A0A077Z1E8_TRITR Loading...

Prolyl endopeptidase

AlphaFold DB , UniProt , Accession A0A077Z1E8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 715 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
1M38Very low75.8Confident211 Ų21197.8 Ų97.8100%1.03954%0.541SS*.  0133.40-67.4176.3-171.600106.8S3M1-S3 PolarHBondContact O-N 2.78Å; M1-S3 VanDerWaalsContact O-N 3.11Å
2S36.2Very low77.6Confident101 Ų10198.3 Ų98.371%0.70653%0.528SS*.  trans-50.3117166168.50000107.3D4S2-D4 PolarHBondContact O-N 2.98Å; S2-D4 PolarHBondContact OG-OD1 3.33Å
3S51.9Low79.2Confident91 Ų9195.9 Ų95.964%0.63651%0.507SS*.  trans-72.792.7169.964.80000105.9M1 K5M1-S3 PolarHBondContact O-N 2.78Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-K5 PolarHBondContact O-N 2.76Å; S3-K5 VanDerWaalsContact O-N 3.07Å
4D62.9Low80.6Confident136 Ų13692.6 Ų92.673%0.72749%0.49SS*.  trans-52.2123.7171-71.7-17.4000107.4S2 L6S2-D4 PolarHBondContact O-N 2.98Å; S2-D4 PolarHBondContact OG-OD1 3.33Å; D4-L6 PolarHBondContact O-N 2.81Å
5K78.1Confident81.6Confident178 Ų17892.2 Ų92.277%0.77448%0.484SS*.  trans-58.7113.5-173.9-173.7179.5179.7-175.70107.7S3 T7S3-K5 PolarHBondContact O-N 2.76Å; S3-K5 VanDerWaalsContact O-N 3.07Å; K5-T7 PolarHBondContact O-N 3.01Å
6L90.3Very high82.6Confident48 Ų4898.1 Ų98.125%0.25151%0.505SS..PPolyproline II helixtrans-59.5132.8177.3-76.1173.9000109.4D4 Y8 V51 Y55 P674 L676D4-L6 PolarHBondContact O-N 2.81Å; L6-Y8 HydrophobicContact CB-CE1 3.89Å; L6-Y8 HydrophobicContact CB-CE2 4.45Å; L6-Y8 HydrophobicContact CD1-CE1 4.08Å; L6-V51 HydrophobicContact CD2-CG1 4.19Å; L6-Y55 HydrophobicContact CD1-CD2 3.86Å; L6-Y55 HydrophobicContact CD1-CE2 4.14Å; L6-Y55 HydrophobicContact CD2-CD2 4Å; L6-Y55 HydrophobicContact CG-CD2 4.3Å; L6-P674 HydrophobicContact CD1-CB 3.58Å; L6-L676 HydrophobicContact CD1-CD2 4.2Å
7T92.1Very high83.5Confident120 Ų12095.6 Ų95.674%0.73649%0.492SS*.PPolyproline II helixtrans-99117.9170.6-57.60000107.4K5K5-T7 PolarHBondContact O-N 3.01Å
8Y95.7Very high84.2Confident49 Ų4993.4 Ų93.419%0.19249%0.487CS..PPolyproline II helixtrans-91.8144.3-177.4-61.8-60000111.2L6 Y662 I665 P674 I675L6-Y8 HydrophobicContact CB-CE1 3.89Å; L6-Y8 HydrophobicContact CB-CE2 4.45Å; L6-Y8 HydrophobicContact CD1-CE1 4.08Å; Y8-Y662 HydrophobicContact CD1-CD1 4.02Å; Y8-Y662 AromaticContact CD1-CE1 3.36Å; Y8-Y662 HydrophobicContact CD1-CE1 3.36Å; Y8-Y662 HydrophobicContact CD1-CE2 4.09Å; Y8-Y662 AromaticContact CD1-CZ 3.4Å; Y8-Y662 VanDerWaalsContact CD1-CZ 3.4Å; Y8-Y662 HydrophobicContact CD2-CD1 4.02Å; Y8-Y662 HydrophobicContact CD2-CE1 4.15Å; Y8-Y662 AromaticContact CE1-CE1 3.76Å; Y8-Y662 HydrophobicContact CE1-CE1 3.76Å; Y8-Y662 HydrophobicContact CE2-CE1 4.47Å; Y8-Y662 AromaticContact CG-CD1 3.73Å; Y8-Y662 HydrophobicContact CG-CD1 3.73Å; Y8-Y662 HydrophobicContact CG-CD2 4.3Å; Y8-Y662 AromaticContact CG-CE1 3.59Å; Y8-Y662 HydrophobicContact CG-CE1 3.59Å; Y8-Y662 HydrophobicContact CG-CE2 4.18Å; Y8-Y662 HydrophobicContact CG-CG 4.09Å; Y8-Y662 AromaticContact CG-CZ 3.83Å; Y8-I665 HydrophobicContact CD2-CD1 4.12Å; Y8-I665 HydrophobicContact CE2-CD1 3.69Å; Y8-P674 WeakPolarHBondContact OH-CA 3.44Å; Y8-I675 WeakPolarHBondContact CE1-O 3.31Å; Y8-I675 PolarHBondContact OH-N 2.76Å
9P95.8Very high84.9Confident14 Ų1490.7 Ų90.79%0.09147%0.473CS..PPolyproline II helixtrans-60.9136.1172.5-2234.6000111.1Y44 E47 L48 V51 Y662P9-Y44 HydrophobicContact CB-CD2 4.19Å; P9-Y44 HydrophobicContact CB-CE2 3.81Å; P9-E47 HydrophobicContact CB-CB 3.75Å; P9-E47 HydrophobicContact CG-CB 3.65Å; P9-L48 HydrophobicContact CG-CD2 4.25Å; P9-V51 HydrophobicContact CG-CG2 4.19Å; P9-Y662 WeakPolarHBondContact O-CD2 3.5Å
10V95.1Very high85.5Confident119 Ų11991.4 Ų91.472%0.72148%0.477SS*.  trans-93.1111.4179.7-1800000108.9
11A97.6Very high86Confident9 Ų988 Ų887%0.07446%0.458CS..PPolyproline II helixtrans-74131.3170.800000110.2R13 Y30 W32 Y44 A659A11-R13 PolarHBondContact O-N 2.97Å; A11-Y30 HydrophobicContact CB-CD1 3.85Å; A11-Y30 HydrophobicContact CB-CE1 3.61Å; A11-W32 HydrophobicContact CB-CZ2 4.07Å; A11-Y44 HydrophobicContact CB-CD2 4.37Å; A11-Y44 HydrophobicContact CB-CE1 4.37Å; A11-Y44 HydrophobicContact CB-CE2 3.75Å; A11-A659 HydrophobicContact CB-CB 3.7Å
12R98Very high88.8Confident104 Ų10482 Ų8239%0.39243%0.428SS..PPolyproline II helixtrans-57.1135.7171.1-177.5-178.759.582.80.5109.6D14 Y30 W32 E40R12-D14 IonicContact NH1-OD2 2.73Å; R12-Y30 WeakPolarHBondContact O-CD1 3.25Å; R12-W32 HydrophobicContact CB-CZ2 4.46Å; R12-W32 PolarHBondContact O-NE1 3.31Å; R12-E40 WeakPolarHBondContact CB-OE1 3.35Å; R12-E40 IonicContact CZ-OE1 2.81Å; R12-E40 IonicContact CZ-OE2 3.22Å; R12-E40 IonicContact NE-OE1 2.74Å; R12-E40 PolarHBondContact NE-OE1 3.39Å; R12-E40 IonicContact NE-OE2 3.64Å; R12-E40 IonicContact NH2-OE1 3.2Å; R12-E40 IonicContact NH2-OE2 4Å; R12-E40 PolarHBondContact NH2-OE2 3.49Å
13R98.3Very high91.7Very high67 Ų6780.1 Ų80.125%0.25342%0.424SS..PPolyproline II helixtrans-102.5125.2174.3-66.7176.861.586.5-2.4109.9A11 E15 P29 Y30 E660 H663A11-R13 PolarHBondContact O-N 2.97Å; R13-E15 IonicContact CZ-OE1 2.79Å; R13-E15 IonicContact NE-OE1 3.24Å; R13-E15 PolarHBondContact NE-OE1 2.86Å; R13-E15 IonicContact NH2-OE1 2.66Å; R13-E15 PolarHBondContact NH2-OE1 2.89Å; R13-E15 IonicContact NH2-OE2 3.58Å; R13-P29 HydrophobicContact CB-CB 4.01Å; R13-P29 HydrophobicContact CG-CB 4.3Å; R13-Y30 HydrophobicContact CG-CD1 4.49Å; R13-Y30 HydrophobicContact CG-CE1 3.52Å; R13-Y30 WeakPolarHBondContact CG-OH 3.42Å; R13-Y30 PolarHBondContact NH1-OH 2.91Å; R13-E660 IonicContact NH1-OE2 2.76Å; R13-E660 PolarHBondContact NH1-OE2 3.44Å; R13-H663 VanDerWaalsContact CZ-CD2 3.47Å; R13-H663 PolarHBondContact NH1-CD2 2.71Å
14D97.9Very high93.8Very high50 Ų5080.1 Ų80.127%0.26742%0.416SS..  trans-100.685.5169.5-161.6-23.4000110.7R12 K16 I17 P29R12-D14 IonicContact NH1-OD2 2.73Å; D14-K16 PolarHBondContact O-N 3.06Å; D14-K16 WeakPolarHBondContact OD1-CB 3.3Å; D14-K16 PolarHBondContact OD1-N 3.1Å; D14-I17 HydrophobicContact CB-CG1 4.01Å; D14-I17 PolarHBondContact O-N 3.07Å; D14-I17 VanDerWaalsContact O-N 3.1Å; D14-P29 PolarHBondContact N-O 3.28Å; D14-P29 WeakPolarHBondContact O-CA 3.18Å
15E96.7Very high95.5Very high86 Ų8678.2 Ų78.240%0.40241%0.409SS..THydrogen-bonded Turntrans-63.5-8-175.8-66.1-67.4164.300114.5R13 K27R13-E15 IonicContact CZ-OE1 2.79Å; R13-E15 IonicContact NE-OE1 3.24Å; R13-E15 PolarHBondContact NE-OE1 2.86Å; R13-E15 IonicContact NH2-OE1 2.66Å; R13-E15 PolarHBondContact NH2-OE1 2.89Å; R13-E15 IonicContact NH2-OE2 3.58Å; E15-K27 IonicContact OE2-NZ 2.78Å; E15-K27 PolarHBondContact OE2-NZ 2.8Å
16K97.3Very high96.4Very high186 Ų18671.1 Ų71.181%0.80938%0.379SS*.THydrogen-bonded Turntrans-83.1-20.1177.2-61176.9-177.3174.30112.5D14D14-K16 PolarHBondContact O-N 3.06Å; D14-K16 WeakPolarHBondContact OD1-CB 3.3Å; D14-K16 PolarHBondContact OD1-N 3.1Å
17I97.4Very high96.8Very high56 Ų5674.7 Ų74.729%0.28739%0.393SS..  trans-83.4122.8-176.9-55.4-60.9000110D14 D28 R31D14-I17 HydrophobicContact CB-CG1 4.01Å; D14-I17 PolarHBondContact O-N 3.07Å; D14-I17 VanDerWaalsContact O-N 3.1Å; I17-D28 HydrophobicContact CG2-CB 4.36Å; I17-D28 PolarHBondContact O-N 2.85Å; I17-R31 HydrophobicContact CG2-CB 3.77Å; I17-R31 HydrophobicContact CG2-CG 4.05Å
18S96.8Very high97.1Very high57 Ų5769.3 Ų69.340%0.39936%0.36SS..EExtended strand (participates in β ladder)trans-151.7157174.456.20000109.9I26S18-I26 CarbonylContact C-O 3.54Å; S18-I26 WeakPolarHBondContact CA-O 3.24Å; S18-I26 VanDerWaalsContact CB-O 3.3Å; S18-I26 WeakPolarHBondContact CB-O 3.29Å
19D96.2Very high97.2Very high42 Ų4267.4 Ų67.423%0.22535%0.353CS..EExtended strand (participates in β ladder)trans-116.9147170.4-64.1-44.7000108.7F21 I26 R31 R591D19-F21 HydrophobicContact CB-CD2 4.12Å; D19-F21 HydrophobicContact CB-CE2 3.58Å; D19-F21 HydrophobicContact CB-CZ 4.29Å; D19-I26 PolarHBondContact N-O 3.4Å; D19-I26 PolarHBondContact O-N 2.86Å; D19-R31 IonicContact OD1-NH1 3.12Å; D19-R31 IonicContact OD1-NH2 2.79Å; D19-R31 IonicContact OD2-CZ 2.68Å; D19-R31 IonicContact OD2-NH1 3.19Å; D19-R31 IonicContact OD2-NH2 2.7Å; D19-R31 PolarHBondContact OD2-NH2 3.2Å; D19-R591 IonicContact OD2-NH1 2.89Å; D19-R591 PolarHBondContact OD2-NH1 2.91Å; D19-R591 VanDerWaalsContact OD2-NH1 3.17Å
20D96.9Very high97.3Very high103 Ų10367 Ų6755%0.55135%0.35SS*.EExtended strand (participates in β ladder)trans-93124.8167.9-175.7-91.1000109.6H22 G23D20-H22 PolarHBondContact OD1-N 3.3Å; D20-G23 PolarHBondContact OD1-N 3.17Å; D20-G23 VanDerWaalsContact OD2-CA 3.25Å; D20-G23 WeakPolarHBondContact OD2-CA 3.25Å; D20-G23 PolarHBondContact OD2-N 3.09Å
21F96.6Very high97.4Very high21 Ų2163.7 Ų63.79%0.09232%0.324CS..EExtended strand (participates in β ladder)trans-117.599.8170.7-70.5-88.6000108.8D19 G23 I24 I26 L590 P608 F614D19-F21 HydrophobicContact CB-CD2 4.12Å; D19-F21 HydrophobicContact CB-CE2 3.58Å; D19-F21 HydrophobicContact CB-CZ 4.29Å; F21-G23 VanDerWaalsContact C-N 3.28Å; F21-G23 PolarHBondContact O-N 2.97Å; F21-I24 PolarHBondContact N-O 3.16Å; F21-I24 WeakPolarHBondContact O-CB 3.48Å; F21-I24 PolarHBondContact O-N 3.32Å; F21-I26 HydrophobicContact CD2-CB 4.2Å; F21-I26 HydrophobicContact CD2-CG1 3.86Å; F21-I26 HydrophobicContact CE2-CB 4.44Å; F21-I26 HydrophobicContact CE2-CG1 4.48Å; F21-L590 HydrophobicContact CE1-CB 4.45Å; F21-L590 HydrophobicContact CE2-CB 4.31Å; F21-L590 HydrophobicContact CE2-CD1 4.21Å; F21-L590 HydrophobicContact CZ-CB 3.91Å; F21-P608 HydrophobicContact CD1-CB 4.34Å; F21-P608 HydrophobicContact CE1-CB 3.79Å; F21-F614 HydrophobicContact CB-CD1 4.35Å; F21-F614 HydrophobicContact CB-CD2 3.54Å; F21-F614 HydrophobicContact CB-CE1 4.13Å; F21-F614 HydrophobicContact CB-CE2 3.27Å; F21-F614 HydrophobicContact CB-CG 4.08Å; F21-F614 HydrophobicContact CB-CZ 3.59Å; F21-F614 AromaticContact CD1-CD2 3.74Å; F21-F614 HydrophobicContact CD1-CD2 3.74Å; F21-F614 HydrophobicContact CD1-CE2 4.05Å; F21-F614 HydrophobicContact CD2-CE2 4.01Å; F21-F614 AromaticContact CG-CD2 3.7Å; F21-F614 HydrophobicContact CG-CD2 3.7Å; F21-F614 AromaticContact CG-CE2 3.53Å; F21-F614 HydrophobicContact CG-CE2 3.53Å; F21-F614 HydrophobicContact CG-CZ 4.32Å
22H97.2Very high97.4Very high86 Ų8664.9 Ų64.940%0.39833%0.327SS..THydrogen-bonded Turntrans58.839174.3-46.3-67.3000112.8D20 I24 P608 R609 F614D20-H22 PolarHBondContact OD1-N 3.3Å; H22-I24 VanDerWaalsContact C-N 3.35Å; H22-P608 PolarHBondContact NE2-O 2.82Å; H22-P608 VanDerWaalsContact NE2-O 3.14Å; H22-R609 PolarHBondContact CE1-O 3.3Å; H22-F614 AromaticContact CD2-CD1 3.84Å; H22-F614 AromaticContact CD2-CG 3.79Å
23G96.7Very high97.4Very high61 Ų6160 Ų6063%0.62931%0.309SS*.THydrogen-bonded Turntrans83.93.6-176.900000114.9D20 F21D20-G23 PolarHBondContact OD1-N 3.17Å; D20-G23 VanDerWaalsContact OD2-CA 3.25Å; D20-G23 WeakPolarHBondContact OD2-CA 3.25Å; D20-G23 PolarHBondContact OD2-N 3.09Å; F21-G23 VanDerWaalsContact C-N 3.28Å; F21-G23 PolarHBondContact O-N 2.97Å
24I96.9Very high97.3Very high90 Ų9058.3 Ų58.346%0.46230%0.304SS..EExtended strand (participates in β ladder)trans-105.2114.2174.6-62.1163.6000108.7F21 H22 I26 F614F21-I24 PolarHBondContact N-O 3.16Å; F21-I24 WeakPolarHBondContact O-CB 3.48Å; F21-I24 PolarHBondContact O-N 3.32Å; H22-I24 VanDerWaalsContact C-N 3.35Å; I24-I26 HydrophobicContact CG2-CD1 3.8Å; I24-I26 HydrophobicContact CG2-CG1 4.43Å; I24-I26 PolarHBondContact O-N 2.93Å; I24-F614 HydrophobicContact CB-CE1 4.46Å; I24-F614 HydrophobicContact CB-CZ 4.38Å; I24-F614 HydrophobicContact CD1-CE1 3.76Å; I24-F614 HydrophobicContact CD1-CZ 4.41Å; I24-F614 HydrophobicContact CG2-CZ 4.42Å
25T97.5Very high97.1Very high96 Ų9660 Ų6059%0.58931%0.313SS*.EExtended strand (participates in β ladder)trans-75.8119.9175.3-52.10000110.9
26I97.9Very high96.7Very high29 Ų2957.8 Ų57.815%0.14931%0.307CS..EExtended strand (participates in β ladder)trans-110.4121.5174.3-55.9-61.2000108.8S18 D19 F21 I24 L590 F614 I618S18-I26 CarbonylContact C-O 3.54Å; S18-I26 WeakPolarHBondContact CA-O 3.24Å; S18-I26 VanDerWaalsContact CB-O 3.3Å; S18-I26 WeakPolarHBondContact CB-O 3.29Å; D19-I26 PolarHBondContact N-O 3.4Å; D19-I26 PolarHBondContact O-N 2.86Å; F21-I26 HydrophobicContact CD2-CB 4.2Å; F21-I26 HydrophobicContact CD2-CG1 3.86Å; F21-I26 HydrophobicContact CE2-CB 4.44Å; F21-I26 HydrophobicContact CE2-CG1 4.48Å; I24-I26 HydrophobicContact CG2-CD1 3.8Å; I24-I26 HydrophobicContact CG2-CG1 4.43Å; I24-I26 PolarHBondContact O-N 2.93Å; I26-L590 HydrophobicContact CG1-CD1 4.25Å; I26-L590 HydrophobicContact CG2-CD1 4.02Å; I26-F614 HydrophobicContact CD1-CZ 4.44Å; I26-F614 HydrophobicContact CG1-CE2 4.39Å; I26-F614 HydrophobicContact CG1-CZ 4.39Å; I26-I618 HydrophobicContact CD1-CD1 4.04Å
27K97.6Very high96.3Very high124 Ų12454 Ų5454%0.53929%0.29SS..EExtended strand (participates in β ladder)trans-73.8143.9175.2-71.3-173.5167.2-165.30111E15E15-K27 IonicContact OE2-NZ 2.78Å; E15-K27 PolarHBondContact OE2-NZ 2.8Å
28D98.1Very high96.1Very high7 Ų752.6 Ų52.64%0.03729%0.285CS..  trans-135.571.5172.6-168.8-0000111I17 Y30 R31 R591 K656I17-D28 HydrophobicContact CG2-CB 4.36Å; I17-D28 PolarHBondContact O-N 2.85Å; D28-Y30 PolarHBondContact O-N 2.75Å; D28-R31 VanDerWaalsContact CB-NH2 3.34Å; D28-R31 WeakPolarHBondContact O-CB 3.08Å; D28-R31 PolarHBondContact O-N 3.32Å; D28-R31 IonicContact OD2-CZ 3.62Å; D28-R31 IonicContact OD2-NE 2.75Å; D28-R31 PolarHBondContact OD2-NE 3.27Å; D28-R31 IonicContact OD2-NH2 3.58Å; D28-R31 PolarHBondContact OD2-NH2 3.44Å; D28-R591 WeakPolarHBondContact OD2-CD 3.35Å; D28-R591 IonicContact OD2-NE 2.9Å; D28-K656 VanDerWaalsContact CG-NZ 3.32Å; D28-K656 WeakPolarHBondContact OD1-CE 3.5Å; D28-K656 IonicContact OD1-NZ 3.44Å; D28-K656 PolarHBondContact OD1-NZ 3.47Å; D28-K656 IonicContact OD2-NZ 3.21Å; D28-K656 PolarHBondContact OD2-NZ 3.36Å
29P98.4Very high96.2Very high8 Ų855.4 Ų55.45%0.05229%0.292CS..THydrogen-bonded Turntrans-66.3-13.5-171.828.2-35.3000113.6R13 D14R13-P29 HydrophobicContact CB-CB 4.01Å; R13-P29 HydrophobicContact CG-CB 4.3Å; D14-P29 PolarHBondContact N-O 3.28Å; D14-P29 WeakPolarHBondContact O-CA 3.18Å
30Y98.6Very high96.2Very high5 Ų557 Ų572%0.0230%0.299CS..THydrogen-bonded Turntrans-109.517.8-178.1-54.1-60.8000113A11 R12 R13 D28 W32 L33 A659 E660 H663A11-Y30 HydrophobicContact CB-CD1 3.85Å; A11-Y30 HydrophobicContact CB-CE1 3.61Å; R12-Y30 WeakPolarHBondContact O-CD1 3.25Å; R13-Y30 HydrophobicContact CG-CD1 4.49Å; R13-Y30 HydrophobicContact CG-CE1 3.52Å; R13-Y30 WeakPolarHBondContact CG-OH 3.42Å; R13-Y30 PolarHBondContact NH1-OH 2.91Å; D28-Y30 PolarHBondContact O-N 2.75Å; Y30-W32 PolarHBondContact O-N 3.1Å; Y30-L33 WeakPolarHBondContact O-CB 3.49Å; Y30-L33 PolarHBondContact O-N 3.41Å; Y30-A659 HydrophobicContact CD1-CB 3.89Å; Y30-A659 HydrophobicContact CD2-CB 3.94Å; Y30-A659 HydrophobicContact CE1-CB 3.89Å; Y30-A659 HydrophobicContact CE2-CB 3.94Å; Y30-A659 HydrophobicContact CG-CB 3.92Å; Y30-A659 PolarHBondContact OH-O 2.97Å; Y30-E660 HydrophobicContact CD2-CB 4.43Å; Y30-E660 HydrophobicContact CE2-CB 3.95Å; Y30-E660 VanDerWaalsContact CE2-OE2 3.26Å; Y30-E660 WeakPolarHBondContact CE2-OE2 3.13Å; Y30-H663 VanDerWaalsContact OH-CB 3.25Å; Y30-H663 WeakPolarHBondContact OH-CB 3.44Å
31R97.6Very high96.2Very high50 Ų5052.3 Ų52.319%0.18927%0.274CS..G310 helixtrans-48.7-32.3177.4-179.560.157.979.34.4113.8I17 D19 D28 L33 E34 R591I17-R31 HydrophobicContact CG2-CB 3.77Å; I17-R31 HydrophobicContact CG2-CG 4.05Å; D19-R31 IonicContact OD1-NH1 3.12Å; D19-R31 IonicContact OD1-NH2 2.79Å; D19-R31 IonicContact OD2-CZ 2.68Å; D19-R31 IonicContact OD2-NH1 3.19Å; D19-R31 IonicContact OD2-NH2 2.7Å; D19-R31 PolarHBondContact OD2-NH2 3.2Å; D28-R31 VanDerWaalsContact CB-NH2 3.34Å; D28-R31 WeakPolarHBondContact O-CB 3.08Å; D28-R31 PolarHBondContact O-N 3.32Å; D28-R31 IonicContact OD2-CZ 3.62Å; D28-R31 IonicContact OD2-NE 2.75Å; D28-R31 PolarHBondContact OD2-NE 3.27Å; D28-R31 IonicContact OD2-NH2 3.58Å; D28-R31 PolarHBondContact OD2-NH2 3.44Å; R31-L33 PolarHBondContact O-N 3.17Å; R31-E34 WeakPolarHBondContact CD-OE1 3.33Å; R31-E34 WeakPolarHBondContact CD-OE2 3.47Å; R31-E34 IonicContact NE-OE1 3.52Å; R31-E34 PolarHBondContact NE-OE1 2.81Å; R31-E34 IonicContact NE-OE2 2.85Å; R31-E34 VanDerWaalsContact O-CB 3.3Å; R31-E34 WeakPolarHBondContact O-CB 3.13Å; R31-E34 WeakPolarHBondContact O-CG 3.42Å; R31-E34 PolarHBondContact O-N 2.66Å; R31-R591 VanDerWaalsContact NE-CZ 3.34Å
32W97.6Very high96.2Very high34 Ų3455.2 Ų55.213%0.12929%0.286CS..G310 helixtrans-62.9-23.6179.164.6-92.4000113.7A11 R12 Y30 E34 D35 E40 T41 Y44A11-W32 HydrophobicContact CB-CZ2 4.07Å; R12-W32 HydrophobicContact CB-CZ2 4.46Å; R12-W32 PolarHBondContact O-NE1 3.31Å; Y30-W32 PolarHBondContact O-N 3.1Å; W32-E34 PolarHBondContact O-N 2.99Å; W32-D35 PolarHBondContact O-N 2.89Å; W32-E40 HydrophobicContact CD2-CG 4.47Å; W32-E40 HydrophobicContact CE3-CB 3.98Å; W32-E40 HydrophobicContact CE3-CG 3.8Å; W32-E40 HydrophobicContact CH2-CG 3.89Å; W32-E40 HydrophobicContact CZ3-CB 3.82Å; W32-E40 HydrophobicContact CZ3-CG 3.47Å; W32-E40 VanDerWaalsContact CZ3-CG 3.47Å; W32-T41 PolarHBondContact O-OG1 2.88Å; W32-Y44 HydrophobicContact CH2-CG 4.2Å
33L97.4Very high96.2Very high1 Ų154.4 Ų54.41%0.00529%0.285CS..G310 helixtrans-70.7-8.1174-69.5171000113.5Y30 R31 D35 T41 Y44 C652 L655 K656 A659Y30-L33 WeakPolarHBondContact O-CB 3.49Å; Y30-L33 PolarHBondContact O-N 3.41Å; R31-L33 PolarHBondContact O-N 3.17Å; L33-D35 VanDerWaalsContact C-N 3.27Å; L33-T41 HydrophobicContact CD2-CG2 4.18Å; L33-Y44 HydrophobicContact CD1-CD1 4.27Å; L33-Y44 HydrophobicContact CD1-CE1 4.08Å; L33-Y44 HydrophobicContact CD2-CD1 3.59Å; L33-Y44 HydrophobicContact CD2-CE1 4.23Å; L33-Y44 HydrophobicContact CD2-CG 4.32Å; L33-C652 WeakPolarHBondContact O-CB 3.16Å; L33-L655 HydrophobicContact CB-CB 4.21Å; L33-L655 HydrophobicContact CD1-CB 3.97Å; L33-L655 HydrophobicContact CD2-CB 4.27Å; L33-L655 HydrophobicContact CD2-CD1 4.37Å; L33-L655 HydrophobicContact CG-CB 4.39Å; L33-K656 HydrophobicContact CB-CG 4.12Å; L33-K656 HydrophobicContact CD1-CG 4.42Å; L33-A659 HydrophobicContact CD1-CB 4.14Å
34E95.5Very high96.3Very high33 Ų3351.8 Ų51.815%0.15426%0.256CS..G310 helixtrans-74.6-18.8171.7-60.8-178.7-173.900112.3R31 W32 S36 R591 F595 C652 K656R31-E34 WeakPolarHBondContact CD-OE1 3.33Å; R31-E34 WeakPolarHBondContact CD-OE2 3.47Å; R31-E34 IonicContact NE-OE1 3.52Å; R31-E34 PolarHBondContact NE-OE1 2.81Å; R31-E34 IonicContact NE-OE2 2.85Å; R31-E34 VanDerWaalsContact O-CB 3.3Å; R31-E34 WeakPolarHBondContact O-CB 3.13Å; R31-E34 WeakPolarHBondContact O-CG 3.42Å; R31-E34 PolarHBondContact O-N 2.66Å; W32-E34 PolarHBondContact O-N 2.99Å; E34-S36 PolarHBondContact O-N 3.35Å; E34-R591 IonicContact OE1-CZ 2.66Å; E34-R591 IonicContact OE1-NE 3.95Å; E34-R591 PolarHBondContact OE1-NE 2.92Å; E34-R591 IonicContact OE1-NH2 3.68Å; E34-R591 IonicContact OE2-CZ 3.6Å; E34-R591 IonicContact OE2-NE 3.55Å; E34-R591 PolarHBondContact OE2-NE 2.99Å; E34-R591 IonicContact OE2-NH2 3.74Å; E34-R591 PolarHBondContact OE2-NH2 3.4Å; E34-F595 HydrophobicContact CB-CE1 4.32Å; E34-F595 VanDerWaalsContact CD-CZ 3.41Å; E34-F595 HydrophobicContact CG-CE1 4.29Å; E34-F595 HydrophobicContact CG-CZ 4.01Å; E34-F595 WeakPolarHBondContact OE2-CZ 3.48Å; E34-C652 HydrophobicContact CB-CB 4.49Å; E34-C652 HydrophobicContact CG-CB 4.23Å; E34-K656 HydrophobicContact CG-CD 4.1Å; E34-K656 IonicContact OE1-NZ 3.16Å; E34-K656 PolarHBondContact OE1-NZ 3.14Å
35D93.3Very high96.3Very high85 Ų8548.6 Ų48.646%0.45524%0.241SC..  trans-91.796.9170.6-178.32.3000110.4W32 L33 K37 S38 T41W32-D35 PolarHBondContact O-N 2.89Å; L33-D35 VanDerWaalsContact C-N 3.27Å; D35-K37 PolarHBondContact O-N 3.14Å; D35-K37 WeakPolarHBondContact OD1-CA 3.26Å; D35-K37 WeakPolarHBondContact OD1-CB 3.44Å; D35-K37 PolarHBondContact OD1-N 2.71Å; D35-S38 PolarHBondContact O-N 2.64Å; D35-S38 PolarHBondContact O-OG 2.74Å; D35-S38 PolarHBondContact OD1-N 3.33Å; D35-S38 WeakPolarHBondContact OD2-CB 3.37Å; D35-T41 VanDerWaalsContact O-CB 3.23Å; D35-T41 WeakPolarHBondContact O-CB 3.02Å; D35-T41 PolarHBondContact O-OG1 3.34Å
36S89Confident96.3Very high39 Ų3949.9 Ų49.927%0.27324%0.24SC..THydrogen-bonded Turntrans-68.6-19.2176.759.80000113.9E34 F203E34-S36 PolarHBondContact O-N 3.35Å; S36-F203 WeakPolarHBondContact OG-CD2 3.42Å; S36-F203 VanDerWaalsContact OG-CE2 3.27Å; S36-F203 WeakPolarHBondContact OG-CE2 3.38Å
37K88.4Confident96.3Very high106 Ų10653.2 Ų53.246%0.46126%0.255SS..THydrogen-bonded Turntrans-87.2-20.4-177.7-64.6-174.7176.9-1790111.7D35 K42 D201 C202D35-K37 PolarHBondContact O-N 3.14Å; D35-K37 WeakPolarHBondContact OD1-CA 3.26Å; D35-K37 WeakPolarHBondContact OD1-CB 3.44Å; D35-K37 PolarHBondContact OD1-N 2.71Å; K37-K42 WeakPolarHBondContact O-CE 3.29Å; K37-K42 PolarHBondContact O-NZ 2.75Å; K37-D201 IonicContact NZ-OD1 2.75Å; K37-D201 IonicContact NZ-OD2 3.17Å; K37-C202 PolarHBondContact NZ-SG 3.3Å
38S94.8Very high96.4Very high27 Ų2747.3 Ų47.319%0.18923%0.229CC..SBendtrans-60.2143.3178.177.30000112.7D35 E40 T41 K42D35-S38 PolarHBondContact O-N 2.64Å; D35-S38 PolarHBondContact O-OG 2.74Å; D35-S38 PolarHBondContact OD1-N 3.33Å; D35-S38 WeakPolarHBondContact OD2-CB 3.37Å; S38-E40 PolarHBondContact O-N 3.37Å; S38-T41 PolarHBondContact O-N 3.04Å; S38-T41 WeakPolarHBondContact OG-CB 3.48Å; S38-T41 PolarHBondContact OG-N 3.17Å; S38-T41 VanDerWaalsContact OG-N 3.16Å; S38-T41 PolarHBondContact OG-OG1 3.38Å; S38-K42 WeakPolarHBondContact O-CG 3.5Å; S38-K42 PolarHBondContact O-N 3.2Å; S38-K42 VanDerWaalsContact O-N 3.15Å
39E97.3Very high96.4Very high117 Ų11748 Ų4855%0.54723%0.233SC..Hα-helixtrans-66-31.1177-166.557.2-154.100111.7K42 N43E39-K42 PolarHBondContact O-N 2.91Å; E39-N43 WeakPolarHBondContact O-CB 3.34Å; E39-N43 VanDerWaalsContact O-CG 3.3Å; E39-N43 PolarHBondContact O-N 2.98Å; E39-N43 PolarHBondContact O-ND2 3.07Å
