBondContact O-N 3.28Å; L31-R33 PolarHBondContact O-N 3.34Å; L31-I34 PolarHBondContact O-N 2.73Å; L31-L35 HydrophobicContact CD1-CD1 4.07Å; L31-L35 HydrophobicContact CD1-CD2 4.49Å; L31-L35 HydrophobicContact CD1-CG 4.07Å; L31-L35 HydrophobicContact CG-CD1 3.85Å; L31-L35 HydrophobicContact CG-CG 4.32Å; L31-L35 WeakPolarHBondContact O-CB 3.35Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 2.93Å; L31-V66 HydrophobicContact CD1-CB 4.3Å; L31-V66 HydrophobicContact CD1-CG2 3.86Å; L31-A70 HydrophobicContact CB-CB 3.75Å; L31-A70 HydrophobicContact CD1-CB 4.16Å; L31-A70 HydrophobicContact CG-CB 4.48Å
32E98.4Very high98.1Very high47 Ų4761.4 Ų61.422%0.2230%0.303CS..Hα-helixtrans-53.2-53.7172.1-171.5175.4-177.600112.2V4 K5 L8 G28 E29 E30 I34 L35 V36V4-E32 HydrophobicContact CG1-CG 4.14Å; K5-E32 WeakPolarHBondContact CD-OE1 3.32Å; K5-E32 WeakPolarHBondContact CE-OE1 2.96Å; K5-E32 IonicContact NZ-OE1 3.91Å; K5-E32 PolarHBondContact NZ-OE1 3.04Å; K5-E32 IonicContact NZ-OE2 3.41Å; K5-E32 PolarHBondContact NZ-OE2 2.97Å; L8-E32 HydrophobicContact CD1-CB 3.41Å; L8-E32 VanDerWaalsContact CD1-CB 3.41Å; L8-E32 HydrophobicContact CD1-CG 3.74Å; G28-E32 WeakPolarHBondContact O-CB 3.5Å; G28-E32 PolarHBondContact O-N 3.34Å; E29-E32 WeakPolarHBondContact O-CB 3.27Å; E30-E32 VanDerWaalsContact C-N 3.35Å; E32-I34 VanDerWaalsContact C-N 3.26Å; E32-I34 PolarHBondContact O-N 3.18Å; E32-L35 PolarHBondContact O-N 3.08Å; E32-L35 VanDerWaalsContact O-N 3.16Å; E32-V36 HydrophobicContact CG-CG2 4.27Å; E32-V36 WeakPolarHBondContact O-CG2 3.42Å; E32-V36 PolarHBondContact O-N 3.42Å
33R98.3Very high98.1Very high126 Ų12654.8 Ų54.848%0.47528%0.278SS..Hα-helixtrans-62.4-36.6-175.4-164.4-17363.770.4-3.2111.8E29 E30 L31 S37E29-R33 WeakPolarHBondContact O-CB 3.37Å; E29-R33 PolarHBondContact O-N 3.49Å; E29-R33 VanDerWaalsContact O-N 3.11Å; E30-R33 PolarHBondContact O-N 2.96Å; E30-R33 IonicContact OE1-CZ 3.74Å; E30-R33 IonicContact OE1-NE 2.84Å; E30-R33 PolarHBondContact OE1-NE 2.88Å; E30-R33 IonicContact OE1-NH2 3.55Å; E30-R33 IonicContact OE2-CZ 3.85Å; E30-R33 IonicContact OE2-NE 3.94Å; E30-R33 PolarHBondContact OE2-NE 3.03Å; E30-R33 IonicContact OE2-NH2 3.2Å; E30-R33 PolarHBondContact OE2-NH2 3.45Å; L31-R33 PolarHBondContact O-N 3.34Å; R33-S37 WeakPolarHBondContact O-CB 3.18Å; R33-S37 PolarHBondContact O-N 2.94Å
34I98.4Very high98Very high18 Ų1853 Ų539%0.09227%0.272CS..Hα-helixtrans-69.7-45.1175.2-63.7158.8000110.8E30 L31 E32 S37 R38 V66 L69 A70E30-I34 VanDerWaalsContact O-CD1 3.29Å; E30-I34 WeakPolarHBondContact O-CD1 3.25Å; E30-I34 WeakPolarHBondContact O-CG1 3.24Å; E30-I34 PolarHBondContact O-N 2.8Å; L31-I34 PolarHBondContact O-N 2.73Å; E32-I34 VanDerWaalsContact C-N 3.26Å; E32-I34 PolarHBondContact O-N 3.18Å; I34-S37 PolarHBondContact O-N 3.38Å; I34-R38 WeakPolarHBondContact O-CB 3.5Å; I34-R38 PolarHBondContact O-N 2.91Å; I34-V66 HydrophobicContact CG2-CB 3.63Å; I34-V66 HydrophobicContact CG2-CG1 3.52Å; I34-L69 HydrophobicContact CD1-CB 4.03Å; I34-L69 HydrophobicContact CD1-CD2 3.94Å; I34-L69 HydrophobicContact CD1-CG 3.81Å; I34-L69 HydrophobicContact CG1-CD2 4.27Å; I34-A70 HydrophobicContact CD1-CB 4.1Å
35L98.3Very high97.9Very high0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-67.8-44.6-177.8-68.5171.2000112.6V4 L8 L31 E32 S37 R38 F39 I57 V66 I93V4-L35 HydrophobicContact CG1-CB 4.47Å; V4-L35 HydrophobicContact CG1-CD1 4.49Å; L8-L35 HydrophobicContact CD2-CD1 4.29Å; L31-L35 HydrophobicContact CD1-CD1 4.07Å; L31-L35 HydrophobicContact CD1-CD2 4.49Å; L31-L35 HydrophobicContact CD1-CG 4.07Å; L31-L35 HydrophobicContact CG-CD1 3.85Å; L31-L35 HydrophobicContact CG-CG 4.32Å; L31-L35 WeakPolarHBondContact O-CB 3.35Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 2.93Å; E32-L35 PolarHBondContact O-N 3.08Å; E32-L35 VanDerWaalsContact O-N 3.16Å; L35-S37 VanDerWaalsContact C-N 3.27Å; L35-S37 PolarHBondContact O-N 3.48Å; L35-R38 PolarHBondContact O-N 3.46Å; L35-R38 VanDerWaalsContact O-N 3.15Å; L35-F39 HydrophobicContact CB-CE2 4.36Å; L35-F39 HydrophobicContact CB-CZ 4.25Å; L35-F39 HydrophobicContact CD2-CE1 3.95Å; L35-F39 HydrophobicContact CD2-CZ 3.8Å; L35-F39 WeakPolarHBondContact O-CB 3.4Å; L35-F39 WeakPolarHBondContact O-CD1 3.46Å; L35-F39 WeakPolarHBondContact O-CG 3.47Å; L35-F39 PolarHBondContact O-N 3.24Å; L35-I57 HydrophobicContact CD1-CD1 3.45Å; L35-I57 VanDerWaalsContact CD1-CD1 3.45Å; L35-I57 HydrophobicContact CD2-CD1 3.46Å; L35-I57 VanDerWaalsContact CD2-CD1 3.46Å; L35-I57 HydrophobicContact CD2-CG1 3.87Å; L35-I57 HydrophobicContact CG-CD1 4.09Å; L35-V66 HydrophobicContact CD2-CG2 4.04Å; L35-I93 HydrophobicContact CD1-CD1 4.3Å
36V97.7Very high97.8Very high79 Ų7959.4 Ų59.448%0.47931%0.305SS..Hα-helixtrans-57.9-43176.5171.40000110.7V4 E32 E40V4-V36 HydrophobicContact CG1-CG2 4.4Å; E32-V36 HydrophobicContact CG-CG2 4.27Å; E32-V36 WeakPolarHBondContact O-CG2 3.42Å; E32-V36 PolarHBondContact O-N 3.42Å; V36-E40 PolarHBondContact O-N 3.2Å
37S97.7Very high97.7Very high76 Ų7657.9 Ų57.953%0.53130%0.302SS..Hα-helixtrans-70.2-37.1175.7-179.20000113.1R33 I34 L35 E40R33-S37 WeakPolarHBondContact O-CB 3.18Å; R33-S37 PolarHBondContact O-N 2.94Å; I34-S37 PolarHBondContact O-N 3.38Å; L35-S37 VanDerWaalsContact C-N 3.27Å; L35-S37 PolarHBondContact O-N 3.48Å; S37-E40 WeakPolarHBondContact O-CB 3.18Å
38R97.3Very high97.6Very high57 Ų5759.7 Ų59.722%0.21531%0.314CS..Hα-helixtrans-65-39.1175.7177.1177.2166.9171-10.2111.9I34 L35 E40 F54 C56 D64 V66I34-R38 WeakPolarHBondContact O-CB 3.5Å; I34-R38 PolarHBondContact O-N 2.91Å; L35-R38 PolarHBondContact O-N 3.46Å; L35-R38 VanDerWaalsContact O-N 3.15Å; R38-E40 VanDerWaalsContact C-N 3.29Å; R38-E40 PolarHBondContact O-N 2.96Å; R38-F54 HydrophobicContact CG-CE1 3.94Å; R38-F54 HydrophobicContact CG-CE2 4.44Å; R38-F54 HydrophobicContact CG-CZ 3.66Å; R38-F54 PolarHBondContact NE-O 2.9Å; R38-F54 PolarHBondContact NH2-O 3.46Å; R38-F54 WeakPolarHBondContact O-CE1 3.47Å; R38-F54 VanDerWaalsContact O-CZ 3.3Å; R38-F54 WeakPolarHBondContact O-CZ 3.49Å; R38-C56 PolarHBondContact NH2-O 3.46Å; R38-D64 IonicContact CZ-OD2 3.61Å; R38-D64 IonicContact NH1-OD1 2.65Å; R38-D64 PolarHBondContact NH1-OD1 3.24Å; R38-D64 IonicContact NH1-OD2 3.28Å; R38-D64 PolarHBondContact NH1-OD2 2.86Å; R38-D64 IonicContact NH2-OD2 3.43Å; R38-D64 PolarHBondContact NH2-OD2 3.42Å; R38-V66 VanDerWaalsContact NH1-CG1 3.28Å
39F97.9Very high97.5Very high8 Ų865.7 Ų65.74%0.03534%0.343CS..Hα-helixtrans-82.6-7.1-174.4-60.8-4.2000113.1V4 L35 G41 H42 W43 R55 I93V4-F39 HydrophobicContact CG2-CD2 4.32Å; V4-F39 HydrophobicContact CG2-CE2 4.23Å; L35-F39 HydrophobicContact CB-CE2 4.36Å; L35-F39 HydrophobicContact CB-CZ 4.25Å; L35-F39 HydrophobicContact CD2-CE1 3.95Å; L35-F39 HydrophobicContact CD2-CZ 3.8Å; L35-F39 WeakPolarHBondContact O-CB 3.4Å; L35-F39 WeakPolarHBondContact O-CD1 3.46Å; L35-F39 WeakPolarHBondContact O-CG 3.47Å; L35-F39 PolarHBondContact O-N 3.24Å; F39-G41 PolarHBondContact O-N 3.03Å; F39-H42 CarbonylContact O-C 3.58Å; F39-H42 WeakPolarHBondContact O-CA 3.3Å; F39-H42 PolarHBondContact O-N 2.79Å; F39-W43 HydrophobicContact CB-CE3 4.44Å; F39-W43 HydrophobicContact CD2-CE3 4.17Å; F39-W43 HydrophobicContact CD2-CZ3 4.02Å; F39-W43 PolarHBondContact O-N 2.81Å; F39-R55 HydrophobicContact CD1-CB 4.07Å; F39-R55 HydrophobicContact CD1-CG 3.66Å; F39-R55 HydrophobicContact CD2-CG 4.26Å; F39-R55 HydrophobicContact CE1-CB 3.68Å; F39-R55 HydrophobicContact CE1-CG 3.84Å; F39-R55 HydrophobicContact CE2-CB 4.18Å; F39-R55 HydrophobicContact CE2-CG 4.38Å; F39-R55 HydrophobicContact CG-CG 3.91Å; F39-R55 HydrophobicContact CZ-CB 3.73Å; F39-R55 HydrophobicContact CZ-CG 4.18Å; F39-R55 VanDerWaalsContact CZ-O 3.27Å; F39-R55 WeakPolarHBondContact CZ-O 3.43Å; F39-I93 HydrophobicContact CE2-CB 3.91Å; F39-I93 HydrophobicContact CE2-CD1 4.12Å; F39-I93 HydrophobicContact CE2-CG2 4.06Å; F39-I93 HydrophobicContact CZ-CB 4.34Å; F39-I93 HydrophobicContact CZ-CD1 4.2Å
40E96.9Very high97.5Very high152 Ų15267.1 Ų67.171%0.7134%0.344SS*.THydrogen-bonded Turntrans-59.6134175.1-166.4158-156.600111V36 S37 R38 H42V36-E40 PolarHBondContact O-N 3.2Å; S37-E40 WeakPolarHBondContact O-CB 3.18Å; R38-E40 VanDerWaalsContact C-N 3.29Å; R38-E40 PolarHBondContact O-N 2.96Å; E40-H42 PolarHBondContact O-N 3.23Å; E40-H42 VanDerWaalsContact O-N 3.11Å; E40-H42 PolarHBondContact O-ND1 3.41Å
41G97.2Very high97.5Very high61 Ų6166.3 Ų66.363%0.62935%0.348SS*.THydrogen-bonded Turntrans70.5-6.8-170.400000115.9F39 Y44F39-G41 PolarHBondContact O-N 3.03Å; G41-Y44 PolarHBondContact O-OH 2.91Å
42H97.9Very high97.5Very high74 Ų7467.1 Ų67.134%0.34335%0.353SS..  trans-121.528.7-175.5-6182.9000112.4F39 E40 F54 R55F39-H42 CarbonylContact O-C 3.58Å; F39-H42 WeakPolarHBondContact O-CA 3.3Å; F39-H42 PolarHBondContact O-N 2.79Å; E40-H42 PolarHBondContact O-N 3.23Å; E40-H42 VanDerWaalsContact O-N 3.11Å; E40-H42 PolarHBondContact O-ND1 3.41Å; H42-F54 HydrophobicContact CB-CD1 3.77Å; H42-F54 HydrophobicContact CB-CE1 3.61Å; H42-F54 AromaticContact CD2-CD1 3.86Å; H42-F54 AromaticContact CD2-CE1 3.79Å; H42-F54 AromaticContact CG-CD1 3.81Å; H42-F54 AromaticContact CG-CE1 3.45Å; H42-F54 VanDerWaalsContact CG-CE1 3.45Å; H42-F54 AromaticContact ND1-CE1 3.79Å; H42-R55 WeakPolarHBondContact O-CD 3.41Å; H42-R55 PolarHBondContact O-NH1 3.11Å
43W98Very high97.4Very high69 Ų6969.1 Ų69.126%0.26138%0.378SS..  trans-121.8116.9178.9-166.5-94.7000109.3A1 E3 F39 I93 P95A1-W43 HydrophobicContact CB-CH2 4.37Å; A1-W43 HydrophobicContact CB-CZ2 4.18Å; E3-W43 HydrophobicContact CB-CH2 4.18Å; E3-W43 HydrophobicContact CG-CH2 4.36Å; E3-W43 HydrophobicContact CG-CZ2 4.4Å; E3-W43 WeakPolarHBondContact OE1-CZ2 3.38Å; F39-W43 HydrophobicContact CB-CE3 4.44Å; F39-W43 HydrophobicContact CD2-CE3 4.17Å; F39-W43 HydrophobicContact CD2-CZ3 4.02Å; F39-W43 PolarHBondContact O-N 2.81Å; W43-I93 HydrophobicContact CH2-CG2 4.3Å; W43-I93 HydrophobicContact CZ3-CG2 4.33Å; W43-I93 WeakPolarHBondContact CZ3-O 3.19Å; W43-P95 HydrophobicContact CD2-CG 4.06Å; W43-P95 HydrophobicContact CG-CG 4.43Å; W43-P95 HydrophobicContact CH2-CG 4.46Å; W43-P95 HydrophobicContact CZ2-CB 4.11Å; W43-P95 HydrophobicContact CZ2-CG 3.95Å
44Y96.9Very high97.4Very high45 Ų4567 Ų6718%0.17637%0.373CS..  trans-130.780.4-167.9-53.8-71.1000110.8G41 E46 A47 P48 R50G41-Y44 PolarHBondContact O-OH 2.91Å; Y44-E46 VanDerWaalsContact CA-OE2 3.31Å; Y44-E46 WeakPolarHBondContact CA-OE2 3.37Å; Y44-E46 WeakPolarHBondContact CB-OE1 3.36Å; Y44-E46 PolarHBondContact O-N 2.93Å; Y44-E46 VanDerWaalsContact O-N 3.16Å; Y44-A47 CarbonylContact O-C 3.54Å; Y44-A47 PolarHBondContact O-N 3.11Å; Y44-P48 WeakPolarHBondContact O-CA 3.19Å; Y44-R50 HydrophobicContact CD2-CB 3.74Å; Y44-R50 HydrophobicContact CD2-CG 3.54Å; Y44-R50 WeakPolarHBondContact CD2-O 3.43Å; Y44-R50 HydrophobicContact CE2-CB 4.42Å; Y44-R50 HydrophobicContact CE2-CG 3.75Å; Y44-R50 HydrophobicContact CG-CB 4.25Å; Y44-R50 HydrophobicContact CG-CG 4.16Å
45P95.8Very high97.4Very high51 Ų5166.1 Ų66.133%0.33137%0.368SS..THydrogen-bonded Turntrans-60.3-23.7-178.3-20.833000113.9A47 P95 Y96P45-A47 VanDerWaalsContact C-N 3.32Å; P45-P95 HydrophobicContact CB-CB 4.26Å; P45-Y96 HydrophobicContact CB-CE2 4.27Å; P45-Y96 WeakPolarHBondContact CB-OH 3.13Å; P45-Y96 WeakPolarHBondContact O-CE2 3.47Å