40E97.9Very high96.3Very high76 Ų7655.6 Ų55.636%0.35527%0.265SS..Hα-helixtrans-62.1-46.9175.5-159.4179.7-171.500110.7R12 W32 S38 N43 Y44R12-E40 WeakPolarHBondContact CB-OE1 3.35Å; R12-E40 IonicContact CZ-OE1 2.81Å; R12-E40 IonicContact CZ-OE2 3.22Å; R12-E40 IonicContact NE-OE1 2.74Å; R12-E40 PolarHBondContact NE-OE1 3.39Å; R12-E40 IonicContact NE-OE2 3.64Å; R12-E40 IonicContact NH2-OE1 3.2Å; R12-E40 IonicContact NH2-OE2 4Å; R12-E40 PolarHBondContact NH2-OE2 3.49Å; W32-E40 HydrophobicContact CD2-CG 4.47Å; W32-E40 HydrophobicContact CE3-CB 3.98Å; W32-E40 HydrophobicContact CE3-CG 3.8Å; W32-E40 HydrophobicContact CH2-CG 3.89Å; W32-E40 HydrophobicContact CZ3-CB 3.82Å; W32-E40 HydrophobicContact CZ3-CG 3.47Å; W32-E40 VanDerWaalsContact CZ3-CG 3.47Å; S38-E40 PolarHBondContact O-N 3.37Å; E40-N43 PolarHBondContact O-N 3.01Å; E40-Y44 PolarHBondContact O-N 3.01Å
41T96.7Very high96.2Very high4 Ų456.5 Ų56.53%0.02527%0.271CS..Hα-helixtrans-64.9-43.6178.1-630000111.6W32 L33 D35 S38 N43 Y44 V45 L655W32-T41 PolarHBondContact O-OG1 2.88Å; L33-T41 HydrophobicContact CD2-CG2 4.18Å; D35-T41 VanDerWaalsContact O-CB 3.23Å; D35-T41 WeakPolarHBondContact O-CB 3.02Å; D35-T41 PolarHBondContact O-OG1 3.34Å; S38-T41 PolarHBondContact O-N 3.04Å; S38-T41 WeakPolarHBondContact OG-CB 3.48Å; S38-T41 PolarHBondContact OG-N 3.17Å; S38-T41 VanDerWaalsContact OG-N 3.16Å; S38-T41 PolarHBondContact OG-OG1 3.38Å; T41-N43 PolarHBondContact O-N 3.41Å; T41-Y44 PolarHBondContact O-N 2.97Å; T41-V45 HydrophobicContact CG2-CG2 4.41Å; T41-V45 WeakPolarHBondContact O-CG2 3.32Å; T41-V45 PolarHBondContact O-N 3.12Å; T41-L655 HydrophobicContact CG2-CD1 3.9Å
42K96.2Very high96.2Very high81 Ų8154.1 Ų54.135%0.35226%0.262SS..Hα-helixtrans-60-45178-71.7171.2-179.11600112.1K37 S38 E39 V45 Q46K37-K42 WeakPolarHBondContact O-CE 3.29Å; K37-K42 PolarHBondContact O-NZ 2.75Å; S38-K42 WeakPolarHBondContact O-CG 3.5Å; S38-K42 PolarHBondContact O-N 3.2Å; S38-K42 VanDerWaalsContact O-N 3.15Å; E39-K42 PolarHBondContact O-N 2.91Å; K42-V45 PolarHBondContact O-N 3.37Å; K42-Q46 WeakPolarHBondContact O-CG 3.42Å; K42-Q46 PolarHBondContact O-N 3.34Å
43N97.7Very high96.1Very high69 Ų6955.9 Ų55.937%0.36927%0.271SS..Hα-helixtrans-63-44.7177-74-38.3000111.4E39 E40 T41 V45 Q46 E47E39-N43 WeakPolarHBondContact O-CB 3.34Å; E39-N43 VanDerWaalsContact O-CG 3.3Å; E39-N43 PolarHBondContact O-N 2.98Å; E39-N43 PolarHBondContact O-ND2 3.07Å; E40-N43 PolarHBondContact O-N 3.01Å; T41-N43 PolarHBondContact O-N 3.41Å; N43-V45 VanDerWaalsContact C-N 3.33Å; N43-V45 PolarHBondContact O-N 3.29Å; N43-Q46 WeakPolarHBondContact O-CB 3.47Å; N43-Q46 PolarHBondContact O-N 3.01Å; N43-Q46 VanDerWaalsContact O-N 3.16Å; N43-E47 WeakPolarHBondContact O-CG 3.41Å; N43-E47 PolarHBondContact O-N 2.94Å
44Y98.1Very high96.1Very high6 Ų658.8 Ų58.82%0.02429%0.291CS..Hα-helixtrans-60.4-42.1176.8-173.5-117.7000112.4P9 A11 W32 L33 E40 T41 Q46 E47 L48 A659P9-Y44 HydrophobicContact CB-CD2 4.19Å; P9-Y44 HydrophobicContact CB-CE2 3.81Å; A11-Y44 HydrophobicContact CB-CD2 4.37Å; A11-Y44 HydrophobicContact CB-CE1 4.37Å; A11-Y44 HydrophobicContact CB-CE2 3.75Å; W32-Y44 HydrophobicContact CH2-CG 4.2Å; L33-Y44 HydrophobicContact CD1-CD1 4.27Å; L33-Y44 HydrophobicContact CD1-CE1 4.08Å; L33-Y44 HydrophobicContact CD2-CD1 3.59Å; L33-Y44 HydrophobicContact CD2-CE1 4.23Å; L33-Y44 HydrophobicContact CD2-CG 4.32Å; E40-Y44 PolarHBondContact O-N 3.01Å; T41-Y44 PolarHBondContact O-N 2.97Å; Y44-Q46 VanDerWaalsContact C-N 3.35Å; Y44-Q46 PolarHBondContact O-N 2.93Å; Y44-E47 PolarHBondContact O-N 2.99Å; Y44-L48 HydrophobicContact CD1-CD1 3.83Å; Y44-L48 HydrophobicContact CD1-CG 4.32Å; Y44-L48 HydrophobicContact CE1-CD1 3.55Å; Y44-L48 HydrophobicContact CE1-CD2 4.34Å; Y44-L48 HydrophobicContact CE1-CG 4.05Å; Y44-L48 HydrophobicContact CE2-CD2 4.43Å; Y44-L48 HydrophobicContact CE2-CG 4.43Å; Y44-L48 WeakPolarHBondContact O-CG 3.38Å; Y44-L48 PolarHBondContact O-N 3.07Å; Y44-A659 HydrophobicContact CE1-CB 4.45Å; Y44-A659 WeakPolarHBondContact OH-CA 3.02Å
45V97.6Very high96.2Very high24 Ų2458.6 Ų58.615%0.14529%0.289CS..Hα-helixtrans-60.2-43174.8168.40000111.8T41 K42 N43 E47 L48 N49 L655 I679T41-V45 HydrophobicContact CG2-CG2 4.41Å; T41-V45 WeakPolarHBondContact O-CG2 3.32Å; T41-V45 PolarHBondContact O-N 3.12Å; K42-V45 PolarHBondContact O-N 3.37Å; N43-V45 VanDerWaalsContact C-N 3.33Å; N43-V45 PolarHBondContact O-N 3.29Å; V45-E47 VanDerWaalsContact C-N 3.35Å; V45-E47 PolarHBondContact O-N 3.41Å; V45-L48 PolarHBondContact O-N 2.96Å; V45-N49 WeakPolarHBondContact O-CB 3.3Å; V45-N49 PolarHBondContact O-N 3.34Å; V45-L655 HydrophobicContact CG2-CD1 4.06Å; V45-L655 HydrophobicContact CG2-CD2 3.85Å; V45-I679 HydrophobicContact CG1-CB 3.8Å; V45-I679 HydrophobicContact CG1-CD1 4.34Å; V45-I679 HydrophobicContact CG1-CG1 4.04Å; V45-I679 HydrophobicContact CG1-CG2 3.99Å; V45-I679 HydrophobicContact CG2-CG1 4.38Å
46Q97.5Very high96.3Very high123 Ų12354.6 Ų54.658%0.57527%0.268SS*.Hα-helixtrans-62.4-41.9176.7-70.5174.111.700111.9K42 N43 Y44 N49 K50K42-Q46 WeakPolarHBondContact O-CG 3.42Å; K42-Q46 PolarHBondContact O-N 3.34Å; N43-Q46 WeakPolarHBondContact O-CB 3.47Å; N43-Q46 PolarHBondContact O-N 3.01Å; N43-Q46 VanDerWaalsContact O-N 3.16Å; Y44-Q46 VanDerWaalsContact C-N 3.35Å; Y44-Q46 PolarHBondContact O-N 2.93Å; Q46-N49 PolarHBondContact O-N 3.2Å; Q46-K50 WeakPolarHBondContact O-CB 3.39Å; Q46-K50 PolarHBondContact O-N 3.15Å
47E98Very high96.7Very high98 Ų9858.6 Ų58.646%0.45828%0.282SS..Hα-helixtrans-65-43.3176.9-67.3-176132.900112.2P9 N43 Y44 V45 K50 V51P9-E47 HydrophobicContact CB-CB 3.75Å; P9-E47 HydrophobicContact CG-CB 3.65Å; N43-E47 WeakPolarHBondContact O-CG 3.41Å; N43-E47 PolarHBondContact O-N 2.94Å; Y44-E47 PolarHBondContact O-N 2.99Å; V45-E47 VanDerWaalsContact C-N 3.35Å; V45-E47 PolarHBondContact O-N 3.41Å; E47-K50 PolarHBondContact O-N 3.14Å; E47-V51 PolarHBondContact O-N 3.39Å
48L98.2Very high97Very high0 Ų059 Ų590%029%0.286CS..Hα-helixtrans-57.7-50.1174.3-72.9176.1000111.2P9 Y44 V45 K50 V51 S52 L655 V658 Y662 A677 I679P9-L48 HydrophobicContact CG-CD2 4.25Å; Y44-L48 HydrophobicContact CD1-CD1 3.83Å; Y44-L48 HydrophobicContact CD1-CG 4.32Å; Y44-L48 HydrophobicContact CE1-CD1 3.55Å; Y44-L48 HydrophobicContact CE1-CD2 4.34Å; Y44-L48 HydrophobicContact CE1-CG 4.05Å; Y44-L48 HydrophobicContact CE2-CD2 4.43Å; Y44-L48 HydrophobicContact CE2-CG 4.43Å; Y44-L48 WeakPolarHBondContact O-CG 3.38Å; Y44-L48 PolarHBondContact O-N 3.07Å; V45-L48 PolarHBondContact O-N 2.96Å; L48-K50 VanDerWaalsContact C-N 3.34Å; L48-K50 PolarHBondContact O-N 3.38Å; L48-V51 PolarHBondContact O-N 3.47Å; L48-S52 PolarHBondContact O-N 3.39Å; L48-S52 PolarHBondContact O-OG 3.23Å; L48-S52 VanDerWaalsContact O-OG 3.13Å; L48-L655 HydrophobicContact CD1-CD2 3.73Å; L48-V658 HydrophobicContact CD1-CG1 3.95Å; L48-V658 HydrophobicContact CD2-CG1 4.01Å; L48-Y662 HydrophobicContact CD2-CE2 3.58Å; L48-A677 HydrophobicContact CD1-CB 4.3Å; L48-A677 HydrophobicContact CD2-CB 4.42Å; L48-I679 HydrophobicContact CB-CD1 4.13Å; L48-I679 HydrophobicContact CD1-CD1 3.92Å
49N97.8Very high97.1Very high23 Ų2358.2 Ų58.212%0.12328%0.279CS..Hα-helixtrans-61.6-40.5179.6-86.7-19000112.1V45 Q46 V51 S52 F53 K678 I679V45-N49 WeakPolarHBondContact O-CB 3.3Å; V45-N49 PolarHBondContact O-N 3.34Å; Q46-N49 PolarHBondContact O-N 3.2Å; N49-V51 VanDerWaalsContact C-N 3.34Å; N49-V51 PolarHBondContact O-N 2.81Å; N49-S52 PolarHBondContact O-N 2.92Å; N49-F53 HydrophobicContact CB-CD2 4.05Å; N49-F53 HydrophobicContact CB-CE2 3.71Å; N49-F53 WeakPolarHBondContact O-CB 3.45Å; N49-F53 WeakPolarHBondContact O-CD2 3.46Å; N49-F53 WeakPolarHBondContact O-CG 3.39Å; N49-F53 PolarHBondContact O-N 3.01Å; N49-K678 WeakPolarHBondContact OD1-CA 3.47Å; N49-I679 PolarHBondContact ND2-O 3.14Å; N49-I679 PolarHBondContact OD1-N 3.2Å; N49-I679 PolarHBondContact OD1-O 3.14Å
50K97.4Very high97.1Very high166 Ų16657 Ų5772%0.72228%0.281SS*.Hα-helixtrans-58-45.1177.3-176.4-180178.7-178.80112.2Q46 E47 L48 S54Q46-K50 WeakPolarHBondContact O-CB 3.39Å; Q46-K50 PolarHBondContact O-N 3.15Å; E47-K50 PolarHBondContact O-N 3.14Å; L48-K50 VanDerWaalsContact C-N 3.34Å; L48-K50 PolarHBondContact O-N 3.38Å; K50-S54 VanDerWaalsContact O-CB 3.26Å; K50-S54 WeakPolarHBondContact O-CB 3.31Å; K50-S54 PolarHBondContact O-N 3.33Å; K50-S54 VanDerWaalsContact O-N 3.14Å
51V97.3Very high97.2Very high24 Ų2457 Ų5715%0.14528%0.279CS..Hα-helixtrans-66.5-46177.8176.90000110.8L6 P9 E47 L48 N49 Y55 L676L6-V51 HydrophobicContact CD2-CG1 4.19Å; P9-V51 HydrophobicContact CG-CG2 4.19Å; E47-V51 PolarHBondContact O-N 3.39Å; L48-V51 PolarHBondContact O-N 3.47Å; N49-V51 VanDerWaalsContact C-N 3.34Å; N49-V51 PolarHBondContact O-N 2.81Å; V51-Y55 WeakPolarHBondContact O-CB 3.48Å; V51-Y55 PolarHBondContact O-N 2.75Å; V51-L676 HydrophobicContact CG1-CD2 4.01Å
52S97.4Very high97.2Very high0 Ų059.2 Ų59.20%029%0.286CS..Hα-helixtrans-61.2-51.6-179.9-63.90000112.3L48 N49 S54 Y55 L56 A677L48-S52 PolarHBondContact O-N 3.39Å; L48-S52 PolarHBondContact O-OG 3.23Å; L48-S52 VanDerWaalsContact O-OG 3.13Å; N49-S52 PolarHBondContact O-N 2.92Å; S52-S54 PolarHBondContact O-N 2.85Å; S52-Y55 PolarHBondContact O-N 3.12Å; S52-L56 WeakPolarHBondContact O-CB 3.48Å; S52-L56 WeakPolarHBondContact O-CD1 3.27Å; S52-L56 WeakPolarHBondContact O-CG 3.39Å; S52-L56 PolarHBondContact O-N 3.25Å; S52-A677 VanDerWaalsContact OG-C 3.26Å; S52-A677 PolarHBondContact OG-N 2.86Å; S52-A677 PolarHBondContact OG-O 3.09Å
53F95.7Very high97.3Very high71 Ų7161.5 Ų61.531%0.31130%0.303SS..Hα-helixtrans-60.9-48.1179-67.9-46.9000111.7N49 Y55 L56 E57 K678N49-F53 HydrophobicContact CB-CD2 4.05Å; N49-F53 HydrophobicContact CB-CE2 3.71Å; N49-F53 WeakPolarHBondContact O-CB 3.45Å; N49-F53 WeakPolarHBondContact O-CD2 3.46Å; N49-F53 WeakPolarHBondContact O-CG 3.39Å; N49-F53 PolarHBondContact O-N 3.01Å; F53-Y55 PolarHBondContact O-N 3.02Å; F53-L56 PolarHBondContact O-N 3.28Å; F53-L56 VanDerWaalsContact O-N 3.17Å; F53-E57 WeakPolarHBondContact O-CB 3.4Å; F53-E57 VanDerWaalsContact O-CG 3.27Å; F53-E57 WeakPolarHBondContact O-CG 3.44Å; F53-E57 PolarHBondContact O-N 3.15Å; F53-K678 HydrophobicContact CE1-CD 3.99Å; F53-K678 HydrophobicContact CE1-CG 4.14Å; F53-K678 HydrophobicContact CZ-CG 4.3Å
54S96Very high97.3Very high62 Ų6260.8 Ų60.843%0.43430%0.303SS..Hα-helixtrans-57.9-39178.8-173.60000112.2K50 S52 Q58K50-S54 VanDerWaalsContact O-CB 3.26Å; K50-S54 WeakPolarHBondContact O-CB 3.31Å; K50-S54 PolarHBondContact O-N 3.33Å; K50-S54 VanDerWaalsContact O-N 3.14Å; S52-S54 PolarHBondContact O-N 2.85Å; S54-Q58 VanDerWaalsContact O-CG 3.25Å; S54-Q58 WeakPolarHBondContact O-CG 3.33Å; S54-Q58 PolarHBondContact O-NE2 3.05Å; S54-Q58 VanDerWaalsContact O-NE2 3.14Å
55Y97.2Very high97.3Very high30 Ų3060.5 Ų60.512%0.11830%0.302CS..Hα-helixtrans-70.1-43.2177.9-174.7-91.3000112.9L6 V51 S52 F53 P674 L676 F704 K707L6-Y55 HydrophobicContact CD1-CD2 3.86Å; L6-Y55 HydrophobicContact CD1-CE2 4.14Å; L6-Y55 HydrophobicContact CD2-CD2 4Å; L6-Y55 HydrophobicContact CG-CD2 4.3Å; V51-Y55 WeakPolarHBondContact O-CB 3.48Å; V51-Y55 PolarHBondContact O-N 2.75Å; S52-Y55 PolarHBondContact O-N 3.12Å; F53-Y55 PolarHBondContact O-N 3.02Å; Y55-P674 HydrophobicContact CE1-CB 4.26Å; Y55-P674 HydrophobicContact CE1-CG 4.1Å; Y55-P674 HydrophobicContact CE2-CB 4.06Å; Y55-P674 HydrophobicContact CE2-CG 4.35Å; Y55-P674 WeakPolarHBondContact OH-CG 3.5Å; Y55-L676 HydrophobicContact CD1-CD1 3.51Å; Y55-L676 HydrophobicContact CE1-CD1 4.26Å; Y55-L676 HydrophobicContact CG-CD1 3.92Å; Y55-F704 HydrophobicContact CD1-CD2 4.43Å; Y55-F704 HydrophobicContact CE1-CD2 4.12Å; Y55-F704 HydrophobicContact CE1-CE2 4.27Å; Y55-K707 HydrophobicContact CD1-CD 4.13Å; Y55-K707 HydrophobicContact CE1-CB 4.48Å; Y55-K707 HydrophobicContact CE1-CD 3.57Å; Y55-K707 HydrophobicContact CE1-CG 4.14Å; Y55-K707 HydrophobicContact CE2-CD 4.17Å; Y55-K707 VanDerWaalsContact CE2-CE 3.49Å; Y55-K707 VanDerWaalsContact CZ-CE 3.41Å; Y55-K707 PolarHBondContact O-NZ 3.11Å
56L96.7Very high97.3Very high1 Ų163.6 Ų63.61%0.00531%0.313CS..Hα-helixtrans-72.9-36.3-174.9-67.2168.9000112.5S52 F53 Q58 Y59 L676 D700 C703 F704S52-L56 WeakPolarHBondContact O-CB 3.48Å; S52-L56 WeakPolarHBondContact O-CD1 3.27Å; S52-L56 WeakPolarHBondContact O-CG 3.39Å; S52-L56 PolarHBondContact O-N 3.25Å; F53-L56 PolarHBondContact O-N 3.28Å; F53-L56 VanDerWaalsContact O-N 3.17Å; L56-Q58 PolarHBondContact O-N 3.15Å; L56-Y59 PolarHBondContact O-N 3.19Å; L56-L676 HydrophobicContact CG-CD1 4.48Å; L56-D700 HydrophobicContact CD1-CB 3.94Å; L56-C703 HydrophobicContact CD2-CB 4.49Å; L56-F704 HydrophobicContact CD2-CB 3.73Å; L56-F704 HydrophobicContact CD2-CD2 4.09Å; L56-F704 HydrophobicContact CD2-CG 4.41Å
57E96.1Very high97.2Very high122 Ų12263.2 Ų63.257%0.5731%0.311SS*.Hα-helixtrans-65.6-24.8179.1-74.6174.8170.500113.4F53 Y59F53-E57 WeakPolarHBondContact O-CB 3.4Å; F53-E57 VanDerWaalsContact O-CG 3.27Å; F53-E57 WeakPolarHBondContact O-CG 3.44Å; F53-E57 PolarHBondContact O-N 3.15Å; E57-Y59 PolarHBondContact O-N 2.74Å
58Q95.8Very high97.1Very high116 Ų11660.6 Ų60.654%0.54230%0.297SS..THydrogen-bonded Turntrans-74.1-8.5179.7-72.6168.919.200114.2S54 L56 P60 K707S54-Q58 VanDerWaalsContact O-CG 3.25Å; S54-Q58 WeakPolarHBondContact O-CG 3.33Å; S54-Q58 PolarHBondContact O-NE2 3.05Å; S54-Q58 VanDerWaalsContact O-NE2 3.14Å; L56-Q58 PolarHBondContact O-N 3.15Å; Q58-P60 WeakPolarHBondContact O-CD 3.34Å; Q58-K707 VanDerWaalsContact CB-NZ 3.3Å
59Y97.4Very high97.1Very high10 Ų1060.7 Ų60.74%0.03930%0.298CS..  trans-73.7119.8179-173-118.5000110.1L56 E57 Y61 R62 I65 F501 C703 G706 K707 L711L56-Y59 PolarHBondContact O-N 3.19Å; E57-Y59 PolarHBondContact O-N 2.74Å; Y59-Y61 HydrophobicContact CE1-CD2 4.02Å; Y59-Y61 HydrophobicContact CE1-CG 4.39Å; Y59-Y61 HydrophobicContact CE2-CD2 4.27Å; Y59-Y61 AromaticContact CZ-CD2 3.71Å; Y59-Y61 PolarHBondContact O-N 3.41Å; Y59-R62 WeakPolarHBondContact O-CB 3.21Å; Y59-R62 PolarHBondContact O-N 3.14Å; Y59-I65 HydrophobicContact CD1-CD1 4.08Å; Y59-I65 HydrophobicContact CE1-CD1 3.71Å; Y59-F501 HydrophobicContact CE1-CZ 4.33Å; Y59-F501 WeakPolarHBondContact OH-CE1 3.28Å; Y59-C703 HydrophobicContact CD1-CB 4.11Å; Y59-C703 HydrophobicContact CG-CB 4.4Å; Y59-G706 WeakPolarHBondContact CE2-O 3.39Å; Y59-K707 HydrophobicContact CD2-CB 3.66Å; Y59-K707 HydrophobicContact CD2-CG 4.34Å; Y59-K707 HydrophobicContact CE2-CB 4.33Å; Y59-K707 HydrophobicContact CG-CB 4.26Å; Y59-L711 PolarHBondContact OH-O 3.03Å
60P97.6Very high97Very high92 Ų9262.1 Ų62.160%0.59731%0.305SS*.THydrogen-bonded Turntrans-65.4-17.3-166.123.9-35.5000114.7Q58Q58-P60 WeakPolarHBondContact O-CD 3.34Å
61Y98Very high96.9Very high76 Ų7657 Ų5730%0.29828%0.284SS..THydrogen-bonded Turntrans-98.37.8-180-59.7-76000113.8Y59 D63 S64 I65 K712 W713Y59-Y61 HydrophobicContact CE1-CD2 4.02Å; Y59-Y61 HydrophobicContact CE1-CG 4.39Å; Y59-Y61 HydrophobicContact CE2-CD2 4.27Å; Y59-Y61 AromaticContact CZ-CD2 3.71Å; Y59-Y61 PolarHBondContact O-N 3.41Å; Y61-D63 PolarHBondContact O-N 2.92Å; Y61-S64 PolarHBondContact O-N 2.93Å; Y61-I65 WeakPolarHBondContact O-CG1 3.3Å; Y61-I65 PolarHBondContact O-N 2.73Å; Y61-K712 HydrophobicContact CE2-CB 4.18Å; Y61-K712 HydrophobicContact CE2-CG 4.32Å; Y61-W713 HydrophobicContact CD1-CB 3.78Å; Y61-W713 HydrophobicContact CD2-CB 4.04Å; Y61-W713 HydrophobicContact CE1-CB 4.48Å; Y61-W713 HydrophobicContact CG-CB 3.51Å
62R98.1Very high96.7Very high50 Ų5055.9 Ų55.919%0.18928%0.277CS..Hα-helixtrans-52.2-49.3-176.2179.1174-174.280.9-0.9113.3Y59 S64 I65 K66 V699 D700Y59-R62 WeakPolarHBondContact O-CB 3.21Å; Y59-R62 PolarHBondContact O-N 3.14Å; R62-S64 PolarHBondContact O-N 3.01Å; R62-I65 PolarHBondContact O-N 3.37Å; R62-K66 WeakPolarHBondContact O-CB 3.33Å; R62-K66 PolarHBondContact O-N 2.81Å; R62-V699 HydrophobicContact CG-CG1 4Å; R62-D700 IonicContact CZ-OD1 3.67Å; R62-D700 VanDerWaalsContact CZ-OD1 3.24Å; R62-D700 IonicContact NH1-OD1 3.46Å; R62-D700 PolarHBondContact NH1-OD1 2.77Å; R62-D700 IonicContact NH2-OD1 3.17Å; R62-D700 PolarHBondContact NH2-OD1 3.14Å
63D97.6Very high96.6Very high129 Ų12957.1 Ų57.169%0.6928%0.283SS*.Hα-helixtrans-66.7-39.6-177.7-67.6-26000112.1Y61 K66 Q67Y61-D63 PolarHBondContact O-N 2.92Å; D63-K66 PolarHBondContact O-N 2.9Å; D63-Q67 WeakPolarHBondContact O-CB 3.48Å; D63-Q67 PolarHBondContact O-N 3.49Å
64S97.6Very high96.6Very high53 Ų5358.2 Ų58.237%0.37129%0.292SS..Hα-helixtrans-65.3-40.7175.7-178.10000111.8Y61 R62 R68 W713Y61-S64 PolarHBondContact O-N 2.93Å; R62-S64 PolarHBondContact O-N 3.01Å; S64-R68 WeakPolarHBondContact O-CB 3.39Å; S64-R68 PolarHBondContact O-N 3.43Å; S64-W713 VanDerWaalsContact OG-CD1 3.32Å; S64-W713 PolarHBondContact OG-NE1 3.3Å
65I98.1Very high96.5Very high0 Ų056.6 Ų56.60%028%0.277CS..Hα-helixtrans-61.4-47.1173.3-72.7167.3000110.4Y59 Y61 R62 R68 L69 F501 V699 L702 W713Y59-I65 HydrophobicContact CD1-CD1 4.08Å; Y59-I65 HydrophobicContact CE1-CD1 3.71Å; Y61-I65 WeakPolarHBondContact O-CG1 3.3Å; Y61-I65 PolarHBondContact O-N 2.73Å; R62-I65 PolarHBondContact O-N 3.37Å; I65-R68 PolarHBondContact O-N 3.49Å; I65-L69 HydrophobicContact CG2-CD1 3.93Å; I65-L69 HydrophobicContact CG2-CG 4.42Å; I65-L69 WeakPolarHBondContact O-CB 3.4Å; I65-L69 PolarHBondContact O-N 2.81Å; I65-F501 HydrophobicContact CD1-CZ 4.25Å; I65-V699 HydrophobicContact CG2-CB 4.46Å; I65-V699 HydrophobicContact CG2-CG1 4.37Å; I65-V699 HydrophobicContact CG2-CG2 4.25Å; I65-L702 HydrophobicContact CD1-CB 4.16Å; I65-L702 HydrophobicContact CG2-CB 3.97Å; I65-L702 HydrophobicContact CG2-CD1 3.72Å; I65-L702 HydrophobicContact CG2-CG 4.49Å; I65-W713 HydrophobicContact CD1-CD2 4.19Å; I65-W713 HydrophobicContact CD1-CE3 4.09Å; I65-W713 HydrophobicContact CD1-CG 4.45Å; I65-W713 HydrophobicContact CG1-CB 4.49Å; I65-W713 HydrophobicContact CG1-CD2 3.47Å; I65-W713 VanDerWaalsContact CG1-CD2 3.47Å; I65-W713 HydrophobicContact CG1-CE3 3.71Å; I65-W713 HydrophobicContact CG1-CG 3.84Å; I65-W713 HydrophobicContact CG1-CH2 4.28Å; I65-W713 HydrophobicContact CG1-CZ2 4.08Å; I65-W713 HydrophobicContact CG1-CZ3 4.1Å
66K97.4Very high96.4Very high90 Ų9059 Ų5939%0.39129%0.289SS..Hα-helixtrans-61.3-47.5179.5-177.1173.8-177.6173.40111.8R62 D63 R68 N70 V699R62-K66 WeakPolarHBondContact O-CB 3.33Å; R62-K66 PolarHBondContact O-N 2.81Å; D63-K66 PolarHBondContact O-N 2.9Å; K66-R68 VanDerWaalsContact C-N 3.29Å; K66-R68 PolarHBondContact O-N 3.07Å; K66-N70 PolarHBondContact O-N 3.05Å; K66-N70 VanDerWaalsContact O-N 3.08Å; K66-N70 PolarHBondContact O-ND2 3.26Å; K66-N70 VanDerWaalsContact O-ND2 3.13Å; K66-V699 HydrophobicContact CB-CG1 4.38Å; K66-V699 HydrophobicContact CB-CG2 3.78Å; K66-V699 HydrophobicContact CG-CG2 4.09Å
67Q96.6Very high96.4Very high115 Ų11560.6 Ų60.654%0.53730%0.296SS..Hα-helixtrans-55.2-49.7174.8179.5-176.9-10.800110.1D63 N70 E71D63-Q67 WeakPolarHBondContact O-CB 3.48Å; D63-Q67 PolarHBondContact O-N 3.49Å; Q67-N70 WeakPolarHBondContact O-CB 3.46Å; Q67-N70 PolarHBondContact O-N 3.2Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.39Å; Q67-E71 PolarHBondContact NE2-OE1 3.47Å; Q67-E71 WeakPolarHBondContact O-CG 3.18Å; Q67-E71 PolarHBondContact O-N 3Å
68R96.2Very high96.4Very high43 Ų4355 Ų5516%0.16227%0.27CS..Hα-helixtrans-71.7-36.5-173.1-162.852.7175.7-177.34113.5S64 I65 K66 N70 E71 I72 W713 F715S64-R68 WeakPolarHBondContact O-CB 3.39Å; S64-R68 PolarHBondContact O-N 3.43Å; I65-R68 PolarHBondContact O-N 3.49Å; K66-R68 VanDerWaalsContact C-N 3.29Å; K66-R68 PolarHBondContact O-N 3.07Å; R68-N70 VanDerWaalsContact C-N 3.32Å; R68-N70 PolarHBondContact O-N 3.07Å; R68-E71 WeakPolarHBondContact CD-OE2 3.34Å; R68-E71 IonicContact CZ-OE2 3.79Å; R68-E71 IonicContact NE-OE2 3.03Å; R68-E71 IonicContact NH1-OE2 3.91Å; R68-E71 PolarHBondContact NH1-OE2 3.11Å; R68-E71 PolarHBondContact O-N 2.99Å; R68-I72 HydrophobicContact CG-CD1 4.04Å; R68-I72 HydrophobicContact CG-CG1 4.48Å; R68-I72 WeakPolarHBondContact O-CB 3.23Å; R68-I72 VanDerWaalsContact O-CD1 3.31Å; R68-I72 WeakPolarHBondContact O-CD1 3.42Å; R68-I72 WeakPolarHBondContact O-CG1 3.37Å; R68-I72 PolarHBondContact O-N 3.45Å; R68-W713 HydrophobicContact CB-CZ2 4.18Å; R68-W713 HydrophobicContact CG-CZ2 4.36Å; R68-F715 HydrophobicContact CG-CB 4.01Å; R68-F715 HydrophobicContact CG-CD1 3.77Å; R68-F715 HydrophobicContact CG-CD2 3.46Å; R68-F715 VanDerWaalsContact CG-CD2 3.46Å; R68-F715 HydrophobicContact CG-CE1 4.09Å; R68-F715 HydrophobicContact CG-CE2 3.74Å; R68-F715 HydrophobicContact CG-CG 3.43Å; R68-F715 VanDerWaalsContact CG-CG 3.43Å; R68-F715 HydrophobicContact CG-CZ 4.01Å; R68-F715 VanDerWaalsContact CZ-CD1 3.44Å
69L96.5Very high96.5Very high2 Ų250.2 Ų50.21%0.0125%0.252CS..Hα-helixtrans-61.9-40.1171.9-78.8174.3000111.7I65 I72 E73 A496 V695 N698 V699 L702I65-L69 HydrophobicContact CG2-CD1 3.93Å; I65-L69 HydrophobicContact CG2-CG 4.42Å; I65-L69 WeakPolarHBondContact O-CB 3.4Å; I65-L69 PolarHBondContact O-N 2.81Å; L69-I72 PolarHBondContact O-N 3.48Å; L69-E73 VanDerWaalsContact O-CB 3.23Å; L69-E73 WeakPolarHBondContact O-CB 3.06Å; L69-E73 PolarHBondContact O-N 3.13Å; L69-A496 HydrophobicContact CD2-CB 3.55Å; L69-A496 HydrophobicContact CG-CB 4.49Å; L69-V695 HydrophobicContact CB-CG1 3.97Å; L69-N698 HydrophobicContact CD1-CB 3.72Å; L69-V699 HydrophobicContact CD1-CB 4.4Å; L69-V699 HydrophobicContact CD1-CG2 3.64Å; L69-L702 HydrophobicContact CD1-CD1 3.94Å; L69-L702 HydrophobicContact CD2-CD1 4.35Å; L69-L702 HydrophobicContact CG-CD1 4.31Å
70N95.7Very high96.5Very high52 Ų5251.3 Ų51.328%0.27826%0.26SS..Hα-helixtrans-60.7-46.9173-76-42.9000111.5K66 Q67 R68 I72 E73 D74K66-N70 PolarHBondContact O-N 3.05Å; K66-N70 VanDerWaalsContact O-N 3.08Å; K66-N70 PolarHBondContact O-ND2 3.26Å; K66-N70 VanDerWaalsContact O-ND2 3.13Å; Q67-N70 WeakPolarHBondContact O-CB 3.46Å; Q67-N70 PolarHBondContact O-N 3.2Å; R68-N70 VanDerWaalsContact C-N 3.32Å; R68-N70 PolarHBondContact O-N 3.07Å; N70-I72 VanDerWaalsContact C-N 3.31Å; N70-I72 PolarHBondContact O-N 3.24Å; N70-E73 PolarHBondContact O-N 3.19Å; N70-D74 VanDerWaalsContact O-CB 3.28Å; N70-D74 WeakPolarHBondContact O-CB 3.5Å; N70-D74 PolarHBondContact O-N 2.81Å
71E95.3Very high96.5Very high59 Ų5947.8 Ų47.828%0.27623%0.234SC..Hα-helixtrans-63.7-35.7179-66.3168.1177.800112.5Q67 R68 Q432Q67-E71 WeakPolarHBondContact CG-OE1 3.39Å; Q67-E71 PolarHBondContact NE2-OE1 3.47Å; Q67-E71 WeakPolarHBondContact O-CG 3.18Å; Q67-E71 PolarHBondContact O-N 3Å; R68-E71 WeakPolarHBondContact CD-OE2 3.34Å; R68-E71 IonicContact CZ-OE2 3.79Å; R68-E71 IonicContact NE-OE2 3.03Å; R68-E71 IonicContact NH1-OE2 3.91Å; R68-E71 PolarHBondContact NH1-OE2 3.11Å; R68-E71 PolarHBondContact O-N 2.99Å; E71-Q432 HydrophobicContact CB-CG 3.96Å; E71-Q432 VanDerWaalsContact O-CG 3.27Å; E71-Q432 WeakPolarHBondContact O-CG 3.48Å
72I94.5Very high96.4Very high0 Ų045.6 Ų45.60%023%0.23CC..Hα-helixtrans-68.8-42175.7-69.7160.6000111R68 L69 N70 D74 Y75 S430 Q432 I433 T492 A496 F715R68-I72 HydrophobicContact CG-CD1 4.04Å; R68-I72 HydrophobicContact CG-CG1 4.48Å; R68-I72 WeakPolarHBondContact O-CB 3.23Å; R68-I72 VanDerWaalsContact O-CD1 3.31Å; R68-I72 WeakPolarHBondContact O-CD1 3.42Å; R68-I72 WeakPolarHBondContact O-CG1 3.37Å; R68-I72 PolarHBondContact O-N 3.45Å; L69-I72 PolarHBondContact O-N 3.48Å; N70-I72 VanDerWaalsContact C-N 3.31Å; N70-I72 PolarHBondContact O-N 3.24Å; I72-D74 VanDerWaalsContact C-N 3.31Å; I72-Y75 WeakPolarHBondContact O-CD1 3.33Å; I72-Y75 WeakPolarHBondContact O-CE1 3.33Å; I72-S430 WeakPolarHBondContact CA-OG 3.48Å; I72-S430 WeakPolarHBondContact O-CB 3.45Å; I72-S430 PolarHBondContact O-OG 2.89Å; I72-Q432 HydrophobicContact CG1-CB 3.96Å; I72-I433 HydrophobicContact CB-CD1 4.16Å; I72-I433 HydrophobicContact CB-CG1 4.49Å; I72-I433 HydrophobicContact CD1-CD1 3.89Å; I72-I433 HydrophobicContact CD1-CG1 4.42Å; I72-I433 HydrophobicContact CG1-CD1 3.76Å; I72-I433 HydrophobicContact CG1-CG1 3.89Å; I72-I433 HydrophobicContact CG2-CD1 3.32Å; I72-I433 HydrophobicContact CG2-CG1 3.96Å; I72-T492 HydrophobicContact CG2-CG2 3.56Å; I72-A496 HydrophobicContact CD1-CB 3.81Å; I72-F715 HydrophobicContact CD1-CE2 3.56Å; I72-F715 HydrophobicContact CD1-CZ 3.75Å; I72-F715 HydrophobicContact CG1-CE2 4.4Å; I72-F715 HydrophobicContact CG1-CZ 4.1Å
73E94.8Very high96.4Very high26 Ų2645.7 Ų45.712%0.12123%0.232CC..Hα-helixtrans-75.9-20.6-178.2-162.665.8-135.100111.8L69 N70 Y75 K77 L96 T492 V691 V695L69-E73 VanDerWaalsContact O-CB 3.23Å; L69-E73 WeakPolarHBondContact O-CB 3.06Å; L69-E73 PolarHBondContact O-N 3.13Å; N70-E73 PolarHBondContact O-N 3.19Å; E73-Y75 VanDerWaalsContact C-N 3.29Å; E73-Y75 WeakPolarHBondContact O-CD1 3.47Å; E73-Y75 PolarHBondContact O-N 2.96Å; E73-K77 PolarHBondContact O-NZ 3.01Å; E73-K77 WeakPolarHBondContact OE1-CE 3.48Å; E73-K77 IonicContact OE1-NZ 2.8Å; E73-L96 HydrophobicContact CB-CD2 3.93Å; E73-L96 HydrophobicContact CG-CD2 4.12Å; E73-T492 WeakPolarHBondContact OE2-CB 3.46Å; E73-T492 WeakPolarHBondContact OE2-CG2 3.47Å; E73-T492 PolarHBondContact OE2-OG1 3.36Å; E73-V691 HydrophobicContact CG-CG1 3.78Å; E73-V695 HydrophobicContact CB-CG2 4.23Å; E73-V695 HydrophobicContact CG-CG2 4.07Å
74D95.5Very high96.3Very high94 Ų9440.8 Ų40.850%0.50321%0.205SC..  trans-78.772.7-179.2-165.426.3000112.8N70 I72 G95 L96N70-D74 VanDerWaalsContact O-CB 3.28Å; N70-D74 WeakPolarHBondContact O-CB 3.5Å; N70-D74 PolarHBondContact O-N 2.81Å; I72-D74 VanDerWaalsContact C-N 3.31Å; D74-G95 WeakPolarHBondContact OD1-CA 3.42Å; D74-L96 HydrophobicContact CB-CD1 4.14Å; D74-L96 HydrophobicContact CB-CD2 4.2Å; D74-L96 HydrophobicContact CB-CG 3.96Å
75Y94.8Very high96.1Very high28 Ų2839.6 Ų39.611%0.1120%0.201CC..SBendtrans-141.3152.6169.766.2-81000110.7I72 E73 K77 G95 A405 E429 F490 T492I72-Y75 WeakPolarHBondContact O-CD1 3.33Å; I72-Y75 WeakPolarHBondContact O-CE1 3.33Å; E73-Y75 VanDerWaalsContact C-N 3.29Å; E73-Y75 WeakPolarHBondContact O-CD1 3.47Å; E73-Y75 PolarHBondContact O-N 2.96Å; Y75-K77 HydrophobicContact CD2-CG 4Å; Y75-K77 HydrophobicContact CE2-CD 4.38Å; Y75-K77 HydrophobicContact CE2-CG 3.51Å; Y75-K77 PolarHBondContact O-N 3.39Å; Y75-K77 PolarHBondContact O-NZ 3.16Å; Y75-G95 WeakPolarHBondContact O-CA 3.36Å; Y75-A405 HydrophobicContact CD2-CB 4.33Å; Y75-A405 HydrophobicContact CE2-CB 3.42Å; Y75-A405 VanDerWaalsContact CE2-CB 3.42Å; Y75-E429 VanDerWaalsContact CB-O 3.24Å; Y75-E429 WeakPolarHBondContact CB-O 3.46Å; Y75-F490 HydrophobicContact CE1-CE1 4.05Å; Y75-F490 AromaticContact CZ-CE1 3.89Å; Y75-F490 WeakPolarHBondContact OH-CD1 3.37Å; Y75-F490 WeakPolarHBondContact OH-CE1 3.44Å; Y75-T492 HydrophobicContact CE1-CG2 4.49Å
76E95.4Very high95.9Very high80 Ų8048.7 Ų48.737%0.37424%0.241SC..  trans-66.4126.3178.4-168.4176.381.100110.8V78 M92 N93 H426 S428E76-V78 HydrophobicContact CG-CG2 3.97Å; E76-M92 HydrophobicContact CG-CG 4.06Å; E76-M92 HydrophobicContact CG-SD 4.06Å; E76-N93 CarbonylContact C-O 3.58Å; E76-N93 WeakPolarHBondContact CA-O 3.36Å; E76-H426 IonicContact OE1-CE1 3.13Å; E76-H426 PolarHBondContact OE1-CE1 3.06Å; E76-H426 IonicContact OE1-ND1 3.57Å; E76-H426 IonicContact OE1-NE2 2.79Å; E76-S428 WeakPolarHBondContact O-CB 3.42Å; E76-S428 PolarHBondContact O-OG 2.88Å; E76-S428 VanDerWaalsContact O-OG 3.05Å
77K95.9Very high95.9Very high36 Ų3646.2 Ų46.216%0.15723%0.229CC..EExtended strand (participates in β ladder)trans-112.8108.9178.9-59.3161.7-167.270.90107.8E73 Y75 M92 N93 G95E73-K77 PolarHBondContact O-NZ 3.01Å; E73-K77 WeakPolarHBondContact OE1-CE 3.48Å; E73-K77 IonicContact OE1-NZ 2.8Å; Y75-K77 HydrophobicContact CD2-CG 4Å; Y75-K77 HydrophobicContact CE2-CD 4.38Å; Y75-K77 HydrophobicContact CE2-CG 3.51Å; Y75-K77 PolarHBondContact O-N 3.39Å; Y75-K77 PolarHBondContact O-NZ 3.16Å; K77-M92 CarbonylContact O-C 3.59Å; K77-M92 VanDerWaalsContact O-CA 3.29Å; K77-M92 WeakPolarHBondContact O-CA 3.44Å; K77-N93 HydrophobicContact CB-CB 4.24Å; K77-N93 HydrophobicContact CD-CB 4.41Å; K77-N93 PolarHBondContact N-O 3.29Å; K77-N93 PolarHBondContact O-N 3.24Å; K77-G95 PolarHBondContact NZ-O 2.96Å
78V96.8Very high96Very high3 Ų341.9 Ų41.92%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-105.7129.7178.8-173.90000109.9E76 Y81 Y90 M92 K398 I408 H426 S428E76-V78 HydrophobicContact CG-CG2 3.97Å; V78-Y81 HydrophobicContact CG1-CE2 3.98Å; V78-Y90 HydrophobicContact CG1-CD2 3.77Å; V78-Y90 HydrophobicContact CG1-CE2 4.22Å; V78-M92 HydrophobicContact CG2-CG 4.08Å; V78-M92 HydrophobicContact CG2-SD 4.16Å; V78-K398 WeakPolarHBondContact O-CE 3.38Å; V78-K398 PolarHBondContact O-NZ 3.3Å; V78-I408 HydrophobicContact CB-CD1 4Å; V78-I408 HydrophobicContact CG1-CD1 3.66Å; V78-H426 VanDerWaalsContact CG2-CD2 3.48Å; V78-H426 WeakPolarHBondContact CG2-CD2 3.33Å; V78-H426 VanDerWaalsContact CG2-NE2 3.33Å; V78-H426 WeakPolarHBondContact CG2-NE2 3.48Å; V78-S428 PolarHBondContact N-OG 3.38Å
79G96.6Very high96.1Very high16 Ų1640 Ų4017%0.16520%0.201CC..PPolyproline II helixtrans-78.5163.217400000111.8Y81 K91 I408G79-Y81 PolarHBondContact O-N 3.45Å; G79-K91 PolarHBondContact N-O 3.48Å; G79-I408 WeakPolarHBondContact O-CD1 3.48Å
80V97Very high96.1Very high34 Ų3440.4 Ų40.421%0.20620%0.202CC..PPolyproline II helixtrans-60140.6174.368.70000109.8T387 F396 K398V80-T387 HydrophobicContact CG1-CG2 3.81Å; V80-T387 HydrophobicContact CG2-CG2 4.12Å; V80-F396 HydrophobicContact CG2-CB 3.67Å; V80-K398 HydrophobicContact CB-CB 3.93Å; V80-K398 HydrophobicContact CG2-CB 4.32Å
81Y97.7Very high96.2Very high17 Ų1741.2 Ų41.27%0.06720%0.204CC..PPolyproline II helixtrans-74.7139.3175.9-73.4-113.8000109.2V78 G79 F89 Y90 T105 W108 T387 F396 I408 V425V78-Y81 HydrophobicContact CG1-CE2 3.98Å; G79-Y81 PolarHBondContact O-N 3.45Å; Y81-F89 CarbonylContact C-O 3.6Å; Y81-F89 WeakPolarHBondContact CA-O 3.41Å; Y81-Y90 AromaticContact CD1-CD1 3.62Å; Y81-Y90 HydrophobicContact CD1-CD1 3.62Å; Y81-Y90 HydrophobicContact CD1-CE1 4.27Å; Y81-Y90 HydrophobicContact CD1-CG 4.14Å; Y81-Y90 HydrophobicContact CD2-CG 4.47Å; Y81-Y90 AromaticContact CE1-CD1 3.26Å; Y81-Y90 HydrophobicContact CE1-CD1 3.26Å; Y81-Y90 AromaticContact CE1-CE1 3.5Å; Y81-Y90 HydrophobicContact CE1-CE1 3.5Å; Y81-Y90 VanDerWaalsContact CE1-CE1 3.5Å; Y81-Y90 AromaticContact CE1-CG 3.87Å; Y81-Y90 HydrophobicContact CE1-CG 3.87Å; Y81-Y90 HydrophobicContact CE2-CD1 4.42Å; Y81-Y90 HydrophobicContact CE2-CG 4.2Å; Y81-Y90 HydrophobicContact CG-CD1 4.34Å; Y81-Y90 HydrophobicContact CG-CG 4.44Å; Y81-Y90 AromaticContact CZ-CD1 3.72Å; Y81-Y90 AromaticContact CZ-CE1 3.88Å; Y81-Y90 AromaticContact CZ-CG 3.89Å; Y81-T105 HydrophobicContact CE1-CG2 4.48Å; Y81-W108 HydrophobicContact CD1-CB 3.82Å; Y81-W108 HydrophobicContact CE1-CB 3.96Å; Y81-T387 WeakPolarHBondContact O-CB 3.37Å; Y81-T387 WeakPolarHBondContact O-CG2 3.39Å; Y81-T387 PolarHBondContact O-OG1 3.38Å; Y81-F396 HydrophobicContact CD2-CD1 4.44Å; Y81-F396 HydrophobicContact CG-CD1 4.27Å; Y81-F396 HydrophobicContact CG-CE1 4.23Å; Y81-I408 HydrophobicContact CD2-CD1 4.28Å; Y81-I408 HydrophobicContact CD2-CG2 4.35Å; Y81-I408 HydrophobicContact CE2-CD1 4.21Å; Y81-V425 HydrophobicContact CD2-CG1 4.34Å; Y81-V425 HydrophobicContact CE2-CG1 3.84Å
82S96.5Very high96.3Very high30 Ų3039.2 Ų39.221%0.2119%0.194CC..EExtended strand (participates in β ladder)trans-119.3137.6167.8-164.60000109.3E84 Y88 F89S82-E84 WeakPolarHBondContact CB-OE1 3.45Å; S82-E84 PolarHBondContact OG-OE1 3.35Å; S82-Y88 CarbonylContact O-C 3.5Å; S82-Y88 VanDerWaalsContact O-CA 3.29Å; S82-Y88 WeakPolarHBondContact O-CA 3.39Å; S82-F89 PolarHBondContact N-O 3.45Å; S82-F89 PolarHBondContact O-N 3.27Å
83K97.3Very high96.4Very high53 Ų5339.4 Ų39.423%0.2320%0.195CC..EExtended strand (participates in β ladder)trans-92.8120174.7-175.5171.9-178179.50110.2R87 Y88 K389 E394K83-R87 WeakPolarHBondContact CA-O 3.41Å; K83-Y88 HydrophobicContact CB-CD1 3.99Å; K83-Y88 HydrophobicContact CB-CE1 3.92Å; K83-Y88 HydrophobicContact CD-CE1 3.88Å; K83-Y88 HydrophobicContact CG-CD1 4.32Å; K83-Y88 HydrophobicContact CG-CE1 4.02Å; K83-K389 WeakPolarHBondContact O-CE 3.33Å; K83-K389 PolarHBondContact O-NZ 3.12Å; K83-E394 WeakPolarHBondContact CD-OE1 3.45Å; K83-E394 WeakPolarHBondContact CE-OE1 3.47Å; K83-E394 IonicContact NZ-OE1 2.72Å; K83-E394 PolarHBondContact NZ-OE1 2.95Å
84E96.6Very high96.4Very high25 Ų2544.3 Ų44.312%0.11722%0.216CC..EExtended strand (participates in β ladder)trans-126.6107.6-178-49.1-62.9171.200109S82 K86 R87 F89 F134 K389S82-E84 WeakPolarHBondContact CB-OE1 3.45Å; S82-E84 PolarHBondContact OG-OE1 3.35Å; E84-K86 PolarHBondContact O-N 3.34Å; E84-K86 VanDerWaalsContact O-N 3.14Å; E84-R87 PolarHBondContact N-O 2.92Å; E84-R87 PolarHBondContact O-N 3.39Å; E84-R87 VanDerWaalsContact O-N 3.14Å; E84-F89 HydrophobicContact CB-CD2 3.75Å; E84-F89 HydrophobicContact CB-CE2 3.77Å; E84-F89 HydrophobicContact CG-CD2 3.71Å; E84-F89 HydrophobicContact CG-CE2 4.23Å; E84-F134 HydrophobicContact CB-CB 4.16Å; E84-F134 HydrophobicContact CB-CD1 3.96Å; E84-F134 HydrophobicContact CB-CD2 4.28Å; E84-F134 HydrophobicContact CB-CE1 4.39Å; E84-F134 HydrophobicContact CB-CG 3.88Å; E84-F134 HydrophobicContact CG-CB 4.1Å; E84-F134 HydrophobicContact CG-CD1 4.1Å; E84-F134 HydrophobicContact CG-CD2 3.52Å; E84-F134 HydrophobicContact CG-CE1 4.39Å; E84-F134 HydrophobicContact CG-CE2 3.85Å; E84-F134 HydrophobicContact CG-CG 3.64Å; E84-F134 HydrophobicContact CG-CZ 4.27Å; E84-K389 IonicContact OE2-NZ 3.67Å; E84-K389 PolarHBondContact OE2-NZ 3.04Å
85G93.8Very high96.4Very high29 Ų2939.8 Ų39.830%0.29919%0.192SC..THydrogen-bonded Turntrans61.1-114.6-170.500000111.7D137G85-D137 VanDerWaalsContact CA-O 3.22Å; G85-D137 WeakPolarHBondContact CA-O 3.23Å
86K93.8Very high96.4Very high190 Ų19041.9 Ų41.983%0.82621%0.205SC*.THydrogen-bonded Turntrans-98.2-2.5-178.9-61.1179.2-176173.70113.7E84E84-K86 PolarHBondContact O-N 3.34Å; E84-K86 VanDerWaalsContact O-N 3.14Å
87R96.9Very high96.4Very high39 Ų3940.3 Ų40.315%0.14720%0.198CC..EExtended strand (participates in β ladder)trans-122.4161.2-169.6-60.7-177.6175.8119.9-1.9110.7K83 E84 F89 M104 T105 E106 E161K83-R87 WeakPolarHBondContact CA-O 3.41Å; E84-R87 PolarHBondContact N-O 2.92Å; E84-R87 PolarHBondContact O-N 3.39Å; E84-R87 VanDerWaalsContact O-N 3.14Å; R87-F89 HydrophobicContact CB-CE2 3.88Å; R87-F89 HydrophobicContact CB-CZ 4.32Å; R87-M104 HydrophobicContact CB-CG 4.27Å; R87-M104 WeakPolarHBondContact CD-SD 3.47Å; R87-T105 CarbonylContact C-O 3.58Å; R87-T105 WeakPolarHBondContact CA-O 3.42Å; R87-E106 HydrophobicContact CG-CG 4.45Å; R87-E161 IonicContact CZ-OE2 2.91Å; R87-E161 VanDerWaalsContact CZ-OE2 3.29Å; R87-E161 IonicContact NH1-OE2 2.58Å; R87-E161 PolarHBondContact NH1-OE2 3.04Å; R87-E161 IonicContact NH2-OE1 2.68Å; R87-E161 IonicContact NH2-OE2 3.69Å; R87-E161 PolarHBondContact NH2-OE2 2.84Å
88Y98.1Very high96.4Very high23 Ų2340 Ų409%0.0920%0.197CC..EExtended strand (participates in β ladder)trans-110.4142.2172.9-56.2-94.1000110.2S82 K83 M104 T105 W108 E394 F396S82-Y88 CarbonylContact O-C 3.5Å; S82-Y88 VanDerWaalsContact O-CA 3.29Å; S82-Y88 WeakPolarHBondContact O-CA 3.39Å; K83-Y88 HydrophobicContact CB-CD1 3.99Å; K83-Y88 HydrophobicContact CB-CE1 3.92Å; K83-Y88 HydrophobicContact CD-CE1 3.88Å; K83-Y88 HydrophobicContact CG-CD1 4.32Å; K83-Y88 HydrophobicContact CG-CE1 4.02Å; Y88-M104 CarbonylContact O-C 3.59Å; Y88-M104 WeakPolarHBondContact O-CA 3.2Å; Y88-T105 HydrophobicContact CD2-CG2 4.42Å; Y88-T105 PolarHBondContact N-O 3.16Å; Y88-T105 PolarHBondContact O-N 3.27Å; Y88-W108 HydrophobicContact CD1-CB 4.18Å; Y88-W108 HydrophobicContact CD2-CB 4.26Å; Y88-W108 HydrophobicContact CE1-CB 4.44Å; Y88-W108 AromaticContact CE1-CD1 3.85Å; Y88-W108 HydrophobicContact CG-CB 4.09Å; Y88-W108 AromaticContact CZ-CD1 3.71Å; Y88-E394 WeakPolarHBondContact CE1-OE2 3.39Å; Y88-E394 PolarHBondContact OH-OE1 3.36Å; Y88-E394 PolarHBondContact OH-OE2 3.12Å; Y88-F396 HydrophobicContact CD1-CE2 4.11Å; Y88-F396 HydrophobicContact CD1-CZ 4.17Å; Y88-F396 AromaticContact CE1-CE2 3.92Å; Y88-F396 HydrophobicContact CE1-CE2 3.92Å; Y88-F396 HydrophobicContact CE1-CZ 4.01Å
89F98.2Very high96.3Very high5 Ų540.8 Ų40.82%0.02220%0.201CC..EExtended strand (participates in β ladder)trans-125.1140.6178.6-66.5-92.4000110.7Y81 S82 E84 R87 L102 Y103 M104 F115 F134 V160Y81-F89 CarbonylContact C-O 3.6Å; Y81-F89 WeakPolarHBondContact CA-O 3.41Å; S82-F89 PolarHBondContact N-O 3.45Å; S82-F89 PolarHBondContact O-N 3.27Å; E84-F89 HydrophobicContact CB-CD2 3.75Å; E84-F89 HydrophobicContact CB-CE2 3.77Å; E84-F89 HydrophobicContact CG-CD2 3.71Å; E84-F89 HydrophobicContact CG-CE2 4.23Å; R87-F89 HydrophobicContact CB-CE2 3.88Å; R87-F89 HydrophobicContact CB-CZ 4.32Å; F89-L102 HydrophobicContact CB-CD1 4.19Å; F89-L102 HydrophobicContact CD1-CD2 4.4Å; F89-L102 HydrophobicContact CD1-CG 4.36Å; F89-Y103 VanDerWaalsContact CA-O 3.29Å; F89-Y103 WeakPolarHBondContact CA-O 3.32Å; F89-M104 HydrophobicContact CD1-CB 4.05Å; F89-M104 HydrophobicContact CD1-CG 4.26Å; F89-M104 HydrophobicContact CE1-CB 3.74Å; F89-M104 HydrophobicContact CE1-CG 3.62Å; F89-M104 HydrophobicContact CE1-SD 3.9Å; F89-M104 HydrophobicContact CE2-CG 4.48Å; F89-M104 HydrophobicContact CZ-CB 4.38Å; F89-M104 HydrophobicContact CZ-CG 3.74Å; F89-M104 HydrophobicContact CZ-SD 3.85Å; F89-F115 HydrophobicContact CD1-CD1 4.37Å; F89-F115 AromaticContact CE1-CD1 3.85Å; F89-F115 HydrophobicContact CE1-CD1 3.85Å; F89-F115 HydrophobicContact CE1-CE1 4.13Å; F89-F115 HydrophobicContact CE1-CG 4.15Å; F89-F134 HydrophobicContact CB-CE2 4.46Å; F89-F134 HydrophobicContact CB-CZ 4.15Å; F89-F134 HydrophobicContact CD1-CE1 4.03Å; F89-F134 AromaticContact CD1-CZ 3.56Å; F89-F134 HydrophobicContact CD1-CZ 3.56Å; F89-F134 AromaticContact CD2-CE1 3.93Å; F89-F134 HydrophobicContact CD2-CE1 3.93Å; F89-F134 HydrophobicContact CD2-CE2 4.38Å; F89-F134 AromaticContact CD2-CZ 3.72Å; F89-F134 HydrophobicContact CD2-CZ 3.72Å; F89-F134 AromaticContact CE1-CE1 3.76Å; F89-F134 HydrophobicContact CE1-CE1 3.76Å; F89-F134 AromaticContact CE1-CZ 3.79Å; F89-F134 HydrophobicContact CE1-CZ 3.79Å; F89-F134 HydrophobicContact CE2-CD1 4.4Å; F89-F134 AromaticContact CE2-CE1 3.68Å; F89-F134 HydrophobicContact CE2-CE1 3.68Å; F89-F134 AromaticContact CE2-CZ 3.96Å; F89-F134 HydrophobicContact CE2-CZ 3.96Å; F89-F134 HydrophobicContact CG-CE1 4.1Å; F89-F134 HydrophobicContact CG-CE2 4.23Å; F89-F134 AromaticContact CG-CZ 3.51Å; F89-F134 HydrophobicContact CG-CZ 3.51Å; F89-F134 AromaticContact CZ-CE1 3.58Å; F89-F134 HydrophobicContact CZ-CE1 3.58Å; F89-F134 AromaticContact CZ-CZ 3.98Å; F89-F134 HydrophobicContact CZ-CZ 3.98Å; F89-V160 HydrophobicContact CE1-CG1 4.48Å; F89-V160 HydrophobicContact CZ-CG1 3.67Å; F89-V160 HydrophobicContact CZ-CG2 4.39Å
90Y97.9Very high96.3Very high9 Ų942.1 Ų42.14%0.03521%0.208CC..EExtended strand (participates in β ladder)trans-154145.9176.261-82.2000110.4V78 Y81 M92 Y103 T105 G112V78-Y90 HydrophobicContact CG1-CD2 3.77Å; V78-Y90 HydrophobicContact CG1-CE2 4.22Å; Y81-Y90 AromaticContact CD1-CD1 3.62Å; Y81-Y90 HydrophobicContact CD1-CD1 3.62Å; Y81-Y90 HydrophobicContact CD1-CE1 4.27Å; Y81-Y90 HydrophobicContact CD1-CG 4.14Å; Y81-Y90 HydrophobicContact CD2-CG 4.47Å; Y81-Y90 AromaticContact CE1-CD1 3.26Å; Y81-Y90 HydrophobicContact CE1-CD1 3.26Å; Y81-Y90 AromaticContact CE1-CE1 3.5Å; Y81-Y90 HydrophobicContact CE1-CE1 3.5Å; Y81-Y90 VanDerWaalsContact CE1-CE1 3.5Å; Y81-Y90 AromaticContact CE1-CG 3.87Å; Y81-Y90 HydrophobicContact CE1-CG 3.87Å; Y81-Y90 HydrophobicContact CE2-CD1 4.42Å; Y81-Y90 HydrophobicContact CE2-CG 4.2Å; Y81-Y90 HydrophobicContact CG-CD1 4.34Å; Y81-Y90 HydrophobicContact CG-CG 4.44Å; Y81-Y90 AromaticContact CZ-CD1 3.72Å; Y81-Y90 AromaticContact CZ-CE1 3.88Å; Y81-Y90 AromaticContact CZ-CG 3.89Å; Y90-M92 HydrophobicContact CD2-CB 4.21Å; Y90-M92 HydrophobicContact CE2-CB 4.06Å; Y90-M92 HydrophobicContact CE2-SD 4.18Å; Y90-Y103 HydrophobicContact CE2-CG 4.17Å; Y90-Y103 PolarHBondContact N-O 2.99Å; Y90-Y103 VanDerWaalsContact N-O 3.14Å; Y90-Y103 PolarHBondContact O-N 2.93Å; Y90-T105 HydrophobicContact CE1-CG2 4.22Å; Y90-G112 PolarHBondContact OH-N 3.4Å
91K97.4Very high96.3Very high70 Ų7040.5 Ų40.530%0.30420%0.198SC..EExtended strand (participates in β ladder)trans-80.4139.9170.6-72.2-172.3176.6-175.50109.5G79 V101 L102 N129G79-K91 PolarHBondContact N-O 3.48Å; K91-V101 CarbonylContact C-O 3.51Å; K91-V101 WeakPolarHBondContact CA-O 3.3Å; K91-L102 HydrophobicContact CG-CD1 4.25Å; K91-N129 WeakPolarHBondContact CE-OD1 3.24Å; K91-N129 PolarHBondContact NZ-O 3.48Å; K91-N129 PolarHBondContact NZ-OD1 3.25Å
92M97.3Very high96.4Very high16 Ų1640 Ų408%0.07920%0.196CC..EExtended strand (participates in β ladder)trans-137.8141.6173.7-173.1170.970.600110.9E76 K77 V78 Y90 K94 S100 V101 Y103E76-M92 HydrophobicContact CG-CG 4.06Å; E76-M92 HydrophobicContact CG-SD 4.06Å; K77-M92 CarbonylContact O-C 3.59Å; K77-M92 VanDerWaalsContact O-CA 3.29Å; K77-M92 WeakPolarHBondContact O-CA 3.44Å; V78-M92 HydrophobicContact CG2-CG 4.08Å; V78-M92 HydrophobicContact CG2-SD 4.16Å; Y90-M92 HydrophobicContact CD2-CB 4.21Å; Y90-M92 HydrophobicContact CE2-CB 4.06Å; Y90-M92 HydrophobicContact CE2-SD 4.18Å; M92-K94 HydrophobicContact CE-CG 4.39Å; M92-S100 CarbonylContact O-C 3.59Å; M92-S100 WeakPolarHBondContact O-CA 3.33Å; M92-V101 PolarHBondContact N-O 3.04Å; M92-V101 PolarHBondContact O-N 3.34Å; M92-Y103 HydrophobicContact CB-CD2 3.65Å; M92-Y103 HydrophobicContact CB-CE2 3.76Å; M92-Y103 HydrophobicContact CE-CD1 4.22Å; M92-Y103 HydrophobicContact CE-CD2 4Å; M92-Y103 HydrophobicContact CE-CE1 3.71Å; M92-Y103 HydrophobicContact CE-CE2 3.43Å; M92-Y103 VanDerWaalsContact CE-CE2 3.43Å; M92-Y103 HydrophobicContact CE-CG 4.36Å; M92-Y103 HydrophobicContact CG-CE2 4.49Å
93N96.5Very high96.4Very high4 Ų439.2 Ų39.22%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-124.4125.4166.1-173-33.2000107.8E76 K77 G95 Q97E76-N93 CarbonylContact C-O 3.58Å; E76-N93 WeakPolarHBondContact CA-O 3.36Å; K77-N93 HydrophobicContact CB-CB 4.24Å; K77-N93 HydrophobicContact CD-CB 4.41Å; K77-N93 PolarHBondContact N-O 3.29Å; K77-N93 PolarHBondContact O-N 3.24Å; N93-G95 PolarHBondContact O-N 3.4Å; N93-G95 PolarHBondContact OD1-N 3.15Å; N93-G95 PolarHBondContact OD1-O 3.45Å; N93-G95 VanDerWaalsContact OD1-O 3.08Å; N93-Q97 PolarHBondContact ND2-O 2.96Å; N93-Q97 WeakPolarHBondContact OD1-CB 3.36Å; N93-Q97 PolarHBondContact OD1-N 3Å; N93-Q97 VanDerWaalsContact OD1-N 3.14Å
94K94.8Very high96.5Very high129 Ų12938.3 Ų38.356%0.56119%0.186SC*.  trans-72.8-2.8-177.2-67.6-178.2176.1-177.50114.5M92 Y103M92-K94 HydrophobicContact CE-CG 4.39Å; K94-Y103 WeakPolarHBondContact CE-OH 3.2Å
95G94.9Very high96.5Very high0 Ų037.7 Ų37.70%018%0.184CC..SBendtrans151.2-89.6-177.300000109.5D74 Y75 K77 N93D74-G95 WeakPolarHBondContact OD1-CA 3.42Å; Y75-G95 WeakPolarHBondContact O-CA 3.36Å; K77-G95 PolarHBondContact NZ-O 2.96Å; N93-G95 PolarHBondContact O-N 3.4Å; N93-G95 PolarHBondContact OD1-N 3.15Å; N93-G95 PolarHBondContact OD1-O 3.45Å; N93-G95 VanDerWaalsContact OD1-O 3.08Å
96L95.2Very high96.6Very high71 Ų7143.1 Ų43.137%0.37220%0.202SC..SBendtrans-106.816.9-171.6-58.4176.1000114.4E73 D74 N98 V691E73-L96 HydrophobicContact CB-CD2 3.93Å; E73-L96 HydrophobicContact CG-CD2 4.12Å; D74-L96 HydrophobicContact CB-CD1 4.14Å; D74-L96 HydrophobicContact CB-CD2 4.2Å; D74-L96 HydrophobicContact CB-CG 3.96Å; L96-N98 PolarHBondContact O-N 3.03Å; L96-V691 HydrophobicContact CD2-CG1 4.37Å
97Q95.9Very high96.8Very high48 Ų4837.2 Ų37.222%0.22418%0.179CC..  trans-61.5140.2173.2-59.8177.3-95.700108.9N93 Q99 V691N93-Q97 PolarHBondContact ND2-O 2.96Å; N93-Q97 WeakPolarHBondContact OD1-CB 3.36Å; N93-Q97 PolarHBondContact OD1-N 3Å; N93-Q97 VanDerWaalsContact OD1-N 3.14Å; Q97-Q99 PolarHBondContact O-N 3.47Å; Q97-V691 WeakPolarHBondContact O-CB 3.36Å; Q97-V691 WeakPolarHBondContact O-CG2 3.39Å