46E95.4Very high97.4Very high137 Ų13767.1 Ų67.164%0.6438%0.375SS*.THydrogen-bonded Turntrans-75.3-18.8174.177.1-69.5173.500113.8Y44Y44-E46 VanDerWaalsContact CA-OE2 3.31Å; Y44-E46 WeakPolarHBondContact CA-OE2 3.37Å; Y44-E46 WeakPolarHBondContact CB-OE1 3.36Å; Y44-E46 PolarHBondContact O-N 2.93Å; Y44-E46 VanDerWaalsContact O-N 3.16Å
47A96.7Very high97.4Very high41 Ų4163.4 Ų63.434%0.33935%0.352SS..SBendtrans-146.870.8178.600000110Y44 P45 L49 R50Y44-A47 CarbonylContact O-C 3.54Å; Y44-A47 PolarHBondContact O-N 3.11Å; P45-A47 VanDerWaalsContact C-N 3.32Å; A47-L49 VanDerWaalsContact C-N 3.31Å; A47-L49 PolarHBondContact O-N 3.48Å; A47-L49 VanDerWaalsContact O-N 3.1Å; A47-R50 HydrophobicContact CB-CB 4.06Å; A47-R50 WeakPolarHBondContact O-CB 3.47Å; A47-R50 PolarHBondContact O-N 3.41Å
48P96.8Very high97.2Very high39 Ų3962.2 Ų62.225%0.25334%0.338SS..THydrogen-bonded Turntrans-52.4-42.4-165-31.637.3000115Y44 R50 R55 P95 Y96Y44-P48 WeakPolarHBondContact O-CA 3.19Å; P48-R50 PolarHBondContact O-N 2.88Å; P48-R55 PolarHBondContact O-NH2 3.47Å; P48-P95 HydrophobicContact CB-CB 4.08Å; P48-P95 HydrophobicContact CB-CG 4.23Å; P48-P95 HydrophobicContact CG-CB 4.24Å; P48-Y96 HydrophobicContact CG-CD2 3.99Å; P48-Y96 HydrophobicContact CG-CE2 4.11Å
49L97.2Very high97Very high137 Ų13759.5 Ų59.572%0.71733%0.328SS*.THydrogen-bonded Turntrans-68.1-15.6179.8-59.3178.4000114A47 G51 S52A47-L49 VanDerWaalsContact C-N 3.31Å; A47-L49 PolarHBondContact O-N 3.48Å; A47-L49 VanDerWaalsContact O-N 3.1Å; L49-G51 PolarHBondContact O-N 2.86Å; L49-S52 WeakPolarHBondContact O-CB 3.19Å; L49-S52 PolarHBondContact O-N 3.36Å
50R98.1Very high96.2Very high145 Ų14559.1 Ų59.155%0.54733%0.327SS..THydrogen-bonded Turntrans-62.8123175.5-175-177.9173.6-174.90.9109Y44 A47 P48 S52 R55Y44-R50 HydrophobicContact CD2-CB 3.74Å; Y44-R50 HydrophobicContact CD2-CG 3.54Å; Y44-R50 WeakPolarHBondContact CD2-O 3.43Å; Y44-R50 HydrophobicContact CE2-CB 4.42Å; Y44-R50 HydrophobicContact CE2-CG 3.75Å; Y44-R50 HydrophobicContact CG-CB 4.25Å; Y44-R50 HydrophobicContact CG-CG 4.16Å; A47-R50 HydrophobicContact CB-CB 4.06Å; A47-R50 WeakPolarHBondContact O-CB 3.47Å; A47-R50 PolarHBondContact O-N 3.41Å; P48-R50 PolarHBondContact O-N 2.88Å; R50-S52 PolarHBondContact O-N 3.45Å; R50-R55 PolarHBondContact O-NH1 2.9Å; R50-R55 PolarHBondContact O-NH2 3.15Å
51G97.9Very high95.4Very high30 Ų3054.5 Ų54.531%0.30932%0.315SS..THydrogen-bonded Turntrans74.16.5-177.400000115.1L49 A53 F54 R55L49-G51 PolarHBondContact O-N 2.86Å; G51-A53 VanDerWaalsContact C-N 3.31Å; G51-A53 PolarHBondContact O-N 3.16Å; G51-F54 WeakPolarHBondContact O-CA 3.39Å; G51-F54 WeakPolarHBondContact O-CB 3.27Å; G51-F54 PolarHBondContact O-N 2.91Å; G51-R55 PolarHBondContact O-N 3.34Å
52S98.3Very high94.8Very high17 Ų1757.4 Ų57.412%0.11932%0.322CS..Hα-helixtrans-53-45.6178.9176.60000112.6L49 R50 F54 R55 C56 D94L49-S52 WeakPolarHBondContact O-CB 3.19Å; L49-S52 PolarHBondContact O-N 3.36Å; R50-S52 PolarHBondContact O-N 3.45Å; S52-F54 VanDerWaalsContact C-N 3.26Å; S52-F54 PolarHBondContact O-N 3.33Å; S52-R55 CarbonylContact O-C 3.57Å; S52-R55 PolarHBondContact O-N 3Å; S52-R55 VanDerWaalsContact O-N 3.09Å; S52-C56 PolarHBondContact O-N 2.88Å; S52-D94 WeakPolarHBondContact CA-OD1 3.26Å; S52-D94 WeakPolarHBondContact CB-OD1 3.37Å; S52-D94 WeakPolarHBondContact CB-OD2 3.31Å; S52-D94 PolarHBondContact OG-OD1 2.85Å; S52-D94 PolarHBondContact OG-OD2 2.61Å
53A97.4Very high94.2Very high90 Ų9055.1 Ų55.174%0.74431%0.311SS*.Hα-helixtrans-62.8-27175.700000114.4G51G51-A53 VanDerWaalsContact C-N 3.31Å; G51-A53 PolarHBondContact O-N 3.16Å
54F98.1Very high94Very high81 Ų8152.9 Ų52.936%0.35530%0.304SS..Hα-helixtrans-79.2-30.8174.7166.3-92.2000112.1R38 H42 G51 S52R38-F54 HydrophobicContact CG-CE1 3.94Å; R38-F54 HydrophobicContact CG-CE2 4.44Å; R38-F54 HydrophobicContact CG-CZ 3.66Å; R38-F54 PolarHBondContact NE-O 2.9Å; R38-F54 PolarHBondContact NH2-O 3.46Å; R38-F54 WeakPolarHBondContact O-CE1 3.47Å; R38-F54 VanDerWaalsContact O-CZ 3.3Å; R38-F54 WeakPolarHBondContact O-CZ 3.49Å; H42-F54 HydrophobicContact CB-CD1 3.77Å; H42-F54 HydrophobicContact CB-CE1 3.61Å; H42-F54 AromaticContact CD2-CD1 3.86Å; H42-F54 AromaticContact CD2-CE1 3.79Å; H42-F54 AromaticContact CG-CD1 3.81Å; H42-F54 AromaticContact CG-CE1 3.45Å; H42-F54 VanDerWaalsContact CG-CE1 3.45Å; H42-F54 AromaticContact ND1-CE1 3.79Å; G51-F54 WeakPolarHBondContact O-CA 3.39Å; G51-F54 WeakPolarHBondContact O-CB 3.27Å; G51-F54 PolarHBondContact O-N 2.91Å; S52-F54 VanDerWaalsContact C-N 3.26Å; S52-F54 PolarHBondContact O-N 3.33Å
55R98.4Very high94Very high0 Ų055.3 Ų55.30%033%0.325CS..Hα-helixtrans-85.1-19176.2-62.2-168.8-59.6-89.8-8.8113.7F39 H42 P48 R50 G51 S52 I57 I93 D94F39-R55 HydrophobicContact CD1-CB 4.07Å; F39-R55 HydrophobicContact CD1-CG 3.66Å; F39-R55 HydrophobicContact CD2-CG 4.26Å; F39-R55 HydrophobicContact CE1-CB 3.68Å; F39-R55 HydrophobicContact CE1-CG 3.84Å; F39-R55 HydrophobicContact CE2-CB 4.18Å; F39-R55 HydrophobicContact CE2-CG 4.38Å; F39-R55 HydrophobicContact CG-CG 3.91Å; F39-R55 HydrophobicContact CZ-CB 3.73Å; F39-R55 HydrophobicContact CZ-CG 4.18Å; F39-R55 VanDerWaalsContact CZ-O 3.27Å; F39-R55 WeakPolarHBondContact CZ-O 3.43Å; H42-R55 WeakPolarHBondContact O-CD 3.41Å; H42-R55 PolarHBondContact O-NH1 3.11Å; P48-R55 PolarHBondContact O-NH2 3.47Å; R50-R55 PolarHBondContact O-NH1 2.9Å; R50-R55 PolarHBondContact O-NH2 3.15Å; G51-R55 PolarHBondContact O-N 3.34Å; S52-R55 CarbonylContact O-C 3.57Å; S52-R55 PolarHBondContact O-N 3Å; S52-R55 VanDerWaalsContact O-N 3.09Å; R55-I57 PolarHBondContact O-N 3.5Å; R55-I93 WeakPolarHBondContact CD-O 3.25Å; R55-I93 PolarHBondContact NE-O 3.45Å; R55-D94 IonicContact CZ-OD1 2.88Å; R55-D94 IonicContact NE-OD1 3.35Å; R55-D94 PolarHBondContact NE-OD1 3.31Å; R55-D94 VanDerWaalsContact NH2-CG 3.27Å; R55-D94 IonicContact NH2-OD1 2.67Å; R55-D94 PolarHBondContact NH2-OD1 2.73Å
56C97.8Very high94Very high21 Ų2153.5 Ų53.514%0.14231%0.313CS..  trans-55.8134.9174.2-174.30000111.2R38 S52 V91 W92R38-C56 PolarHBondContact NH2-O 3.46Å; S52-C56 PolarHBondContact O-N 2.88Å; C56-V91 CarbonylContact C-O 3.57Å; C56-V91 WeakPolarHBondContact CA-O 3.2Å; C56-W92 HydrophobicContact CB-CG 4.34Å
57I97.1Very high94.1Very high0 Ų047 Ų470%028%0.282CS..EExtended strand (participates in β ladder)trans-113.5119.7178.3-49171000107.9I11 L35 R55 L59 D64 V66 V67 S90 V91 I93I11-I57 HydrophobicContact CD1-CD1 4.48Å; L35-I57 HydrophobicContact CD1-CD1 3.45Å; L35-I57 VanDerWaalsContact CD1-CD1 3.45Å; L35-I57 HydrophobicContact CD2-CD1 3.46Å; L35-I57 VanDerWaalsContact CD2-CD1 3.46Å; L35-I57 HydrophobicContact CD2-CG1 3.87Å; L35-I57 HydrophobicContact CG-CD1 4.09Å; R55-I57 PolarHBondContact O-N 3.5Å; I57-L59 HydrophobicContact CB-CD1 4.36Å; I57-L59 HydrophobicContact CG2-CD1 3.87Å; I57-L59 HydrophobicContact CG2-CG 4.35Å; I57-D64 HydrophobicContact CG2-CB 4.34Å; I57-V66 HydrophobicContact CG2-CG2 4.36Å; I57-V67 HydrophobicContact CG2-CG2 3.67Å; I57-S90 CarbonylContact O-C 3.49Å; I57-S90 WeakPolarHBondContact O-CA 3.39Å; I57-V91 PolarHBondContact N-O 2.63Å; I57-V91 PolarHBondContact O-N 3.11Å; I57-I93 HydrophobicContact CD1-CD1 3.58Å; I57-I93 HydrophobicContact CG1-CD1 4.43Å
58H95.3Very high94Very high51 Ų5148.1 Ų48.124%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-100.4119.7171.4-165.575.7000110.5G60 A61 P62 D64 S90H58-G60 PolarHBondContact CD2-N 2.92Å; H58-G60 VanDerWaalsContact NE2-CA 3.32Å; H58-G60 WeakPolarHBondContact NE2-CA 3.4Å; H58-A61 PolarHBondContact NE2-N 2.97Å; H58-P62 PolarHBondContact CD2-O 3.48Å; H58-P62 VanDerWaalsContact CD2-O 3.31Å; H58-D64 WeakPolarHBondContact O-CB 3.35Å; H58-D64 PolarHBondContact O-N 3.39Å; H58-S90 PolarHBondContact ND1-OG 3.39Å
59L92.4Very high94.1Very high0 Ų049.4 Ų49.40%029%0.285CS..  trans-97-14.2-178.7-68.192.9000113.1I11 I57 R63 V67 V85 L89 V91I11-L59 HydrophobicContact CB-CD2 4.43Å; I11-L59 HydrophobicContact CD1-CD1 4.12Å; I11-L59 HydrophobicContact CD1-CD2 4.27Å; I11-L59 HydrophobicContact CG1-CD1 4.31Å; I11-L59 HydrophobicContact CG1-CD2 4.05Å; I11-L59 HydrophobicContact CG2-CD2 3.57Å; I57-L59 HydrophobicContact CB-CD1 4.36Å; I57-L59 HydrophobicContact CG2-CD1 3.87Å; I57-L59 HydrophobicContact CG2-CG 4.35Å; L59-R63 PolarHBondContact O-NH2 3.27Å; L59-R63 VanDerWaalsContact O-NH2 3.14Å; L59-V67 HydrophobicContact CD2-CG1 4.38Å; L59-V67 HydrophobicContact CG-CG1 4.49Å; L59-V67 HydrophobicContact CG-CG2 4.25Å; L59-V85 HydrophobicContact CB-CG2 4.16Å; L59-V85 HydrophobicContact CD2-CG1 4.18Å; L59-L89 HydrophobicContact CB-CB 4.36Å; L59-L89 HydrophobicContact CB-CD2 4.45Å; L59-L89 HydrophobicContact CD1-CD2 4.05Å; L59-L89 HydrophobicContact CD1-CG 4.09Å; L59-L89 HydrophobicContact CD2-CD2 4.4Å; L59-L89 PolarHBondContact N-O 2.97Å; L59-V91 HydrophobicContact CD1-CG2 4.13Å
60G79.8Confident94.1Very high1 Ų142.9 Ų42.91%0.0125%0.251CS..SBendtrans-72.8-146175.200000113.9H58 R63 A87H58-G60 PolarHBondContact CD2-N 2.92Å; H58-G60 VanDerWaalsContact NE2-CA 3.32Å; H58-G60 WeakPolarHBondContact NE2-CA 3.4Å; G60-R63 VanDerWaalsContact O-CA 3.26Å; G60-R63 WeakPolarHBondContact O-CA 3.47Å; G60-R63 WeakPolarHBondContact O-CB 3.41Å; G60-R63 PolarHBondContact O-N 3.01Å; G60-A87 WeakPolarHBondContact CA-O 3.45Å
61A80.3Confident94.1Very high55 Ų5536 Ų3646%0.45523%0.225SC..SBendtrans-124.7127.5-179.500000111.7H58H58-A61 PolarHBondContact NE2-N 2.97Å
62P84.5Confident94.1Very high121 Ų12140.4 Ų40.479%0.78624%0.236SC*.SBendcis-72138.7-2.231.3-35.3000112H58H58-P62 PolarHBondContact CD2-O 3.48Å; H58-P62 VanDerWaalsContact CD2-O 3.31Å
63R86.9Confident94.1Very high27 Ų2745.4 Ų45.410%0.10225%0.252CS..PPolyproline II helixtrans-85.6149.5-172.186.2-159.4-38.4-90.2-14.6112.8L59 G60 E68L59-R63 PolarHBondContact O-NH2 3.27Å; L59-R63 VanDerWaalsContact O-NH2 3.14Å; G60-R63 VanDerWaalsContact O-CA 3.26Å; G60-R63 WeakPolarHBondContact O-CA 3.47Å; G60-R63 WeakPolarHBondContact O-CB 3.41Å; G60-R63 PolarHBondContact O-N 3.01Å; R63-E68 HydrophobicContact CG-CG 3.72Å
64D93.8Very high94.2Very high21 Ų2141.5 Ų41.511%0.11222%0.219CC..PPolyproline II helixtrans-66.9129.4178.5-169.6-51.7000110.8R38 I57 H58 V66 V67R38-D64 IonicContact CZ-OD2 3.61Å; R38-D64 IonicContact NH1-OD1 2.65Å; R38-D64 PolarHBondContact NH1-OD1 3.24Å; R38-D64 IonicContact NH1-OD2 3.28Å; R38-D64 PolarHBondContact NH1-OD2 2.86Å; R38-D64 IonicContact NH2-OD2 3.43Å; R38-D64 PolarHBondContact NH2-OD2 3.42Å; I57-D64 HydrophobicContact CG2-CB 4.34Å; H58-D64 WeakPolarHBondContact O-CB 3.35Å; H58-D64 PolarHBondContact O-N 3.39Å; D64-V66 HydrophobicContact CB-CG2 4.37Å; D64-V66 PolarHBondContact O-N 3.12Å; D64-V66 WeakPolarHBondContact OD1-CG1 3.34Å; D64-V66 VanDerWaalsContact OD1-CG2 3.27Å; D64-V66 WeakPolarHBondContact OD1-CG2 3.45Å; D64-V66 PolarHBondContact OD1-N 3.07Å; D64-V67 HydrophobicContact CB-CG2 4.15Å; D64-V67 WeakPolarHBondContact O-CB 3.31Å; D64-V67 PolarHBondContact O-N 2.85Å
65P95.8Very high94.1Very high96 Ų9639.9 Ų39.962%0.62323%0.225SC*.Hα-helixtrans-52.5-26.3178.9-29.636000115.4V67 E68 L69P65-V67 VanDerWaalsContact C-N 3.26Å; P65-V67 PolarHBondContact O-N 3.02Å; P65-E68 PolarHBondContact O-N 3.21Å; P65-L69 WeakPolarHBondContact O-CB 3.18Å; P65-L69 PolarHBondContact O-N 2.82Å
66V97Very high94.1Very high13 Ų1340.1 Ų40.18%0.07923%0.227CC..Hα-helixtrans-65.2-32.5176.4-56.20000112.2L31 I34 L35 R38 I57 D64 L69 A70L31-V66 HydrophobicContact CD1-CB 4.3Å; L31-V66 HydrophobicContact CD1-CG2 3.86Å; I34-V66 HydrophobicContact CG2-CB 3.63Å; I34-V66 HydrophobicContact CG2-CG1 3.52Å; L35-V66 HydrophobicContact CD2-CG2 4.04Å; R38-V66 VanDerWaalsContact NH1-CG1 3.28Å; I57-V66 HydrophobicContact CG2-CG2 4.36Å; D64-V66 HydrophobicContact CB-CG2 4.37Å; D64-V66 PolarHBondContact O-N 3.12Å; D64-V66 WeakPolarHBondContact OD1-CG1 3.34Å; D64-V66 VanDerWaalsContact OD1-CG2 3.27Å; D64-V66 WeakPolarHBondContact OD1-CG2 3.45Å; D64-V66 PolarHBondContact OD1-N 3.07Å; V66-L69 PolarHBondContact O-N 3.15Å; V66-A70 WeakPolarHBondContact O-CB 3.45Å; V66-A70 PolarHBondContact O-N 3.07Å
67V96.4Very high94Very high0 Ų043 Ų430%024%0.24CC..Hα-helixtrans-74.6-37.7-179.8-168.30000110.2F27 I57 L59 D64 P65 A71 V81F27-V67 HydrophobicContact CE2-CG1 4.34Å; F27-V67 HydrophobicContact CZ-CG1 3.96Å; I57-V67 HydrophobicContact CG2-CG2 3.67Å; L59-V67 HydrophobicContact CD2-CG1 4.38Å; L59-V67 HydrophobicContact CG-CG1 4.49Å; L59-V67 HydrophobicContact CG-CG2 4.25Å; D64-V67 HydrophobicContact CB-CG2 4.15Å; D64-V67 WeakPolarHBondContact O-CB 3.31Å; D64-V67 PolarHBondContact O-N 2.85Å; P65-V67 VanDerWaalsContact C-N 3.26Å; P65-V67 PolarHBondContact O-N 3.02Å; V67-A71 WeakPolarHBondContact O-CB 3.49Å; V67-A71 PolarHBondContact O-N 3.24Å; V67-A71 VanDerWaalsContact O-N 3.08Å; V67-V81 HydrophobicContact CG1-CG1 4.45Å
68E95.8Very high93.9Very high65 Ų6543.9 Ų43.930%0.30425%0.246SC..Hα-helixtrans-64.3-45170.5-62.8-163-175.900112.3R63 P65 A70 A71 K72 T78R63-E68 HydrophobicContact CG-CG 3.72Å; P65-E68 PolarHBondContact O-N 3.21Å; E68-A70 VanDerWaalsContact C-N 3.33Å; E68-A70 PolarHBondContact O-N 3.24Å; E68-A71 PolarHBondContact O-N 3.01Å; E68-K72 WeakPolarHBondContact O-CB 3.46Å; E68-K72 WeakPolarHBondContact O-CD 3.3Å; E68-K72 VanDerWaalsContact O-CG 3.27Å; E68-K72 WeakPolarHBondContact O-CG 3.42Å; E68-K72 PolarHBondContact O-N 2.86Å; E68-K72 IonicContact OE2-NZ 3.03Å; E68-K72 PolarHBondContact OE2-NZ 3.06Å; E68-T78 HydrophobicContact CB-CG2 4.39Å; E68-T78 HydrophobicContact CG-CG2 3.88Å
69L97.9Very high93.8Very high66 Ų6646.2 Ų46.235%0.34626%0.257SS..Hα-helixtrans-64.8-40-178.1-175.859.5000111.3I34 P65 V66 R73I34-L69 HydrophobicContact CD1-CB 4.03Å; I34-L69 HydrophobicContact CD1-CD2 3.94Å; I34-L69 HydrophobicContact CD1-CG 3.81Å; I34-L69 HydrophobicContact CG1-CD2 4.27Å; P65-L69 WeakPolarHBondContact O-CB 3.18Å; P65-L69 PolarHBondContact O-N 2.82Å; V66-L69 PolarHBondContact O-N 3.15Å; L69-R73 WeakPolarHBondContact O-CB 2.95Å; L69-R73 WeakPolarHBondContact O-CG 3.42Å; L69-R73 PolarHBondContact O-N 3.37Å
70A98.3Very high93.9Very high0 Ų050.3 Ų50.30%028%0.276CS..Hα-helixtrans-64-42.917300000112.4F27 E30 L31 I34 V66 E68 R73 S74F27-A70 HydrophobicContact CD2-CB 3.82Å; F27-A70 HydrophobicContact CE2-CB 3.66Å; F27-A70 HydrophobicContact CZ-CB 4.4Å; E30-A70 HydrophobicContact CB-CB 4.38Å; L31-A70 HydrophobicContact CB-CB 3.75Å; L31-A70 HydrophobicContact CD1-CB 4.16Å; L31-A70 HydrophobicContact CG-CB 4.48Å; I34-A70 HydrophobicContact CD1-CB 4.1Å; V66-A70 WeakPolarHBondContact O-CB 3.45Å; V66-A70 PolarHBondContact O-N 3.07Å; E68-A70 VanDerWaalsContact C-N 3.33Å; E68-A70 PolarHBondContact O-N 3.24Å; A70-R73 PolarHBondContact O-N 3.48Å; A70-S74 WeakPolarHBondContact O-CB 3.43Å; A70-S74 PolarHBondContact O-N 3.09Å; A70-S74 PolarHBondContact O-OG 3.06Å
71A97.5Very high94.7Very high0 Ų050.2 Ų50.20%028%0.275CS..Hα-helixtrans-61.1-50.8175.700000111.4F27 V67 E68 R73 S74 G75 L76 V81F27-A71 HydrophobicContact CD2-CB 4.32Å; F27-A71 HydrophobicContact CE2-CB 4.18Å; V67-A71 WeakPolarHBondContact O-CB 3.49Å; V67-A71 PolarHBondContact O-N 3.24Å; V67-A71 VanDerWaalsContact O-N 3.08Å; E68-A71 PolarHBondContact O-N 3.01Å; A71-R73 VanDerWaalsContact C-N 3.29Å; A71-R73 PolarHBondContact O-N 2.92Å; A71-S74 PolarHBondContact O-N 2.93Å; A71-S74 PolarHBondContact O-OG 3.3Å; A71-S74 VanDerWaalsContact O-OG 3.09Å; A71-G75 PolarHBondContact O-N 3.48Å; A71-L76 CarbonylContact C-O 3.44Å; A71-L76 HydrophobicContact CB-CB 4.3Å; A71-L76 PolarHBondContact O-N 2.82Å; A71-L76 VanDerWaalsContact O-O 3.14Å; A71-V81 HydrophobicContact CB-CG2 4.07Å
72K97.8Very high95.3Very high124 Ų12452.8 Ų52.854%0.53927%0.273SS..Hα-helixtrans-58.3-38.5179.1-71161.4-176.8166.30112.1E68 G75E68-K72 WeakPolarHBondContact O-CB 3.46Å; E68-K72 WeakPolarHBondContact O-CD 3.3Å; E68-K72 VanDerWaalsContact O-CG 3.27Å; E68-K72 WeakPolarHBondContact O-CG 3.42Å; E68-K72 PolarHBondContact O-N 2.86Å; E68-K72 IonicContact OE2-NZ 3.03Å; E68-K72 PolarHBondContact OE2-NZ 3.06Å; K72-G75 PolarHBondContact O-N 2.83Å
73R98.4Very high95.8Very high121 Ų12150.9 Ų50.946%0.45727%0.268SS..Hα-helixtrans-80-32.3179.4-71.8-177.1-178.81441.1114.9E30 L69 A70 A71 G75E30-R73 HydrophobicContact CB-CB 4.36Å; E30-R73 HydrophobicContact CG-CB 3.75Å; E30-R73 WeakPolarHBondContact OE2-CD 3.38Å; E30-R73 IonicContact OE2-CZ 3.8Å; E30-R73 IonicContact OE2-NE 2.95Å; E30-R73 IonicContact OE2-NH1 3.89Å; E30-R73 PolarHBondContact OE2-NH1 3.21Å; L69-R73 WeakPolarHBondContact O-CB 2.95Å; L69-R73 WeakPolarHBondContact O-CG 3.42Å; L69-R73 PolarHBondContact O-N 3.37Å; A70-R73 PolarHBondContact O-N 3.48Å; A71-R73 VanDerWaalsContact C-N 3.29Å; A71-R73 PolarHBondContact O-N 2.92Å; R73-G75 PolarHBondContact O-N 3.45Å
74S98.1Very high96.2Very high9 Ų951.8 Ų51.86%0.06328%0.275CS..Hα-helixtrans-76.8-1.2169.166.40000113.1F27 A70 A71 L76F27-S74 VanDerWaalsContact N-CB 3.34Å; A70-S74 WeakPolarHBondContact O-CB 3.43Å; A70-S74 PolarHBondContact O-N 3.09Å; A70-S74 PolarHBondContact O-OG 3.06Å; A71-S74 PolarHBondContact O-N 2.93Å; A71-S74 PolarHBondContact O-OG 3.3Å; A71-S74 VanDerWaalsContact O-OG 3.09Å; S74-L76 PolarHBondContact O-N 3.23Å; S74-L76 WeakPolarHBondContact OG-CG 3.46Å
75G97.5Very high96.3Very high46 Ų4651.3 Ų51.347%0.47427%0.273SS..THydrogen-bonded Turntrans68.116.1-176.700000113.3R23 A71 K72 R73R23-G75 PolarHBondContact NE-O 3.33Å; R23-G75 PolarHBondContact NH2-O 3.36Å; A71-G75 PolarHBondContact O-N 3.48Å; K72-G75 PolarHBondContact O-N 2.83Å; R73-G75 PolarHBondContact O-N 3.45Å
76L97.4Very high96.2Very high6 Ų648 Ų483%0.03125%0.251CS..  trans-75.2145.3171-72.5177.9000110.7L19 R23 F27 A71 S74 V81L19-L76 HydrophobicContact CB-CD2 4.27Å; L19-L76 HydrophobicContact CD1-CD1 4.02Å; L19-L76 HydrophobicContact CD1-CD2 4.02Å; R23-L76 HydrophobicContact CB-CD2 3.58Å; R23-L76 HydrophobicContact CB-CG 4.01Å; R23-L76 HydrophobicContact CG-CD2 4.46Å; F27-L76 HydrophobicContact CB-CD1 3.73Å; F27-L76 HydrophobicContact CD2-CD1 4.16Å; F27-L76 HydrophobicContact CG-CD1 4.05Å; A71-L76 CarbonylContact C-O 3.44Å; A71-L76 HydrophobicContact CB-CB 4.3Å; A71-L76 PolarHBondContact O-N 2.82Å; A71-L76 VanDerWaalsContact O-O 3.14Å; S74-L76 PolarHBondContact O-N 3.23Å; S74-L76 WeakPolarHBondContact OG-CG 3.46Å; L76-V81 HydrophobicContact CB-CG2 3.82Å; L76-V81 HydrophobicContact CD1-CG2 3.68Å; L76-V81 HydrophobicContact CG-CG2 4.35Å
77D96Very high95.8Very high81 Ų8151 Ų5143%0.43328%0.277SS..  trans-70.2144167.9178.3-96.9000110.4E79 E80 V81D77-E79 WeakPolarHBondContact OD1-CA 3.42Å; D77-E79 WeakPolarHBondContact OD1-CB 3.37Å; D77-E79 PolarHBondContact OD1-N 3.06Å; D77-E80 HydrophobicContact CB-CB 3.95Å; D77-E80 HydrophobicContact CB-CG 3.84Å; D77-E80 PolarHBondContact OD1-N 3.23Å; D77-V81 WeakPolarHBondContact O-CG2 3.48Å; D77-V81 PolarHBondContact O-N 2.9Å; D77-V81 VanDerWaalsContact O-N 3.14Å
78T94.3Very high95.6Very high19 Ų1955.1 Ų55.112%0.11730%0.297CS..Hα-helixtrans-74.5-35.2-173.6-58.60000111.9E68 R82E68-T78 HydrophobicContact CB-CG2 4.39Å; E68-T78 HydrophobicContact CG-CG2 3.88Å; T78-R82 WeakPolarHBondContact O-CB 3.4Å; T78-R82 PolarHBondContact O-N 2.88Å
79E94.5Very high95.6Very high100 Ų10052 Ų5247%0.46728%0.282SS..Hα-helixtrans-78-31.9175.6-62.5-56.9122.300111.2D77 V81 R82 A83D77-E79 WeakPolarHBondContact OD1-CA 3.42Å; D77-E79 WeakPolarHBondContact OD1-CB 3.37Å; D77-E79 PolarHBondContact OD1-N 3.06Å; E79-V81 PolarHBondContact O-N 2.91Å; E79-R82 PolarHBondContact O-N 3.45Å; E79-R82 IonicContact OE1-NH1 2.73Å; E79-R82 WeakPolarHBondContact OE2-CD 3.42Å; E79-R82 IonicContact OE2-CZ 2.72Å; E79-R82 IonicContact OE2-NE 2.81Å; E79-R82 IonicContact OE2-NH1 3.83Å; E79-R82 PolarHBondContact OE2-NH1 2.81Å; E79-A83 VanDerWaalsContact O-CB 3.26Å; E79-A83 WeakPolarHBondContact O-CB 3.14Å; E79-A83 PolarHBondContact O-N 2.65Å
80E94.7Very high95.6Very high85 Ų8549.7 Ų49.740%0.39727%0.271SS..Hα-helixtrans-57.7-45.3168-78.5-173.5158.400112L19 D77 N84L19-E80 HydrophobicContact CD2-CB 4.06Å; D77-E80 HydrophobicContact CB-CB 3.95Å; D77-E80 HydrophobicContact CB-CG 3.84Å; D77-E80 PolarHBondContact OD1-N 3.23Å; E80-N84 PolarHBondContact O-ND2 3.41Å
81V95.5Very high95.6Very high0 Ų049.7 Ų49.70%027%0.271CS..Hα-helixtrans-64.1-45.3175.7171.50000110.5L15 L19 F27 V67 A71 L76 D77 E79 A83 N84 V85L15-V81 HydrophobicContact CD2-CG1 4.37Å; L19-V81 HydrophobicContact CD1-CG2 4.08Å; F27-V81 HydrophobicContact CE2-CG1 4.16Å; F27-V81 HydrophobicContact CE2-CG2 4.48Å; F27-V81 HydrophobicContact CZ-CG1 4.08Å; V67-V81 HydrophobicContact CG1-CG1 4.45Å; A71-V81 HydrophobicContact CB-CG2 4.07Å; L76-V81 HydrophobicContact CB-CG2 3.82Å; L76-V81 HydrophobicContact CD1-CG2 3.68Å; L76-V81 HydrophobicContact CG-CG2 4.35Å; D77-V81 WeakPolarHBondContact O-CG2 3.48Å; D77-V81 PolarHBondContact O-N 2.9Å; D77-V81 VanDerWaalsContact O-N 3.14Å; E79-V81 PolarHBondContact O-N 2.91Å; V81-A83 PolarHBondContact O-N 2.95Å; V81-N84 PolarHBondContact O-N 2.85Å; V81-V85 PolarHBondContact O-N 3.08Å
82R93.9Very high95.6Very high108 Ų10852.3 Ų52.341%0.40828%0.281SS..Hα-helixtrans-60-43.5178.3-175.4-165.9176.3174.5-0.1112.7T78 E79 N84 V85T78-R82 WeakPolarHBondContact O-CB 3.4Å; T78-R82 PolarHBondContact O-N 2.88Å; E79-R82 PolarHBondContact O-N 3.45Å; E79-R82 IonicContact OE1-NH1 2.73Å; E79-R82 WeakPolarHBondContact OE2-CD 3.42Å; E79-R82 IonicContact OE2-CZ 2.72Å; E79-R82 IonicContact OE2-NE 2.81Å; E79-R82 IonicContact OE2-NH1 3.83Å; E79-R82 PolarHBondContact OE2-NH1 2.81Å; R82-N84 PolarHBondContact O-N 2.74Å; R82-V85 WeakPolarHBondContact O-CG2 3.2Å; R82-V85 PolarHBondContact O-N 2.78Å
83A94.6Very high95.7Very high82 Ų8246.4 Ų46.468%0.67826%0.256SS*.Hα-helixtrans-68.7-16.9-175.800000113.8E79 V81E79-A83 VanDerWaalsContact O-CB 3.26Å; E79-A83 WeakPolarHBondContact O-CB 3.14Å; E79-A83 PolarHBondContact O-N 2.65Å; V81-A83 PolarHBondContact O-N 2.95Å
84N95.8Very high95.7Very high45 Ų4540.9 Ų40.924%0.24124%0.235CC..Hα-helixtrans-103-12.9-179.2-71.6-73000114.1L15 K18 E80 V81 R82L15-N84 HydrophobicContact CD2-CB 4.08Å; K18-N84 HydrophobicContact CB-CB 4.31Å; K18-N84 VanDerWaalsContact CB-OD1 3.24Å; K18-N84 WeakPolarHBondContact CB-OD1 3.43Å; K18-N84 WeakPolarHBondContact CD-OD1 3.11Å; K18-N84 HydrophobicContact CG-CB 4.43Å; K18-N84 VanDerWaalsContact CG-OD1 3.25Å; K18-N84 WeakPolarHBondContact CG-OD1 3.43Å; E80-N84 PolarHBondContact O-ND2 3.41Å; V81-N84 PolarHBondContact O-N 2.85Å; R82-N84 PolarHBondContact O-N 2.74Å
85V94.8Very high95.7Very high12 Ų1240.6 Ų40.67%0.07323%0.233CC..SBendtrans-95155.3172-62.60000111L15 L59 V81 R82 A87L15-V85 HydrophobicContact CD2-CG1 4.07Å; L59-V85 HydrophobicContact CB-CG2 4.16Å; L59-V85 HydrophobicContact CD2-CG1 4.18Å; V81-V85 PolarHBondContact O-N 3.08Å; R82-V85 WeakPolarHBondContact O-CG2 3.2Å; R82-V85 PolarHBondContact O-N 2.78Å; V85-A87 PolarHBondContact O-N 3.35Å