98N94.8Very high96.6Very high28 Ų2836.7 Ų36.715%0.1518%0.177CC..SBendtrans-60.7-38.1-178.1-75.2-31.6000111.9L96 N119 P690 V691 N692L96-N98 PolarHBondContact O-N 3.03Å; N98-N119 PolarHBondContact N-OD1 3.1Å; N98-P690 HydrophobicContact CB-CB 4.03Å; N98-P690 WeakPolarHBondContact O-CA 3.49Å; N98-V691 PolarHBondContact O-N 3.27Å; N98-V691 VanDerWaalsContact O-N 3.14Å; N98-N692 VanDerWaalsContact OD1-CG 3.23Å; N98-N692 PolarHBondContact OD1-OD1 2.78Å; N98-N692 VanDerWaalsContact OD1-OD1 3.11Å
99Q95.6Very high96.5Very high21 Ų2142.6 Ų42.610%0.09820%0.203CC..SBendtrans-128.1146.7177.4-59.2-63.7-23.900111Q97 P118 N119 G125 I127 G688Q97-Q99 PolarHBondContact O-N 3.47Å; Q99-P118 HydrophobicContact CB-CB 3.93Å; Q99-P118 HydrophobicContact CB-CG 4.23Å; Q99-P118 HydrophobicContact CG-CB 4.15Å; Q99-N119 PolarHBondContact N-OD1 3.08Å; Q99-N119 PolarHBondContact O-ND2 3.36Å; Q99-G125 PolarHBondContact NE2-O 3.37Å; Q99-I127 WeakPolarHBondContact CG-O 3.47Å; Q99-G688 PolarHBondContact NE2-O 3.27Å
100S96.5Very high96.3Very high43 Ų4346 Ų4630%0.30122%0.224SC..PPolyproline II helixtrans-66.3140.1167.9-61.80000110.9M92M92-S100 CarbonylContact O-C 3.59Å; M92-S100 WeakPolarHBondContact O-CA 3.33Å
101V97.7Very high96.1Very high1 Ų151 Ų511%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-93.8139.7175.8178.60000108.9K91 M92 Y103 P114 L116 D117K91-V101 CarbonylContact C-O 3.51Å; K91-V101 WeakPolarHBondContact CA-O 3.3Å; M92-V101 PolarHBondContact N-O 3.04Å; M92-V101 PolarHBondContact O-N 3.34Å; V101-Y103 HydrophobicContact CB-CD2 4.18Å; V101-Y103 HydrophobicContact CB-CE2 3.71Å; V101-Y103 HydrophobicContact CG1-CD2 4.09Å; V101-Y103 HydrophobicContact CG1-CE2 3.75Å; V101-Y103 WeakPolarHBondContact O-CD2 3.27Å; V101-P114 HydrophobicContact CG1-CB 3.97Å; V101-L116 WeakPolarHBondContact CG1-O 3.32Å; V101-D117 HydrophobicContact CG1-CB 4.01Å; V101-D117 HydrophobicContact CG2-CB 4.18Å; V101-D117 WeakPolarHBondContact CG2-OD1 3.31Å
102L98Very high96.1Very high6 Ų648.3 Ų48.33%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-81123.2170.6-17663.9000109F89 K91 F115 L116 L132 L141F89-L102 HydrophobicContact CB-CD1 4.19Å; F89-L102 HydrophobicContact CD1-CD2 4.4Å; F89-L102 HydrophobicContact CD1-CG 4.36Å; K91-L102 HydrophobicContact CG-CD1 4.25Å; L102-F115 HydrophobicContact CD2-CD1 4.02Å; L102-F115 WeakPolarHBondContact O-CA 3.42Å; L102-F115 PolarHBondContact O-N 3.06Å; L102-L116 HydrophobicContact CB-CB 3.95Å; L102-L116 HydrophobicContact CD2-CB 4.27Å; L102-L116 PolarHBondContact N-O 2.94Å; L102-L116 PolarHBondContact O-N 2.88Å; L102-L116 VanDerWaalsContact O-N 3.14Å; L102-L132 HydrophobicContact CD1-CD1 3.89Å; L102-L132 HydrophobicContact CD2-CD1 4Å; L102-L132 HydrophobicContact CD2-CD2 3.8Å; L102-L141 HydrophobicContact CD2-CD2 3.93Å
103Y98.2Very high96Very high13 Ų1351.5 Ų51.55%0.05127%0.271CS..EExtended strand (participates in β ladder)trans-103.9154176.7-80.2-101.2000111.2F89 Y90 M92 K94 V101 G112 T113 P114F89-Y103 VanDerWaalsContact CA-O 3.29Å; F89-Y103 WeakPolarHBondContact CA-O 3.32Å; Y90-Y103 HydrophobicContact CE2-CG 4.17Å; Y90-Y103 PolarHBondContact N-O 2.99Å; Y90-Y103 VanDerWaalsContact N-O 3.14Å; Y90-Y103 PolarHBondContact O-N 2.93Å; M92-Y103 HydrophobicContact CB-CD2 3.65Å; M92-Y103 HydrophobicContact CB-CE2 3.76Å; M92-Y103 HydrophobicContact CE-CD1 4.22Å; M92-Y103 HydrophobicContact CE-CD2 4Å; M92-Y103 HydrophobicContact CE-CE1 3.71Å; M92-Y103 HydrophobicContact CE-CE2 3.43Å; M92-Y103 VanDerWaalsContact CE-CE2 3.43Å; M92-Y103 HydrophobicContact CE-CG 4.36Å; M92-Y103 HydrophobicContact CG-CE2 4.49Å; K94-Y103 WeakPolarHBondContact CE-OH 3.2Å; V101-Y103 HydrophobicContact CB-CD2 4.18Å; V101-Y103 HydrophobicContact CB-CE2 3.71Å; V101-Y103 HydrophobicContact CG1-CD2 4.09Å; V101-Y103 HydrophobicContact CG1-CE2 3.75Å; V101-Y103 WeakPolarHBondContact O-CD2 3.27Å; Y103-G112 WeakPolarHBondContact CD1-O 3.35Å; Y103-T113 CarbonylContact C-O 3.56Å; Y103-T113 VanDerWaalsContact CA-O 3.3Å; Y103-T113 WeakPolarHBondContact CA-O 3.4Å; Y103-T113 VanDerWaalsContact CD1-C 3.4Å; Y103-P114 HydrophobicContact CD1-CG 4.42Å; Y103-P114 HydrophobicContact CE1-CB 4.46Å; Y103-P114 HydrophobicContact CE1-CG 3.7Å
104M97.9Very high96Very high34 Ų3455.3 Ų55.317%0.16730%0.295CS..EExtended strand (participates in β ladder)trans-128.2137.6177.2-178.7-177.775.100110.1R87 Y88 F89 G112 T113 F115 V160R87-M104 HydrophobicContact CB-CG 4.27Å; R87-M104 WeakPolarHBondContact CD-SD 3.47Å; Y88-M104 CarbonylContact O-C 3.59Å; Y88-M104 WeakPolarHBondContact O-CA 3.2Å; F89-M104 HydrophobicContact CD1-CB 4.05Å; F89-M104 HydrophobicContact CD1-CG 4.26Å; F89-M104 HydrophobicContact CE1-CB 3.74Å; F89-M104 HydrophobicContact CE1-CG 3.62Å; F89-M104 HydrophobicContact CE1-SD 3.9Å; F89-M104 HydrophobicContact CE2-CG 4.48Å; F89-M104 HydrophobicContact CZ-CB 4.38Å; F89-M104 HydrophobicContact CZ-CG 3.74Å; F89-M104 HydrophobicContact CZ-SD 3.85Å; M104-G112 CarbonylContact O-C 3.55Å; M104-G112 WeakPolarHBondContact O-CA 3.46Å; M104-T113 PolarHBondContact N-O 3.01Å; M104-T113 PolarHBondContact O-N 3.14Å; M104-F115 HydrophobicContact CB-CB 3.93Å; M104-F115 HydrophobicContact CB-CG 4.35Å; M104-F115 HydrophobicContact CE-CD2 4.42Å; M104-F115 HydrophobicContact SD-CD2 3.99Å; M104-F115 HydrophobicContact SD-CE2 4.31Å; M104-V160 HydrophobicContact SD-CG1 3.79Å
105T97.6Very high96.1Very high13 Ų1350 Ų508%0.0827%0.272CS..EExtended strand (participates in β ladder)trans-143153.4172.2-174.30000110.8Y81 R87 Y88 Y90 D107 V110Y81-T105 HydrophobicContact CE1-CG2 4.48Å; R87-T105 CarbonylContact C-O 3.58Å; R87-T105 WeakPolarHBondContact CA-O 3.42Å; Y88-T105 HydrophobicContact CD2-CG2 4.42Å; Y88-T105 PolarHBondContact N-O 3.16Å; Y88-T105 PolarHBondContact O-N 3.27Å; Y90-T105 HydrophobicContact CE1-CG2 4.22Å; T105-D107 VanDerWaalsContact CG2-O 3.26Å; T105-D107 WeakPolarHBondContact CG2-O 3.29Å; T105-D107 PolarHBondContact OG1-N 2.94Å; T105-D107 PolarHBondContact OG1-O 3.3Å; T105-V110 PolarHBondContact OG1-O 3.46Å; T105-V110 VanDerWaalsContact OG1-O 3.14Å
106E96.2Very high96.2Very high143 Ų14350.7 Ų50.767%0.66828%0.276SS*.SBendtrans-84.5-20.8172.3-59.5-166.7159.200112.2R87R87-E106 HydrophobicContact CG-CG 4.45Å
107D96.4Very high96.2Very high66 Ų6650 Ų5035%0.35327%0.273SS..SBendtrans-136.1122.8175.5-177.2-10.7000108.6T105 K109 V110T105-D107 VanDerWaalsContact CG2-O 3.26Å; T105-D107 WeakPolarHBondContact CG2-O 3.29Å; T105-D107 PolarHBondContact OG1-N 2.94Å; T105-D107 PolarHBondContact OG1-O 3.3Å; D107-K109 PolarHBondContact O-N 3.11Å; D107-K109 WeakPolarHBondContact OD1-CB 3.33Å; D107-K109 WeakPolarHBondContact OD1-CG 3.21Å; D107-K109 PolarHBondContact OD1-N 3.2Å; D107-V110 HydrophobicContact CB-CB 4.49Å; D107-V110 HydrophobicContact CB-CG2 4.12Å; D107-V110 PolarHBondContact O-N 3.19Å; D107-V110 VanDerWaalsContact O-O 3.08Å
108W94.8Very high96.2Very high28 Ų2847.9 Ų47.911%0.10626%0.263CS..THydrogen-bonded Turntrans-60.5-18.718064.5-102000113.4Y81 Y88 V110 F396 H410 T423 V425Y81-W108 HydrophobicContact CD1-CB 3.82Å; Y81-W108 HydrophobicContact CE1-CB 3.96Å; Y88-W108 HydrophobicContact CD1-CB 4.18Å; Y88-W108 HydrophobicContact CD2-CB 4.26Å; Y88-W108 HydrophobicContact CE1-CB 4.44Å; Y88-W108 AromaticContact CE1-CD1 3.85Å; Y88-W108 HydrophobicContact CG-CB 4.09Å; Y88-W108 AromaticContact CZ-CD1 3.71Å; W108-V110 VanDerWaalsContact C-N 3.3Å; W108-F396 HydrophobicContact CB-CE1 4.16Å; W108-F396 HydrophobicContact CB-CZ 3.99Å; W108-F396 AromaticContact CD1-CZ 3.59Å; W108-F396 HydrophobicContact CD2-CE1 4.05Å; W108-F396 HydrophobicContact CD2-CZ 4.16Å; W108-F396 HydrophobicContact CE3-CE1 4.47Å; W108-F396 AromaticContact CG-CE1 3.92Å; W108-F396 HydrophobicContact CG-CE1 3.92Å; W108-F396 AromaticContact CG-CZ 3.66Å; W108-F396 HydrophobicContact CG-CZ 3.66Å; W108-F396 AromaticContact NE1-CZ 3.97Å; W108-H410 HydrophobicContact CH2-CB 4.35Å; W108-H410 AromaticContact CH2-ND1 3.94Å; W108-H410 HydrophobicContact CZ2-CB 4.35Å; W108-H410 AromaticContact CZ2-CE1 3.64Å; W108-H410 AromaticContact CZ2-CG 3.75Å; W108-H410 AromaticContact CZ2-ND1 3.38Å; W108-H410 WeakPolarHBondContact CZ2-ND1 3.49Å; W108-H410 AromaticContact NE1-NE2 3.81Å; W108-T423 HydrophobicContact CH2-CG2 4.24Å; W108-V425 HydrophobicContact CE3-CG1 3.88Å; W108-V425 HydrophobicContact CE3-CG2 4.06Å; W108-V425 HydrophobicContact CH2-CG2 4.45Å; W108-V425 HydrophobicContact CZ3-CB 4.4Å; W108-V425 HydrophobicContact CZ3-CG1 4.13Å; W108-V425 HydrophobicContact CZ3-CG2 3.81Å
109K95.2Very high96.2Very high147 Ų14748 Ų4864%0.63926%0.264SS*.THydrogen-bonded Turntrans-78.4-13.4174.9-62172.4-175.3170.20113.4D107D107-K109 PolarHBondContact O-N 3.11Å; D107-K109 WeakPolarHBondContact OD1-CB 3.33Å; D107-K109 WeakPolarHBondContact OD1-CG 3.21Å; D107-K109 PolarHBondContact OD1-N 3.2Å
110V94.6Very high96.1Very high77 Ų7750.8 Ų50.847%0.46729%0.29SS..SBendtrans-107.2135.8179.4-177.20000108.8T105 D107 W108 G112T105-V110 PolarHBondContact OG1-O 3.46Å; T105-V110 VanDerWaalsContact OG1-O 3.14Å; D107-V110 HydrophobicContact CB-CB 4.49Å; D107-V110 HydrophobicContact CB-CG2 4.12Å; D107-V110 PolarHBondContact O-N 3.19Å; D107-V110 VanDerWaalsContact O-O 3.08Å; W108-V110 VanDerWaalsContact C-N 3.3Å; V110-G112 PolarHBondContact O-N 3.02Å
111P93.2Very high95.8Very high112 Ų11253.4 Ų53.473%0.72730%0.3SS*.  trans-54.3130.8174.2-25.834.5000111.7
112G96.1Very high95.4Very high14 Ų1453.8 Ų53.814%0.14430%0.303CS..  trans-76.1172.5177.600000114Y90 Y103 M104 V110Y90-G112 PolarHBondContact OH-N 3.4Å; Y103-G112 WeakPolarHBondContact CD1-O 3.35Å; M104-G112 CarbonylContact O-C 3.55Å; M104-G112 WeakPolarHBondContact O-CA 3.46Å; V110-G112 PolarHBondContact O-N 3.02Å
113T96.8Very high94.8Very high84 Ų8459.4 Ų59.452%0.51534%0.34SS..EExtended strand (participates in β ladder)trans-105149.5171.956.10000110.9Y103 M104 F115Y103-T113 CarbonylContact C-O 3.56Å; Y103-T113 VanDerWaalsContact CA-O 3.3Å; Y103-T113 WeakPolarHBondContact CA-O 3.4Å; Y103-T113 VanDerWaalsContact CD1-C 3.4Å; M104-T113 PolarHBondContact N-O 3.01Å; M104-T113 PolarHBondContact O-N 3.14Å; T113-F115 PolarHBondContact O-N 2.81Å
114P96.9Very high94.3Very high83 Ų8361.6 Ų61.654%0.53935%0.353SS..EExtended strand (participates in β ladder)trans-58.3127.8175-24.534.4000111.9V101 Y103V101-P114 HydrophobicContact CG1-CB 3.97Å; Y103-P114 HydrophobicContact CD1-CG 4.42Å; Y103-P114 HydrophobicContact CE1-CB 4.46Å; Y103-P114 HydrophobicContact CE1-CG 3.7Å
115F96.9Very high93.9Very high18 Ų1860 Ų608%0.07935%0.345CS..EExtended strand (participates in β ladder)trans-111.3-39.3178.5-175.9-109.3000112.7F89 L102 M104 T113 L141 K158 V160F89-F115 HydrophobicContact CD1-CD1 4.37Å; F89-F115 AromaticContact CE1-CD1 3.85Å; F89-F115 HydrophobicContact CE1-CD1 3.85Å; F89-F115 HydrophobicContact CE1-CE1 4.13Å; F89-F115 HydrophobicContact CE1-CG 4.15Å; L102-F115 HydrophobicContact CD2-CD1 4.02Å; L102-F115 WeakPolarHBondContact O-CA 3.42Å; L102-F115 PolarHBondContact O-N 3.06Å; M104-F115 HydrophobicContact CB-CB 3.93Å; M104-F115 HydrophobicContact CB-CG 4.35Å; M104-F115 HydrophobicContact CE-CD2 4.42Å; M104-F115 HydrophobicContact SD-CD2 3.99Å; M104-F115 HydrophobicContact SD-CE2 4.31Å; T113-F115 PolarHBondContact O-N 2.81Å; F115-L141 HydrophobicContact CD1-CD2 4.22Å; F115-L141 HydrophobicContact CE1-CB 4.36Å; F115-L141 HydrophobicContact CE1-CD2 3.66Å; F115-K158 HydrophobicContact CE1-CD 4.19Å; F115-K158 HydrophobicContact CE2-CD 4.47Å; F115-K158 HydrophobicContact CZ-CD 3.93Å; F115-K158 HydrophobicContact CZ-CG 4.08Å; F115-K158 PolarHBondContact O-NZ 3.41Å; F115-V160 HydrophobicContact CE2-CG1 4.48Å; F115-V160 HydrophobicContact CZ-CB 4.32Å; F115-V160 HydrophobicContact CZ-CG1 4.45Å; F115-V160 HydrophobicContact CZ-CG2 4.03Å
116L96.2Very high93.6Very high14 Ų1460.1 Ų60.17%0.07335%0.346CS..EExtended strand (participates in β ladder)trans-141117.5174.5-179.170.9000109.6V101 L102 L132 Y143 M145V101-L116 WeakPolarHBondContact CG1-O 3.32Å; L102-L116 HydrophobicContact CB-CB 3.95Å; L102-L116 HydrophobicContact CD2-CB 4.27Å; L102-L116 PolarHBondContact N-O 2.94Å; L102-L116 PolarHBondContact O-N 2.88Å; L102-L116 VanDerWaalsContact O-N 3.14Å; L116-L132 HydrophobicContact CD2-CD2 4.29Å; L116-Y143 HydrophobicContact CD1-CD2 4.11Å; L116-Y143 HydrophobicContact CD1-CE2 4Å; L116-Y143 HydrophobicContact CD2-CD2 3.8Å; L116-Y143 HydrophobicContact CD2-CG 3.87Å; L116-M145 HydrophobicContact CD1-CE 3.77Å; L116-M145 HydrophobicContact CD2-CE 3.72Å; L116-M145 HydrophobicContact CG-CE 3.86Å
117D95.7Very high93.4Very high58 Ų5854.5 Ų54.531%0.3132%0.32SS..  trans-116.7101.9-178.3-173.4-4.2000111.3V101 N119 A120V101-D117 HydrophobicContact CG1-CB 4.01Å; V101-D117 HydrophobicContact CG2-CB 4.18Å; V101-D117 WeakPolarHBondContact CG2-OD1 3.31Å; D117-N119 PolarHBondContact O-N 2.82Å; D117-N119 WeakPolarHBondContact OD1-CA 3.22Å; D117-N119 VanDerWaalsContact OD1-CB 3.23Å; D117-N119 WeakPolarHBondContact OD1-CB 3.41Å; D117-N119 PolarHBondContact OD1-N 2.9Å; D117-N119 PolarHBondContact OD1-ND2 2.98Å; D117-A120 HydrophobicContact CB-CB 4.39Å; D117-A120 PolarHBondContact O-N 3.24Å
118P95Very high93.3Very high2 Ų251.5 Ų51.51%0.01330%0.304CS..G310 helixtrans-63.5-26175.9-21.133000113.7Q99 A120 L121 A122 I127 N129 M145Q99-P118 HydrophobicContact CB-CB 3.93Å; Q99-P118 HydrophobicContact CB-CG 4.23Å; Q99-P118 HydrophobicContact CG-CB 4.15Å; P118-A120 PolarHBondContact O-N 2.83Å; P118-L121 WeakPolarHBondContact O-CB 3.45Å; P118-L121 PolarHBondContact O-N 2.63Å; P118-A122 PolarHBondContact O-N 2.83Å; P118-I127 WeakPolarHBondContact CB-O 3.47Å; P118-N129 HydrophobicContact CG-CB 4.03Å; P118-M145 HydrophobicContact CG-CE 4.36Å
119N95.4Very high93.3Very high32 Ų3251 Ų5117%0.17130%0.304CS..G310 helixtrans-67.7-23.6-179.5-51.4-86.1000111.9N98 Q99 D117 L121N98-N119 PolarHBondContact N-OD1 3.1Å; Q99-N119 PolarHBondContact N-OD1 3.08Å; Q99-N119 PolarHBondContact O-ND2 3.36Å; D117-N119 PolarHBondContact O-N 2.82Å; D117-N119 WeakPolarHBondContact OD1-CA 3.22Å; D117-N119 VanDerWaalsContact OD1-CB 3.23Å; D117-N119 WeakPolarHBondContact OD1-CB 3.41Å; D117-N119 PolarHBondContact OD1-N 2.9Å; D117-N119 PolarHBondContact OD1-ND2 2.98Å; N119-L121 VanDerWaalsContact C-N 3.28Å
120A93.2Very high93.2Very high79 Ų7947.2 Ų47.265%0.65329%0.285SS*.G310 helixtrans-74-19.2174.400000113D117 P118D117-A120 HydrophobicContact CB-CB 4.39Å; D117-A120 PolarHBondContact O-N 3.24Å; P118-A120 PolarHBondContact O-N 2.83Å
121L90.5Very high93.2Very high98 Ų9844.5 Ų44.551%0.51327%0.268SS..THydrogen-bonded Turntrans-88.7-35.5-178.7-58177.3000112.4P118 N119 I127 M145P118-L121 WeakPolarHBondContact O-CB 3.45Å; P118-L121 PolarHBondContact O-N 2.63Å; N119-L121 VanDerWaalsContact C-N 3.28Å; L121-I127 HydrophobicContact CB-CB 4.46Å; L121-I127 HydrophobicContact CB-CD1 3.91Å; L121-I127 HydrophobicContact CB-CG2 4.33Å; L121-I127 HydrophobicContact CD1-CG2 4.12Å; L121-M145 HydrophobicContact CD1-CE 3.82Å
122A89.2Confident93.4Very high8 Ų841.9 Ų41.97%0.06625%0.248CC..  trans-137.8110.5176.600000110.3P118 D124 G125 I127P118-A122 PolarHBondContact O-N 2.83Å; A122-D124 PolarHBondContact O-N 3.04Å; A122-G125 WeakPolarHBondContact O-CA 3.38Å; A122-G125 PolarHBondContact O-N 3.23Å; A122-I127 HydrophobicContact CB-CB 3.92Å; A122-I127 HydrophobicContact CB-CD1 3.83Å; A122-I127 HydrophobicContact CB-CG1 3.65Å
123P84.6Confident93.5Very high125 Ų12542.3 Ų42.381%0.81225%0.249SC*.THydrogen-bonded Turntrans-59.4-29.7179.9-2735.2000114.3G125P123-G125 PolarHBondContact O-N 3.36Å
124D88.2Confident93.5Very high59 Ų5939.6 Ų39.632%0.31623%0.23SC..THydrogen-bonded Turntrans-80.3-0174.2663.7000113.2A122 T126 K682A122-D124 PolarHBondContact O-N 3.04Å; D124-T126 VanDerWaalsContact C-N 3.28Å; D124-T126 HydrophobicContact CB-CG2 4.41Å; D124-T126 VanDerWaalsContact CG-CG2 3.49Å; D124-T126 PolarHBondContact O-N 3Å; D124-T126 WeakPolarHBondContact OD1-CB 3.27Å; D124-T126 VanDerWaalsContact OD1-CG2 3.27Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.38Å; D124-T126 PolarHBondContact OD1-N 3.43Å; D124-T126 PolarHBondContact OD1-OG1 2.71Å; D124-K682 IonicContact OD2-NZ 3.59Å; D124-K682 PolarHBondContact OD2-NZ 2.92Å
125G89.6Confident93.5Very high0 Ų035.7 Ų35.70%021%0.205CC..SBendtrans77.56.4176.200000115Q99 A122 P123 I127 P690Q99-G125 PolarHBondContact NE2-O 3.37Å; A122-G125 WeakPolarHBondContact O-CA 3.38Å; A122-G125 PolarHBondContact O-N 3.23Å; P123-G125 PolarHBondContact O-N 3.36Å; G125-I127 PolarHBondContact O-N 2.94Å; G125-P690 WeakPolarHBondContact O-CG 3.02Å
126T90.2Very high93.4Very high15 Ų1539.8 Ų39.89%0.09222%0.22CC..  trans-73.6-4-171.854.70000114.6D124 E147 N148 K682D124-T126 VanDerWaalsContact C-N 3.28Å; D124-T126 HydrophobicContact CB-CG2 4.41Å; D124-T126 VanDerWaalsContact CG-CG2 3.49Å; D124-T126 PolarHBondContact O-N 3Å; D124-T126 WeakPolarHBondContact OD1-CB 3.27Å; D124-T126 VanDerWaalsContact OD1-CG2 3.27Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.38Å; D124-T126 PolarHBondContact OD1-N 3.43Å; D124-T126 PolarHBondContact OD1-OG1 2.71Å; T126-E147 CarbonylContact O-C 3.5Å; T126-N148 PolarHBondContact O-N 2.82Å; T126-K682 HydrophobicContact CG2-CB 3.97Å; T126-K682 HydrophobicContact CG2-CD 4.36Å
127I93.3Very high93.3Very high26 Ų2643.8 Ų43.813%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-100.9122.8169.7-63.6178000109Q99 P118 L121 A122 G125 M145 S146 E147Q99-I127 WeakPolarHBondContact CG-O 3.47Å; P118-I127 WeakPolarHBondContact CB-O 3.47Å; L121-I127 HydrophobicContact CB-CB 4.46Å; L121-I127 HydrophobicContact CB-CD1 3.91Å; L121-I127 HydrophobicContact CB-CG2 4.33Å; L121-I127 HydrophobicContact CD1-CG2 4.12Å; A122-I127 HydrophobicContact CB-CB 3.92Å; A122-I127 HydrophobicContact CB-CD1 3.83Å; A122-I127 HydrophobicContact CB-CG1 3.65Å; G125-I127 PolarHBondContact O-N 2.94Å; I127-M145 HydrophobicContact CG2-CB 4.11Å; I127-M145 HydrophobicContact CG2-CG 4.34Å; I127-M145 HydrophobicContact CG2-SD 4.26Å; I127-S146 WeakPolarHBondContact CA-O 3.2Å; I127-E147 HydrophobicContact CG1-CG 4.16Å
128A93.7Very high93.3Very high3 Ų341.3 Ų41.33%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-122.6141.6-178.600000111.9R130 M145 S146 G688A128-R130 PolarHBondContact O-N 3.45Å; A128-M145 WeakPolarHBondContact O-CA 3.23Å; A128-S146 PolarHBondContact N-O 2.79Å; A128-S146 PolarHBondContact O-N 2.88Å; A128-G688 VanDerWaalsContact CB-CA 3.42Å
129N94.7Very high93.4Very high18 Ų1843 Ų4310%0.09624%0.241CC..EExtended strand (participates in β ladder)trans-79.1115.2172171.1-112.6000111.1K91 P118 L131 L132 G144 M145K91-N129 WeakPolarHBondContact CE-OD1 3.24Å; K91-N129 PolarHBondContact NZ-O 3.48Å; K91-N129 PolarHBondContact NZ-OD1 3.25Å; P118-N129 HydrophobicContact CG-CB 4.03Å; N129-L131 PolarHBondContact ND2-O 2.97Å; N129-L132 WeakPolarHBondContact OD1-CD2 3.19Å; N129-L132 WeakPolarHBondContact OD1-CG 3.39Å; N129-G144 WeakPolarHBondContact CA-O 3.49Å; N129-G144 PolarHBondContact ND2-O 2.9Å; N129-M145 VanDerWaalsContact CA-SD 3.53Å; N129-M145 HydrophobicContact CB-CE 4.25Å; N129-M145 HydrophobicContact CB-SD 3.73Å
130R92.7Very high93.5Very high66 Ų6642.3 Ų42.325%0.24924%0.237CC..EExtended strand (participates in β ladder)trans-104.1-25.7-175.6-59.6-72.4-88.7116.9-3.4113.8A128 G144 S146 D151 I153A128-R130 PolarHBondContact O-N 3.45Å; R130-G144 PolarHBondContact N-O 3.11Å; R130-S146 VanDerWaalsContact CD-OG 3.31Å; R130-S146 WeakPolarHBondContact CD-OG 3.48Å; R130-S146 WeakPolarHBondContact CG-OG 3.47Å; R130-D151 IonicContact NH2-OD1 3.85Å; R130-D151 PolarHBondContact NH2-OD1 3.35Å; R130-I153 HydrophobicContact CB-CD1 3.6Å; R130-I153 HydrophobicContact CB-CG1 3.94Å; R130-I153 HydrophobicContact CG-CD1 4.36Å; R130-I153 HydrophobicContact CG-CG1 4.27Å
131L95.4Very high93.7Very high20 Ų2038.5 Ų38.511%0.10521%0.206CC..EExtended strand (participates in β ladder)trans-135.3139.2-175.9-178.4146.9000110.8N129 Y143 G144 V155 T176 V178N129-L131 PolarHBondContact ND2-O 2.97Å; L131-Y143 CarbonylContact O-C 3.58Å; L131-Y143 VanDerWaalsContact O-CA 3.29Å; L131-Y143 WeakPolarHBondContact O-CA 3.41Å; L131-G144 PolarHBondContact N-O 3.1Å; L131-G144 PolarHBondContact O-N 3.32Å; L131-V155 HydrophobicContact CD2-CG2 4.38Å; L131-T176 HydrophobicContact CD1-CG2 4.06Å; L131-V178 HydrophobicContact CD1-CB 4.06Å; L131-V178 HydrophobicContact CD1-CG2 3.6Å; L131-V178 HydrophobicContact CD2-CB 4.16Å; L131-V178 HydrophobicContact CD2-CG2 4.01Å; L131-V178 HydrophobicContact CG-CG2 4.47Å
132L97.2Very high94.1Very high57 Ų5733.9 Ų33.930%0.29818%0.182SC..EExtended strand (participates in β ladder)trans-139.1124.8169.8-64173.3000107.2L102 L116 N129 L141 A142L102-L132 HydrophobicContact CD1-CD1 3.89Å; L102-L132 HydrophobicContact CD2-CD1 4Å; L102-L132 HydrophobicContact CD2-CD2 3.8Å; L116-L132 HydrophobicContact CD2-CD2 4.29Å; N129-L132 WeakPolarHBondContact OD1-CD2 3.19Å; N129-L132 WeakPolarHBondContact OD1-CG 3.39Å; L132-L141 HydrophobicContact CB-CD1 4.14Å; L132-L141 HydrophobicContact CD2-CD1 3.85Å; L132-L141 HydrophobicContact CD2-CD2 3.93Å; L132-L141 HydrophobicContact CD2-CG 4.42Å; L132-A142 WeakPolarHBondContact CA-O 3.4Å
133S97.6Very high94.5Very high24 Ų2433.8 Ų33.817%0.16818%0.18CC..EExtended strand (participates in β ladder)trans-143.4117.9175.9-173.40000108.6A142 V178 W180S133-A142 PolarHBondContact N-O 3.43Å; S133-A142 PolarHBondContact O-N 2.8Å; S133-V178 WeakPolarHBondContact CB-O 3.35Å; S133-V178 PolarHBondContact OG-O 3.35Å; S133-W180 PolarHBondContact O-NE1 2.84Å; S133-W180 VanDerWaalsContact OG-CD1 3.31Å