86P94.9Very high95.6Very high25 Ų2540.2 Ų40.216%0.16222%0.218CC..  trans-60.4136.6174.7-18.430.1000111.4Y14 E88 L89 I102Y14-P86 HydrophobicContact CD1-CG 4.24Å; Y14-P86 HydrophobicContact CE1-CG 3.67Å; Y14-P86 HydrophobicContact CE2-CG 4.43Å; P86-E88 PolarHBondContact O-N 2.89Å; P86-L89 HydrophobicContact CB-CB 4.15Å; P86-L89 HydrophobicContact CG-CB 4.37Å; P86-L89 HydrophobicContact CG-CD2 4.49Å; P86-L89 WeakPolarHBondContact O-CB 3.49Å; P86-L89 PolarHBondContact O-N 3.43Å; P86-I102 HydrophobicContact CB-CD1 4.18Å; P86-I102 HydrophobicContact CB-CG1 4.17Å; P86-I102 HydrophobicContact CB-CG2 3.7Å; P86-I102 HydrophobicContact CG-CD1 3.82Å; P86-I102 HydrophobicContact CG-CG1 4.24Å; P86-I102 HydrophobicContact CG-CG2 4.5Å
87A87.3Confident95.7Very high77 Ų7742.9 Ų42.964%0.63623%0.23SC*.THydrogen-bonded Turntrans-62.3-18.3-167.700000115.7G60 V85G60-A87 WeakPolarHBondContact CA-O 3.45Å; V85-A87 PolarHBondContact O-N 3.35Å
88E92.1Very high95.8Very high87 Ų8739 Ų3941%0.40721%0.209SC..THydrogen-bonded Turntrans-135.345.3-178.8-73.3162.8-14200109.4P86 I102 G103 E104P86-E88 PolarHBondContact O-N 2.89Å; E88-I102 WeakPolarHBondContact O-CA 3.15Å; E88-G103 PolarHBondContact O-N 3.47Å; E88-G103 WeakPolarHBondContact OE2-CA 3.46Å; E88-E104 PolarHBondContact OE2-N 3.42Å
89L96.4Very high96Very high0 Ų038.4 Ų38.40%021%0.205CC..EExtended strand (participates in β ladder)trans-83.5119.4175.5175.462.1000111.3F10 Y14 L59 P86 V91 Y100 Q101 I102F10-L89 HydrophobicContact CE1-CD1 3.94Å; F10-L89 HydrophobicContact CE1-CD2 4.18Å; F10-L89 HydrophobicContact CZ-CD1 4.31Å; Y14-L89 HydrophobicContact CE2-CD2 4.23Å; L59-L89 HydrophobicContact CB-CB 4.36Å; L59-L89 HydrophobicContact CB-CD2 4.45Å; L59-L89 HydrophobicContact CD1-CD2 4.05Å; L59-L89 HydrophobicContact CD1-CG 4.09Å; L59-L89 HydrophobicContact CD2-CD2 4.4Å; L59-L89 PolarHBondContact N-O 2.97Å; P86-L89 HydrophobicContact CB-CB 4.15Å; P86-L89 HydrophobicContact CG-CB 4.37Å; P86-L89 HydrophobicContact CG-CD2 4.49Å; P86-L89 WeakPolarHBondContact O-CB 3.49Å; P86-L89 PolarHBondContact O-N 3.43Å; L89-V91 HydrophobicContact CD1-CG2 3.99Å; L89-V91 HydrophobicContact CD2-CG2 4.38Å; L89-V91 HydrophobicContact CG-CG2 4.1Å; L89-Y100 HydrophobicContact CD1-CD2 3.93Å; L89-Y100 HydrophobicContact CD1-CG 4.47Å; L89-Q101 WeakPolarHBondContact CA-O 3.39Å; L89-I102 HydrophobicContact CD1-CD1 4.48Å; L89-I102 HydrophobicContact CD1-CG1 3.76Å
90S97.4Very high96.2Very high17 Ų1735.2 Ų35.212%0.11919%0.19CC..EExtended strand (participates in β ladder)trans-112.2139.5166.2-62.40000109.9I57 H58 Y100 Q101I57-S90 CarbonylContact O-C 3.49Å; I57-S90 WeakPolarHBondContact O-CA 3.39Å; H58-S90 PolarHBondContact ND1-OG 3.39Å; S90-Y100 CarbonylContact O-C 3.59Å; S90-Y100 WeakPolarHBondContact O-CA 3.37Å; S90-Y100 WeakPolarHBondContact O-CB 3.43Å; S90-Q101 PolarHBondContact N-O 2.96Å; S90-Q101 PolarHBondContact O-N 3.26Å
91V98.4Very high96.4Very high0 Ų033.2 Ų33.20%018%0.18CC..EExtended strand (participates in β ladder)trans-129.9123.1176.5-174.80000109.6A7 F10 I11 C56 I57 L59 L89 I93 V98 S99A7-V91 HydrophobicContact CB-CG1 4.12Å; F10-V91 HydrophobicContact CD1-CG2 4.4Å; F10-V91 HydrophobicContact CE1-CG2 4.21Å; I11-V91 HydrophobicContact CD1-CG2 4.34Å; I11-V91 HydrophobicContact CG1-CG2 4.33Å; C56-V91 CarbonylContact C-O 3.57Å; C56-V91 WeakPolarHBondContact CA-O 3.2Å; I57-V91 PolarHBondContact N-O 2.63Å; I57-V91 PolarHBondContact O-N 3.11Å; L59-V91 HydrophobicContact CD1-CG2 4.13Å; L89-V91 HydrophobicContact CD1-CG2 3.99Å; L89-V91 HydrophobicContact CD2-CG2 4.38Å; L89-V91 HydrophobicContact CG-CG2 4.1Å; V91-I93 HydrophobicContact CG1-CG1 4.18Å; V91-V98 HydrophobicContact CG1-CG1 4.23Å; V91-S99 CarbonylContact C-O 3.35Å; V91-S99 WeakPolarHBondContact CA-O 3.21Å
92W98.6Very high96.4Very high55 Ų5536.5 Ų36.521%0.20820%0.197CC..EExtended strand (participates in β ladder)trans-94.6136.1171.1-63.8-95.3000109.4C56 V98 S99 Q101 V108C56-W92 HydrophobicContact CB-CG 4.34Å; W92-V98 WeakPolarHBondContact O-CA 3.39Å; W92-S99 PolarHBondContact N-O 3.21Å; W92-S99 PolarHBondContact O-N 3.42Å; W92-Q101 HydrophobicContact CH2-CB 3.8Å; W92-Q101 HydrophobicContact CZ3-CB 3.62Å; W92-V108 HydrophobicContact CZ3-CG2 4.49Å
93I98.6Very high96.4Very high0 Ų032.1 Ų32.10%019%0.186CC..EExtended strand (participates in β ladder)trans-129.393.3-179.6-47.5180000106.2E3 V4 A7 L35 F39 W43 R55 I57 V91 V98E3-I93 HydrophobicContact CB-CG2 3.98Å; V4-I93 HydrophobicContact CG2-CG2 4.08Å; A7-I93 HydrophobicContact CB-CD1 3.4Å; A7-I93 VanDerWaalsContact CB-CD1 3.4Å; A7-I93 HydrophobicContact CB-CG1 3.74Å; L35-I93 HydrophobicContact CD1-CD1 4.3Å; F39-I93 HydrophobicContact CE2-CB 3.91Å; F39-I93 HydrophobicContact CE2-CD1 4.12Å; F39-I93 HydrophobicContact CE2-CG2 4.06Å; F39-I93 HydrophobicContact CZ-CB 4.34Å; F39-I93 HydrophobicContact CZ-CD1 4.2Å; W43-I93 HydrophobicContact CH2-CG2 4.3Å; W43-I93 HydrophobicContact CZ3-CG2 4.33Å; W43-I93 WeakPolarHBondContact CZ3-O 3.19Å; R55-I93 WeakPolarHBondContact CD-O 3.25Å; R55-I93 PolarHBondContact NE-O 3.45Å; I57-I93 HydrophobicContact CD1-CD1 3.58Å; I57-I93 HydrophobicContact CG1-CD1 4.43Å; V91-I93 HydrophobicContact CG1-CG1 4.18Å; I93-V98 HydrophobicContact CG2-CG2 4.42Å
94D98.4Very high96.1Very high5 Ų536 Ų363%0.02719%0.19CC..EExtended strand (participates in β ladder)trans-116.4159.5-173.8-65.6-17.2000109.2S52 R55 Y96 E97S52-D94 WeakPolarHBondContact CA-OD1 3.26Å; S52-D94 WeakPolarHBondContact CB-OD1 3.37Å; S52-D94 WeakPolarHBondContact CB-OD2 3.31Å; S52-D94 PolarHBondContact OG-OD1 2.85Å; S52-D94 PolarHBondContact OG-OD2 2.61Å; R55-D94 IonicContact CZ-OD1 2.88Å; R55-D94 IonicContact NE-OD1 3.35Å; R55-D94 PolarHBondContact NE-OD1 3.31Å; R55-D94 VanDerWaalsContact NH2-CG 3.27Å; R55-D94 IonicContact NH2-OD1 2.67Å; R55-D94 PolarHBondContact NH2-OD1 2.73Å; D94-Y96 PolarHBondContact O-N 3.28Å; D94-E97 CarbonylContact C-O 3.55Å; D94-E97 PolarHBondContact N-O 3.21Å; D94-E97 PolarHBondContact O-N 2.92Å
95P97.8Very high95.9Very high3 Ų343.6 Ų43.62%0.01922%0.221CC..THydrogen-bonded Turntrans-53.3127.9172.1-24.532.6000110.7W43 P45 P48 E97W43-P95 HydrophobicContact CD2-CG 4.06Å; W43-P95 HydrophobicContact CG-CG 4.43Å; W43-P95 HydrophobicContact CH2-CG 4.46Å; W43-P95 HydrophobicContact CZ2-CB 4.11Å; W43-P95 HydrophobicContact CZ2-CG 3.95Å; P45-P95 HydrophobicContact CB-CB 4.26Å; P48-P95 HydrophobicContact CB-CB 4.08Å; P48-P95 HydrophobicContact CB-CG 4.23Å; P48-P95 HydrophobicContact CG-CB 4.24Å; P95-E97 PolarHBondContact O-N 2.67Å
96Y97.3Very high95.9Very high38 Ų3844 Ų4415%0.14923%0.228CC..THydrogen-bonded Turntrans64.8-9-177.6-31.7-71.2000117.2E3 P45 P48 D94 L113 E114 P116 P117E3-Y96 PolarHBondContact OE1-N 3.39Å; P45-Y96 HydrophobicContact CB-CE2 4.27Å; P45-Y96 WeakPolarHBondContact CB-OH 3.13Å; P45-Y96 WeakPolarHBondContact O-CE2 3.47Å; P48-Y96 HydrophobicContact CG-CD2 3.99Å; P48-Y96 HydrophobicContact CG-CE2 4.11Å; D94-Y96 PolarHBondContact O-N 3.28Å; Y96-L113 CarbonylContact O-C 3.49Å; Y96-L113 VanDerWaalsContact O-CA 3.26Å; Y96-L113 WeakPolarHBondContact O-CA 3.21Å; Y96-E114 WeakPolarHBondContact CB-O 3.34Å; Y96-E114 PolarHBondContact O-N 3.43Å; Y96-P116 HydrophobicContact CD2-CB 4.01Å; Y96-P116 HydrophobicContact CD2-CG 3.76Å; Y96-P116 HydrophobicContact CE2-CB 3.75Å; Y96-P116 HydrophobicContact CE2-CG 4Å; Y96-P116 HydrophobicContact CG-CG 4.28Å; Y96-P117 VanDerWaalsContact CE1-CD 3.45Å; Y96-P117 HydrophobicContact CE1-CG 4.31Å
97E98Very high96Very high62 Ų6246.4 Ų46.429%0.2925%0.25SC..EExtended strand (participates in β ladder)trans-130.3132.8178.3-165.2-170.6123.300112.5D94 P95 S99 V110 Y112 L113D94-E97 CarbonylContact C-O 3.55Å; D94-E97 PolarHBondContact N-O 3.21Å; D94-E97 PolarHBondContact O-N 2.92Å; P95-E97 PolarHBondContact O-N 2.67Å; E97-S99 WeakPolarHBondContact OE1-CB 3.44Å; E97-S99 PolarHBondContact OE1-OG 2.92Å; E97-V110 HydrophobicContact CG-CG1 4.47Å; E97-Y112 WeakPolarHBondContact CA-O 3.31Å; E97-L113 HydrophobicContact CB-CD1 4.22Å; E97-L113 HydrophobicContact CG-CD1 4.2Å
98V98.8Very high96.5Very high0 Ų046.8 Ų46.80%024%0.244CC..EExtended strand (participates in β ladder)trans-120.9121.7162-174.50000108.1E3 V6 A7 V91 W92 I93 L111 Y112E3-V98 HydrophobicContact CB-CG2 3.63Å; E3-V98 HydrophobicContact CG-CG2 4.37Å; E3-V98 WeakPolarHBondContact O-CG2 3.49Å; V6-V98 HydrophobicContact CB-CG2 4.45Å; A7-V98 HydrophobicContact CB-CG1 3.81Å; V91-V98 HydrophobicContact CG1-CG1 4.23Å; W92-V98 WeakPolarHBondContact O-CA 3.39Å; I93-V98 HydrophobicContact CG2-CG2 4.42Å; V98-L111 HydrophobicContact CB-CB 4.37Å; V98-L111 HydrophobicContact CG1-CB 4.29Å; V98-L111 HydrophobicContact CG1-CD1 4.1Å; V98-L111 WeakPolarHBondContact O-CA 3.5Å; V98-L111 PolarHBondContact O-N 3.39Å; V98-Y112 HydrophobicContact CG2-CD1 4.36Å; V98-Y112 PolarHBondContact N-O 3.19Å; V98-Y112 PolarHBondContact O-N 3.4Å; V98-Y112 VanDerWaalsContact O-N 3.1Å
99S98.7Very high96.8Very high5 Ų548.4 Ų48.44%0.03525%0.249CC..EExtended strand (participates in β ladder)trans-137161179.455.10000111.6V91 W92 E97 K109V91-S99 CarbonylContact C-O 3.35Å; V91-S99 WeakPolarHBondContact CA-O 3.21Å; W92-S99 PolarHBondContact N-O 3.21Å; W92-S99 PolarHBondContact O-N 3.42Å; E97-S99 WeakPolarHBondContact OE1-CB 3.44Å; E97-S99 PolarHBondContact OE1-OG 2.92Å; S99-K109 CarbonylContact C-O 3.55Å; S99-K109 WeakPolarHBondContact CA-O 3.44Å; S99-K109 WeakPolarHBondContact CB-O 3.37Å
100Y98.5Very high96.9Very high34 Ų3452.3 Ų52.313%0.13327%0.273CS..EExtended strand (participates in β ladder)trans-144.5158.5-176.575.9-78.1000112.3F10 L89 S90 I102 V108 K109 L111F10-Y100 HydrophobicContact CE1-CD1 4.31Å; F10-Y100 HydrophobicContact CE1-CD2 4.01Å; F10-Y100 AromaticContact CE1-CG 3.86Å; F10-Y100 HydrophobicContact CE1-CG 3.86Å; F10-Y100 HydrophobicContact CE2-CD2 4.5Å; F10-Y100 HydrophobicContact CE2-CE1 4.25Å; F10-Y100 HydrophobicContact CE2-CE2 4.27Å; F10-Y100 HydrophobicContact CZ-CD1 4.04Å; F10-Y100 AromaticContact CZ-CD2 3.54Å; F10-Y100 HydrophobicContact CZ-CD2 3.54Å; F10-Y100 HydrophobicContact CZ-CE1 4.12Å; F10-Y100 AromaticContact CZ-CE2 3.66Å; F10-Y100 HydrophobicContact CZ-CE2 3.66Å; F10-Y100 AromaticContact CZ-CG 3.73Å; F10-Y100 HydrophobicContact CZ-CG 3.73Å; F10-Y100 AromaticContact CZ-CZ 3.93Å; L89-Y100 HydrophobicContact CD1-CD2 3.93Å; L89-Y100 HydrophobicContact CD1-CG 4.47Å; S90-Y100 CarbonylContact O-C 3.59Å; S90-Y100 WeakPolarHBondContact O-CA 3.37Å; S90-Y100 WeakPolarHBondContact O-CB 3.43Å; Y100-I102 HydrophobicContact CD2-CD1 4.13Å; Y100-I102 HydrophobicContact CD2-CG1 3.93Å; Y100-I102 HydrophobicContact CE2-CD1 3.74Å; Y100-I102 HydrophobicContact CE2-CG1 3.99Å; Y100-V108 CarbonylContact O-C 3.04Å; Y100-V108 WeakPolarHBondContact O-CA 3.37Å; Y100-K109 HydrophobicContact CD1-CB 3.94Å; Y100-K109 WeakPolarHBondContact CD1-O 3.34Å; Y100-K109 HydrophobicContact CE1-CB 3.43Å; Y100-K109 VanDerWaalsContact CE1-CB 3.43Å; Y100-K109 HydrophobicContact CE1-CD 4.34Å; Y100-K109 HydrophobicContact CE2-CB 4.41Å; Y100-K109 HydrophobicContact CE2-CD 4.34Å; Y100-K109 PolarHBondContact N-O 3.34Å; Y100-K109 PolarHBondContact O-N 2.64Å; Y100-K109 VanDerWaalsContact OH-CD 3.31Å; Y100-K109 WeakPolarHBondContact OH-CD 3.45Å; Y100-L111 HydrophobicContact CD1-CD1 3.7Å; Y100-L111 HydrophobicContact CD1-CD2 3.84Å; Y100-L111 HydrophobicContact CD1-CG 3.55Å; Y100-L111 HydrophobicContact CE1-CD1 4.31Å; Y100-L111 HydrophobicContact CE1-CD2 3.57Å; Y100-L111 HydrophobicContact CE1-CG 3.81Å; Y100-L111 HydrophobicContact CG-CD1 4.38Å