134F97.6Very high95.1Very high27 Ų2727.9 Ų27.912%0.11814%0.141CC..EExtended strand (participates in β ladder)trans-94.3144.1-178.6-71.5-93.8000110.9E84 F89 I140 L141 V160 W180E84-F134 HydrophobicContact CB-CB 4.16Å; E84-F134 HydrophobicContact CB-CD1 3.96Å; E84-F134 HydrophobicContact CB-CD2 4.28Å; E84-F134 HydrophobicContact CB-CE1 4.39Å; E84-F134 HydrophobicContact CB-CG 3.88Å; E84-F134 HydrophobicContact CG-CB 4.1Å; E84-F134 HydrophobicContact CG-CD1 4.1Å; E84-F134 HydrophobicContact CG-CD2 3.52Å; E84-F134 HydrophobicContact CG-CE1 4.39Å; E84-F134 HydrophobicContact CG-CE2 3.85Å; E84-F134 HydrophobicContact CG-CG 3.64Å; E84-F134 HydrophobicContact CG-CZ 4.27Å; F89-F134 HydrophobicContact CB-CE2 4.46Å; F89-F134 HydrophobicContact CB-CZ 4.15Å; F89-F134 HydrophobicContact CD1-CE1 4.03Å; F89-F134 AromaticContact CD1-CZ 3.56Å; F89-F134 HydrophobicContact CD1-CZ 3.56Å; F89-F134 AromaticContact CD2-CE1 3.93Å; F89-F134 HydrophobicContact CD2-CE1 3.93Å; F89-F134 HydrophobicContact CD2-CE2 4.38Å; F89-F134 AromaticContact CD2-CZ 3.72Å; F89-F134 HydrophobicContact CD2-CZ 3.72Å; F89-F134 AromaticContact CE1-CE1 3.76Å; F89-F134 HydrophobicContact CE1-CE1 3.76Å; F89-F134 AromaticContact CE1-CZ 3.79Å; F89-F134 HydrophobicContact CE1-CZ 3.79Å; F89-F134 HydrophobicContact CE2-CD1 4.4Å; F89-F134 AromaticContact CE2-CE1 3.68Å; F89-F134 HydrophobicContact CE2-CE1 3.68Å; F89-F134 AromaticContact CE2-CZ 3.96Å; F89-F134 HydrophobicContact CE2-CZ 3.96Å; F89-F134 HydrophobicContact CG-CE1 4.1Å; F89-F134 HydrophobicContact CG-CE2 4.23Å; F89-F134 AromaticContact CG-CZ 3.51Å; F89-F134 HydrophobicContact CG-CZ 3.51Å; F89-F134 AromaticContact CZ-CE1 3.58Å; F89-F134 HydrophobicContact CZ-CE1 3.58Å; F89-F134 AromaticContact CZ-CZ 3.98Å; F89-F134 HydrophobicContact CZ-CZ 3.98Å; F134-I140 CarbonylContact C-O 3.55Å; F134-I140 WeakPolarHBondContact CA-O 3.49Å; F134-L141 HydrophobicContact CD1-CB 4.08Å; F134-L141 HydrophobicContact CD1-CD1 4.18Å; F134-L141 HydrophobicContact CD2-CD1 3.99Å; F134-L141 HydrophobicContact CE1-CB 3.89Å; F134-L141 HydrophobicContact CE1-CD1 3.97Å; F134-L141 HydrophobicContact CE1-CD2 4.49Å; F134-L141 HydrophobicContact CE1-CG 4.32Å; F134-L141 HydrophobicContact CE2-CD1 3.77Å; F134-L141 HydrophobicContact CG-CD1 4.2Å; F134-L141 HydrophobicContact CZ-CB 4.45Å; F134-L141 HydrophobicContact CZ-CD1 3.76Å; F134-L141 HydrophobicContact CZ-CD2 4.33Å; F134-L141 HydrophobicContact CZ-CG 4.39Å; F134-V160 HydrophobicContact CD1-CG2 4.33Å; F134-V160 HydrophobicContact CE1-CG2 4.16Å; F134-W180 VanDerWaalsContact C-NE1 3.31Å
135S97.2Very high95.4Very high1 Ų125.8 Ų25.81%0.00713%0.13CC..  trans-56.6155.5166.663.50000110D137 G138 S139 I140S135-D137 WeakPolarHBondContact CB-OD1 3.5Å; S135-D137 PolarHBondContact O-N 2.94Å; S135-D137 VanDerWaalsContact O-N 3.12Å; S135-D137 PolarHBondContact OG-OD1 3.44Å; S135-G138 WeakPolarHBondContact O-CA 3.39Å; S135-G138 PolarHBondContact O-N 3.32Å; S135-S139 PolarHBondContact OG-N 2.89Å; S135-S139 VanDerWaalsContact OG-N 3.1Å; S135-I140 PolarHBondContact N-O 3.21Å; S135-I140 PolarHBondContact OG-N 3.4Å; S135-I140 PolarHBondContact OG-O 2.97Å
136R93.4Very high95.5Very high104 Ų10425.8 Ų25.839%0.39213%0.13SC..THydrogen-bonded Turntrans-55.5-36.5-174.1-172.7176.6-174.2172.15.8113.4G138 E244 D245R136-G138 VanDerWaalsContact C-N 3.33Å; R136-E244 PolarHBondContact NH2-O 3.18Å; R136-D245 PolarHBondContact NH1-O 3.09Å; R136-D245 PolarHBondContact NH2-O 3.23Å
137D94.3Very high95.6Very high97 Ų9730 Ų3052%0.51915%0.149SC..THydrogen-bonded Turntrans-84.5-4.3177.668.2-17.2000113.9G85 S135 S139G85-D137 VanDerWaalsContact CA-O 3.22Å; G85-D137 WeakPolarHBondContact CA-O 3.23Å; S135-D137 WeakPolarHBondContact CB-OD1 3.5Å; S135-D137 PolarHBondContact O-N 2.94Å; S135-D137 VanDerWaalsContact O-N 3.12Å; S135-D137 PolarHBondContact OG-OD1 3.44Å; D137-S139 VanDerWaalsContact C-N 3.29Å; D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 PolarHBondContact OD1-N 2.99Å; D137-S139 VanDerWaalsContact OD1-N 3.09Å; D137-S139 PolarHBondContact OD1-OG 3Å; D137-S139 VanDerWaalsContact OD2-CB 3.31Å; D137-S139 WeakPolarHBondContact OD2-CB 3.47Å; D137-S139 PolarHBondContact OD2-OG 3.16Å
138G96.1Very high95.3Very high6 Ų631.1 Ų31.16%0.06216%0.155CC..SBendtrans71.715.6-177.800000114.6S135 R136 V160S135-G138 WeakPolarHBondContact O-CA 3.39Å; S135-G138 PolarHBondContact O-N 3.32Å; R136-G138 VanDerWaalsContact C-N 3.33Å; G138-V160 VanDerWaalsContact O-CG2 3.27Å; G138-V160 WeakPolarHBondContact O-CG2 3.36Å
139S96.9Very high94.9Very high39 Ų3931.5 Ų31.527%0.27316%0.159SC..SBendtrans-84.6-22.6-17766.90000114.1S135 D137 V160S135-S139 PolarHBondContact OG-N 2.89Å; S135-S139 VanDerWaalsContact OG-N 3.1Å; D137-S139 VanDerWaalsContact C-N 3.29Å; D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 PolarHBondContact OD1-N 2.99Å; D137-S139 VanDerWaalsContact OD1-N 3.09Å; D137-S139 PolarHBondContact OD1-OG 3Å; D137-S139 VanDerWaalsContact OD2-CB 3.31Å; D137-S139 WeakPolarHBondContact OD2-CB 3.47Å; D137-S139 PolarHBondContact OD2-OG 3.16Å; S139-V160 PolarHBondContact O-N 3.42Å
140I98Very high94.4Very high16 Ų1631.8 Ų31.88%0.08216%0.162CC..EExtended strand (participates in β ladder)trans-130.7134.6180-43.9-179.4000110F134 S135 F157 M159 L166 W180 L217F134-I140 CarbonylContact C-O 3.55Å; F134-I140 WeakPolarHBondContact CA-O 3.49Å; S135-I140 PolarHBondContact N-O 3.21Å; S135-I140 PolarHBondContact OG-N 3.4Å; S135-I140 PolarHBondContact OG-O 2.97Å; I140-F157 HydrophobicContact CG2-CB 4.26Å; I140-M159 HydrophobicContact CD1-SD 4.13Å; I140-M159 HydrophobicContact CG1-CE 4.44Å; I140-M159 HydrophobicContact CG1-SD 3.83Å; I140-L166 HydrophobicContact CG2-CD1 4.26Å; I140-W180 HydrophobicContact CB-CH2 3.68Å; I140-W180 HydrophobicContact CB-CZ2 3.95Å; I140-W180 HydrophobicContact CB-CZ3 4.48Å; I140-W180 HydrophobicContact CD1-CH2 4.15Å; I140-W180 HydrophobicContact CD1-CZ3 4.38Å; I140-W180 HydrophobicContact CG1-CH2 4.47Å; I140-W180 HydrophobicContact CG2-CH2 3.57Å; I140-W180 HydrophobicContact CG2-CZ2 3.84Å; I140-L217 HydrophobicContact CD1-CD1 3.86Å
141L98.3Very high94.1Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-104.2122.7170.2170.563.4000109.8L102 F115 L132 F134 Y143 F157 K158L102-L141 HydrophobicContact CD2-CD2 3.93Å; F115-L141 HydrophobicContact CD1-CD2 4.22Å; F115-L141 HydrophobicContact CE1-CB 4.36Å; F115-L141 HydrophobicContact CE1-CD2 3.66Å; L132-L141 HydrophobicContact CB-CD1 4.14Å; L132-L141 HydrophobicContact CD2-CD1 3.85Å; L132-L141 HydrophobicContact CD2-CD2 3.93Å; L132-L141 HydrophobicContact CD2-CG 4.42Å; F134-L141 HydrophobicContact CD1-CB 4.08Å; F134-L141 HydrophobicContact CD1-CD1 4.18Å; F134-L141 HydrophobicContact CD2-CD1 3.99Å; F134-L141 HydrophobicContact CE1-CB 3.89Å; F134-L141 HydrophobicContact CE1-CD1 3.97Å; F134-L141 HydrophobicContact CE1-CD2 4.49Å; F134-L141 HydrophobicContact CE1-CG 4.32Å; F134-L141 HydrophobicContact CE2-CD1 3.77Å; F134-L141 HydrophobicContact CG-CD1 4.2Å; F134-L141 HydrophobicContact CZ-CB 4.45Å; F134-L141 HydrophobicContact CZ-CD1 3.76Å; F134-L141 HydrophobicContact CZ-CD2 4.33Å; F134-L141 HydrophobicContact CZ-CG 4.39Å; L141-Y143 HydrophobicContact CD2-CD1 4.33Å; L141-Y143 HydrophobicContact CG-CD1 4.33Å; L141-F157 CarbonylContact O-C 3.53Å; L141-F157 VanDerWaalsContact O-CA 3.3Å; L141-F157 WeakPolarHBondContact O-CA 3.23Å; L141-K158 PolarHBondContact N-O 3.2Å; L141-K158 PolarHBondContact O-N 3.13Å
142A98.5Very high93.7Very high0 Ų028.9 Ų28.90%015%0.152CC..EExtended strand (participates in β ladder)trans-85.3120.415700000108.6L132 S133 V155 Q156 F157 V178 W180L132-A142 WeakPolarHBondContact CA-O 3.4Å; S133-A142 PolarHBondContact N-O 3.43Å; S133-A142 PolarHBondContact O-N 2.8Å; A142-V155 HydrophobicContact CB-CG1 4.12Å; A142-Q156 CarbonylContact C-O 3.58Å; A142-Q156 WeakPolarHBondContact CA-O 3.27Å; A142-F157 HydrophobicContact CB-CD1 3.8Å; A142-F157 HydrophobicContact CB-CE1 3.65Å; A142-F157 HydrophobicContact CB-CZ 4.46Å; A142-V178 HydrophobicContact CB-CG1 4.06Å; A142-W180 HydrophobicContact CB-CZ2 4.01Å
143Y97.7Very high93.4Very high7 Ų726.8 Ų26.83%0.02714%0.142CC..EExtended strand (participates in β ladder)trans-126133.217967.9-84.1000111.2L116 L131 L141 M145 V155 Q156 K158L116-Y143 HydrophobicContact CD1-CD2 4.11Å; L116-Y143 HydrophobicContact CD1-CE2 4Å; L116-Y143 HydrophobicContact CD2-CD2 3.8Å; L116-Y143 HydrophobicContact CD2-CG 3.87Å; L131-Y143 CarbonylContact O-C 3.58Å; L131-Y143 VanDerWaalsContact O-CA 3.29Å; L131-Y143 WeakPolarHBondContact O-CA 3.41Å; L141-Y143 HydrophobicContact CD2-CD1 4.33Å; L141-Y143 HydrophobicContact CG-CD1 4.33Å; Y143-M145 HydrophobicContact CD2-CE 3.74Å; Y143-M145 HydrophobicContact CD2-CG 4.14Å; Y143-M145 HydrophobicContact CD2-SD 4.45Å; Y143-M145 HydrophobicContact CE2-CE 3.88Å; Y143-M145 HydrophobicContact CE2-CG 4.21Å; Y143-V155 WeakPolarHBondContact O-CA 3.42Å; Y143-Q156 HydrophobicContact CD1-CB 4.47Å; Y143-Q156 WeakPolarHBondContact CD1-O 3.21Å; Y143-Q156 HydrophobicContact CE1-CB 3.77Å; Y143-Q156 HydrophobicContact CE2-CB 4.09Å; Y143-Q156 PolarHBondContact N-O 3Å; Y143-Q156 PolarHBondContact O-N 3.22Å; Y143-Q156 PolarHBondContact OH-OE1 2.96Å; Y143-K158 HydrophobicContact CD1-CB 4.15Å; Y143-K158 HydrophobicContact CE1-CB 3.79Å
144G96.4Very high93.3Very high0 Ų028.2 Ų28.20%015%0.147CC..EExtended strand (participates in β ladder)trans-103.9136.1177.900000112.3N129 R130 L131 I153 N154N129-G144 WeakPolarHBondContact CA-O 3.49Å; N129-G144 PolarHBondContact ND2-O 2.9Å; R130-G144 PolarHBondContact N-O 3.11Å; L131-G144 PolarHBondContact N-O 3.1Å; L131-G144 PolarHBondContact O-N 3.32Å; G144-I153 VanDerWaalsContact CA-CG2 3.43Å; G144-N154 CarbonylContact C-O 3.58Å; G144-N154 WeakPolarHBondContact CA-O 3.43Å
145M94.9Very high93.3Very high15 Ų1527 Ų277%0.07414%0.142CC..EExtended strand (participates in β ladder)trans-116.6141174.9-62.7-60.4-167.500110.5L116 P118 L121 I127 A128 N129 Y143 I153 N154L116-M145 HydrophobicContact CD1-CE 3.77Å; L116-M145 HydrophobicContact CD2-CE 3.72Å; L116-M145 HydrophobicContact CG-CE 3.86Å; P118-M145 HydrophobicContact CG-CE 4.36Å; L121-M145 HydrophobicContact CD1-CE 3.82Å; I127-M145 HydrophobicContact CG2-CB 4.11Å; I127-M145 HydrophobicContact CG2-CG 4.34Å; I127-M145 HydrophobicContact CG2-SD 4.26Å; A128-M145 WeakPolarHBondContact O-CA 3.23Å; N129-M145 VanDerWaalsContact CA-SD 3.53Å; N129-M145 HydrophobicContact CB-CE 4.25Å; N129-M145 HydrophobicContact CB-SD 3.73Å; Y143-M145 HydrophobicContact CD2-CE 3.74Å; Y143-M145 HydrophobicContact CD2-CG 4.14Å; Y143-M145 HydrophobicContact CD2-SD 4.45Å; Y143-M145 HydrophobicContact CE2-CE 3.88Å; Y143-M145 HydrophobicContact CE2-CG 4.21Å; M145-I153 WeakPolarHBondContact O-CA 3.25Å; M145-N154 PolarHBondContact N-O 3.4Å; M145-N154 PolarHBondContact O-N 3.49Å
146S92.2Very high93.3Very high1 Ų129.5 Ų29.51%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-116147.6168.559.70000110.3I127 A128 R130 S150 V152I127-S146 WeakPolarHBondContact CA-O 3.2Å; A128-S146 PolarHBondContact N-O 2.79Å; A128-S146 PolarHBondContact O-N 2.88Å; R130-S146 VanDerWaalsContact CD-OG 3.31Å; R130-S146 WeakPolarHBondContact CD-OG 3.48Å; R130-S146 WeakPolarHBondContact CG-OG 3.47Å; S146-S150 WeakPolarHBondContact CB-O 3.33Å; S146-V152 WeakPolarHBondContact CA-O 3.25Å; S146-V152 VanDerWaalsContact CB-O 3.26Å; S146-V152 WeakPolarHBondContact CB-O 3.24Å
147E90.7Very high93.5Very high104 Ų10424.6 Ų24.649%0.48614%0.135SC..EExtended strand (participates in β ladder)trans-110.3145.3178.9-50.9-166.9171.500111.3T126 I127 G149 S150T126-E147 CarbonylContact O-C 3.5Å; I127-E147 HydrophobicContact CG1-CG 4.16Å; E147-G149 PolarHBondContact O-N 2.89Å; E147-S150 WeakPolarHBondContact O-CB 3.06Å; E147-S150 PolarHBondContact O-N 3.48Å
148N87.6Confident93.7Very high48 Ų4821.4 Ų21.426%0.25712%0.117SC..THydrogen-bonded Turntrans52.124.9173.7-58.2-58.8000115T126 T683 G684T126-N148 PolarHBondContact O-N 2.82Å; N148-T683 CarbonylContact O-C 3.47Å; N148-T683 VanDerWaalsContact O-CA 3.28Å; N148-T683 WeakPolarHBondContact O-CA 3.27Å; N148-T683 PolarHBondContact O-N 2.93Å; N148-G684 PolarHBondContact O-N 2.83Å
149G84.6Confident93.8Very high11 Ų1123.7 Ų23.711%0.11313%0.126CC..THydrogen-bonded Turntrans7811.2179.800000116E147 G684E147-G149 PolarHBondContact O-N 2.89Å; G149-G684 WeakPolarHBondContact O-CA 3.5Å
150S85.9Confident93.8Very high24 Ų2422 Ų2217%0.16811%0.114CC..  trans-63.8151.3172.8175.50000111.9S146 E147 V152 D647S146-S150 WeakPolarHBondContact CB-O 3.33Å; E147-S150 WeakPolarHBondContact O-CB 3.06Å; E147-S150 PolarHBondContact O-N 3.48Å; S150-V152 WeakPolarHBondContact OG-CB 3.41Å; S150-V152 WeakPolarHBondContact OG-CG2 3.26Å; S150-V152 PolarHBondContact OG-N 3.03Å; S150-D647 WeakPolarHBondContact CA-OD2 3.37Å; S150-D647 WeakPolarHBondContact CB-OD2 3.19Å; S150-D647 PolarHBondContact OG-OD2 3.5Å
151D84.8Confident93.7Very high7 Ų727.9 Ų27.94%0.03714%0.141CC..SBendtrans-73.6-12168.7-87.8-29.1000113.1R130 L174 Y175 D647 R648R130-D151 IonicContact NH2-OD1 3.85Å; R130-D151 PolarHBondContact NH2-OD1 3.35Å; D151-L174 HydrophobicContact CB-CD2 3.93Å; D151-Y175 HydrophobicContact CB-CE1 4.21Å; D151-Y175 WeakPolarHBondContact OD2-CE1 3.34Å; D151-Y175 PolarHBondContact OD2-OH 2.94Å; D151-D647 PolarHBondContact N-OD1 2.82Å; D151-D647 VanDerWaalsContact N-OD1 3.08Å; D151-D647 PolarHBondContact N-OD2 2.72Å; D151-R648 VanDerWaalsContact CG-NH2 3.34Å; D151-R648 IonicContact OD1-NH2 2.87Å; D151-R648 PolarHBondContact OD1-NH2 3.4Å; D151-R648 VanDerWaalsContact OD1-NH2 3.12Å; D151-R648 IonicContact OD2-CZ 3.4Å; D151-R648 IonicContact OD2-NE 3.79Å; D151-R648 PolarHBondContact OD2-NE 3.14Å; D151-R648 IonicContact OD2-NH2 3.25Å; D151-R648 PolarHBondContact OD2-NH2 3.05Å
152V87.8Confident93.5Very high18 Ų1833.3 Ų33.311%0.10917%0.17CC..EExtended strand (participates in β ladder)trans-68.3133.8174.9-1790000110.4S146 S150 L173 L174S146-V152 WeakPolarHBondContact CA-O 3.25Å; S146-V152 VanDerWaalsContact CB-O 3.26Å; S146-V152 WeakPolarHBondContact CB-O 3.24Å; S150-V152 WeakPolarHBondContact OG-CB 3.41Å; S150-V152 WeakPolarHBondContact OG-CG2 3.26Å; S150-V152 PolarHBondContact OG-N 3.03Å; V152-L173 WeakPolarHBondContact CA-O 3.46Å; V152-L174 HydrophobicContact CB-CD2 4.4Å; V152-L174 HydrophobicContact CG2-CD1 4.44Å; V152-L174 HydrophobicContact CG2-CD2 3.66Å; V152-L174 HydrophobicContact CG2-CG 3.96Å
153I91.2Very high93.3Very high14 Ų1434.5 Ų34.57%0.07218%0.183CC..EExtended strand (participates in β ladder)trans-121.4132.5179.6-60.4175.7000109.4R130 G144 M145 V155 L173 T176R130-I153 HydrophobicContact CB-CD1 3.6Å; R130-I153 HydrophobicContact CB-CG1 3.94Å; R130-I153 HydrophobicContact CG-CD1 4.36Å; R130-I153 HydrophobicContact CG-CG1 4.27Å; G144-I153 VanDerWaalsContact CA-CG2 3.43Å; M145-I153 WeakPolarHBondContact O-CA 3.25Å; I153-V155 HydrophobicContact CG2-CG2 3.96Å; I153-L173 PolarHBondContact N-O 3.29Å; I153-L173 VanDerWaalsContact O-CB 3.28Å; I153-L173 WeakPolarHBondContact O-CB 3.41Å; I153-L173 PolarHBondContact O-N 3.08Å; I153-T176 HydrophobicContact CB-CG2 4.41Å; I153-T176 HydrophobicContact CD1-CG2 4.31Å
154N94.5Very high93.2Very high53 Ų5340.4 Ų40.428%0.28321%0.209SC..EExtended strand (participates in β ladder)trans-106.7125.3166.2-62.3-48.1000108.9G144 M145 L170 E171 N172G144-N154 CarbonylContact C-O 3.58Å; G144-N154 WeakPolarHBondContact CA-O 3.43Å; M145-N154 PolarHBondContact N-O 3.4Å; M145-N154 PolarHBondContact O-N 3.49Å; N154-L170 CarbonylContact C-O 3.42Å; N154-L170 WeakPolarHBondContact CA-O 3.19Å; N154-E171 WeakPolarHBondContact OD1-CA 3.47Å; N154-N172 PolarHBondContact OD1-N 3.14Å
155V97.5Very high93.3Very high1 Ų144.4 Ų44.41%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-102.7136-176.8176.60000110.7L131 A142 Y143 I153 F157 K169 L170 L173 V178L131-V155 HydrophobicContact CD2-CG2 4.38Å; A142-V155 HydrophobicContact CB-CG1 4.12Å; Y143-V155 WeakPolarHBondContact O-CA 3.42Å; I153-V155 HydrophobicContact CG2-CG2 3.96Å; V155-F157 HydrophobicContact CG1-CE2 4.44Å; V155-F157 HydrophobicContact CG1-CZ 4.39Å; V155-K169 WeakPolarHBondContact O-CA 3.38Å; V155-L170 HydrophobicContact CB-CB 4.19Å; V155-L170 HydrophobicContact CB-CD1 4.5Å; V155-L170 PolarHBondContact N-O 2.81Å; V155-L170 PolarHBondContact O-N 3.04Å; V155-L173 HydrophobicContact CB-CD1 4.33Å; V155-L173 HydrophobicContact CG2-CD1 3.76Å; V155-V178 HydrophobicContact CG2-CG2 4.49Å
156Q97.5Very high93.4Very high55 Ų5545.3 Ų45.326%0.25723%0.234SC..EExtended strand (participates in β ladder)trans-128.4165.6172-61.1-172.2-79.400110.2A142 Y143A142-Q156 CarbonylContact C-O 3.58Å; A142-Q156 WeakPolarHBondContact CA-O 3.27Å; Y143-Q156 HydrophobicContact CD1-CB 4.47Å; Y143-Q156 WeakPolarHBondContact CD1-O 3.21Å; Y143-Q156 HydrophobicContact CE1-CB 3.77Å; Y143-Q156 HydrophobicContact CE2-CB 4.09Å; Y143-Q156 PolarHBondContact N-O 3Å; Y143-Q156 PolarHBondContact O-N 3.22Å; Y143-Q156 PolarHBondContact OH-OE1 2.96Å
157F98.4Very high93.6Very high0 Ų054.3 Ų54.30%028%0.276CS..EExtended strand (participates in β ladder)trans-118.4137-178-58.8-96.6000111I140 L141 A142 V155 I165 L166 D168 L170 W180 V187 H215 L217I140-F157 HydrophobicContact CG2-CB 4.26Å; L141-F157 CarbonylContact O-C 3.53Å; L141-F157 VanDerWaalsContact O-CA 3.3Å; L141-F157 WeakPolarHBondContact O-CA 3.23Å; A142-F157 HydrophobicContact CB-CD1 3.8Å; A142-F157 HydrophobicContact CB-CE1 3.65Å; A142-F157 HydrophobicContact CB-CZ 4.46Å; V155-F157 HydrophobicContact CG1-CE2 4.44Å; V155-F157 HydrophobicContact CG1-CZ 4.39Å; F157-I165 CarbonylContact O-C 3.57Å; F157-I165 WeakPolarHBondContact O-CA 3.1Å; F157-L166 HydrophobicContact CB-CB 4.08Å; F157-L166 HydrophobicContact CB-CD1 3.84Å; F157-L166 HydrophobicContact CB-CG 4.12Å; F157-L166 PolarHBondContact O-N 2.7Å; F157-D168 HydrophobicContact CD2-CB 3.55Å; F157-D168 HydrophobicContact CE2-CB 3.9Å; F157-D168 HydrophobicContact CG-CB 4.45Å; F157-L170 HydrophobicContact CE2-CD1 4.42Å; F157-L170 HydrophobicContact CE2-CG 4.3Å; F157-L170 HydrophobicContact CZ-CD1 4.16Å; F157-W180 AromaticContact CD1-CH2 3.75Å; F157-W180 HydrophobicContact CD1-CH2 3.75Å; F157-W180 AromaticContact CD1-CZ2 3.74Å; F157-W180 HydrophobicContact CD1-CZ2 3.74Å; F157-W180 AromaticContact CE1-CH2 4Å; F157-W180 HydrophobicContact CE1-CH2 4Å; F157-W180 AromaticContact CE1-CZ2 3.94Å; F157-W180 HydrophobicContact CE1-CZ2 3.94Å; F157-V187 HydrophobicContact CE1-CG1 3.91Å; F157-V187 HydrophobicContact CE1-CG2 4.08Å; F157-V187 HydrophobicContact CZ-CG2 3.84Å; F157-H215 AromaticContact CZ-CD2 3.96Å; F157-L217 HydrophobicContact CD1-CD2 3.85Å; F157-L217 HydrophobicContact CD2-CD2 4.19Å; F157-L217 HydrophobicContact CE1-CD2 3.99Å; F157-L217 HydrophobicContact CE2-CD2 4.32Å; F157-L217 HydrophobicContact CG-CD2 3.95Å; F157-L217 HydrophobicContact CZ-CD2 4.22Å
158K97.9Very high94Very high31 Ų3149.9 Ų49.914%0.13526%0.256CS..EExtended strand (participates in β ladder)trans-134.1127.3-177.8-177.2172.8-176.9173.10111F115 L141 Y143 G163 K164 I165F115-K158 HydrophobicContact CE1-CD 4.19Å; F115-K158 HydrophobicContact CE2-CD 4.47Å; F115-K158 HydrophobicContact CZ-CD 3.93Å; F115-K158 HydrophobicContact CZ-CG 4.08Å; F115-K158 PolarHBondContact O-NZ 3.41Å; L141-K158 PolarHBondContact N-O 3.2Å; L141-K158 PolarHBondContact O-N 3.13Å; Y143-K158 HydrophobicContact CD1-CB 4.15Å; Y143-K158 HydrophobicContact CE1-CB 3.79Å; K158-G163 VanDerWaalsContact CE-CA 3.47Å; K158-G163 WeakPolarHBondContact CE-O 3.32Å; K158-K164 CarbonylContact C-O 3.58Å; K158-K164 WeakPolarHBondContact CA-O 3.41Å; K158-I165 HydrophobicContact CG-CG1 4.48Å
159M97.9Very high94.4Very high53 Ų5352.7 Ų52.726%0.26127%0.266SS..EExtended strand (participates in β ladder)trans-65.9133.8170.6-62.9-59.3-66.600109.8I140 D162 G163 K164 L166I140-M159 HydrophobicContact CD1-SD 4.13Å; I140-M159 HydrophobicContact CG1-CE 4.44Å; I140-M159 HydrophobicContact CG1-SD 3.83Å; M159-D162 VanDerWaalsContact CB-OD1 3.23Å; M159-D162 WeakPolarHBondContact CB-OD1 3.32Å; M159-G163 WeakPolarHBondContact O-CA 3.43Å; M159-G163 PolarHBondContact O-N 3.44Å; M159-G163 VanDerWaalsContact O-N 3.11Å; M159-K164 HydrophobicContact CB-CB 4.28Å; M159-K164 HydrophobicContact CG-CB 4.26Å; M159-K164 PolarHBondContact N-O 2.87Å; M159-L166 HydrophobicContact CG-CD2 3.83Å; M159-L166 HydrophobicContact SD-CD1 4.39Å; M159-L166 HydrophobicContact SD-CD2 4.05Å
160V97.6Very high95Very high3 Ų352.1 Ų52.12%0.01826%0.26CS..THydrogen-bonded Turntrans-77.9-32.8-178.1177.60000112F89 M104 F115 F134 G138 S139F89-V160 HydrophobicContact CE1-CG1 4.48Å; F89-V160 HydrophobicContact CZ-CG1 3.67Å; F89-V160 HydrophobicContact CZ-CG2 4.39Å; M104-V160 HydrophobicContact SD-CG1 3.79Å; F115-V160 HydrophobicContact CE2-CG1 4.48Å; F115-V160 HydrophobicContact CZ-CB 4.32Å; F115-V160 HydrophobicContact CZ-CG1 4.45Å; F115-V160 HydrophobicContact CZ-CG2 4.03Å; F134-V160 HydrophobicContact CD1-CG2 4.33Å; F134-V160 HydrophobicContact CE1-CG2 4.16Å; G138-V160 VanDerWaalsContact O-CG2 3.27Å; G138-V160 WeakPolarHBondContact O-CG2 3.36Å; S139-V160 PolarHBondContact O-N 3.42Å
161E95.4Very high95.3Very high141 Ų14155.4 Ų55.466%0.65927%0.273SS*.THydrogen-bonded Turntrans-66.8-49.5-174.5-168.564.2-167.900113.5R87R87-E161 IonicContact CZ-OE2 2.91Å; R87-E161 VanDerWaalsContact CZ-OE2 3.29Å; R87-E161 IonicContact NH1-OE2 2.58Å; R87-E161 PolarHBondContact NH1-OE2 3.04Å; R87-E161 IonicContact NH2-OE1 2.68Å; R87-E161 IonicContact NH2-OE2 3.69Å; R87-E161 PolarHBondContact NH2-OE2 2.84Å
162D94.1Very high95.4Very high113 Ų11358.9 Ų58.960%0.60429%0.291SS*.THydrogen-bonded Turntrans-115.3-3.8-174.564.4-1.1000113.2M159 K164M159-D162 VanDerWaalsContact CB-OD1 3.23Å; M159-D162 WeakPolarHBondContact CB-OD1 3.32Å; D162-K164 PolarHBondContact O-N 3.49Å; D162-K164 WeakPolarHBondContact OD1-CB 3.48Å; D162-K164 PolarHBondContact OD1-N 3.01Å
163G94.3Very high95.6Very high26 Ų2658 Ų5827%0.26829%0.286SS..  trans72.312.3-176.700000114.3K158 M159 I165K158-G163 VanDerWaalsContact CE-CA 3.47Å; K158-G163 WeakPolarHBondContact CE-O 3.32Å; M159-G163 WeakPolarHBondContact O-CA 3.43Å; M159-G163 PolarHBondContact O-N 3.44Å; M159-G163 VanDerWaalsContact O-N 3.11Å; G163-I165 PolarHBondContact O-N 3.27Å