101Q97.8Very high96.9Very high42 Ų4254.3 Ų54.320%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-131.3138.1173.5-174.6-175.832.300108.2L89 S90 W92 G106 V108L89-Q101 WeakPolarHBondContact CA-O 3.39Å; S90-Q101 PolarHBondContact N-O 2.96Å; S90-Q101 PolarHBondContact O-N 3.26Å; W92-Q101 HydrophobicContact CH2-CB 3.8Å; W92-Q101 HydrophobicContact CZ3-CB 3.62Å; Q101-G106 WeakPolarHBondContact CG-O 3.38Å; Q101-G106 PolarHBondContact NE2-O 3.08Å; Q101-V108 HydrophobicContact CB-CG2 4.45Å
102I96.4Very high96.9Very high69 Ų6957.4 Ų57.435%0.35429%0.294SS..EExtended strand (participates in β ladder)trans-118.9116.9169.9-63.9170.5000107.6P86 E88 L89 Y100 G106P86-I102 HydrophobicContact CB-CD1 4.18Å; P86-I102 HydrophobicContact CB-CG1 4.17Å; P86-I102 HydrophobicContact CB-CG2 3.7Å; P86-I102 HydrophobicContact CG-CD1 3.82Å; P86-I102 HydrophobicContact CG-CG1 4.24Å; P86-I102 HydrophobicContact CG-CG2 4.5Å; E88-I102 WeakPolarHBondContact O-CA 3.15Å; L89-I102 HydrophobicContact CD1-CD1 4.48Å; L89-I102 HydrophobicContact CD1-CG1 3.76Å; Y100-I102 HydrophobicContact CD2-CD1 4.13Å; Y100-I102 HydrophobicContact CD2-CG1 3.93Å; Y100-I102 HydrophobicContact CE2-CD1 3.74Å; Y100-I102 HydrophobicContact CE2-CG1 3.99Å; I102-G106 VanDerWaalsContact O-CA 3.3Å; I102-G106 WeakPolarHBondContact O-CA 3.14Å
103G94.1Very high96.8Very high17 Ų1760.2 Ų60.218%0.17531%0.313CS..SBendtrans94.1144.3-178.200000112.7E88 K105 G106E88-G103 PolarHBondContact O-N 3.47Å; E88-G103 WeakPolarHBondContact OE2-CA 3.46Å; G103-K105 PolarHBondContact O-N 3.04Å; G103-K105 VanDerWaalsContact O-N 3.08Å; G103-G106 PolarHBondContact O-N 3.27Å
104E88.8Confident96.6Very high163 Ų16364.8 Ų64.876%0.76233%0.334SS*.THydrogen-bonded Turntrans-50.4-34.5174.3-72.2-178169.700112.9E88E88-E104 PolarHBondContact OE2-N 3.42Å
105K91.3Very high96.2Very high204 Ų20471.4 Ų71.489%0.88737%0.37SS*.THydrogen-bonded Turntrans-107.414.2179.1-56.7-170.3-179.1-173.90113.2G103G103-K105 PolarHBondContact O-N 3.04Å; G103-K105 VanDerWaalsContact O-N 3.08Å
106G94.2Very high95.5Very high22 Ų2273.5 Ų73.523%0.22738%0.383CS..PPolyproline II helixtrans-66.9146176.800000111.7Q101 I102 G103Q101-G106 WeakPolarHBondContact CG-O 3.38Å; Q101-G106 PolarHBondContact NE2-O 3.08Å; I102-G106 VanDerWaalsContact O-CA 3.3Å; I102-G106 WeakPolarHBondContact O-CA 3.14Å; G103-G106 PolarHBondContact O-N 3.27Å
107A96.8Very high94.4Very high75 Ų7577 Ų7762%0.6241%0.411SS*.PPolyproline II helixtrans-70.5140.9165.300000109.8
108V97.9Very high92.8Very high85 Ų8577.7 Ų77.752%0.51544%0.435SS..PPolyproline II helixtrans-69.1135.4168.7-177.60000108.6W92 Y100 Q101W92-V108 HydrophobicContact CZ3-CG2 4.49Å; Y100-V108 CarbonylContact O-C 3.04Å; Y100-V108 WeakPolarHBondContact O-CA 3.37Å; Q101-V108 HydrophobicContact CB-CG2 4.45Å
109K98.3Very high90.9Very high120 Ų12084.5 Ų84.552%0.52247%0.47SS..EExtended strand (participates in β ladder)trans-127.3136.4-179.5-72.4-179.8177.4-177.40110S99 Y100S99-K109 CarbonylContact C-O 3.55Å; S99-K109 WeakPolarHBondContact CA-O 3.44Å; S99-K109 WeakPolarHBondContact CB-O 3.37Å; Y100-K109 HydrophobicContact CD1-CB 3.94Å; Y100-K109 WeakPolarHBondContact CD1-O 3.34Å; Y100-K109 HydrophobicContact CE1-CB 3.43Å; Y100-K109 VanDerWaalsContact CE1-CB 3.43Å; Y100-K109 HydrophobicContact CE1-CD 4.34Å; Y100-K109 HydrophobicContact CE2-CB 4.41Å; Y100-K109 HydrophobicContact CE2-CD 4.34Å; Y100-K109 PolarHBondContact N-O 3.34Å; Y100-K109 PolarHBondContact O-N 2.64Å; Y100-K109 VanDerWaalsContact OH-CD 3.31Å; Y100-K109 WeakPolarHBondContact OH-CD 3.45Å
110V98.4Very high88.5Confident82 Ų8287.6 Ų87.650%0.49750%0.503SS..EExtended strand (participates in β ladder)trans-87.2134.7-179.6-1790000110.1E97 Y112 L113E97-V110 HydrophobicContact CG-CG1 4.47Å; V110-Y112 VanDerWaalsContact CG1-O 3.24Å; V110-Y112 WeakPolarHBondContact CG1-O 3.32Å; V110-L113 HydrophobicContact CG1-CB 3.95Å
111L98.3Very high85.9Confident59 Ų5991 Ų9131%0.30953%0.531SS..EExtended strand (participates in β ladder)trans-104.2-30.9172.7-65.2167.3000111.7V6 F10 V98 Y100V6-L111 HydrophobicContact CG1-CB 4.11Å; F10-L111 HydrophobicContact CB-CD1 3.81Å; F10-L111 HydrophobicContact CD1-CD1 3.54Å; F10-L111 HydrophobicContact CD2-CD1 3.99Å; F10-L111 HydrophobicContact CD2-CD2 3.73Å; F10-L111 HydrophobicContact CE1-CD1 4.05Å; F10-L111 HydrophobicContact CE2-CD1 4.46Å; F10-L111 HydrophobicContact CE2-CD2 4.08Å; F10-L111 HydrophobicContact CG-CD1 3.5Å; F10-L111 VanDerWaalsContact CG-CD1 3.5Å; F10-L111 HydrophobicContact CG-CD2 4.09Å; F10-L111 HydrophobicContact CG-CG 4.46Å; F10-L111 HydrophobicContact CZ-CD1 4.48Å; V98-L111 HydrophobicContact CB-CB 4.37Å; V98-L111 HydrophobicContact CG1-CB 4.29Å; V98-L111 HydrophobicContact CG1-CD1 4.1Å; V98-L111 WeakPolarHBondContact O-CA 3.5Å; V98-L111 PolarHBondContact O-N 3.39Å; Y100-L111 HydrophobicContact CD1-CD1 3.7Å; Y100-L111 HydrophobicContact CD1-CD2 3.84Å; Y100-L111 HydrophobicContact CD1-CG 3.55Å; Y100-L111 HydrophobicContact CE1-CD1 4.31Å; Y100-L111 HydrophobicContact CE1-CD2 3.57Å; Y100-L111 HydrophobicContact CE1-CG 3.81Å; Y100-L111 HydrophobicContact CG-CD1 4.38Å
112Y98.2Very high83.5Confident65 Ų6595.8 Ų95.826%0.25556%0.558SS.*EExtended strand (participates in β ladder)trans-146.3135.6178.6-177.3-108.7000109.2E3 V6 E97 V98 V110 E114E3-Y112 HydrophobicContact CG-CD1 4.05Å; E3-Y112 HydrophobicContact CG-CE1 3.89Å; V6-Y112 HydrophobicContact CG2-CD2 4.3Å; V6-Y112 HydrophobicContact CG2-CG 4.45Å; E97-Y112 WeakPolarHBondContact CA-O 3.31Å; V98-Y112 HydrophobicContact CG2-CD1 4.36Å; V98-Y112 PolarHBondContact N-O 3.19Å; V98-Y112 PolarHBondContact O-N 3.4Å; V98-Y112 VanDerWaalsContact O-N 3.1Å; V110-Y112 VanDerWaalsContact CG1-O 3.24Å; V110-Y112 WeakPolarHBondContact CG1-O 3.32Å; Y112-E114 HydrophobicContact CE1-CB 3.92Å; Y112-E114 PolarHBondContact OH-OE2 2.66Å
113L96.9Very high81.4Confident115 Ų11598.3 Ų98.360%0.60258%0.581SS**EExtended strand (participates in β ladder)trans-142.6132.4166.9-175.562.8000107.8Y96 E97 V110Y96-L113 CarbonylContact O-C 3.49Å; Y96-L113 VanDerWaalsContact O-CA 3.26Å; Y96-L113 WeakPolarHBondContact O-CA 3.21Å; E97-L113 HydrophobicContact CB-CD1 4.22Å; E97-L113 HydrophobicContact CG-CD1 4.2Å; V110-L113 HydrophobicContact CG1-CB 3.95Å
114E94.9Very high79.5Confident95 Ų95105.9 Ų105.944%0.44461%0.612SS.*  trans-126.5145.7173.5-179.7171-135.700108.9Y96 Y112Y96-E114 WeakPolarHBondContact CB-O 3.34Å; Y96-E114 PolarHBondContact O-N 3.43Å; Y112-E114 HydrophobicContact CE1-CB 3.92Å; Y112-E114 PolarHBondContact OH-OE2 2.66Å
115D88.6Confident77.7Confident145 Ų145109 Ų10978%0.77562%0.617SS**  trans-75.5126.4177.1-66.7-55.9000110.2
116P82.8Confident75.5Confident47 Ų47104.1 Ų104.131%0.30561%0.614SS.*  trans-59.7129.6-179.7-24.833.6000112Y96 G118 L119Y96-P116 HydrophobicContact CD2-CB 4.01Å; Y96-P116 HydrophobicContact CD2-CG 3.76Å; Y96-P116 HydrophobicContact CE2-CB 3.75Å; Y96-P116 HydrophobicContact CE2-CG 4Å; Y96-P116 HydrophobicContact CG-CG 4.28Å; P116-G118 PolarHBondContact O-N 2.83Å; P116-L119 PolarHBondContact O-N 2.83Å
117P74.6Confident73.3Confident111 Ų111110.7 Ų110.772%0.72164%0.639SS**THydrogen-bonded Turntrans-65104.1-179.126.1-33.8000110.7Y96Y96-P117 VanDerWaalsContact CE1-CD 3.45Å; Y96-P117 HydrophobicContact CE1-CG 4.31Å
118G64.9Low70.8Confident77 Ų77111.6 Ų111.679%0.79465%0.647SS**THydrogen-bonded Turntrans117.7-0.6178.100000116P116P116-G118 PolarHBondContact O-N 2.83Å
119L58.1Low68.4Low143 Ų143113 Ų11375%0.74966%0.656SS**  trans-1059.9170.7-88.1169.7000114.3P116 C121P116-L119 PolarHBondContact O-N 2.83Å; L119-C121 PolarHBondContact O-N 2.95Å
120G49.3Very low65.7Low70 Ų70114.9 Ų114.972%0.72267%0.671SS**  trans-66.978.6155.900000109.3D122G120-D122 PolarHBondContact O-N 2.81Å
121C44.4Very low62.7Low106 Ų106114.7 Ų114.772%0.71669%0.685SS**  trans-59119.2170.1-167.30000107.4L119 S123L119-C121 PolarHBondContact O-N 2.95Å; C121-S123 PolarHBondContact O-N 3.44Å
122D47.3Very low60.1Low142 Ų142121.7 Ų121.776%0.75972%0.717SS**  trans-59.175.7167.233.6-75.9000110.4G120 E124G120-D122 PolarHBondContact O-N 2.81Å; D122-E124 PolarHBondContact O-N 3.16Å
123S52Low57.2Low121 Ų121122.3 Ų122.385%0.84674%0.743SS**  trans-75.343.5171-165.30000111.3C121C121-S123 PolarHBondContact O-N 3.44Å
124E53.7Low54.7Low177 Ų177127.2 Ų127.283%0.82776%0.759SS**SBendtrans-122.7118.1167.1-107-170.673.400108.6D122D122-E124 PolarHBondContact O-N 3.16Å
125R51.9Low51.8Low227 Ų227126 Ų12686%0.85777%0.772SS**  trans81.168.9166.8-154.9-177.4-170.5150.45.4118.3E127R125-E127 HydrophobicContact CG-CG 4.45Å
126A43.1Very low49.5Very low102 Ų102128 Ų12884%0.84378%0.777SS**  trans-97.782.9136.200000109.6A128A126-A128 PolarHBondContact O-N 3.16Å
127E48.8Very low47.5Very low160 Ų160131 Ų13175%0.74880%0.799SS**  trans-66.9106.8166.3-100.2-83.2116.600108.7R125R125-E127 HydrophobicContact CG-CG 4.45Å
128A44.8Very low45.7Very low94 Ų94134.2 Ų134.278%0.77780%0.804SS**  trans-128120172.800000109.8A126A126-A128 PolarHBondContact O-N 3.16Å
129V47.1Very low44.5Very low116 Ų116136.7 Ų136.770%0.70380%0.804SS**  trans-75.5136.2-165.8160.90000114
130N41.3Very low43.8Very low159 Ų159137.9 Ų137.985%0.8581%0.806SS**  trans64128.1159.1-74.3-21.1000121
131G36.5Very low43.8Very low77 Ų77143.3 Ų143.379%0.79481%0.813SS**  trans176.988.8163.300000111.1
132E43.4Very low43.7Very low207 Ų207142 Ų14297%0.96781%0.81SS**  trans-67.8133.4-174.9-63.8170.688.300113.1
133G37.7Very low43.9Very low78 Ų78145.3 Ų145.380%0.80482%0.817SS**  trans-168.4108.7173.900000112.8
134K43.1Very low43.4Very low218 Ų218144.4 Ų144.495%0.94881%0.811SS**  trans-73.4144.3176.6-67176.6174.4-179.80111.5
135G34.6Very low43.6Very low68 Ų68145 Ų14570%0.70182%0.819SS**  trans164.878.3168.400000113.6S137G135-S137 PolarHBondContact O-N 3.06Å
136E40.5Very low43Very low188 Ų188136.7 Ų136.788%0.87980%0.803SS**  trans-41.7123.6174.754.5-124.27900116.7
137S40.4Very low43.1Very low111 Ų111141.3 Ų141.378%0.77681%0.805SS**  trans-154.499.6151.8-165.60000109.9G135 T139G135-S137 PolarHBondContact O-N 3.06Å; S137-T139 PolarHBondContact O-N 3.37Å
138E37.7Very low43.9Very low178 Ų178138.8 Ų138.883%0.83280%0.796SS**  trans-78.2111.8176-65.4171.9134.400109.5
139T38.8Very low44.4Very low129 Ų129140.7 Ų140.779%0.79180%0.801SS**  trans-110.885.6153.9-57.10000107.2S137 E141S137-T139 PolarHBondContact O-N 3.37Å; T139-E141 PolarHBondContact O-N 2.97Å; T139-E141 VanDerWaalsContact O-N 3.13Å
140E42.8Very low44.3Very low168 Ų168141.2 Ų141.279%0.78580%0.799SS**  trans-66.6112173.6-75-160.5120.600109.7A142E140-A142 PolarHBondContact O-N 3.36Å
141E49.6Very low45Very low184 Ų184136.3 Ų136.386%0.8678%0.781SS**  trans-75.868.6172.5-150.1-178.1157.100110T139 K143T139-E141 PolarHBondContact O-N 2.97Å; T139-E141 VanDerWaalsContact O-N 3.13Å; E141-K143 PolarHBondContact O-N 3.1Å
142A41.8Very low45.7Very low79 Ų79140.7 Ų140.765%0.65378%0.781SS**  trans-71.199.3179.700000110.4E140 S144E140-A142 PolarHBondContact O-N 3.36Å; A142-S144 PolarHBondContact O-N 3Å
143K52.8Low46Very low210 Ų210136.7 Ų136.791%0.91377%0.77SS**  trans-46.189.4172.5-62.2162-1731740111.9E141E141-K143 PolarHBondContact O-N 3.1Å
144S41.1Very low46.2Very low103 Ų103142.5 Ų142.572%0.7277%0.774SS**  trans-99.6102.9176.6-169.60000109.8A142 G146A142-S144 PolarHBondContact O-N 3Å; S144-G146 PolarHBondContact O-N 3.22Å
145L58.1Low46.5Very low190 Ų190137.9 Ų137.9100%0.99576%0.763SS**  trans-71.862.9160.9-69.8172.1000108.9
146G39Very low46.8Very low51 Ų51140 Ų14053%0.52677%0.765SS.*  trans-88.4124.8-176.300000111.6S144 N148S144-G146 PolarHBondContact O-N 3.22Å; G146-N148 PolarHBondContact O-N 3.06Å
147F45.8Very low47.2Very low200 Ų200139.8 Ų139.888%0.87777%0.768SS**  trans-50.3135.8162.7-115.5-111.6000110.1P149F147-P149 VanDerWaalsContact O-CD 3.24Å; F147-P149 WeakPolarHBondContact O-CD 3.33Å; F147-P149 VanDerWaalsContact O-N 3.14Å
148N64.4Low47Very low107 Ų107137.2 Ų137.257%0.57276%0.759SS**  trans-60.6114.5171.8176.84.3000109.5G146 D150 A151G146-N148 PolarHBondContact O-N 3.06Å; N148-D150 PolarHBondContact O-N 3.2Å; N148-D150 PolarHBondContact OD1-N 2.92Å; N148-A151 HydrophobicContact CB-CB 4.48Å; N148-A151 VanDerWaalsContact O-CB 3.31Å; N148-A151 WeakPolarHBondContact O-CB 3.26Å; N148-A151 PolarHBondContact O-N 3.35Å
149P56.3Low46.9Very low134 Ų134134.1 Ų134.187%0.8776%0.757SS**THydrogen-bonded Turntrans-73.5-15-176.231.2-35.6000113.3F147 A151F147-P149 VanDerWaalsContact O-CD 3.24Å; F147-P149 WeakPolarHBondContact O-CD 3.33Å; F147-P149 VanDerWaalsContact O-N 3.14Å; P149-A151 VanDerWaalsContact C-N 3.31Å
150D45.6Very low46.8Very low126 Ų126136.7 Ų136.767%0.67476%0.76SS**THydrogen-bonded Turntrans-929.6175.6-129-41.6000112.6N148 Q152N148-D150 PolarHBondContact O-N 3.2Å; N148-D150 PolarHBondContact OD1-N 2.92Å; D150-Q152 PolarHBondContact O-N 3.21Å
151A56.1Low46.4Very low56 Ų56132.8 Ų132.846%0.46376%0.757SS.*  trans-71.381.3167.700000109.9N148 P149 V153N148-A151 HydrophobicContact CB-CB 4.48Å; N148-A151 VanDerWaalsContact O-CB 3.31Å; N148-A151 WeakPolarHBondContact O-CB 3.26Å; N148-A151 PolarHBondContact O-N 3.35Å; P149-A151 VanDerWaalsContact C-N 3.31Å; A151-V153 VanDerWaalsContact C-N 3.3Å; A151-V153 PolarHBondContact O-N 3.1Å
152Q51.4Low45.8Very low169 Ų169129.7 Ų129.779%0.7976%0.755SS**  trans-61.693.9167.2-66.7-168.722.300109.4D150 F154D150-Q152 PolarHBondContact O-N 3.21Å; Q152-F154 PolarHBondContact O-N 2.76Å
153V48.6Very low46.2Very low123 Ų123132 Ų13275%0.74576%0.764SS**  trans-58.4120.3170173.30000107.6A151 V155A151-V153 VanDerWaalsContact C-N 3.3Å; A151-V153 PolarHBondContact O-N 3.1Å; V153-V155 PolarHBondContact O-N 3.23Å
154F42.4Very low45.4Very low200 Ų200126.2 Ų126.288%0.87776%0.755SS**  trans-53108175.9-106.1-104.7000110.1Q152 P156Q152-F154 PolarHBondContact O-N 2.76Å; F154-P156 WeakPolarHBondContact O-CD 3.24Å
155V49.1Very low45.4Very low121 Ų121129.7 Ų129.773%0.73376%0.764SS**  trans-76.7121172.3-171.30000107.5V153 I157V153-V155 PolarHBondContact O-N 3.23Å; V155-I157 PolarHBondContact O-N 2.88Å
156P41.1Very low44.9Very low112 Ų112128.2 Ų128.273%0.72776%0.757SS**  trans-61.4124.5171.8-20.433.3000109.3F154 G158F154-P156 WeakPolarHBondContact O-CD 3.24Å; P156-G158 PolarHBondContact O-N 3.01Å
157I48.7Very low45.1Very low185 Ų185130.8 Ų130.895%0.94976%0.764SS**  trans-67.797.6175-63.2174.5000107.7V155V155-I157 PolarHBondContact O-N 2.88Å
158G36.6Very low44.6Very low57 Ų57126.4 Ų126.459%0.58876%0.758SS**  trans-162.776.9-168.100000114.2P156P156-G158 PolarHBondContact O-N 3.01Å
159S35.8Very low43.1Very low113 Ų113129.5 Ų129.579%0.7977%0.774SS**  trans51.897.1145.659.10000120.7
160Q35.1Very low42.1Very low183 Ų183128.1 Ų128.186%0.85577%0.768SS**  trans-154.2113.2130.3-75.6-56.93.100106.8
161A35.6Very low41.5Very low86 Ų86127.2 Ų127.271%0.71177%0.771SS**  75.5103.478.200000114.3
162S37.1Very low40.6Very low119 Ų119129.9 Ų129.983%0.83279%0.786SS**PPolyproline II helixtrans-98.6158.1158.6-79.90000109.5
163P50.7Low40.1Very low128 Ų128127.3 Ų127.383%0.83178%0.784SS**PPolyproline II helixtrans-77.9159.8-152.629.3-36.1000115.7
164A35.5Very low39.6Very low88 Ų88127.7 Ų127.773%0.72779%0.787SS**PPolyproline II helixtrans-75145.8-167.800000115.6
165L41.1Very low40.3Very low176 Ų176123.6 Ų123.692%0.92178%0.781SS**  trans-131.7156.1138.2-74.2-179.9000109.3
166L47.7Very low39.4Very low159 Ų159126 Ų12683%0.83279%0.789SS**  trans-81.9-174.6-159-59.8169.6000114.1
167P43.3Very low39Very low104 Ų104126.8 Ų126.868%0.67579%0.791SS**  -134.1172.2-53.937.2-22.4000113.9
168S33.6Very low38.4Very low109 Ų109121.9 Ų121.976%0.76278%0.778SS**  trans65.6135.2159.9-590000117.3
169L33.9Very low38.3Very low171 Ų171127.8 Ų127.890%0.89579%0.79SS**  -157.6160.360.1-82.6165.5000112.3
170S36Very low39.2Very low106 Ų106127.9 Ų127.974%0.74179%0.789SS**  trans-65.1142.1172.51720000112.7
171S33.1Very low39.1Very low106 Ų106122.3 Ų122.374%0.74178%0.78SS**  165.7132.5109.1-67.60000112.8
172S36.1Very low39.1Very low112 Ų112125.8 Ų125.878%0.78379%0.786SS**  trans-79.6146.6159-167.60000108.7
173P41Very low39Very low116 Ų116130.7 Ų130.775%0.75379%0.793SS**  -151.5169.396.238.9-21.2000116.3
174T39Very low38Very low130 Ų130128.5 Ų128.580%0.79878%0.78SS**  trans-145.6171.1157.939.90000108.1
175P56.1Low38Very low115 Ų115134.4 Ų134.475%0.74779%0.785SS**  cis-123.9-173.4-17.736.9-20.8000111.9
176L30.7Very low38.7Very low172 Ų172131.3 Ų131.390%0.90178%0.776SS**  trans-168.2170.1143.2-110.6170000113.7
177T32.6Very low38Very low127 Ų127129 Ų12978%0.77977%0.773SS**  trans-129154.9-160.3-44.80000112.4
178A35.8Very low37.5Very low82 Ų82129.5 Ų129.568%0.67878%0.779SS**  trans85.4111153.500000122.4
179Q35.5Very low37.6Very low181 Ų181129.6 Ų129.685%0.84678%0.779SS**  71.3173.2126.7-62.6-89.6-35.300117.5
180P54.3Low38Very low116 Ų116127.7 Ų127.775%0.75378%0.775SS**  -128.3167.4-87.936.7-17.9000114.1
181G31.6Very low38.9Very low65 Ų65128 Ų12867%0.6777%0.774SS**  trans-171.1110.4176.600000117.8
182L35.4Very low39.1Very low160 Ų160128.9 Ų128.984%0.83878%0.775SS**  trans35.1110.2134.5-70.5154.6000119.7
183F36.9Very low39.1Very low222 Ų222130.7 Ų130.797%0.97478%0.776SS**  trans-144.6150130.1-80.8-66.3000110.1
184S28.8Very low39.7Very low81 Ų81130.6 Ų130.657%0.56678%0.776SS**  trans-147.2154.6-172.9-175.30000111.5
185Y36.4Very low39.4Very low213 Ų213127.5 Ų127.584%0.83577%0.769SS**  trans88.6155.6165-52-61.9000117.8
186P55Low38.6Very low111 Ų111129 Ų12972%0.72178%0.777SS**  -144.6-154.1-80.638.7-16.1000113.7
187S33.1Very low38.9Very low111 Ų111129.1 Ų129.178%0.77677%0.772SS**  trans92.1137.3175.1-35.10000113
188S32.1Very low39.3Very low114 Ų114128 Ų12880%0.79777%0.77SS**  cis-162.7173.3-1.3-115.70000108.2
189S36.9Very low39.6Very low110 Ų110129 Ų12977%0.76977%0.771SS**  cis-162.9169.60.238.50000109.6
190T42.1Very low39.6Very low131 Ų131127.9 Ų127.980%0.80477%0.771SS**  trans-91.2165.2171.253.20000112.1
191P53.9Low38.6Very low112 Ų112129.2 Ų129.273%0.72778%0.778SS**  -149.8157.492.738.7-20.5000118.6
192T38.3Very low38.9Very low125 Ų125131.6 Ų131.677%0.76778%0.784SS**  trans62.1101.8146.250.80000123.8
193D36.2Very low39Very low151 Ų151129.1 Ų129.181%0.80778%0.78SS**  51.8162.896.3-141.936.4000120.8
194P52.6Low39.8Very low113 Ų113124.8 Ų124.873%0.73477%0.774SS**  cis-129.2175.6-15.312.513.6000116.1
195G32.5Very low40.5Very low65 Ų65126.1 Ų126.167%0.6778%0.783SS**  trans160.4124.5145.100000121
196V39.1Very low41.2Very low148 Ų148122.4 Ų122.490%0.89779%0.785SS**  trans91.6146.7153.4-166.60000118.6
197H37.7Very low40.3Very low173 Ų173122.9 Ų122.980%0.80179%0.791SS**  trans-107.7163.2-151.3-64.3-109.4000116.3
198S41.3Very low40.6Very low105 Ų105123.7 Ų123.773%0.73480%0.797SS**  trans1.5153.8147.6-37.70000120.3
199S41.4Very low41.1Very low101 Ų101122.2 Ų122.271%0.70680%0.8SS**  cis-168.9160.235.4-36.80000114.4
200N35.3Very low41.1Very low159 Ų159120.3 Ų120.385%0.8580%0.798SS**  trans52.3126.3145.8-61.5-1.4000123.6
201T34.8Very low41.1Very low144 Ų144122.4 Ų122.488%0.88380%0.803SS**  -172.9175.5112.2-166.20000111.7
202S36.3Very low40.9Very low114 Ų114123 Ų12380%0.79781%0.807SS**  trans-106.1166.3-147-52.30000118
203S37.4Very low40.8Very low109 Ų109127.6 Ų127.676%0.76281%0.812SS**  trans-67.3173.3175.4-36.10000114.8
204P54.1Low40.8Very low130 Ų130128.1 Ų128.184%0.84481%0.814SS**  -146.6171.880.238.2-19.5000117.2
205S43.6Very low40.5Very low110 Ų110127.4 Ų127.477%0.76981%0.809SS**  trans-101.7166-179.6-37.70000113.3
206P50.5Low41Very low134 Ų134131.3 Ų131.387%0.8782%0.82SS**  trans-93168.4158.736-30.8000112.9
207S37.9Very low41Very low121 Ų121133.5 Ų133.585%0.84682%0.82SS**  trans-105.7155.8-157.840.40000116.1
208S39.4Very low41.5Very low128 Ų128133.7 Ų133.790%0.89582%0.822SS**  trans-94.4138.2177.6-50.90000112.7
209G41.3Very low41.9Very low83 Ų83134.2 Ų134.286%0.85682%0.823SS**  trans-109.4129.3159.800000109.7
210G36.5Very low42Very low71 Ų71135.4 Ų135.473%0.73283%0.828SS**  trans-113.7157.3-175.300000114
211L43.1Very low42.4Very low175 Ų175136.7 Ų136.792%0.91683%0.829SS**  trans-151163.6160.8-83.2-167000109.6
212P49.4Very low42.8Very low124 Ų124134.6 Ų134.681%0.80583%0.826SS**  trans-100.5172.3-146.138.2-38.2000118.2
213Y36.7Very low43.6Very low221 Ų221136.7 Ų136.787%0.86783%0.827SS**  trans-49.7144.6-179.6-128.3-106.6000118
214L36.4Very low44.5Very low163 Ų163137 Ų13785%0.85383%0.827SS**  trans-164.3163.7150.7-100.3152.1000107.8
215P46.7Very low44.3Very low98 Ų98136.8 Ų136.864%0.63683%0.826SS**  -107.4168.6-128.910.312.5000116
216T42.7Very low44.5Very low146 Ų146136.2 Ų136.290%0.89683%0.828SS**  trans-35.2128172.746.40000116
217Q39.2Very low44.3Very low194 Ų194140.6 Ų140.691%0.90783%0.827SS**  trans-124.8143.5163.7-156.4172.747.400110
218Q48Very low44.9Very low178 Ų178140.7 Ų140.783%0.83283%0.825SS**PPolyproline II helixtrans-71.2154.6-171.2-66.8163-58.500113
219P49.5Very low45.5Very low116 Ų116142.1 Ų142.175%0.75382%0.817SS**PPolyproline II helixtrans-66.7142.1169.729.2-34.4000111
220P44.1Very low45.8Very low126 Ų126143.5 Ų143.582%0.81881%0.811SS**PPolyproline II helixtrans-70.8144.8-179.728.8-34.4000112.1
221Q43.2Very low46.8Very low185 Ų185146.6 Ų146.686%0.86481%0.809SS**PPolyproline II helixtrans-69.3139.6176.4-66.7-174.7-14.900111.5
222A42.7Very low47.1Very low100 Ų100144.1 Ų144.183%0.82680%0.801SS**PPolyproline II helixtrans-71.9133.5176.500000111.8
223L53.6Low47.1Very low158 Ų158147 Ų14783%0.82780%0.802SS**PPolyproline II helixtrans-66.9148165.2-95.678.6000110.5
224P56.8Low48Very low116 Ų116142.4 Ų142.475%0.75380%0.797SS**PPolyproline II helixtrans-70.1139.2173.229.7-34000111A226P224-A226 PolarHBondContact O-N 2.89Å
225P48.1Very low48.9Very low126 Ų126141.7 Ų141.782%0.81880%0.8SS**PPolyproline II helixtrans-69.2132.1175.228.1-33.6000111
226A49.2Very low49.1Very low98 Ų98141.1 Ų141.181%0.8180%0.803SS**PPolyproline II helixtrans-66.8136.2175.400000111P224P224-A226 PolarHBondContact O-N 2.89Å
227R46.6Very low49.2Very low225 Ų225140 Ų14085%0.84980%0.801SS**PPolyproline II helixtrans-67.1132.2173-78.5-177175.8145.4-1.9110.6Q229R227-Q229 PolarHBondContact O-N 3.19Å
228P49Very low49.7Very low124 Ų124140.7 Ų140.781%0.80580%0.802SS**PPolyproline II helixtrans-68.4128.2161.929.3-31.7000109.3
229Q53.8Low49.6Very low158 Ų158136.7 Ų136.774%0.73880%0.799SS**PPolyproline II helixtrans-79.6141.7168.2-64.8-67.7-12.100109.1R227 I231R227-Q229 PolarHBondContact O-N 3.19Å; Q229-I231 PolarHBondContact O-N 3.02Å