164K96.8Very high95.4Very high130 Ų13058.6 Ų58.657%0.56529%0.289SS*.PPolyproline II helixtrans-65.1126.4179.1-177.4-176.9176.3-171.80110.8K158 M159 D162K158-K164 CarbonylContact C-O 3.58Å; K158-K164 WeakPolarHBondContact CA-O 3.41Å; M159-K164 HydrophobicContact CB-CB 4.28Å; M159-K164 HydrophobicContact CG-CB 4.26Å; M159-K164 PolarHBondContact N-O 2.87Å; D162-K164 PolarHBondContact O-N 3.49Å; D162-K164 WeakPolarHBondContact OD1-CB 3.48Å; D162-K164 PolarHBondContact OD1-N 3.01Å
165I97.1Very high95Very high85 Ų8558.5 Ų58.544%0.43629%0.285SS..EExtended strand (participates in β ladder)trans-79.7130.3170.2-59.6173.4000108.2F157 K158 G163F157-I165 CarbonylContact O-C 3.57Å; F157-I165 WeakPolarHBondContact O-CA 3.1Å; K158-I165 HydrophobicContact CG-CG1 4.48Å; G163-I165 PolarHBondContact O-N 3.27Å
166L97.8Very high94.8Very high34 Ų3459.2 Ų59.218%0.17829%0.29CS..EExtended strand (participates in β ladder)trans-78.9164.1176.5-53.8-176.6000110.8I140 F157 M159 D168 L217I140-L166 HydrophobicContact CG2-CD1 4.26Å; F157-L166 HydrophobicContact CB-CB 4.08Å; F157-L166 HydrophobicContact CB-CD1 3.84Å; F157-L166 HydrophobicContact CB-CG 4.12Å; F157-L166 PolarHBondContact O-N 2.7Å; M159-L166 HydrophobicContact CG-CD2 3.83Å; M159-L166 HydrophobicContact SD-CD1 4.39Å; M159-L166 HydrophobicContact SD-CD2 4.05Å; L166-D168 VanDerWaalsContact C-N 3.27Å; L166-D168 PolarHBondContact O-N 3.28Å; L166-L217 HydrophobicContact CD1-CD1 4.43Å; L166-L217 HydrophobicContact CD1-CD2 4.49Å
167E97.3Very high94.8Very high190 Ų19058.2 Ų58.289%0.88829%0.287SS*.EExtended strand (participates in β ladder)trans-72.7-23.6-178.6-65.5-176.1178.200112.8
168D98.2Very high94.8Very high11 Ų1158.9 Ų58.96%0.05929%0.292CS..EExtended strand (participates in β ladder)trans-59.6133.7-178.8-57-91.2000112.7F157 L166 H215 L217 G218 T219F157-D168 HydrophobicContact CD2-CB 3.55Å; F157-D168 HydrophobicContact CE2-CB 3.9Å; F157-D168 HydrophobicContact CG-CB 4.45Å; L166-D168 VanDerWaalsContact C-N 3.27Å; L166-D168 PolarHBondContact O-N 3.28Å; D168-H215 IonicContact OD1-CE1 2.69Å; D168-H215 IonicContact OD1-NE2 3.28Å; D168-H215 PolarHBondContact OD1-NE2 3.48Å; D168-H215 VanDerWaalsContact OD1-NE2 3.17Å; D168-L217 HydrophobicContact CB-CD2 4.24Å; D168-L217 WeakPolarHBondContact OD1-CA 3.23Å; D168-G218 WeakPolarHBondContact OD1-CA 3.47Å; D168-G218 PolarHBondContact OD1-N 3.33Å; D168-G218 PolarHBondContact OD2-N 2.81Å; D168-T219 PolarHBondContact OD1-N 3.33Å
169K96.7Very high94.8Very high106 Ų10657.9 Ų57.946%0.46129%0.289SS..EExtended strand (participates in β ladder)trans-141.1136.5176.8-63.1-177.5-178.1-178.10109.8V155 E171V155-K169 WeakPolarHBondContact O-CA 3.38Å; K169-E171 HydrophobicContact CB-CG 4.45Å
170L96.1Very high94.8Very high0 Ų056.1 Ų56.10%028%0.279CS..EExtended strand (participates in β ladder)trans-116.7116.6168.8-50175.4000107.9N154 V155 F157 L173 V187 Y189 H215 Q221N154-L170 CarbonylContact C-O 3.42Å; N154-L170 WeakPolarHBondContact CA-O 3.19Å; V155-L170 HydrophobicContact CB-CB 4.19Å; V155-L170 HydrophobicContact CB-CD1 4.5Å; V155-L170 PolarHBondContact N-O 2.81Å; V155-L170 PolarHBondContact O-N 3.04Å; F157-L170 HydrophobicContact CE2-CD1 4.42Å; F157-L170 HydrophobicContact CE2-CG 4.3Å; F157-L170 HydrophobicContact CZ-CD1 4.16Å; L170-L173 HydrophobicContact CB-CD1 3.8Å; L170-L173 HydrophobicContact CB-CD2 4.37Å; L170-L173 HydrophobicContact CB-CG 4.36Å; L170-L173 HydrophobicContact CD1-CD1 4.49Å; L170-V187 HydrophobicContact CD1-CG2 4.26Å; L170-Y189 HydrophobicContact CD1-CD1 3.97Å; L170-Y189 HydrophobicContact CD1-CD2 4.2Å; L170-Y189 HydrophobicContact CD1-CE1 4.14Å; L170-Y189 HydrophobicContact CD1-CE2 4.36Å; L170-Y189 HydrophobicContact CD1-CG 3.98Å; L170-Y189 HydrophobicContact CD2-CE1 4.19Å; L170-H215 HydrophobicContact CD2-CB 4.03Å; L170-Q221 HydrophobicContact CD2-CB 4.24Å; L170-Q221 HydrophobicContact CD2-CG 3.92Å
171E93Very high94.7Very high92 Ų9256.2 Ų56.243%0.4328%0.279SS..EExtended strand (participates in β ladder)trans-109.5157.6-171.7-62.4-179.4148.300111.3N154 K169 L173 Q221N154-E171 WeakPolarHBondContact OD1-CA 3.47Å; K169-E171 HydrophobicContact CB-CG 4.45Å; E171-L173 WeakPolarHBondContact O-CD2 3.48Å; E171-L173 PolarHBondContact O-N 3.24Å; E171-Q221 PolarHBondContact O-NE2 3.14Å
172N87.3Confident94.5Very high80 Ų8050.4 Ų50.443%0.42825%0.254SS..EExtended strand (participates in β ladder)trans59.838.8173.8-54.9-44.9000114.6N154N154-N172 PolarHBondContact OD1-N 3.14Å
173L90.6Very high94.4Very high0 Ų051.1 Ų51.10%025%0.252CS..EExtended strand (participates in β ladder)trans-88.1124.3-178.9-47.3-175.1000110.8V152 I153 V155 L170 E171 T176 Y189 M191V152-L173 WeakPolarHBondContact CA-O 3.46Å; I153-L173 PolarHBondContact N-O 3.29Å; I153-L173 VanDerWaalsContact O-CB 3.28Å; I153-L173 WeakPolarHBondContact O-CB 3.41Å; I153-L173 PolarHBondContact O-N 3.08Å; V155-L173 HydrophobicContact CB-CD1 4.33Å; V155-L173 HydrophobicContact CG2-CD1 3.76Å; L170-L173 HydrophobicContact CB-CD1 3.8Å; L170-L173 HydrophobicContact CB-CD2 4.37Å; L170-L173 HydrophobicContact CB-CG 4.36Å; L170-L173 HydrophobicContact CD1-CD1 4.49Å; E171-L173 WeakPolarHBondContact O-CD2 3.48Å; E171-L173 PolarHBondContact O-N 3.24Å; L173-T176 HydrophobicContact CB-CG2 3.69Å; L173-T176 HydrophobicContact CD1-CG2 3.93Å; L173-Y189 HydrophobicContact CD1-CD2 4.09Å; L173-Y189 HydrophobicContact CD1-CE2 4.46Å; L173-Y189 HydrophobicContact CD2-CD2 3.96Å; L173-Y189 HydrophobicContact CD2-CE2 3.63Å; L173-M191 HydrophobicContact CD2-CB 3.9Å; L173-M191 HydrophobicContact CD2-SD 4.43Å
174L86.9Confident94.3Very high27 Ų2750.6 Ų50.614%0.14125%0.247CC..EExtended strand (participates in β ladder)trans-112.9134.1173.8-80.8165.3000109.4D151 V152 T176 Y192 H210D151-L174 HydrophobicContact CB-CD2 3.93Å; V152-L174 HydrophobicContact CB-CD2 4.4Å; V152-L174 HydrophobicContact CG2-CD1 4.44Å; V152-L174 HydrophobicContact CG2-CD2 3.66Å; V152-L174 HydrophobicContact CG2-CG 3.96Å; L174-T176 PolarHBondContact O-N 3.04Å; L174-T176 VanDerWaalsContact O-N 3.12Å; L174-Y192 HydrophobicContact CB-CD2 3.91Å; L174-Y192 HydrophobicContact CB-CE2 3.97Å; L174-H210 PolarHBondContact O-NE2 3.41Å
175Y87.3Confident94.2Very high51 Ų5148.6 Ų48.620%0.224%0.236CC..SBendtrans51.435.2-179.7-48.1-56.5000113.8D151 Y192 L237 I597D151-Y175 HydrophobicContact CB-CE1 4.21Å; D151-Y175 WeakPolarHBondContact OD2-CE1 3.34Å; D151-Y175 PolarHBondContact OD2-OH 2.94Å; Y175-Y192 AromaticContact CD2-CE2 3.97Å; Y175-Y192 HydrophobicContact CD2-CE2 3.97Å; Y175-L237 HydrophobicContact CD2-CD2 4.22Å; Y175-L237 HydrophobicContact CG-CD2 4.26Å; Y175-I597 HydrophobicContact CD2-CD1 4.01Å; Y175-I597 HydrophobicContact CD2-CG1 4.28Å; Y175-I597 HydrophobicContact CE2-CB 3.79Å; Y175-I597 HydrophobicContact CE2-CD1 3.54Å; Y175-I597 HydrophobicContact CE2-CG1 3.5Å; Y175-I597 VanDerWaalsContact CE2-CG1 3.5Å; Y175-I597 HydrophobicContact CE2-CG2 4.49Å; Y175-I597 WeakPolarHBondContact OH-CB 3.37Å; Y175-I597 VanDerWaalsContact OH-CG2 3.31Å; Y175-I597 WeakPolarHBondContact OH-CG2 3.29Å
176T93.4Very high94.3Very high15 Ų1544.6 Ų44.69%0.09222%0.215CC..  trans-76.9143.8-174.8-166.70000113.1L131 I153 L173 L174 T190L131-T176 HydrophobicContact CD1-CG2 4.06Å; I153-T176 HydrophobicContact CB-CG2 4.41Å; I153-T176 HydrophobicContact CD1-CG2 4.31Å; L173-T176 HydrophobicContact CB-CG2 3.69Å; L173-T176 HydrophobicContact CD1-CG2 3.93Å; L174-T176 PolarHBondContact O-N 3.04Å; L174-T176 VanDerWaalsContact O-N 3.12Å; T176-T190 WeakPolarHBondContact CA-OG1 3.44Å; T176-T190 WeakPolarHBondContact CB-O 3.28Å; T176-T190 PolarHBondContact OG1-O 3.16Å
177T96.5Very high94.3Very high34 Ų3443 Ų4321%0.20921%0.206CC..  trans-114.2149.1162.448.30000108.4Y189 T190 E239 V240T177-Y189 WeakPolarHBondContact O-CA 3.46Å; T177-Y189 WeakPolarHBondContact O-CB 3.43Å; T177-T190 PolarHBondContact N-OG1 2.98Å; T177-T190 PolarHBondContact O-N 2.8Å; T177-T190 PolarHBondContact OG1-OG1 3.43Å; T177-E239 HydrophobicContact CG2-CB 4Å; T177-E239 HydrophobicContact CG2-CG 3.96Å; T177-V240 PolarHBondContact OG1-N 3.35Å
178V98.1Very high94.3Very high15 Ų1533.9 Ų33.99%0.09116%0.164CC..EExtended strand (participates in β ladder)trans-130.9115.8-178.9175.80000109.1L131 S133 A142 V155 V187 F188L131-V178 HydrophobicContact CD1-CB 4.06Å; L131-V178 HydrophobicContact CD1-CG2 3.6Å; L131-V178 HydrophobicContact CD2-CB 4.16Å; L131-V178 HydrophobicContact CD2-CG2 4.01Å; L131-V178 HydrophobicContact CG-CG2 4.47Å; S133-V178 WeakPolarHBondContact CB-O 3.35Å; S133-V178 PolarHBondContact OG-O 3.35Å; A142-V178 HydrophobicContact CB-CG1 4.06Å; V155-V178 HydrophobicContact CG2-CG2 4.49Å; V178-V187 HydrophobicContact CG1-CB 3.88Å; V178-V187 HydrophobicContact CG1-CG1 3.91Å; V178-V187 HydrophobicContact CG1-CG2 4.11Å; V178-F188 CarbonylContact C-O 3.52Å; V178-F188 WeakPolarHBondContact CA-O 3.24Å
179A98.1Very high94.3Very high9 Ų933.4 Ų33.47%0.07416%0.161CC..EExtended strand (participates in β ladder)trans-120.2121.7-178.100000110.7V187 F188 V240 V242A179-V187 CarbonylContact O-C 3.56Å; A179-V187 WeakPolarHBondContact O-CA 3.46Å; A179-F188 HydrophobicContact CB-CB 4.46Å; A179-F188 PolarHBondContact N-O 2.98Å; A179-F188 PolarHBondContact O-N 3.41Å; A179-V240 HydrophobicContact CB-CG1 4.27Å; A179-V242 HydrophobicContact CB-CB 4.49Å; A179-V242 HydrophobicContact CB-CG2 3.96Å
180W97.7Very high94.3Very high16 Ų1628.4 Ų28.46%0.06114%0.14CC..EExtended strand (participates in β ladder)trans-71136179.8-78.990000112.3S133 F134 I140 A142 F157 V187 L217S133-W180 PolarHBondContact O-NE1 2.84Å; S133-W180 VanDerWaalsContact OG-CD1 3.31Å; F134-W180 VanDerWaalsContact C-NE1 3.31Å; I140-W180 HydrophobicContact CB-CH2 3.68Å; I140-W180 HydrophobicContact CB-CZ2 3.95Å; I140-W180 HydrophobicContact CB-CZ3 4.48Å; I140-W180 HydrophobicContact CD1-CH2 4.15Å; I140-W180 HydrophobicContact CD1-CZ3 4.38Å; I140-W180 HydrophobicContact CG1-CH2 4.47Å; I140-W180 HydrophobicContact CG2-CH2 3.57Å; I140-W180 HydrophobicContact CG2-CZ2 3.84Å; A142-W180 HydrophobicContact CB-CZ2 4.01Å; F157-W180 AromaticContact CD1-CH2 3.75Å; F157-W180 HydrophobicContact CD1-CH2 3.75Å; F157-W180 AromaticContact CD1-CZ2 3.74Å; F157-W180 HydrophobicContact CD1-CZ2 3.74Å; F157-W180 AromaticContact CE1-CH2 4Å; F157-W180 HydrophobicContact CE1-CH2 4Å; F157-W180 AromaticContact CE1-CZ2 3.94Å; F157-W180 HydrophobicContact CE1-CZ2 3.94Å; W180-V187 HydrophobicContact CD2-CG1 3.46Å; W180-V187 VanDerWaalsContact CD2-CG1 3.46Å; W180-V187 HydrophobicContact CE3-CG1 3.67Å; W180-V187 HydrophobicContact CG-CG1 3.91Å; W180-V187 HydrophobicContact CH2-CG1 4.2Å; W180-V187 HydrophobicContact CZ2-CG1 4.03Å; W180-V187 HydrophobicContact CZ3-CG1 4.04Å; W180-L217 HydrophobicContact CH2-CD1 4.06Å; W180-L217 HydrophobicContact CZ3-CD1 3.95Å
181E95.5Very high94.1Very high5 Ų529 Ų292%0.02314%0.143CC..  trans-64.5143.3164.7-175.5-83.4139.900110.1F183 G184 R185 G186 F188 Y214 P275E181-F183 VanDerWaalsContact CD-N 3.32Å; E181-F183 PolarHBondContact O-N 2.95Å; E181-F183 VanDerWaalsContact O-N 3.09Å; E181-F183 WeakPolarHBondContact OE1-CD2 3.49Å; E181-F183 PolarHBondContact OE1-N 3.08Å; E181-F183 VanDerWaalsContact OE1-N 3.14Å; E181-F183 WeakPolarHBondContact OE2-CB 3.36Å; E181-F183 PolarHBondContact OE2-N 3.49Å; E181-G184 PolarHBondContact O-N 3.18Å; E181-G184 PolarHBondContact OE2-N 3.3Å; E181-R185 IonicContact OE1-CZ 3.58Å; E181-R185 IonicContact OE1-NE 3.8Å; E181-R185 IonicContact OE1-NH2 2.79Å; E181-R185 PolarHBondContact OE1-NH2 3.11Å; E181-R185 IonicContact OE2-CZ 3.7Å; E181-R185 PolarHBondContact OE2-N 2.93Å; E181-R185 IonicContact OE2-NE 2.85Å; E181-R185 PolarHBondContact OE2-NE 3.26Å; E181-R185 VanDerWaalsContact OE2-NE 3.17Å; E181-R185 IonicContact OE2-NH2 2.9Å; E181-G186 WeakPolarHBondContact CB-O 3.43Å; E181-G186 PolarHBondContact N-O 3.25Å; E181-G186 VanDerWaalsContact N-O 3.1Å; E181-F188 HydrophobicContact CB-CE2 4.34Å; E181-Y214 HydrophobicContact CB-CE2 3.95Å; E181-Y214 HydrophobicContact CG-CE2 4.23Å; E181-P275 HydrophobicContact CG-CB 3.76Å; E181-P275 HydrophobicContact CG-CG 3.67Å
182P92.5Very high93.8Very high20 Ų2025.7 Ų25.713%0.1313%0.126CC..THydrogen-bonded Turntrans-58-30-169.3-26.532.1000115.9V242 G246 L268P182-V242 HydrophobicContact CG-CG1 4.36Å; P182-G246 WeakPolarHBondContact CG-O 3.42Å; P182-L268 HydrophobicContact CG-CD1 3.96Å
183F91.1Very high93.5Very high127 Ų12724.2 Ų24.256%0.55712%0.121SC*.THydrogen-bonded Turntrans-93.84179.3-58.3-66.4000113.6E181 R185 R272E181-F183 VanDerWaalsContact CD-N 3.32Å; E181-F183 PolarHBondContact O-N 2.95Å; E181-F183 VanDerWaalsContact O-N 3.09Å; E181-F183 WeakPolarHBondContact OE1-CD2 3.49Å; E181-F183 PolarHBondContact OE1-N 3.08Å; E181-F183 VanDerWaalsContact OE1-N 3.14Å; E181-F183 WeakPolarHBondContact OE2-CB 3.36Å; E181-F183 PolarHBondContact OE2-N 3.49Å; F183-R185 VanDerWaalsContact C-N 3.3Å; F183-R185 HydrophobicContact CB-CG 4.45Å; F183-R185 PolarHBondContact O-N 3.21Å; F183-R272 HydrophobicContact CE2-CG 4.47Å
184G93Very high92.4Very high15 Ų1529 Ų2916%0.15515%0.147CC..SBendtrans71.718.2173.900000114.8E181 G186E181-G184 PolarHBondContact O-N 3.18Å; E181-G184 PolarHBondContact OE2-N 3.3Å; G184-G186 VanDerWaalsContact C-N 3.32Å
185R95.1Very high90.9Very high89 Ų8932.3 Ų32.334%0.33616%0.164SC..SBendtrans-81.4-14.4-179.2-64.7169.8-67171.51.7113.5E181 F183 L217 R272E181-R185 IonicContact OE1-CZ 3.58Å; E181-R185 IonicContact OE1-NE 3.8Å; E181-R185 IonicContact OE1-NH2 2.79Å; E181-R185 PolarHBondContact OE1-NH2 3.11Å; E181-R185 IonicContact OE2-CZ 3.7Å; E181-R185 PolarHBondContact OE2-N 2.93Å; E181-R185 IonicContact OE2-NE 2.85Å; E181-R185 PolarHBondContact OE2-NE 3.26Å; E181-R185 VanDerWaalsContact OE2-NE 3.17Å; E181-R185 IonicContact OE2-NH2 2.9Å; F183-R185 VanDerWaalsContact C-N 3.3Å; F183-R185 HydrophobicContact CB-CG 4.45Å; F183-R185 PolarHBondContact O-N 3.21Å; R185-L217 PolarHBondContact O-N 2.05Å; R185-R272 VanDerWaalsContact CZ-O 3.22Å; R185-R272 PolarHBondContact NH1-O 3.46Å; R185-R272 PolarHBondContact NH2-O 3.38Å
186G97.3Very high88.9Confident0 Ų040.8 Ų40.80%020%0.196CC..EExtended strand (participates in β ladder)trans179.4-178.1-172.400000112.4E181 G184 H215E181-G186 WeakPolarHBondContact CB-O 3.43Å; E181-G186 PolarHBondContact N-O 3.25Å; E181-G186 VanDerWaalsContact N-O 3.1Å; G184-G186 VanDerWaalsContact C-N 3.32Å; G186-H215 CarbonylContact C-O 3.46Å; G186-H215 WeakPolarHBondContact CA-O 3.45Å
187V98.5Very high86.4Confident0 Ų044.4 Ų44.40%022%0.222CC..EExtended strand (participates in β ladder)trans-131.7142.7-179-63.50000111.1F157 L170 V178 A179 W180 Y214 H215F157-V187 HydrophobicContact CE1-CG1 3.91Å; F157-V187 HydrophobicContact CE1-CG2 4.08Å; F157-V187 HydrophobicContact CZ-CG2 3.84Å; L170-V187 HydrophobicContact CD1-CG2 4.26Å; V178-V187 HydrophobicContact CG1-CB 3.88Å; V178-V187 HydrophobicContact CG1-CG1 3.91Å; V178-V187 HydrophobicContact CG1-CG2 4.11Å; A179-V187 CarbonylContact O-C 3.56Å; A179-V187 WeakPolarHBondContact O-CA 3.46Å; W180-V187 HydrophobicContact CD2-CG1 3.46Å; W180-V187 VanDerWaalsContact CD2-CG1 3.46Å; W180-V187 HydrophobicContact CE3-CG1 3.67Å; W180-V187 HydrophobicContact CG-CG1 3.91Å; W180-V187 HydrophobicContact CH2-CG1 4.2Å; W180-V187 HydrophobicContact CZ2-CG1 4.03Å; W180-V187 HydrophobicContact CZ3-CG1 4.04Å; V187-Y214 WeakPolarHBondContact O-CA 3.15Å; V187-Y214 WeakPolarHBondContact O-CD2 3.22Å; V187-H215 HydrophobicContact CG2-CB 4.05Å; V187-H215 PolarHBondContact N-O 2.83Å; V187-H215 PolarHBondContact O-N 2.93Å
188F98.5Very high84Confident0 Ų044.9 Ų44.90%023%0.225CC..EExtended strand (participates in β ladder)trans-80.6136.5157.7-61.4-86.2000108.1V178 A179 E181 V212 Y213 Y214 V240 V242 L249 L268 P275 V278V178-F188 CarbonylContact C-O 3.52Å; V178-F188 WeakPolarHBondContact CA-O 3.24Å; A179-F188 HydrophobicContact CB-CB 4.46Å; A179-F188 PolarHBondContact N-O 2.98Å; A179-F188 PolarHBondContact O-N 3.41Å; E181-F188 HydrophobicContact CB-CE2 4.34Å; F188-V212 HydrophobicContact CB-CG1 4.41Å; F188-V212 HydrophobicContact CD1-CG1 4.42Å; F188-Y213 CarbonylContact C-O 3.58Å; F188-Y213 VanDerWaalsContact CA-O 3.27Å; F188-Y213 WeakPolarHBondContact CA-O 3.48Å; F188-Y214 AromaticContact CD1-CD2 3.85Å; F188-Y214 HydrophobicContact CD1-CD2 3.85Å; F188-Y214 HydrophobicContact CD1-CG 4.46Å; F188-Y214 HydrophobicContact CD2-CD2 4.12Å; F188-Y214 HydrophobicContact CD2-CE2 4.45Å; F188-Y214 AromaticContact CE1-CD2 3.71Å; F188-Y214 HydrophobicContact CE1-CD2 3.71Å; F188-Y214 HydrophobicContact CE1-CG 4.25Å; F188-Y214 AromaticContact CE2-CD2 3.99Å; F188-Y214 HydrophobicContact CE2-CD2 3.99Å; F188-Y214 HydrophobicContact CE2-CE2 4.15Å; F188-Y214 HydrophobicContact CG-CD2 4.05Å; F188-Y214 AromaticContact CZ-CD2 3.78Å; F188-Y214 HydrophobicContact CZ-CD2 3.78Å; F188-Y214 HydrophobicContact CZ-CE2 4.21Å; F188-V240 HydrophobicContact CB-CG1 4.15Å; F188-V240 HydrophobicContact CB-CG2 4.12Å; F188-V242 HydrophobicContact CD2-CG2 4.13Å; F188-V242 HydrophobicContact CE2-CG2 4.49Å; F188-L249 HydrophobicContact CB-CD1 4.07Å; F188-L249 HydrophobicContact CD1-CD1 3.97Å; F188-L249 HydrophobicContact CD1-CD2 3.98Å; F188-L249 HydrophobicContact CD2-CD1 3.63Å; F188-L249 HydrophobicContact CE1-CD1 4.33Å; F188-L249 HydrophobicContact CE1-CD2 3.99Å; F188-L249 HydrophobicContact CE2-CD1 4.02Å; F188-L249 HydrophobicContact CG-CD1 3.6Å; F188-L249 HydrophobicContact CG-CD2 4.46Å; F188-L249 HydrophobicContact CZ-CD1 4.35Å; F188-L249 HydrophobicContact CZ-CD2 4.48Å; F188-L268 HydrophobicContact CE2-CD1 4.41Å; F188-L268 HydrophobicContact CE2-CD2 3.82Å; F188-L268 HydrophobicContact CZ-CD2 3.6Å; F188-P275 HydrophobicContact CZ-CB 3.99Å; F188-P275 WeakPolarHBondContact CZ-O 3.47Å; F188-V278 HydrophobicContact CE1-CG1 3.9Å; F188-V278 HydrophobicContact CZ-CG1 4.22Å
189Y98.2Very high81.6Confident1 Ų147.8 Ų47.80%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-145.4164.2174.773.8-75.3000111.2L170 L173 T177 M191 V212 Y213 H215 D224L170-Y189 HydrophobicContact CD1-CD1 3.97Å; L170-Y189 HydrophobicContact CD1-CD2 4.2Å; L170-Y189 HydrophobicContact CD1-CE1 4.14Å; L170-Y189 HydrophobicContact CD1-CE2 4.36Å; L170-Y189 HydrophobicContact CD1-CG 3.98Å; L170-Y189 HydrophobicContact CD2-CE1 4.19Å; L173-Y189 HydrophobicContact CD1-CD2 4.09Å; L173-Y189 HydrophobicContact CD1-CE2 4.46Å; L173-Y189 HydrophobicContact CD2-CD2 3.96Å; L173-Y189 HydrophobicContact CD2-CE2 3.63Å; T177-Y189 WeakPolarHBondContact O-CA 3.46Å; T177-Y189 WeakPolarHBondContact O-CB 3.43Å; Y189-M191 HydrophobicContact CD2-CB 4.47Å; Y189-M191 HydrophobicContact CE2-CB 4.1Å; Y189-M191 HydrophobicContact CE2-CG 3.99Å; Y189-M191 HydrophobicContact CE2-SD 3.61Å; Y189-V212 CarbonylContact O-C 3.57Å; Y189-V212 WeakPolarHBondContact O-CA 3.32Å; Y189-Y213 PolarHBondContact N-O 2.8Å; Y189-Y213 PolarHBondContact O-N 2.86Å; Y189-H215 HydrophobicContact CD1-CB 4.21Å; Y189-H215 HydrophobicContact CE1-CB 3.91Å; Y189-D224 HydrophobicContact CE1-CB 4.35Å; Y189-D224 WeakPolarHBondContact CE1-OD2 3.02Å; Y189-D224 VanDerWaalsContact CZ-OD2 3.26Å; Y189-D224 PolarHBondContact OH-OD2 3Å
190T95.9Very high79.3Confident0 Ų049 Ų490%025%0.254CS..EExtended strand (participates in β ladder)trans-112143177.959.20000111.9T176 T177 H210 S211 V212 I238 V240T176-T190 WeakPolarHBondContact CA-OG1 3.44Å; T176-T190 WeakPolarHBondContact CB-O 3.28Å; T176-T190 PolarHBondContact OG1-O 3.16Å; T177-T190 PolarHBondContact N-OG1 2.98Å; T177-T190 PolarHBondContact O-N 2.8Å; T177-T190 PolarHBondContact OG1-OG1 3.43Å; T190-H210 WeakPolarHBondContact CB-CE1 3.33Å; T190-H210 PolarHBondContact OG1-CE1 3.28Å; T190-S211 WeakPolarHBondContact CA-O 3.07Å; T190-V212 HydrophobicContact CG2-CG2 3.96Å; T190-I238 HydrophobicContact CG2-CB 4.47Å; T190-I238 WeakPolarHBondContact CG2-O 3.2Å; T190-V240 HydrophobicContact CG2-CB 4.16Å; T190-V240 HydrophobicContact CG2-CG1 3.93Å
191M91.9Very high77.1Confident13 Ų1353.3 Ų53.36%0.06428%0.278CS..EExtended strand (participates in β ladder)trans-154.8162.2174.968.8-179.3-70.800110.8L173 Y189 H210 S211 Y213L173-M191 HydrophobicContact CD2-CB 3.9Å; L173-M191 HydrophobicContact CD2-SD 4.43Å; Y189-M191 HydrophobicContact CD2-CB 4.47Å; Y189-M191 HydrophobicContact CE2-CB 4.1Å; Y189-M191 HydrophobicContact CE2-CG 3.99Å; Y189-M191 HydrophobicContact CE2-SD 3.61Å; M191-H210 VanDerWaalsContact C-CD2 3.46Å; M191-S211 PolarHBondContact N-O 3.43Å; M191-S211 PolarHBondContact O-N 3.24Å; M191-Y213 HydrophobicContact CG-CD2 3.55Å; M191-Y213 HydrophobicContact CG-CE2 3.57Å; M191-Y213 HydrophobicContact CG-CG 4.49Å; M191-Y213 HydrophobicContact SD-CD2 4.08Å; M191-Y213 HydrophobicContact SD-CE2 4.16Å
192Y87Confident75.1Confident23 Ų2354.3 Ų54.39%0.0929%0.286CS..  trans-78.3136.8161.3-66.7-76.7000109.3L174 Y175 D194 G207 E208 H210L174-Y192 HydrophobicContact CB-CD2 3.91Å; L174-Y192 HydrophobicContact CB-CE2 3.97Å; Y175-Y192 AromaticContact CD2-CE2 3.97Å; Y175-Y192 HydrophobicContact CD2-CE2 3.97Å; Y192-D194 PolarHBondContact O-N 2.83Å; Y192-G207 VanDerWaalsContact CD1-CA 3.5Å; Y192-G207 WeakPolarHBondContact CE1-O 3.21Å; Y192-E208 WeakPolarHBondContact CD1-O 2.96Å; Y192-H210 HydrophobicContact CD1-CB 3.92Å; Y192-H210 AromaticContact CD2-CD2 3.92Å; Y192-H210 HydrophobicContact CE1-CB 3.57Å; Y192-H210 AromaticContact CE2-CD2 3.81Å; Y192-H210 AromaticContact CZ-CD2 3.89Å
193P80.7Confident73.5Confident49 Ų4954.7 Ų54.732%0.31829%0.285SS..  trans-60.6137.317125.5-32.6000109.5D195 Y209P193-D195 PolarHBondContact O-N 2.78Å; P193-Y209 WeakPolarHBondContact CD-O 3.22Å
194D67Low71.8Confident101 Ų10152.3 Ų52.354%0.5429%0.289SS..  trans-57.2108.5178.7-87.9-19.9000111Y192 R196Y192-D194 PolarHBondContact O-N 2.83Å; D194-R196 VanDerWaalsContact C-N 3.27Å; D194-R196 HydrophobicContact CB-CG 3.84Å; D194-R196 PolarHBondContact O-N 2.98Å