230P45.7Very low49.6Very low111 Ų111136 Ų13672%0.72180%0.803SS**PPolyproline II helixtrans-67.2129.1178.926.9-33.2000111.1T232P230-T232 PolarHBondContact O-N 2.87Å
231I59.5Low49.8Very low137 Ų137137 Ų13770%0.70381%0.807SS**  trans-78114.2173.2-68.9175.1000109Q229 F233Q229-I231 PolarHBondContact O-N 3.02Å; I231-F233 HydrophobicContact CB-CE2 4.42Å; I231-F233 HydrophobicContact CG2-CD2 3.91Å; I231-F233 HydrophobicContact CG2-CE2 3.63Å; I231-F233 HydrophobicContact CG2-CZ 4.03Å; I231-F233 PolarHBondContact O-N 3.24Å
232T49.4Very low50.4Low122 Ų122137.9 Ų137.975%0.74881%0.808SS**  trans-78.6111170.8-53.80000109.9P230 T234P230-T232 PolarHBondContact O-N 2.87Å; T232-T234 PolarHBondContact O-N 2.82Å
233F48.7Very low50.5Low185 Ų185142.1 Ų142.181%0.81181%0.808SS**  trans-85100.4169.5-78.6-84.1000110.7I231 T235I231-F233 HydrophobicContact CB-CE2 4.42Å; I231-F233 HydrophobicContact CG2-CD2 3.91Å; I231-F233 HydrophobicContact CG2-CE2 3.63Å; I231-F233 HydrophobicContact CG2-CZ 4.03Å; I231-F233 PolarHBondContact O-N 3.24Å; F233-T235 PolarHBondContact O-N 2.94Å
234T55.9Low49.9Very low125 Ų125137.8 Ų137.877%0.76780%0.801SS**  trans-75.6111.6172.1-47.70000109.9T232 A236T232-T234 PolarHBondContact O-N 2.82Å; T234-A236 PolarHBondContact O-N 2.93Å
235T53.9Low49.3Very low148 Ų148137.4 Ų137.491%0.90880%0.801SS**  trans-81.497.7178.1-160.90000110.9F233F233-T235 PolarHBondContact O-N 2.94Å
236A50.7Low49.2Very low85 Ų85137.8 Ų137.870%0.70280%0.802SS**  trans-160.985.2175.500000112.9T234T234-A236 PolarHBondContact O-N 2.93Å
237S45.1Very low49.1Very low124 Ų124143 Ų14387%0.86781%0.806SS**  trans-156.987.7148.3-157.60000110.6
238F50.5Low49.2Very low208 Ų208141.3 Ų141.391%0.91281%0.81SS**  trans-93.7129.2172.7-111.4-95.9000110.1
239A46Very low49Very low93 Ų93144.5 Ų144.577%0.76981%0.811SS**  trans42.3104153.200000119.6
240A48.7Very low48.2Very low103 Ų103145.6 Ų145.685%0.85181%0.814SS**  trans-147.151.8160.400000114.1
241T49.8Very low47.8Very low146 Ų146145.7 Ų145.790%0.89682%0.816SS**  trans-10789.8164.432.10000110.5
242K55.4Low46.9Very low204 Ų204144.7 Ų144.789%0.88782%0.816SS**  trans-64.5132.4177.7-172-178.1-176.3-175.30110.7G244K242-G244 PolarHBondContact O-N 3.2Å
243F44.1Very low46.3Very low189 Ų189142.8 Ų142.883%0.82982%0.821SS**  trans-55.7118.4179.2-142.1-100.9000111.7S245F243-S245 PolarHBondContact O-N 3.33Å
244G41.3Very low45.8Very low66 Ų66138.8 Ų138.868%0.6882%0.822SS**  trans-89.490.8175.900000111.3K242 T246K242-G244 PolarHBondContact O-N 3.2Å; G244-T246 PolarHBondContact O-N 3.47Å
245S43.5Very low44.7Very low108 Ų108136.3 Ų136.376%0.75582%0.822SS**  trans-70.593.7179.2-60.30000112.5F243 K247F243-S245 PolarHBondContact O-N 3.33Å; S245-K247 PolarHBondContact O-N 3Å
246T46.3Very low44.1Very low135 Ų135135.5 Ų135.583%0.82882%0.822SS**  trans-77.9108.8167.844.20000110.4G244 M248G244-T246 PolarHBondContact O-N 3.47Å; T246-M248 PolarHBondContact O-N 3.24Å
247K46.9Very low44Very low208 Ų208137.2 Ų137.290%0.90483%0.826SS**  trans-68.7119.5169.5-95.3-167.4171.7-174.70110.1S245S245-K247 PolarHBondContact O-N 3Å
248M48.3Very low43.6Very low189 Ų189135.8 Ų135.893%0.93182%0.822SS**  trans-67.9130.4164.2-72.8179.563.100110.5T246T246-M248 PolarHBondContact O-N 3.24Å
249K44.7Very low42.9Very low190 Ų190133.5 Ų133.583%0.82682%0.819SS**  trans-88.9114.1174.6-177.5173.2176.3179.50109.1C251K249-C251 PolarHBondContact O-N 2.83Å
250K38.4Very low42.4Very low181 Ų181134.8 Ų134.879%0.78782%0.822SS**  trans-69.3108.5174.7-172.7-173.6-175-172.70109.6T252K250-T252 HydrophobicContact CD-CG2 4.17Å; K250-T252 HydrophobicContact CG-CG2 4.25Å; K250-T252 PolarHBondContact O-N 3.18Å
251C37.5Very low41.8Very low114 Ų114133.2 Ų133.277%0.7782%0.816SS**  trans-8999.6168.7-69.10000109.5K249K249-C251 PolarHBondContact O-N 2.83Å
252T39Very low41.1Very low115 Ų115132.3 Ų132.371%0.70681%0.81SS**  trans-89104.7163.244.40000108.8K250K250-T252 HydrophobicContact CD-CG2 4.17Å; K250-T252 HydrophobicContact CG-CG2 4.25Å; K250-T252 PolarHBondContact O-N 3.18Å
253G36.8Very low40.2Very low83 Ų83129.8 Ų129.886%0.85680%0.804SS**  trans-127.296.9170.400000109
254A38.2Very low40Very low101 Ų101126.9 Ų126.984%0.83580%0.802SS**  trans-117.3142.1178.700000110.1
255G34.7Very low40.6Very low73 Ų73128.8 Ų128.875%0.75380%0.802SS**  trans79.194.1160.300000116.5P257G255-P257 WeakPolarHBondContact O-CD 3.31Å
256S40.9Very low41.1Very low130 Ų130129.1 Ų129.191%0.90980%0.802SS**  trans-94.8108.2148.9-67.20000108.6
257P47.4Very low40.7Very low121 Ų121127.3 Ų127.379%0.78680%0.795SS**  trans-85.4140.4166.233-30.7000110.3G255G255-P257 WeakPolarHBondContact O-CD 3.31Å
258A38.1Very low40.1Very low95 Ų95126 Ų12679%0.78579%0.792SS**  trans-70.4141.816800000110.7
259N34.8Very low39.6Very low160 Ų160127.3 Ų127.386%0.85679%0.786SS**  trans-169.8142.6132.2-116.35.9000112.2
260S35.8Very low39.1Very low120 Ų120125.5 Ų125.584%0.83978%0.783SS**  trans-139.388.2152.3-163.60000108.4
261G35.8Very low39.2Very low69 Ų69124.7 Ų124.771%0.71179%0.786SS**  trans-125.4117.7169.400000107.4
262V36.1Very low39.1Very low128 Ų128123.9 Ų123.978%0.77678%0.782SS**  trans-96.9162.6-176.9-171.90000109
263I35.5Very low38.9Very low150 Ų150130 Ų13077%0.76979%0.792SS**  trans114102.4154.5-58.2180000116.3
264V39.8Very low38.9Very low128 Ų128131.7 Ų131.778%0.77679%0.791SS**  trans87.9126.4141.1171.90000121.2
265P54.4Low40Very low107 Ų107132.5 Ų132.570%0.69579%0.787SS**  trans-97-178.6168.343.1-37000111.8
266P54.3Low40.1Very low114 Ų114135.3 Ų135.374%0.7479%0.79SS**  -157.6172.792.942.1-23.3000118.4
267S36.7Very low39.7Very low98 Ų98134.3 Ų134.369%0.68578%0.779SS**  trans83.4111.1142.5-70.50000124.1
268Q34.3Very low39.1Very low179 Ų179136 Ų13684%0.83678%0.779SS**  trans67.1129.4138.5-55.4-173.59.700118.9
269R38.8Very low38.8Very low217 Ų217136.6 Ų136.682%0.81978%0.778SS**  -165.1133.361.7169.4176.6-93.4149.1-7.6112.9
270M33.9Very low39Very low153 Ų153133.3 Ų133.375%0.75477%0.773SS**  trans12.1129.3150.5-49.3172.971.800119.8
271L41.2Very low39.7Very low164 Ų164133.5 Ų133.586%0.85977%0.771SS**  -171.9144.693.5-96.9166.8000112.5
272S34.3Very low39.6Very low97 Ų97138.3 Ų138.368%0.67878%0.775SS**  trans-93.6149.7-177.948.90000112.9
273R35.6Very low39.5Very low244 Ų244138.1 Ų138.192%0.92177%0.769SS**  trans-173.3143.2135.3-102.3152.6-176.9-98.7-2.5111.8
274S35.4Very low39.8Very low118 Ų118137.8 Ų137.883%0.82577%0.768SS**  trans-121.5-172.2-175.1-33.10000109.6
275P63.1Low39.9Very low117 Ų117140 Ų14076%0.7677%0.768SS**  trans-116171.9-138.541.6-28.3000116
276T37Very low39.4Very low133 Ų133144.1 Ų144.182%0.81678%0.777SS**  trans179.1158.8164.233.80000110.2
277T32.2Very low39.1Very low109 Ų109147.7 Ų147.767%0.66978%0.781SS**  cis-175.6167.5-25.529.40000107.8
278I33.5Very low39.3Very low156 Ų156149 Ų14980%0.879%0.787SS**  trans72.1143.1153.8-75156.7000116.6
279S33.3Very low39.5Very low108 Ų108148.6 Ų148.676%0.75579%0.79SS**  cis-161.5173.7-13.3-96.80000110.9
280A38.5Very low39.6Very low90 Ų90143.4 Ų143.474%0.74479%0.787SS**  trans-75.6175.5-18000000115.1
281P49.2Very low39.7Very low125 Ų125144.5 Ų144.581%0.81280%0.795SS**  -140.3176.899.339.8-27.2000117
282E33.7Very low39.6Very low169 Ų169140.1 Ų140.179%0.7978%0.778SS**  trans-36.1165.4169.4-84.5179.5102.700118.3
283L35.6Very low40.2Very low125 Ų125143.8 Ų143.865%0.65479%0.789SS**  cis-162.7-178.220.5-129.6161.5000111.6
284L41.7Very low40.6Very low142 Ų142139.7 Ų139.774%0.74378%0.78SS**  trans9479.3163.9-54-177.7000120.4
285K42.2Very low40.8Very low176 Ų176139.8 Ų139.877%0.76578%0.781SS**  32.8113.4122.3-63.1171.7177.7171.10118.8
286H43.9Very low39.8Very low192 Ų192142.7 Ų142.789%0.88979%0.789SS**  -152.6162.4128.6-89.7-68.4000110
287K46.4Very low39.7Very low190 Ų190140.2 Ų140.283%0.82679%0.79SS**PPolyproline II helixtrans-86.8135.4-154.5-57.8152179.91750113.7
288P41Very low39.9Very low126 Ų126138.5 Ų138.582%0.81879%0.794SS**PPolyproline II helixtrans-82.9126.5158.832.5-29.6000110.1
289L38.6Very low40.4Very low169 Ų169137.2 Ų137.289%0.88580%0.795SS**PPolyproline II helixtrans-93.2123.6165.7-74.4175.1000109.4
290S40.7Very low40.7Very low108 Ų108139.7 Ų139.776%0.75580%0.798SS**PPolyproline II helixtrans-67.9134.7178-177.10000111.3
291L37.2Very low41Very low176 Ų176140.8 Ų140.892%0.92180%0.798SS**  trans-93.192.4163.1-69.2179.8000108.6
292S37.9Very low40.4Very low72 Ų72140.2 Ų140.250%0.50380%0.797SS.*  trans-80127.9175.2-179.80000110.2H294S292-H294 WeakPolarHBondContact CB-NE2 3.38Å; S292-H294 PolarHBondContact O-CD2 2.84Å; S292-H294 PolarHBondContact OG-CE1 3.04Å; S292-H294 PolarHBondContact OG-NE2 3.05Å
293L47.2Very low40.7Very low174 Ų174140.8 Ų140.891%0.91180%0.8SS**  trans-83.5129.6170.4-78.2164.6000109.6
294H43.7Very low41Very low159 Ų159142.9 Ų142.974%0.73681%0.81SS**  trans-133122.6171.8-41.5-100.1000109.1S292S292-H294 WeakPolarHBondContact CB-NE2 3.38Å; S292-H294 PolarHBondContact O-CD2 2.84Å; S292-H294 PolarHBondContact OG-CE1 3.04Å; S292-H294 PolarHBondContact OG-NE2 3.05Å
295S41Very low40.8Very low120 Ų120141.5 Ų141.584%0.83981%0.813SS**  trans-103105.8175.9-68.40000111.3
296L42Very low41.3Very low178 Ų178139.1 Ų139.193%0.93282%0.815SS**  trans-152.6141.8160.2-62.7175.6000104.8
297G33.6Very low41.3Very low81 Ų81135.8 Ų135.884%0.83581%0.814SS**  cis131.898.211.900000109.2
298G37.3Very low41.2Very low73 Ų73131.2 Ų131.275%0.75381%0.811SS**  trans121.8143.1173.600000115.8
299P44.3Very low41.3Very low128 Ų128135.5 Ų135.583%0.83182%0.817SS**  trans-98.7148.3-175.437.4-33.5000114.1
300I39.5Very low41.5Very low160 Ų160136 Ų13682%0.82182%0.815SS**  trans-140.3132.8167.4-52.3179.1000109.2
301P44.7Very low41.4Very low114 Ų114139.6 Ų139.674%0.7482%0.817SS**  trans-91153.7177.436-34.5000113.3
302S36.4Very low41.4Very low112 Ų112137.2 Ų137.278%0.78381%0.81SS**  trans-138.8106164.5-68.30000108.3
303Q39Very low41.6Very low182 Ų182143.4 Ų143.485%0.8582%0.824SS**  64.978.581.3-69.5-83.813.400112.4
304L43.2Very low41.5Very low168 Ų168141.1 Ų141.188%0.8882%0.819SS**  trans-98155.8160.7-81170000110.2
305S37.8Very low41.3Very low114 Ų114136.7 Ų136.780%0.79782%0.817SS**  trans-60.3142.9-166.4-169.30000115.3S307S305-S307 PolarHBondContact O-N 3.33Å
306P51.1Low41.4Very low126 Ų126136.8 Ų136.882%0.81882%0.817SS**SBendtrans-88.387-17235.4-36.1000113.6
307S44.6Very low41.8Very low122 Ų122134.3 Ų134.385%0.85381%0.812SS**  trans-160.472.6157.1-162.70000113.1S305S305-S307 PolarHBondContact O-N 3.33Å
308A43.5Very low42.1Very low94 Ų94133.4 Ų133.478%0.77780%0.802SS**  trans-132.8118.7160.800000108.3E310A308-E310 PolarHBondContact O-N 3.32Å
309K44.8Very low42.7Very low216 Ų216135.8 Ų135.894%0.93980%0.804SS**  trans-81.789.3169.6-79.6-175.5174.6-179.20108.3
310E41.3Very low42.2Very low179 Ų179139.6 Ų139.684%0.83681%0.808SS**  trans-74.5138.5172-162.3167.2-173.900110.4A308 V312A308-E310 PolarHBondContact O-N 3.32Å; E310-V312 PolarHBondContact O-N 3.39Å
311F38.8Very low42.1Very low184 Ų184140.8 Ų140.881%0.80781%0.808SS**  trans-87.9101.1-171.5-146.6-91.9000109.5Y313F311-Y313 HydrophobicContact CD1-CE2 4.43Å; F311-Y313 PolarHBondContact O-N 3.41Å
312V38.3Very low41.6Very low126 Ų126145.2 Ų145.276%0.76482%0.816SS**  trans-76.4111.8-178178.70000110.8E310E310-V312 PolarHBondContact O-N 3.39Å