195D55Low70.5Confident95 Ų9553.5 Ų53.551%0.50829%0.292SS..  trans-78.888.2147.7-170.8-11.1000107.4P193 S197 V198P193-D195 PolarHBondContact O-N 2.78Å; D195-S197 VanDerWaalsContact CG-OG 3.24Å; D195-S197 PolarHBondContact O-N 3.39Å; D195-S197 VanDerWaalsContact OD1-CB 3.32Å; D195-S197 WeakPolarHBondContact OD1-CB 3.06Å; D195-S197 PolarHBondContact OD1-N 3.18Å; D195-S197 VanDerWaalsContact OD1-N 3.14Å; D195-S197 PolarHBondContact OD1-OG 3.24Å; D195-S197 PolarHBondContact OD2-OG 3.47Å; D195-V198 PolarHBondContact O-N 3.48Å; D195-V198 VanDerWaalsContact O-N 3.09Å
196R46.1Very low69Low229 Ų22953.1 Ų53.186%0.86429%0.292SS*.THydrogen-bonded Turntrans-56.4-6.6-178.9-61.8-175.9-176.71664.1113.9D194D194-R196 VanDerWaalsContact C-N 3.27Å; D194-R196 HydrophobicContact CB-CG 3.84Å; D194-R196 PolarHBondContact O-N 2.98Å
197S40Very low67.9Low91 Ų9153.6 Ų53.664%0.63630%0.298SS*.THydrogen-bonded Turntrans-85.1-19.1178740000114.5D195D195-S197 VanDerWaalsContact CG-OG 3.24Å; D195-S197 PolarHBondContact O-N 3.39Å; D195-S197 VanDerWaalsContact OD1-CB 3.32Å; D195-S197 WeakPolarHBondContact OD1-CB 3.06Å; D195-S197 PolarHBondContact OD1-N 3.18Å; D195-S197 VanDerWaalsContact OD1-N 3.14Å; D195-S197 PolarHBondContact OD1-OG 3.24Å; D195-S197 PolarHBondContact OD2-OG 3.47Å
198V47.3Very low67.1Low45 Ų4557.6 Ų57.627%0.27332%0.316SS..SBendtrans-126.6113.6-178.7-170.80000109.7D195 A200 C202 N205D195-V198 PolarHBondContact O-N 3.48Å; D195-V198 VanDerWaalsContact O-N 3.09Å; V198-A200 PolarHBondContact O-N 3.49Å; V198-C202 HydrophobicContact CG1-CB 3.92Å; V198-N205 HydrophobicContact CB-CB 4.49Å; V198-N205 HydrophobicContact CG1-CB 3.87Å; V198-N205 PolarHBondContact O-ND2 3.14Å
199P48.3Very low66.5Low76 Ų7662.5 Ų62.549%0.49434%0.336SS..  trans-51.5138174.7-27.836.1000111.6D201 C202P199-D201 WeakPolarHBondContact CB-OD1 3.34Å; P199-D201 PolarHBondContact O-N 3.06Å; P199-C202 WeakPolarHBondContact O-CB 3.48Å; P199-C202 PolarHBondContact O-N 3.46Å
200A49.9Very low66.2Low35 Ų3562.6 Ų62.629%0.28934%0.336SS..THydrogen-bonded Turntrans-59-21.4-178.500000113.3V198 C202V198-A200 PolarHBondContact O-N 3.49Å; A200-C202 VanDerWaalsContact C-N 3.33Å
201D49.9Very low66.1Low105 Ų10562.8 Ų62.856%0.56134%0.337SS*.THydrogen-bonded Turntrans-83.1-1.6177.777.3-17000114.3K37 P199K37-D201 IonicContact NZ-OD1 2.75Å; K37-D201 IonicContact NZ-OD2 3.17Å; P199-D201 WeakPolarHBondContact CB-OD1 3.34Å; P199-D201 PolarHBondContact O-N 3.06Å
202C54.2Low66.3Low27 Ų2762.1 Ų62.118%0.18233%0.334CS..SBendtrans-90.6126.2-179.7-71.70000111K37 V198 P199 A200 A204 N205K37-C202 PolarHBondContact NZ-SG 3.3Å; V198-C202 HydrophobicContact CG1-CB 3.92Å; P199-C202 WeakPolarHBondContact O-CB 3.48Å; P199-C202 PolarHBondContact O-N 3.46Å; A200-C202 VanDerWaalsContact C-N 3.33Å; C202-A204 PolarHBondContact O-N 3.04Å; C202-N205 WeakPolarHBondContact O-CB 3.26Å; C202-N205 PolarHBondContact O-N 3.02Å
203F58.9Low66.8Low28 Ų2863 Ų6312%0.12334%0.338CS..THydrogen-bonded Turntrans-57.2-14.3179.8-63.5-43.9000115.4S36 F595 T596 D646 D647 V650 P651S36-F203 WeakPolarHBondContact OG-CD2 3.42Å; S36-F203 VanDerWaalsContact OG-CE2 3.27Å; S36-F203 WeakPolarHBondContact OG-CE2 3.38Å; F203-F595 WeakPolarHBondContact O-CA 3.03Å; F203-T596 HydrophobicContact CB-CG2 4.28Å; F203-T596 HydrophobicContact CD1-CG2 3.9Å; F203-T596 PolarHBondContact O-N 3.09Å; F203-D646 WeakPolarHBondContact CE1-O 3.48Å; F203-D647 HydrophobicContact CE1-CB 4.25Å; F203-V650 HydrophobicContact CB-CG1 3.93Å; F203-V650 HydrophobicContact CD1-CB 4.3Å; F203-V650 HydrophobicContact CD1-CG1 3.37Å; F203-V650 HydrophobicContact CD2-CG1 4.38Å; F203-V650 HydrophobicContact CE1-CG1 3.91Å; F203-V650 HydrophobicContact CG-CB 4.34Å; F203-V650 HydrophobicContact CG-CG1 3.65Å; F203-P651 HydrophobicContact CE2-CG 4.21Å; F203-P651 HydrophobicContact CZ-CG 4.18Å
204A56.2Low67.7Low76 Ų7661 Ų6163%0.62832%0.324SS*.THydrogen-bonded Turntrans-83.2-13.3175.700000114C202 K206C202-A204 PolarHBondContact O-N 3.04Å; A204-K206 PolarHBondContact O-N 2.88Å
205N64.6Low69.1Low41 Ų4156.2 Ų56.222%0.21930%0.298CS..  trans-75.4113.7175.8-167.9-22.7000109.1V198 C202 G207 T596V198-N205 HydrophobicContact CB-CB 4.49Å; V198-N205 HydrophobicContact CG1-CB 3.87Å; V198-N205 PolarHBondContact O-ND2 3.14Å; C202-N205 WeakPolarHBondContact O-CB 3.26Å; C202-N205 PolarHBondContact O-N 3.02Å; N205-G207 PolarHBondContact OD1-N 3.19Å; N205-G207 VanDerWaalsContact OD1-N 3.11Å; N205-T596 WeakPolarHBondContact O-CA 3.48Å
206K64.8Low71.2Confident80 Ų8054.6 Ų54.635%0.34829%0.292SS..  trans-80.5-19.6-176.4-67.6-175.7-178.4178.70113.9A204 E208 T596A204-K206 PolarHBondContact O-N 2.88Å; K206-E208 HydrophobicContact CB-CG 4.45Å; K206-T596 WeakPolarHBondContact CA-O 3.34Å
207G72.3Confident73.6Confident11 Ų1145.5 Ų45.511%0.11326%0.26CS..  trans59.996-167.400000111Y192 N205Y192-G207 VanDerWaalsContact CD1-CA 3.5Å; Y192-G207 WeakPolarHBondContact CE1-O 3.21Å; N205-G207 PolarHBondContact OD1-N 3.19Å; N205-G207 VanDerWaalsContact OD1-N 3.11Å
208E82Confident76.4Confident83 Ų8344.4 Ų44.439%0.38826%0.263SS..  trans-115.8150.4176.1-65.9-179.7171.300110.4Y192 K206 P234Y192-E208 WeakPolarHBondContact CD1-O 2.96Å; K206-E208 HydrophobicContact CB-CG 4.45Å; E208-P234 WeakPolarHBondContact CA-O 3.35Å; E208-P234 HydrophobicContact CB-CB 4.18Å; E208-P234 HydrophobicContact CG-CB 4.36Å
209Y87.1Confident78.7Confident103 Ų10344.3 Ų44.340%0.40426%0.263SS..SBendtrans63.547.3177.3-49-80.2000114.3P193 S211 P234P193-Y209 WeakPolarHBondContact CD-O 3.22Å; Y209-S211 PolarHBondContact O-N 3.14Å; Y209-S211 PolarHBondContact O-OG 3.07Å; Y209-P234 HydrophobicContact CD1-CB 4.15Å; Y209-P234 HydrophobicContact CE1-CB 3.72Å; Y209-P234 HydrophobicContact CE2-CB 4.08Å; Y209-P234 PolarHBondContact N-O 3.14Å
210H91.2Very high81.1Confident3 Ų343 Ų431%0.01426%0.255CS..  trans-53.4126.7174.2-164.8-118.5000110.6L174 T190 M191 Y192 A236 I238L174-H210 PolarHBondContact O-NE2 3.41Å; T190-H210 WeakPolarHBondContact CB-CE1 3.33Å; T190-H210 PolarHBondContact OG1-CE1 3.28Å; M191-H210 VanDerWaalsContact C-CD2 3.46Å; Y192-H210 HydrophobicContact CD1-CB 3.92Å; Y192-H210 AromaticContact CD2-CD2 3.92Å; Y192-H210 HydrophobicContact CE1-CB 3.57Å; Y192-H210 AromaticContact CE2-CD2 3.81Å; Y192-H210 AromaticContact CZ-CD2 3.89Å; H210-A236 VanDerWaalsContact CB-O 3.28Å; H210-A236 WeakPolarHBondContact CB-O 3.39Å; H210-I238 PolarHBondContact CE1-O 2.84Å; H210-I238 PolarHBondContact ND1-N 3.06Å; H210-I238 PolarHBondContact ND1-O 3.09Å; H210-I238 WeakPolarHBondContact O-CD1 3.39Å; H210-I238 WeakPolarHBondContact O-CG1 3.48Å
211S94.2Very high83.2Confident4 Ų443.4 Ų43.43%0.02825%0.25CS..EExtended strand (participates in β ladder)trans-135.6157.8-166-650000111.8T190 M191 Y209 D229T190-S211 WeakPolarHBondContact CA-O 3.07Å; M191-S211 PolarHBondContact N-O 3.43Å; M191-S211 PolarHBondContact O-N 3.24Å; Y209-S211 PolarHBondContact O-N 3.14Å; Y209-S211 PolarHBondContact O-OG 3.07Å; S211-D229 WeakPolarHBondContact OG-CB 3.48Å
212V96.8Very high85.3Confident0 Ų048.3 Ų48.30%026%0.261CS..EExtended strand (participates in β ladder)trans-95.5125.1175.9-174.10000109.6F188 Y189 T190 C227 F228 I238 V240F188-V212 HydrophobicContact CB-CG1 4.41Å; F188-V212 HydrophobicContact CD1-CG1 4.42Å; Y189-V212 CarbonylContact O-C 3.57Å; Y189-V212 WeakPolarHBondContact O-CA 3.32Å; T190-V212 HydrophobicContact CG2-CG2 3.96Å; V212-C227 HydrophobicContact CB-CB 4.42Å; V212-C227 HydrophobicContact CG1-CB 4.18Å; V212-C227 WeakPolarHBondContact O-CB 3.17Å; V212-C227 PolarHBondContact O-N 3.05Å; V212-F228 HydrophobicContact CB-CB 4.07Å; V212-F228 HydrophobicContact CG2-CB 4.13Å; V212-F228 HydrophobicContact CG2-CD1 3.97Å; V212-F228 PolarHBondContact N-O 2.91Å; V212-F228 PolarHBondContact O-N 3.33Å; V212-I238 HydrophobicContact CG2-CG2 3.69Å; V212-V240 HydrophobicContact CG1-CB 4.3Å; V212-V240 HydrophobicContact CG1-CG1 4.45Å; V212-V240 HydrophobicContact CG1-CG2 4.02Å; V212-V240 HydrophobicContact CG2-CB 4.42Å
213Y97.3Very high87.3Confident40 Ų4051.5 Ų51.516%0.15728%0.276CS..EExtended strand (participates in β ladder)trans-115.5158.5174-70.8-97.6000111.2F188 Y189 M191 D224 V225 L226F188-Y213 CarbonylContact C-O 3.58Å; F188-Y213 VanDerWaalsContact CA-O 3.27Å; F188-Y213 WeakPolarHBondContact CA-O 3.48Å; Y189-Y213 PolarHBondContact N-O 2.8Å; Y189-Y213 PolarHBondContact O-N 2.86Å; M191-Y213 HydrophobicContact CG-CD2 3.55Å; M191-Y213 HydrophobicContact CG-CE2 3.57Å; M191-Y213 HydrophobicContact CG-CG 4.49Å; M191-Y213 HydrophobicContact SD-CD2 4.08Å; M191-Y213 HydrophobicContact SD-CE2 4.16Å; Y213-D224 HydrophobicContact CD1-CB 4.43Å; Y213-V225 CarbonylContact C-O 3.59Å; Y213-V225 WeakPolarHBondContact CA-O 3.36Å; Y213-L226 HydrophobicContact CD1-CB 4.24Å; Y213-L226 HydrophobicContact CE1-CB 3.91Å; Y213-L226 HydrophobicContact CE1-CD1 4.11Å; Y213-L226 HydrophobicContact CE2-CD1 4.1Å
214Y98Very high89Confident9 Ų951.1 Ų51.14%0.03528%0.275CS..EExtended strand (participates in β ladder)trans-115.4122.7169.1-178.8-102000110.6E181 V187 F188 T216 D224 V225 C227 P275E181-Y214 HydrophobicContact CB-CE2 3.95Å; E181-Y214 HydrophobicContact CG-CE2 4.23Å; V187-Y214 WeakPolarHBondContact O-CA 3.15Å; V187-Y214 WeakPolarHBondContact O-CD2 3.22Å; F188-Y214 AromaticContact CD1-CD2 3.85Å; F188-Y214 HydrophobicContact CD1-CD2 3.85Å; F188-Y214 HydrophobicContact CD1-CG 4.46Å; F188-Y214 HydrophobicContact CD2-CD2 4.12Å; F188-Y214 HydrophobicContact CD2-CE2 4.45Å; F188-Y214 AromaticContact CE1-CD2 3.71Å; F188-Y214 HydrophobicContact CE1-CD2 3.71Å; F188-Y214 HydrophobicContact CE1-CG 4.25Å; F188-Y214 AromaticContact CE2-CD2 3.99Å; F188-Y214 HydrophobicContact CE2-CD2 3.99Å; F188-Y214 HydrophobicContact CE2-CE2 4.15Å; F188-Y214 HydrophobicContact CG-CD2 4.05Å; F188-Y214 AromaticContact CZ-CD2 3.78Å; F188-Y214 HydrophobicContact CZ-CD2 3.78Å; F188-Y214 HydrophobicContact CZ-CE2 4.21Å; Y214-T216 WeakPolarHBondContact CE1-OG1 3.47Å; Y214-D224 WeakPolarHBondContact O-CA 3.36Å; Y214-D224 WeakPolarHBondContact O-CB 3.37Å; Y214-V225 PolarHBondContact N-O 3.25Å; Y214-V225 PolarHBondContact O-N 2.87Å; Y214-C227 WeakPolarHBondContact CB-SG 3.32Å; Y214-P275 HydrophobicContact CD2-CB 4.44Å; Y214-P275 HydrophobicContact CE1-CB 4.35Å; Y214-P275 HydrophobicContact CE2-CB 3.92Å
215H98.1Very high90.9Very high0 Ų050.5 Ų50.50%026%0.264CS..EExtended strand (participates in β ladder)trans-99.2128.6173.8178.368.8000110.6F157 D168 L170 G186 V187 Y189 T219 D224F157-H215 AromaticContact CZ-CD2 3.96Å; D168-H215 IonicContact OD1-CE1 2.69Å; D168-H215 IonicContact OD1-NE2 3.28Å; D168-H215 PolarHBondContact OD1-NE2 3.48Å; D168-H215 VanDerWaalsContact OD1-NE2 3.17Å; L170-H215 HydrophobicContact CD2-CB 4.03Å; G186-H215 CarbonylContact C-O 3.46Å; G186-H215 WeakPolarHBondContact CA-O 3.45Å; V187-H215 HydrophobicContact CG2-CB 4.05Å; V187-H215 PolarHBondContact N-O 2.83Å; V187-H215 PolarHBondContact O-N 2.93Å; Y189-H215 HydrophobicContact CD1-CB 4.21Å; Y189-H215 HydrophobicContact CE1-CB 3.91Å; H215-T219 PolarHBondContact CE1-O 2.85Å; H215-D224 WeakPolarHBondContact CA-OD1 3.4Å; H215-D224 IonicContact CE1-OD1 3.17Å; H215-D224 IonicContact CG-OD1 2.86Å; H215-D224 IonicContact CG-OD2 3.83Å; H215-D224 IonicContact ND1-OD1 3.59Å; H215-D224 PolarHBondContact ND1-OD1 2.84Å; H215-D224 IonicContact ND1-OD2 3.86Å; H215-D224 PolarHBondContact ND1-OD2 2.86Å
216T97.7Very high92.4Very high60 Ų6052.4 Ų52.437%0.36827%0.274SS..EExtended strand (participates in β ladder)trans-96.7126.9172.7-560000109.4Y214 T219Y214-T216 WeakPolarHBondContact CE1-OG1 3.47Å; T216-T219 HydrophobicContact CG2-CG2 4.25Å; T216-T219 WeakPolarHBondContact O-CB 3.49Å; T216-T219 PolarHBondContact O-N 3.32Å; T216-T219 PolarHBondContact O-OG1 2.74Å
217L97.8Very high93.9Very high38 Ų3849.6 Ų49.620%0.19926%0.263CS..THydrogen-bonded Turntrans-61.1143.2178.4-67.6178.5000111.6I140 F157 L166 D168 W180 R185I140-L217 HydrophobicContact CD1-CD1 3.86Å; F157-L217 HydrophobicContact CD1-CD2 3.85Å; F157-L217 HydrophobicContact CD2-CD2 4.19Å; F157-L217 HydrophobicContact CE1-CD2 3.99Å; F157-L217 HydrophobicContact CE2-CD2 4.32Å; F157-L217 HydrophobicContact CG-CD2 3.95Å; F157-L217 HydrophobicContact CZ-CD2 4.22Å; L166-L217 HydrophobicContact CD1-CD1 4.43Å; L166-L217 HydrophobicContact CD1-CD2 4.49Å; D168-L217 HydrophobicContact CB-CD2 4.24Å; D168-L217 WeakPolarHBondContact OD1-CA 3.23Å; W180-L217 HydrophobicContact CH2-CD1 4.06Å; W180-L217 HydrophobicContact CZ3-CD1 3.95Å; R185-L217 PolarHBondContact O-N 2.05Å
218G97.4Very high95Very high68 Ų6850.1 Ų50.170%0.70126%0.263SS*.THydrogen-bonded Turntrans80.813-172.500000114.1D168D168-G218 WeakPolarHBondContact OD1-CA 3.47Å; D168-G218 PolarHBondContact OD1-N 3.33Å; D168-G218 PolarHBondContact OD2-N 2.81Å
219T97.3Very high95.6Very high44 Ų4449.3 Ų49.327%0.2726%0.261SS..SBendtrans-126.7153.4-179.574.90000111.6D168 H215 T216D168-T219 PolarHBondContact OD1-N 3.33Å; H215-T219 PolarHBondContact CE1-O 2.85Å; T216-T219 HydrophobicContact CG2-CG2 4.25Å; T216-T219 WeakPolarHBondContact O-CB 3.49Å; T216-T219 PolarHBondContact O-N 3.32Å; T216-T219 PolarHBondContact O-OG1 2.74Å
220P96.9Very high95.8Very high49 Ų4944.8 Ų44.832%0.31824%0.244SC..  trans-76145176.530.5-34.8000111.5R222 N223P220-R222 HydrophobicContact CB-CG 4.21Å; P220-R222 HydrophobicContact CG-CG 4.14Å; P220-R222 PolarHBondContact O-N 3Å; P220-N223 HydrophobicContact CG-CB 4.48Å; P220-N223 WeakPolarHBondContact O-CB 3.26Å; P220-N223 PolarHBondContact O-N 3.02Å
221Q95.8Very high95.7Very high42 Ų4248.5 Ų48.520%0.19627%0.268CS..G310 helixtrans-48.5-34.8-179.8-172.6-178.410.400114.4L170 E171 N223 D224L170-Q221 HydrophobicContact CD2-CB 4.24Å; L170-Q221 HydrophobicContact CD2-CG 3.92Å; E171-Q221 PolarHBondContact O-NE2 3.14Å; Q221-N223 PolarHBondContact O-N 3.35Å; Q221-D224 WeakPolarHBondContact O-CB 3.35Å; Q221-D224 PolarHBondContact O-N 3Å
222R93.8Very high95.5Very high208 Ų20855 Ų5579%0.78530%0.299SS*.G310 helixtrans-60.6-14.8177.270.7176.2178.8-90.9-1114.5P220P220-R222 HydrophobicContact CB-CG 4.21Å; P220-R222 HydrophobicContact CG-CG 4.14Å; P220-R222 PolarHBondContact O-N 3Å
223N95Very high95.1Very high94 Ų9456.3 Ų56.350%0.50331%0.305SS..G310 helixtrans-95.3-0.4177.6-68.43.6000112.2P220 Q221P220-N223 HydrophobicContact CG-CB 4.48Å; P220-N223 WeakPolarHBondContact O-CB 3.26Å; P220-N223 PolarHBondContact O-N 3.02Å; Q221-N223 PolarHBondContact O-N 3.35Å
224D96Very high94.6Very high20 Ų2056.1 Ų56.111%0.10731%0.309CS..PPolyproline II helixtrans-64.5141.9-177.7-66-4.7000110.9Y189 Y213 Y214 H215 Q221Y189-D224 HydrophobicContact CE1-CB 4.35Å; Y189-D224 WeakPolarHBondContact CE1-OD2 3.02Å; Y189-D224 VanDerWaalsContact CZ-OD2 3.26Å; Y189-D224 PolarHBondContact OH-OD2 3Å; Y213-D224 HydrophobicContact CD1-CB 4.43Å; Y214-D224 WeakPolarHBondContact O-CA 3.36Å; Y214-D224 WeakPolarHBondContact O-CB 3.37Å; H215-D224 WeakPolarHBondContact CA-OD1 3.4Å; H215-D224 IonicContact CE1-OD1 3.17Å; H215-D224 IonicContact CG-OD1 2.86Å; H215-D224 IonicContact CG-OD2 3.83Å; H215-D224 IonicContact ND1-OD1 3.59Å; H215-D224 PolarHBondContact ND1-OD1 2.84Å; H215-D224 IonicContact ND1-OD2 3.86Å; H215-D224 PolarHBondContact ND1-OD2 2.86Å; Q221-D224 WeakPolarHBondContact O-CB 3.35Å; Q221-D224 PolarHBondContact O-N 3Å
225V95.8Very high94Very high64 Ų6457.5 Ų57.539%0.38832%0.317SS..EExtended strand (participates in β ladder)trans-93.7128.1-172.1179.70000109.2Y213 Y214 C227Y213-V225 CarbonylContact C-O 3.59Å; Y213-V225 WeakPolarHBondContact CA-O 3.36Å; Y214-V225 PolarHBondContact N-O 3.25Å; Y214-V225 PolarHBondContact O-N 2.87Å; V225-C227 PolarHBondContact O-N 2.95Å; V225-C227 PolarHBondContact O-SG 3.44Å
226L95Very high93.6Very high81 Ų8157.6 Ų57.642%0.42432%0.318SS..EExtended strand (participates in β ladder)trans-67.6119.3169177.266.1000109.5Y213 D229Y213-L226 HydrophobicContact CD1-CB 4.24Å; Y213-L226 HydrophobicContact CE1-CB 3.91Å; Y213-L226 HydrophobicContact CE1-CD1 4.11Å; Y213-L226 HydrophobicContact CE2-CD1 4.1Å; L226-D229 HydrophobicContact CD1-CB 4.38Å
227C96.1Very high93.3Very high20 Ų2056.2 Ų56.214%0.13531%0.308CS..EExtended strand (participates in β ladder)trans-99.6-40.1-177.5-61.80000112.5V212 Y214 V225 G276V212-C227 HydrophobicContact CB-CB 4.42Å; V212-C227 HydrophobicContact CG1-CB 4.18Å; V212-C227 WeakPolarHBondContact O-CB 3.17Å; V212-C227 PolarHBondContact O-N 3.05Å; Y214-C227 WeakPolarHBondContact CB-SG 3.32Å; V225-C227 PolarHBondContact O-N 2.95Å; V225-C227 PolarHBondContact O-SG 3.44Å; C227-G276 PolarHBondContact SG-O 3.31Å; C227-G276 VanDerWaalsContact SG-O 3.33Å
228F96.2Very high93.2Very high22 Ų2254.4 Ų54.410%0.09630%0.299CS..EExtended strand (participates in β ladder)trans-158.9136.8-174.2177.1-111.5000111.4V212 V230 I238 C251 V253 F264 V280V212-F228 HydrophobicContact CB-CB 4.07Å; V212-F228 HydrophobicContact CG2-CB 4.13Å; V212-F228 HydrophobicContact CG2-CD1 3.97Å; V212-F228 PolarHBondContact N-O 2.91Å; V212-F228 PolarHBondContact O-N 3.33Å; F228-V230 HydrophobicContact CE1-CG2 4.01Å; F228-V230 HydrophobicContact CZ-CG2 3.8Å; F228-I238 HydrophobicContact CD1-CD1 3.96Å; F228-I238 HydrophobicContact CD1-CG2 4.36Å; F228-I238 HydrophobicContact CE1-CD1 3.9Å; F228-I238 HydrophobicContact CE1-CG2 4.38Å; F228-C251 HydrophobicContact CD1-CB 3.91Å; F228-C251 HydrophobicContact CE1-CB 3.89Å; F228-V253 HydrophobicContact CE1-CG2 3.73Å; F228-V253 HydrophobicContact CZ-CG2 4.14Å; F228-F264 HydrophobicContact CE1-CD2 4.25Å; F228-F264 HydrophobicContact CE1-CG 4.35Å; F228-F264 HydrophobicContact CE2-CB 4.43Å; F228-F264 AromaticContact CE2-CD1 3.83Å; F228-F264 HydrophobicContact CE2-CD1 3.83Å; F228-F264 HydrophobicContact CE2-CE1 4.17Å; F228-F264 HydrophobicContact CE2-CG 4.03Å; F228-F264 HydrophobicContact CZ-CB 4.09Å; F228-F264 AromaticContact CZ-CD1 3.76Å; F228-F264 HydrophobicContact CZ-CD1 3.76Å; F228-F264 AromaticContact CZ-CD2 3.64Å; F228-F264 HydrophobicContact CZ-CD2 3.64Å; F228-F264 HydrophobicContact CZ-CE1 4.05Å; F228-F264 AromaticContact CZ-CE2 3.93Å; F228-F264 HydrophobicContact CZ-CE2 3.93Å; F228-F264 AromaticContact CZ-CG 3.57Å; F228-F264 HydrophobicContact CZ-CG 3.57Å; F228-F264 HydrophobicContact CZ-CZ 4.13Å; F228-V280 HydrophobicContact CB-CB 4.28Å; F228-V280 HydrophobicContact CB-CG1 4.44Å; F228-V280 HydrophobicContact CB-CG2 4.02Å; F228-V280 HydrophobicContact CD1-CG1 4.46Å; F228-V280 HydrophobicContact CD2-CB 3.79Å; F228-V280 HydrophobicContact CD2-CG1 3.56Å; F228-V280 HydrophobicContact CD2-CG2 4.45Å; F228-V280 HydrophobicContact CE2-CB 4.46Å; F228-V280 HydrophobicContact CE2-CG1 3.84Å; F228-V280 HydrophobicContact CG-CB 4.18Å; F228-V280 HydrophobicContact CG-CG1 3.9Å; F228-V280 HydrophobicContact CG-CG2 4.38Å; F228-V280 HydrophobicContact CZ-CG1 4.41Å
229D94Very high93.1Very high67 Ų6756.6 Ų56.636%0.35829%0.291SS..  trans-143.9172.9174.461.7-6.6000110.4S211 L226S211-D229 WeakPolarHBondContact OG-CB 3.48Å; L226-D229 HydrophobicContact CD1-CB 4.38Å
230V92Very high93.2Very high8 Ų854.9 Ų54.95%0.04828%0.28CS..  trans-131.773.1178.3-171.60000108.2F228 E232 D233 A236 I238 V253F228-V230 HydrophobicContact CE1-CG2 4.01Å; F228-V230 HydrophobicContact CZ-CG2 3.8Å; V230-E232 VanDerWaalsContact CG1-CD 3.48Å; V230-E232 HydrophobicContact CG1-CG 4.03Å; V230-E232 PolarHBondContact O-N 3.32Å; V230-E232 VanDerWaalsContact O-N 3.09Å; V230-D233 HydrophobicContact CG1-CB 4.2Å; V230-D233 PolarHBondContact O-N 3.35Å; V230-A236 HydrophobicContact CB-CB 4.35Å; V230-I238 HydrophobicContact CG2-CD1 4.05Å; V230-V253 HydrophobicContact CG2-CG1 4.03Å; V230-V253 HydrophobicContact CG2-CG2 4.12Å
231P89Confident93.2Very high80 Ų8056 Ų5652%0.51928%0.281SS..THydrogen-bonded Turntrans-62.9-19.9-169.826.1-35.8000113.7D233P231-D233 VanDerWaalsContact C-N 3.34Å
232E89.8Confident93.3Very high142 Ų14255.3 Ų55.366%0.66428%0.28SS*.THydrogen-bonded Turntrans-76-15175.967.9-89.3-151.800114.6V230V230-E232 VanDerWaalsContact CG1-CD 3.48Å; V230-E232 HydrophobicContact CG1-CG 4.03Å; V230-E232 PolarHBondContact O-N 3.32Å; V230-E232 VanDerWaalsContact O-N 3.09Å
233D88.3Confident93.4Very high26 Ų2645.6 Ų45.614%0.13924%0.244CC..  trans-132.891.4-179.9-162.9-0.3000111.4V230 P231 D235 A236 K255V230-D233 HydrophobicContact CG1-CB 4.2Å; V230-D233 PolarHBondContact O-N 3.35Å; P231-D233 VanDerWaalsContact C-N 3.34Å; D233-D235 PolarHBondContact O-N 2.6Å; D233-D235 VanDerWaalsContact O-N 3.13Å; D233-D235 PolarHBondContact OD1-N 3.35Å; D233-A236 HydrophobicContact CB-CB 4.11Å; D233-A236 VanDerWaalsContact O-CB 3.28Å; D233-A236 WeakPolarHBondContact O-CB 3.33Å; D233-A236 PolarHBondContact O-N 2.9Å; D233-A236 VanDerWaalsContact O-N 3.08Å; D233-K255 IonicContact OD1-NZ 3.98Å; D233-K255 PolarHBondContact OD1-NZ 3.06Å; D233-K255 WeakPolarHBondContact OD2-CG 3.37Å; D233-K255 IonicContact OD2-NZ 2.63Å; D233-K255 PolarHBondContact OD2-NZ 2.74Å
234P86.6Confident93.4Very high36 Ų3644.3 Ų44.323%0.23423%0.234CC..THydrogen-bonded Turntrans-60.7-23.4-179.623.5-33.6000113.6E208 Y209 A236E208-P234 WeakPolarHBondContact CA-O 3.35Å; E208-P234 HydrophobicContact CB-CB 4.18Å; E208-P234 HydrophobicContact CG-CB 4.36Å; Y209-P234 HydrophobicContact CD1-CB 4.15Å; Y209-P234 HydrophobicContact CE1-CB 3.72Å; Y209-P234 HydrophobicContact CE2-CB 4.08Å; Y209-P234 PolarHBondContact N-O 3.14Å; P234-A236 VanDerWaalsContact C-N 3.34Å
235D85.2Confident93.2Very high39 Ų3946.3 Ų46.321%0.20925%0.245CC..THydrogen-bonded Turntrans-90.84.5-178.6-62.8-28.7000112.8D233 G256 Q599D233-D235 PolarHBondContact O-N 2.6Å; D233-D235 VanDerWaalsContact O-N 3.13Å; D233-D235 PolarHBondContact OD1-N 3.35Å; D235-G256 PolarHBondContact O-N 2.93Å; D235-Q599 VanDerWaalsContact OD1-CG 3.22Å; D235-Q599 WeakPolarHBondContact OD1-CG 3.48Å; D235-Q599 PolarHBondContact OD2-NE2 3.43Å