313Y42.2Very low41.3Very low202 Ų202146.3 Ų146.379%0.79281%0.813SS**  trans-84.2129.8156.9-91-91000109.4F311 G315F311-Y313 HydrophobicContact CD1-CE2 4.43Å; F311-Y313 PolarHBondContact O-N 3.41Å; Y313-G315 PolarHBondContact O-N 2.72Å
314P45.4Very low41.1Very low125 Ų125141.6 Ų141.681%0.81281%0.805SS**  trans-78.2119.1171.330.7-31.4000110.2
315G38.7Very low40.5Very low67 Ų67140.6 Ų140.669%0.69180%0.8SS**  trans-125137.3167.500000110.9Y313Y313-G315 PolarHBondContact O-N 2.72Å
316S43Very low40.5Very low121 Ų121140.2 Ų140.285%0.84679%0.793SS**  trans165.4157.2158.4-80.80000110.2
317P50.1Low39.8Very low127 Ų127142.7 Ų142.783%0.82579%0.794SS**  cis-121.6-175.8-11.534.8-16.5000112.8
318G38.9Very low39.9Very low61 Ų61142 Ų14263%0.62979%0.787SS**  trans-88.8-129.9-177.100000116
319P50.3Low39.4Very low123 Ų123145.9 Ų145.980%0.79979%0.791SS**  -115.2147.6-95.836.5-32.1000113.6
320F34.3Very low39.4Very low209 Ų209143.2 Ų143.292%0.91778%0.782SS**  trans-137.1134.6169.5-73.1-75.9000113.9
321F38.6Very low39.7Very low185 Ų185140.8 Ų140.881%0.81178%0.781SS**  trans-74.3148169.5-151.4-95.8000109.2
322F33.3Very low39.5Very low206 Ų206140.3 Ų140.390%0.90478%0.782SS**  trans-162.3153.3137.2-124.7-84000112.9
323D30.4Very low39.4Very low135 Ų135139.3 Ų139.372%0.72279%0.787SS**  trans-94.3-169.9-175.6-157.4-91000112.1
324A34.5Very low39.1Very low83 Ų83134.7 Ų134.769%0.68678%0.784SS**  trans-76.3163.4-165.500000116.1
325D31.3Very low39.4Very low147 Ų147133.5 Ų133.579%0.78678%0.776SS**  -165.5155.5116.2-136.9-17.2000117.3
326T36.9Very low39.2Very low106 Ų106140 Ų14065%0.6579%0.786SS**  trans42114.3153.743.80000126.3
327Q35.6Very low39Very low179 Ų179143 Ų14384%0.83679%0.787SS**  77.4149.7119.3-67.2-71-49.200123.5
328P47Very low39.4Very low107 Ų107142.5 Ų142.570%0.69578%0.783SS**  trans-115168.6-166.942.6-31.3000116
329M33.5Very low39Very low176 Ų176145.3 Ų145.387%0.86779%0.793SS**  trans-116.5141.4166.4-92.1-120.37100112.3
330Q45.4Very low38.4Very low160 Ų160147.9 Ų147.975%0.74879%0.794SS**  trans-72.1171171.1-63.8176.6-69.400112.3
331P46.8Very low38.3Very low127 Ų127145.1 Ų145.183%0.82579%0.789SS**  -134139.1120.935.7-26.6000114.5
332Q35.7Very low38.2Very low174 Ų174144 Ų14481%0.81379%0.79SS**  trans-137.2135.3155.7-91.4-147.8-52.400109.9
333A34.5Very low38.2Very low105 Ų105138 Ų13887%0.86879%0.788SS**  trans-152.1129.8157.100000109.7
334S36.4Very low38.5Very low105 Ų105136.6 Ų136.673%0.73479%0.788SS**  trans-86.5-157.9-180-420000110
335P51.9Low38.5Very low100 Ų100139.8 Ų139.865%0.64979%0.794SS**  cis-136.5178.1-9.540.9-23.2000115
336F34.7Very low39.3Very low204 Ų204138.9 Ų138.990%0.89580%0.796SS**  172.3145.9128.1-94.2-66.8000110.9
337Q39.3Very low39.3Very low185 Ų185140.4 Ų140.486%0.86481%0.805SS**  trans-115.1-155178.4-59.7-172.2-7800111.6
338P57.1Low39.5Very low115 Ų115140.6 Ų140.675%0.74780%0.803SS**  -125.3176.7-109.639.4-20000114.7
339S30.6Very low39.5Very low121 Ų121142.2 Ų142.285%0.84681%0.806SS**  trans-158.8155159.651.10000113.7
340H38.7Very low40.2Very low176 Ų176138.2 Ų138.282%0.81579%0.793SS**  trans-89.5153.3-170-45.1-104.4000112.5
341N32.8Very low40.3Very low151 Ų151139.9 Ų139.981%0.80780%0.799SS**  176.2174.8106.3-115.8-6.4000115.8
342L35.8Very low40.1Very low161 Ų161138.5 Ų138.584%0.84380%0.798SS**  trans-53.7155.1-176.4-68.367.7000116.6
343G32.5Very low40.5Very low82 Ų82135.8 Ų135.885%0.84580%0.798SS**  trans-177.6120.3159.100000113.6
344S37.5Very low41.3Very low105 Ų105136.8 Ų136.873%0.73480%0.796SS**  trans-95156.7-176.851.80000114.4
345N34.8Very low41.4Very low149 Ų149137 Ų13780%0.79780%0.798SS**  trans99.3126.7166.5-62.2-18.9000117.6
346P48.7Very low41.3Very low129 Ų129138.4 Ų138.484%0.83881%0.806SS**  trans-91.2149.8169.136.2-32.3000112.4
347T36.2Very low41.2Very low137 Ų137138.3 Ų138.384%0.8481%0.809SS**  trans-121.5115.2175.8-67.80000110.9
348F39.6Very low41.3Very low183 Ų183134.9 Ų134.980%0.80381%0.805SS**  trans61.3122.6144.8-146.3-103.9000121P350F348-P350 HydrophobicContact CD1-CB 4.23Å; F348-P350 HydrophobicContact CE1-CB 3.88Å
349D48Very low40.4Very low141 Ų141136.9 Ų136.975%0.75482%0.815SS**  trans-120.3122.1167.4-171.2-14.9000108.3F351D349-F351 PolarHBondContact O-N 2.85Å
350P47.5Very low40.5Very low92 Ų92134.3 Ų134.360%0.59781%0.808SS**SBendtrans-93.726.3-161.637.6-38.9000116.3F348F348-P350 HydrophobicContact CD1-CB 4.23Å; F348-P350 HydrophobicContact CE1-CB 3.88Å
351F46.7Very low40.6Very low195 Ų195133.8 Ų133.886%0.85581%0.809SS**  trans-135.376.5176.1-101-85.8000114.2D349D349-F351 PolarHBondContact O-N 2.85Å
352A42.5Very low40.9Very low98 Ų98135.1 Ų135.181%0.8182%0.816SS**  trans-134.3110.8166.800000111.2
353S45.7Very low40.7Very low117 Ų117132.5 Ų132.582%0.81881%0.811SS**PPolyproline II helixtrans-78.5137.2179.2-53.80000111.9
354P50.8Low40.8Very low126 Ų126133.4 Ų133.482%0.81880%0.804SS**PPolyproline II helixtrans-86146.8-179.733.3-34.3000113.5
355S38.2Very low40.8Very low111 Ų111133.8 Ų133.878%0.77681%0.807SS**PPolyproline II helixtrans-92.4156.9162.552.40000110.8
356P48.7Very low40.8Very low128 Ų128130.6 Ų130.683%0.83181%0.809SS**PPolyproline II helixtrans-88150.3-164.333.9-35.5000114.2
357Q34.3Very low40Very low203 Ų203127.7 Ų127.795%0.94980%0.803SS**  trans-120.1153.9163.3-74.8-167.1-14.500111.6
358S40.3Very low40.3Very low113 Ų113129 Ų12979%0.7980%0.803SS**  trans-107.5131.6-165.255.10000114.4
359V38.3Very low40.9Very low156 Ų156125.3 Ų125.395%0.94580%0.797SS**  trans-163.6153.8151.1-78.70000106.9
360G33.2Very low40.2Very low68 Ų68127 Ų12770%0.70179%0.794SS**  cis163.9106.7-5.400000111.3
361I39.8Very low40Very low164 Ų164129.1 Ų129.184%0.84181%0.805SS**  trans56.3119.8157.6-55.1-179.5000119.8
362L40.1Very low39.4Very low180 Ų180127.1 Ų127.194%0.94280%0.798SS**  -152.2151.6129.3-113.2144.5000110.9
363S31.3Very low39.3Very low106 Ų106129.7 Ų129.774%0.74179%0.791SS**  trans-105.6150.4-159.9-175.50000113.2
364S34.8Very low39.5Very low101 Ų101129.9 Ų129.971%0.70679%0.79SS**  176.2130.9122.6-167.90000115.3
365S36.6Very low38.8Very low112 Ų112127.4 Ų127.478%0.78378%0.775SS**  trans57.1118.214261.40000123.9
366G34.7Very low38.6Very low83 Ų83131.6 Ų131.686%0.85678%0.78SS**  trans156.8122.3153.500000114.6
367G32.8Very low38Very low68 Ų68132.6 Ų132.670%0.70178%0.778SS**  trans-80.8150.7-174.200000116.1
368I42.2Very low38Very low165 Ų165126 Ų12685%0.84677%0.765SS**  81.9133.468.8-70.6-77.1000112.5
369P53.5Low38Very low104 Ų104129.3 Ų129.368%0.67577%0.773SS**  cis-145.9169.7-20.541-21.4000118.2
370Y32.8Very low37.9Very low178 Ų178124.8 Ų124.870%0.69876%0.757SS**  trans36.9127132.6-155.9-91.5000124.5E372Y370-E372 HydrophobicContact CE1-CB 4.22Å; Y370-E372 HydrophobicContact CE1-CG 4.2Å
371V42.1Very low37.9Very low135 Ų135127.3 Ų127.382%0.81877%0.765SS**  trans-174156.9130.3-91.30000108.4
372E36Very low37.9Very low153 Ų153129.1 Ų129.172%0.71576%0.762SS**  cis-156.3155.6-40.6-176.4164.9114.500106.9Y370Y370-E372 HydrophobicContact CE1-CB 4.22Å; Y370-E372 HydrophobicContact CE1-CG 4.2Å
373K39.7Very low37.8Very low152 Ų152125.5 Ų125.566%0.66175%0.752SS**  trans-93.8152.9-177.5-153.9-164.7173.2-1590110.8S375K373-S375 WeakPolarHBondContact CD-OG 3.24Å; K373-S375 VanDerWaalsContact CE-OG 3.31Å; K373-S375 WeakPolarHBondContact CE-OG 3.37Å; K373-S375 PolarHBondContact NZ-OG 3.03Å
374P49.8Very low38.4Very low121 Ų121127.2 Ų127.279%0.78675%0.752SS**  -138.4131.7103.632.8-19.1000111.6
375S35.1Very low38.5Very low74 Ų74130.9 Ų130.952%0.51776%0.758SS.*  67.692.968.7-71.30000113.1K373K373-S375 WeakPolarHBondContact CD-OG 3.24Å; K373-S375 VanDerWaalsContact CE-OG 3.31Å; K373-S375 WeakPolarHBondContact CE-OG 3.37Å; K373-S375 PolarHBondContact NZ-OG 3.03Å
376F34.6Very low38.8Very low199 Ų199134.8 Ų134.887%0.87376%0.757SS**  trans-134117.7152.9-172-96.4000107.8
377D37.5Very low39.6Very low150 Ų150136.3 Ų136.380%0.80275%0.752SS**  trans-88.1137.9174.3-81-66.2000110
378G32.9Very low40Very low65 Ų65139.1 Ų139.167%0.6776%0.761SS**  trans-161.4101.2179.800000111.9
379L39.7Very low40.3Very low182 Ų182139.9 Ų139.995%0.95376%0.761SS**  trans-52.6148.8-179.4-89.763.3000113.7
380G36.3Very low39.9Very low60 Ų60140 Ų14062%0.61976%0.764SS**  trans158.438160.300000118.6Y382G380-Y382 WeakPolarHBondContact O-CD1 3.4Å; G380-Y382 PolarHBondContact O-N 2.8Å
381S34Very low40.6Very low122 Ų122141.2 Ų141.285%0.85377%0.773SS**  trans-79.3107.5174.6-165.30000111.1
382Y40.4Very low41.1Very low201 Ų201143 Ų14379%0.78877%0.773SS**  trans-95.599.5173.546.4-88.7000110.6G380 L384G380-Y382 WeakPolarHBondContact O-CD1 3.4Å; G380-Y382 PolarHBondContact O-N 2.8Å; Y382-L384 PolarHBondContact O-N 3.13Å
383S36.8Very low42.1Very low105 Ų105141.4 Ų141.473%0.73478%0.776SS**  trans-83.392174.632.90000111.4Q385S383-Q385 VanDerWaalsContact C-N 3.33Å; S383-Q385 PolarHBondContact O-N 2.83Å
384L45.1Very low42.8Very low142 Ų142140.4 Ų140.474%0.74378%0.782SS**  trans-7881.2170.3-73177.5000111.4Y382 Y386Y382-L384 PolarHBondContact O-N 3.13Å; L384-Y386 PolarHBondContact O-N 3.39Å; L384-Y386 VanDerWaalsContact O-N 3.16Å
385Q36.5Very low42.9Very low177 Ų177140.6 Ų140.683%0.82778%0.781SS**  trans-73.995170.6-170.97848.900110.1S383S383-Q385 VanDerWaalsContact C-N 3.33Å; S383-Q385 PolarHBondContact O-N 2.83Å
386Y42.2Very low43.6Very low194 Ų194144.8 Ų144.876%0.76180%0.797SS**  trans-71.4132.9169.9-91.4-92.8000110.9L384L384-Y386 PolarHBondContact O-N 3.39Å; L384-Y386 VanDerWaalsContact O-N 3.16Å
387P52.9Low44.4Very low115 Ų115139.5 Ų139.575%0.74779%0.79SS**  trans-77.3126169.530.4-31.9000110.6Q389P387-Q389 PolarHBondContact O-N 3.5Å; P387-Q389 VanDerWaalsContact O-N 3.09Å
388S40Very low44.8Very low128 Ų128143.9 Ų143.990%0.89581%0.813SS**  trans-73.693.6173.932.70000111
389Q47.9Very low45.4Very low180 Ų180147.8 Ų147.884%0.84182%0.82SS**PPolyproline II helixtrans-85.1117.7173.6-151.9179.543.300110.4P387P387-Q389 PolarHBondContact O-N 3.5Å; P387-Q389 VanDerWaalsContact O-N 3.09Å
390S45.8Very low45.7Very low107 Ų107146 Ų14675%0.74881%0.813SS**PPolyproline II helixtrans-77.5123.3176.345.70000111.1
391F47.8Very low46.3Very low203 Ų203150.8 Ų150.889%0.8982%0.824SS**PPolyproline II helixtrans-68.1130.8170.6-85-97.9000110.4
392Q51.9Low47Very low173 Ų173152.5 Ų152.581%0.80882%0.822SS**PPolyproline II helixtrans-92.4142.2165-66.2-159.7-0.700110.3V394Q392-V394 PolarHBondContact O-N 3.2Å
393P57.1Low47.4Very low120 Ų120149.4 Ų149.478%0.77983%0.825SS**PPolyproline II helixtrans-73.1119.1176.729.3-33.1000110.7V395P393-V395 PolarHBondContact O-N 3.18Å
394V53.7Low48.1Very low131 Ų131152.4 Ų152.479%0.79483%0.831SS**PPolyproline II helixtrans-75.8116.5169176.50000108.7Q392 L396Q392-V394 PolarHBondContact O-N 3.2Å; V394-L396 PolarHBondContact O-N 3.45Å
395V52.4Low48.3Very low125 Ų125153.1 Ų153.176%0.75884%0.837SS**  trans-78.2113.1171.2-1800000108.3P393P393-V395 PolarHBondContact O-N 3.18Å
396L49.8Very low49.2Very low161 Ų161151.3 Ų151.384%0.84384%0.838SS**  trans-73.1125160.9-95.189.1000108.8V394V394-L396 PolarHBondContact O-N 3.45Å
397A50.8Low49.8Very low89 Ų89147.8 Ų147.874%0.73684%0.844SS**  trans-115.5120.5168.100000108.9
398N47.5Very low49.5Very low241 Ų241150.7 Ų150.7100%1.28985%0.853SS**  trans47.80174.2-95.10.4000118

Retrieved 398 of 398 residues in 195.4 ms (Link to these results)

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