236A89.8Confident93.1Very high2 Ų243.5 Ų43.52%0.01723%0.23CC..EExtended strand (participates in β ladder)trans-68.9133.1178.100000111H210 V230 D233 P234 V253 T254H210-A236 VanDerWaalsContact CB-O 3.28Å; H210-A236 WeakPolarHBondContact CB-O 3.39Å; V230-A236 HydrophobicContact CB-CB 4.35Å; D233-A236 HydrophobicContact CB-CB 4.11Å; D233-A236 VanDerWaalsContact O-CB 3.28Å; D233-A236 WeakPolarHBondContact O-CB 3.33Å; D233-A236 PolarHBondContact O-N 2.9Å; D233-A236 VanDerWaalsContact O-N 3.08Å; P234-A236 VanDerWaalsContact C-N 3.34Å; A236-V253 HydrophobicContact CB-CG1 3.93Å; A236-T254 WeakPolarHBondContact CA-O 3.46Å
237L91.9Very high93.1Very high30 Ų3043 Ų4316%0.15723%0.225CC..EExtended strand (participates in β ladder)trans-102.9142.8163.9-8085000108.8Y175 V253 T254 I597Y175-L237 HydrophobicContact CD2-CD2 4.22Å; Y175-L237 HydrophobicContact CG-CD2 4.26Å; L237-V253 CarbonylContact O-C 3.51Å; L237-V253 WeakPolarHBondContact O-CA 3.16Å; L237-T254 PolarHBondContact N-O 3.32Å; L237-T254 PolarHBondContact O-N 2.93Å; L237-T254 PolarHBondContact O-OG1 3.34Å; L237-I597 HydrophobicContact CD1-CD1 4.24Å; L237-I597 HydrophobicContact CD2-CD1 4.47Å
238I95.1Very high93.2Very high1 Ų142.9 Ų42.91%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-125129.7-176.6-48-175.3000108.4T190 H210 V212 F228 V230 C251 T252 V253T190-I238 HydrophobicContact CG2-CB 4.47Å; T190-I238 WeakPolarHBondContact CG2-O 3.2Å; H210-I238 PolarHBondContact CE1-O 2.84Å; H210-I238 PolarHBondContact ND1-N 3.06Å; H210-I238 PolarHBondContact ND1-O 3.09Å; H210-I238 WeakPolarHBondContact O-CD1 3.39Å; H210-I238 WeakPolarHBondContact O-CG1 3.48Å; V212-I238 HydrophobicContact CG2-CG2 3.69Å; F228-I238 HydrophobicContact CD1-CD1 3.96Å; F228-I238 HydrophobicContact CD1-CG2 4.36Å; F228-I238 HydrophobicContact CE1-CD1 3.9Å; F228-I238 HydrophobicContact CE1-CG2 4.38Å; V230-I238 HydrophobicContact CG2-CD1 4.05Å; I238-C251 HydrophobicContact CG2-CB 4.19Å; I238-T252 CarbonylContact C-O 3.56Å; I238-T252 WeakPolarHBondContact CA-O 3.44Å; I238-V253 HydrophobicContact CG1-CG2 4.2Å; I238-V253 HydrophobicContact CG2-CG2 4.29Å
239E96.7Very high93.2Very high114 Ų11441.8 Ų41.853%0.53322%0.218SC..EExtended strand (participates in β ladder)trans-107.2141.3164.8-65.2-179167.500108.9T177 C251 T252T177-E239 HydrophobicContact CG2-CB 4Å; T177-E239 HydrophobicContact CG2-CG 3.96Å; E239-C251 CarbonylContact O-C 3.55Å; E239-C251 WeakPolarHBondContact O-CA 3.37Å; E239-T252 PolarHBondContact N-O 2.93Å; E239-T252 PolarHBondContact O-N 2.88Å
240V98Very high93.5Very high8 Ų838.6 Ų38.65%0.04820%0.201CC..EExtended strand (participates in β ladder)trans-121.2134.3178.174.30000111.3T177 A179 F188 T190 V212 L249 I250T177-V240 PolarHBondContact OG1-N 3.35Å; A179-V240 HydrophobicContact CB-CG1 4.27Å; F188-V240 HydrophobicContact CB-CG1 4.15Å; F188-V240 HydrophobicContact CB-CG2 4.12Å; T190-V240 HydrophobicContact CG2-CB 4.16Å; T190-V240 HydrophobicContact CG2-CG1 3.93Å; V212-V240 HydrophobicContact CG1-CB 4.3Å; V212-V240 HydrophobicContact CG1-CG1 4.45Å; V212-V240 HydrophobicContact CG1-CG2 4.02Å; V212-V240 HydrophobicContact CG2-CB 4.42Å; V240-L249 HydrophobicContact CG2-CD1 3.39Å; V240-L249 HydrophobicContact CG2-CD2 4.35Å; V240-L249 HydrophobicContact CG2-CG 3.89Å; V240-I250 WeakPolarHBondContact CA-O 3.27Å
241E97.8Very high93.8Very high71 Ų7138.2 Ų38.233%0.33220%0.199SC..EExtended strand (participates in β ladder)trans-138.3157.5170.967.5-179.4147.400111.2I250 F293E241-I250 HydrophobicContact CG-CB 3.82Å; E241-I250 HydrophobicContact CG-CG1 4.44Å; E241-I250 HydrophobicContact CG-CG2 4.4Å; E241-I250 PolarHBondContact N-O 3.36Å; E241-I250 PolarHBondContact O-N 2.89Å; E241-F293 WeakPolarHBondContact OE1-CD1 3.39Å
242V97.6Very high94.2Very high28 Ų2835.4 Ų35.417%0.1718%0.18CC..EExtended strand (participates in β ladder)trans-110.4132172.2172.40000108A179 P182 F188 L248 L249 L268A179-V242 HydrophobicContact CB-CB 4.49Å; A179-V242 HydrophobicContact CB-CG2 3.96Å; P182-V242 HydrophobicContact CG-CG1 4.36Å; F188-V242 HydrophobicContact CD2-CG2 4.13Å; F188-V242 HydrophobicContact CE2-CG2 4.49Å; V242-L248 CarbonylContact C-O 3.5Å; V242-L248 VanDerWaalsContact CA-O 3.3Å; V242-L248 WeakPolarHBondContact CA-O 3.17Å; V242-L249 HydrophobicContact CG2-CD1 3.81Å; V242-L268 HydrophobicContact CG1-CD1 3.87Å; V242-L268 HydrophobicContact CG2-CD1 4.1Å
243S96.5Very high94.5Very high4 Ų428.8 Ų28.83%0.02815%0.15CC..  trans-60.6147.7178.258.60000111.1D245 G246 E247 L248S243-D245 VanDerWaalsContact CB-OD1 3.3Å; S243-D245 WeakPolarHBondContact CB-OD1 3.45Å; S243-D245 PolarHBondContact O-N 3.29Å; S243-D245 VanDerWaalsContact O-N 3.13Å; S243-D245 PolarHBondContact OG-OD1 2.92Å; S243-G246 VanDerWaalsContact O-CA 3.3Å; S243-G246 WeakPolarHBondContact O-CA 3.41Å; S243-G246 PolarHBondContact O-N 2.9Å; S243-E247 PolarHBondContact OG-N 2.82Å; S243-L248 PolarHBondContact N-O 3.44Å; S243-L248 WeakPolarHBondContact OG-CB 3.46Å; S243-L248 PolarHBondContact OG-N 3.06Å; S243-L248 PolarHBondContact OG-O 3.24Å
244E93.8Very high94.9Very high67 Ų6729 Ų2931%0.31315%0.152SC..THydrogen-bonded Turntrans-64.4-21.5-173.8-65.4-175.8174.500114.4R136 S390 Y391R136-E244 PolarHBondContact NH2-O 3.18Å; E244-S390 WeakPolarHBondContact OE2-CA 3.41Å; E244-S390 WeakPolarHBondContact OE2-CB 3.44Å; E244-S390 PolarHBondContact OE2-N 3.41Å; E244-S390 PolarHBondContact OE2-OG 3.38Å; E244-Y391 HydrophobicContact CB-CE1 4.45Å
245D92.6Very high95Very high62 Ų6231.2 Ų31.233%0.33216%0.158SC..THydrogen-bonded Turntrans-73.8-16.217060.96.5000112.6R136 S243 E247R136-D245 PolarHBondContact NH1-O 3.09Å; R136-D245 PolarHBondContact NH2-O 3.23Å; S243-D245 VanDerWaalsContact CB-OD1 3.3Å; S243-D245 WeakPolarHBondContact CB-OD1 3.45Å; S243-D245 PolarHBondContact O-N 3.29Å; S243-D245 VanDerWaalsContact O-N 3.13Å; S243-D245 PolarHBondContact OG-OD1 2.92Å; D245-E247 PolarHBondContact OD1-N 2.99Å; D245-E247 VanDerWaalsContact OD1-N 3.07Å
246G94.1Very high94.8Very high6 Ų629.7 Ų29.76%0.06215%0.151CC..SBendtrans82.210.5-179.900000114P182 S243P182-G246 WeakPolarHBondContact CG-O 3.42Å; S243-G246 VanDerWaalsContact O-CA 3.3Å; S243-G246 WeakPolarHBondContact O-CA 3.41Å; S243-G246 PolarHBondContact O-N 2.9Å
247E94.7Very high94.6Very high71 Ų7131.9 Ų31.933%0.33217%0.166SC..  trans-92.9-26.9-172.8-73.4-64.7140.300113.5S243 D245 R267 L268 S269S243-E247 PolarHBondContact OG-N 2.82Å; D245-E247 PolarHBondContact OD1-N 2.99Å; D245-E247 VanDerWaalsContact OD1-N 3.07Å; E247-R267 CarbonylContact O-C 3.57Å; E247-R267 WeakPolarHBondContact O-CA 3.47Å; E247-L268 PolarHBondContact O-N 2.8Å; E247-S269 WeakPolarHBondContact OE2-CB 3.49Å; E247-S269 PolarHBondContact OE2-OG 3.03Å
248L96.5Very high94.3Very high16 Ų1631.9 Ų31.98%0.08417%0.17CC..EExtended strand (participates in β ladder)trans-119.7132.9-171.7-52.7175.2000111.5V242 S243 I250 Y265 G266 R267 V296 L301V242-L248 CarbonylContact C-O 3.5Å; V242-L248 VanDerWaalsContact CA-O 3.3Å; V242-L248 WeakPolarHBondContact CA-O 3.17Å; S243-L248 PolarHBondContact N-O 3.44Å; S243-L248 WeakPolarHBondContact OG-CB 3.46Å; S243-L248 PolarHBondContact OG-N 3.06Å; S243-L248 PolarHBondContact OG-O 3.24Å; L248-I250 HydrophobicContact CB-CD1 3.99Å; L248-I250 HydrophobicContact CB-CG1 4.44Å; L248-I250 HydrophobicContact CD1-CD1 4.37Å; L248-Y265 HydrophobicContact CD2-CD2 4.2Å; L248-G266 CarbonylContact C-O 3.59Å; L248-G266 VanDerWaalsContact CA-O 3.31Å; L248-G266 WeakPolarHBondContact CA-O 3.18Å; L248-R267 HydrophobicContact CD2-CG 3.99Å; L248-V296 HydrophobicContact CD1-CG2 3.99Å; L248-L301 HydrophobicContact CD1-CD2 3.34Å
249L98Very high93.8Very high0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-87.8126.1155.8-17172.4000107.1F188 V240 V242 Y265 G266 L268 V278 V280F188-L249 HydrophobicContact CB-CD1 4.07Å; F188-L249 HydrophobicContact CD1-CD1 3.97Å; F188-L249 HydrophobicContact CD1-CD2 3.98Å; F188-L249 HydrophobicContact CD2-CD1 3.63Å; F188-L249 HydrophobicContact CE1-CD1 4.33Å; F188-L249 HydrophobicContact CE1-CD2 3.99Å; F188-L249 HydrophobicContact CE2-CD1 4.02Å; F188-L249 HydrophobicContact CG-CD1 3.6Å; F188-L249 HydrophobicContact CG-CD2 4.46Å; F188-L249 HydrophobicContact CZ-CD1 4.35Å; F188-L249 HydrophobicContact CZ-CD2 4.48Å; V240-L249 HydrophobicContact CG2-CD1 3.39Å; V240-L249 HydrophobicContact CG2-CD2 4.35Å; V240-L249 HydrophobicContact CG2-CG 3.89Å; V242-L249 HydrophobicContact CG2-CD1 3.81Å; L249-Y265 CarbonylContact O-C 3.56Å; L249-Y265 WeakPolarHBondContact O-CA 3.27Å; L249-G266 PolarHBondContact N-O 3Å; L249-G266 PolarHBondContact O-N 3.46Å; L249-L268 HydrophobicContact CB-CD2 4.22Å; L249-L268 HydrophobicContact CB-CG 4.41Å; L249-V278 HydrophobicContact CD2-CG1 3.75Å; L249-V280 HydrophobicContact CD2-CG2 4.11Å
250I98.4Very high93.6Very high0 Ų031.8 Ų31.80%017%0.173CC..EExtended strand (participates in β ladder)trans-111.4127.8174.8-54.9-61.3000107.8V240 E241 L248 I263 F293V240-I250 WeakPolarHBondContact CA-O 3.27Å; E241-I250 HydrophobicContact CG-CB 3.82Å; E241-I250 HydrophobicContact CG-CG1 4.44Å; E241-I250 HydrophobicContact CG-CG2 4.4Å; E241-I250 PolarHBondContact N-O 3.36Å; E241-I250 PolarHBondContact O-N 2.89Å; L248-I250 HydrophobicContact CB-CD1 3.99Å; L248-I250 HydrophobicContact CB-CG1 4.44Å; L248-I250 HydrophobicContact CD1-CD1 4.37Å; I250-I263 HydrophobicContact CG2-CG2 4.23Å; I250-F293 HydrophobicContact CD1-CD2 4.48Å; I250-F293 HydrophobicContact CD1-CE2 4.36Å; I250-F293 HydrophobicContact CD1-CZ 4.47Å; I250-F293 HydrophobicContact CG1-CD1 4Å; I250-F293 HydrophobicContact CG1-CD2 4.42Å; I250-F293 HydrophobicContact CG1-CE1 3.97Å; I250-F293 HydrophobicContact CG1-CE2 4.4Å; I250-F293 HydrophobicContact CG1-CG 4.21Å; I250-F293 HydrophobicContact CG1-CZ 4.16Å; I250-F293 HydrophobicContact CG2-CB 4.26Å; I250-F293 HydrophobicContact CG2-CG 4.39Å
251C98.4Very high93.5Very high0 Ų031.7 Ų31.70%017%0.172CC..EExtended strand (participates in β ladder)trans-115.3116.6174.6-570000108.6F228 I238 E239 F264F228-C251 HydrophobicContact CD1-CB 3.91Å; F228-C251 HydrophobicContact CE1-CB 3.89Å; I238-C251 HydrophobicContact CG2-CB 4.19Å; E239-C251 CarbonylContact O-C 3.55Å; E239-C251 WeakPolarHBondContact O-CA 3.37Å; C251-F264 HydrophobicContact CB-CB 4.23Å; C251-F264 PolarHBondContact N-O 3.33Å; C251-F264 PolarHBondContact O-N 2.81Å
252T98.1Very high93.5Very high21 Ų2129.9 Ų29.913%0.12916%0.164CC..EExtended strand (participates in β ladder)trans-96.6117.5175.1-65.40000108.4I238 E239 N261 I263I238-T252 CarbonylContact C-O 3.56Å; I238-T252 WeakPolarHBondContact CA-O 3.44Å; E239-T252 PolarHBondContact N-O 2.93Å; E239-T252 PolarHBondContact O-N 2.88Å; T252-N261 HydrophobicContact CG2-CB 4.08Å; T252-N261 WeakPolarHBondContact CG2-ND2 3.44Å; T252-I263 HydrophobicContact CG2-CD1 4.17Å; T252-I263 VanDerWaalsContact OG1-CD1 3.32Å; T252-I263 WeakPolarHBondContact OG1-CD1 3.49Å
253V97.2Very high93.5Very high3 Ų328.6 Ų28.62%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-109.7121.9-177.9-176.90000109.6F228 V230 A236 L237 I238 N261 Q262 F264F228-V253 HydrophobicContact CE1-CG2 3.73Å; F228-V253 HydrophobicContact CZ-CG2 4.14Å; V230-V253 HydrophobicContact CG2-CG1 4.03Å; V230-V253 HydrophobicContact CG2-CG2 4.12Å; A236-V253 HydrophobicContact CB-CG1 3.93Å; L237-V253 CarbonylContact O-C 3.51Å; L237-V253 WeakPolarHBondContact O-CA 3.16Å; I238-V253 HydrophobicContact CG1-CG2 4.2Å; I238-V253 HydrophobicContact CG2-CG2 4.29Å; V253-N261 CarbonylContact O-C 3.59Å; V253-N261 VanDerWaalsContact O-CA 3.23Å; V253-N261 WeakPolarHBondContact O-CA 3.42Å; V253-N261 VanDerWaalsContact O-CB 3.3Å; V253-N261 WeakPolarHBondContact O-CB 3.03Å; V253-Q262 HydrophobicContact CB-CB 4.23Å; V253-Q262 PolarHBondContact N-O 3.4Å; V253-Q262 PolarHBondContact O-N 2.67Å; V253-F264 HydrophobicContact CB-CE2 4.29Å; V253-F264 HydrophobicContact CG2-CD2 3.74Å; V253-F264 HydrophobicContact CG2-CE2 3.78Å
254T94.8Very high93.6Very high31 Ų3129.4 Ų29.419%0.1916%0.158CC..EExtended strand (participates in β ladder)trans-117137.2177.134.30000110.3A236 L237 G256 N261A236-T254 WeakPolarHBondContact CA-O 3.46Å; L237-T254 PolarHBondContact N-O 3.32Å; L237-T254 PolarHBondContact O-N 2.93Å; L237-T254 PolarHBondContact O-OG1 3.34Å; T254-G256 PolarHBondContact O-N 3.47Å; T254-N261 HydrophobicContact CG2-CB 3.66Å
255K89.3Confident93.8Very high81 Ų8127.6 Ų27.635%0.35215%0.149SC..EExtended strand (participates in β ladder)trans-82.1104.3168.6-171.7-178.5-16778.10108.7D233 C257 A258 T603D233-K255 IonicContact OD1-NZ 3.98Å; D233-K255 PolarHBondContact OD1-NZ 3.06Å; D233-K255 WeakPolarHBondContact OD2-CG 3.37Å; D233-K255 IonicContact OD2-NZ 2.63Å; D233-K255 PolarHBondContact OD2-NZ 2.74Å; K255-C257 PolarHBondContact O-N 3.17Å; K255-A258 VanDerWaalsContact O-CB 3.25Å; K255-A258 WeakPolarHBondContact O-CB 3.25Å; K255-A258 PolarHBondContact O-N 3.31Å; K255-A258 VanDerWaalsContact O-N 3.12Å; K255-T603 WeakPolarHBondContact O-CG2 3.4Å
256G82.1Confident93.9Very high7 Ų724.7 Ų24.77%0.07213%0.134CC..THydrogen-bonded Turntrans53-130.2-17500000113.2D235 T254 A600D235-G256 PolarHBondContact O-N 2.93Å; T254-G256 PolarHBondContact O-N 3.47Å; G256-A600 WeakPolarHBondContact CA-O 3.47Å
257C85.5Confident94Very high49 Ų4930 Ų3033%0.33115%0.152SC..THydrogen-bonded Turntrans-9726176.6-59.80000114.2K255 F482 A600 W601 T603K255-C257 PolarHBondContact O-N 3.17Å; C257-F482 HydrophobicContact CB-CD1 3.64Å; C257-F482 HydrophobicContact CB-CE1 3.78Å; C257-A600 PolarHBondContact N-O 3.41Å; C257-W601 VanDerWaalsContact SG-CD1 3.6Å; C257-T603 PolarHBondContact N-OG1 2.79Å
258A84.6Confident94.1Very high29 Ų2927.1 Ų27.124%0.2414%0.139CC..  trans-59.2144.5176.400000111.4K255 K260 T603K255-A258 VanDerWaalsContact O-CB 3.25Å; K255-A258 WeakPolarHBondContact O-CB 3.25Å; K255-A258 PolarHBondContact O-N 3.31Å; K255-A258 VanDerWaalsContact O-N 3.12Å; A258-K260 PolarHBondContact O-N 3.25Å; A258-K260 VanDerWaalsContact O-N 3.16Å; A258-T603 HydrophobicContact CB-CG2 4.13Å; A258-T603 PolarHBondContact N-OG1 2.87Å
259S84.6Confident93.9Very high38 Ų3828.4 Ų28.427%0.26615%0.149SC..SBendtrans-74.33.3173.255.20000113.8K290S259-K290 WeakPolarHBondContact O-CB 3.22Å
260K93.3Very high93.6Very high76 Ų7634.7 Ų34.733%0.3318%0.178SC..  trans-124.1148.9-175.5-53.7-173.4-176.2-169.70109.4A258 L287 D288 G289A258-K260 PolarHBondContact O-N 3.25Å; A258-K260 VanDerWaalsContact O-N 3.16Å; K260-L287 WeakPolarHBondContact CD-O 3.47Å; K260-L287 PolarHBondContact NZ-O 3.08Å; K260-D288 WeakPolarHBondContact CE-O 3.41Å; K260-D288 PolarHBondContact NZ-O 2.87Å; K260-G289 VanDerWaalsContact CA-O 3.31Å; K260-G289 WeakPolarHBondContact CA-O 3.33Å; K260-G289 WeakPolarHBondContact CB-O 3.36Å
261N96.4Very high93.3Very high5 Ų536 Ų363%0.02719%0.187CC..EExtended strand (participates in β ladder)trans-145.7159.5-174.465.2-69.1000111.5T252 V253 T254 I263 G289 K290 Y291T252-N261 HydrophobicContact CG2-CB 4.08Å; T252-N261 WeakPolarHBondContact CG2-ND2 3.44Å; V253-N261 CarbonylContact O-C 3.59Å; V253-N261 VanDerWaalsContact O-CA 3.23Å; V253-N261 WeakPolarHBondContact O-CA 3.42Å; V253-N261 VanDerWaalsContact O-CB 3.3Å; V253-N261 WeakPolarHBondContact O-CB 3.03Å; T254-N261 HydrophobicContact CG2-CB 3.66Å; N261-I263 WeakPolarHBondContact ND2-CD1 3.42Å; N261-G289 PolarHBondContact N-O 2.9Å; N261-K290 VanDerWaalsContact OD1-CA 3.23Å; N261-K290 WeakPolarHBondContact OD1-CA 3.21Å; N261-Y291 PolarHBondContact ND2-O 3.08Å; N261-Y291 PolarHBondContact OD1-N 2.71Å
262Q97Very high92.8Very high34 Ų3442.3 Ų42.316%0.15921%0.211CC..EExtended strand (participates in β ladder)trans-96.3155.9165.2-56173.5-5800108.7V253 F264 F284 T285 L287V253-Q262 HydrophobicContact CB-CB 4.23Å; V253-Q262 PolarHBondContact N-O 3.4Å; V253-Q262 PolarHBondContact O-N 2.67Å; Q262-F264 HydrophobicContact CB-CD2 4.39Å; Q262-F264 HydrophobicContact CB-CE2 3.75Å; Q262-F284 CarbonylContact C-O 3.42Å; Q262-F284 WeakPolarHBondContact CA-O 3.38Å; Q262-F284 VanDerWaalsContact CB-O 3.23Å; Q262-F284 WeakPolarHBondContact CB-O 3.42Å; Q262-T285 PolarHBondContact NE2-O 3.13Å; Q262-L287 HydrophobicContact CG-CD2 3.75Å; Q262-L287 HydrophobicContact CG-CG 4.24Å
263I97.9Very high92.4Very high0 Ų049 Ų490%025%0.246CC..EExtended strand (participates in β ladder)trans-125.2131172.9-61.3-66.6000108.6I250 T252 N261 L283 F284 Y291 F303I250-I263 HydrophobicContact CG2-CG2 4.23Å; T252-I263 HydrophobicContact CG2-CD1 4.17Å; T252-I263 VanDerWaalsContact OG1-CD1 3.32Å; T252-I263 WeakPolarHBondContact OG1-CD1 3.49Å; N261-I263 WeakPolarHBondContact ND2-CD1 3.42Å; I263-L283 HydrophobicContact CB-CB 4.34Å; I263-L283 HydrophobicContact CB-CD2 4.47Å; I263-L283 HydrophobicContact CG2-CB 4.05Å; I263-L283 HydrophobicContact CG2-CD2 3.77Å; I263-L283 WeakPolarHBondContact O-CA 3.47Å; I263-L283 WeakPolarHBondContact O-CB 3.36Å; I263-L283 PolarHBondContact O-N 3.27Å; I263-F284 HydrophobicContact CB-CB 4.31Å; I263-F284 HydrophobicContact CB-CD2 3.81Å; I263-F284 HydrophobicContact CB-CG 4.49Å; I263-F284 HydrophobicContact CG1-CD2 3.87Å; I263-F284 PolarHBondContact N-O 3.49Å; I263-F284 PolarHBondContact O-N 2.83Å; I263-Y291 WeakPolarHBondContact CD1-O 3.2Å; I263-F303 HydrophobicContact CD1-CE1 4.4Å; I263-F303 HydrophobicContact CG1-CE1 4.11Å; I263-F303 HydrophobicContact CG2-CE1 4.33Å; I263-F303 HydrophobicContact CG2-CZ 4.18Å
264F98Very high92.1Very high21 Ų2151.5 Ų51.59%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-120.8158.1168.8-60-107.4000109.3F228 C251 V253 Q262 V280 L281 P282 T285F228-F264 HydrophobicContact CE1-CD2 4.25Å; F228-F264 HydrophobicContact CE1-CG 4.35Å; F228-F264 HydrophobicContact CE2-CB 4.43Å; F228-F264 AromaticContact CE2-CD1 3.83Å; F228-F264 HydrophobicContact CE2-CD1 3.83Å; F228-F264 HydrophobicContact CE2-CE1 4.17Å; F228-F264 HydrophobicContact CE2-CG 4.03Å; F228-F264 HydrophobicContact CZ-CB 4.09Å; F228-F264 AromaticContact CZ-CD1 3.76Å; F228-F264 HydrophobicContact CZ-CD1 3.76Å; F228-F264 AromaticContact CZ-CD2 3.64Å; F228-F264 HydrophobicContact CZ-CD2 3.64Å; F228-F264 HydrophobicContact CZ-CE1 4.05Å; F228-F264 AromaticContact CZ-CE2 3.93Å; F228-F264 HydrophobicContact CZ-CE2 3.93Å; F228-F264 AromaticContact CZ-CG 3.57Å; F228-F264 HydrophobicContact CZ-CG 3.57Å; F228-F264 HydrophobicContact CZ-CZ 4.13Å; C251-F264 HydrophobicContact CB-CB 4.23Å; C251-F264 PolarHBondContact N-O 3.33Å; C251-F264 PolarHBondContact O-N 2.81Å; V253-F264 HydrophobicContact CB-CE2 4.29Å; V253-F264 HydrophobicContact CG2-CD2 3.74Å; V253-F264 HydrophobicContact CG2-CE2 3.78Å; Q262-F264 HydrophobicContact CB-CD2 4.39Å; Q262-F264 HydrophobicContact CB-CE2 3.75Å; F264-V280 HydrophobicContact CB-CG1 3.5Å; F264-V280 VanDerWaalsContact CB-CG1 3.5Å; F264-V280 HydrophobicContact CG-CG1 4.4Å; F264-L281 CarbonylContact C-O 2.99Å; F264-L281 VanDerWaalsContact CA-O 3.22Å; F264-L281 WeakPolarHBondContact CA-O 3.44Å; F264-L281 WeakPolarHBondContact CB-O 3.36Å; F264-P282 VanDerWaalsContact CD1-CA 3.48Å; F264-P282 HydrophobicContact CD1-CB 3.99Å; F264-P282 HydrophobicContact CE1-CB 3.88Å; F264-T285 HydrophobicContact CE1-CG2 4.42Å; F264-T285 HydrophobicContact CZ-CG2 4.21Å
265Y97.5Very high92Very high29 Ų2950.4 Ų50.411%0.11426%0.257CS..EExtended strand (participates in β ladder)trans-147.2149.6179.279.8-69.2000112.7L248 L249 L281 L283 A319L248-Y265 HydrophobicContact CD2-CD2 4.2Å; L249-Y265 CarbonylContact O-C 3.56Å; L249-Y265 WeakPolarHBondContact O-CA 3.27Å; Y265-L281 HydrophobicContact CD1-CB 4.48Å; Y265-L281 HydrophobicContact CE1-CB 4.16Å; Y265-L281 PolarHBondContact N-O 3.3Å; Y265-L281 PolarHBondContact O-N 3.43Å; Y265-L283 HydrophobicContact CD1-CB 3.92Å; Y265-L283 HydrophobicContact CD1-CD1 4.22Å; Y265-L283 HydrophobicContact CE1-CB 4.38Å; Y265-L283 HydrophobicContact CE1-CD1 4.09Å; Y265-A319 HydrophobicContact CE2-CB 4.28Å
266G96.4Very high92.2Very high1 Ų146.8 Ų46.81%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-128.5148.4173.100000111.1L248 L249 R279L248-G266 CarbonylContact C-O 3.59Å; L248-G266 VanDerWaalsContact CA-O 3.31Å; L248-G266 WeakPolarHBondContact CA-O 3.18Å; L249-G266 PolarHBondContact N-O 3Å; L249-G266 PolarHBondContact O-N 3.46Å; G266-R279 WeakPolarHBondContact CA-O 3.45Å
267R96Very high92.8Very high119 Ų11950.1 Ų50.145%0.44927%0.265SS..EExtended strand (participates in β ladder)trans-96.3109175.7-71.2-171.9177.4-166.81.4110.5E247 L248 S269 Q270E247-R267 CarbonylContact O-C 3.57Å; E247-R267 WeakPolarHBondContact O-CA 3.47Å; L248-R267 HydrophobicContact CD2-CG 3.99Å; R267-S269 VanDerWaalsContact C-N 3.27Å; R267-S269 PolarHBondContact O-N 2.98Å; R267-Q270 HydrophobicContact CB-CG 4Å; R267-Q270 WeakPolarHBondContact O-CB 3.1Å; R267-Q270 PolarHBondContact O-N 3.43Å; R267-Q270 VanDerWaalsContact O-N 3.16Å
268L95.8Very high93.3Very high10 Ų1048 Ų485%0.05225%0.251CS..G310 helixtrans-67.5-27.8-176.7-66177.5000112.7P182 F188 V242 E247 L249 Q270 C271 R272 V278P182-L268 HydrophobicContact CG-CD1 3.96Å; F188-L268 HydrophobicContact CE2-CD1 4.41Å; F188-L268 HydrophobicContact CE2-CD2 3.82Å; F188-L268 HydrophobicContact CZ-CD2 3.6Å; V242-L268 HydrophobicContact CG1-CD1 3.87Å; V242-L268 HydrophobicContact CG2-CD1 4.1Å; E247-L268 PolarHBondContact O-N 2.8Å; L249-L268 HydrophobicContact CB-CD2 4.22Å; L249-L268 HydrophobicContact CB-CG 4.41Å; L268-Q270 PolarHBondContact O-N 2.85Å; L268-Q270 VanDerWaalsContact O-N 3.15Å; L268-C271 CarbonylContact O-C 3.58Å; L268-C271 PolarHBondContact O-N 3.28Å; L268-C271 VanDerWaalsContact O-N 3.09Å; L268-R272 PolarHBondContact O-N 3.27Å; L268-V278 HydrophobicContact CD2-CB 4.18Å; L268-V278 HydrophobicContact CD2-CG1 4.39Å; L268-V278 HydrophobicContact CD2-CG2 4.07Å
269S92Very high93.8Very high43 Ų4355.3 Ų55.330%0.30127%0.272SS..G310 helixtrans-61.6-19.8174.243.20000114.2E247 R267 C271E247-S269 WeakPolarHBondContact OE2-CB 3.49Å; E247-S269 PolarHBondContact OE2-OG 3.03Å; R267-S269 VanDerWaalsContact C-N 3.27Å; R267-S269 PolarHBondContact O-N 2.98Å; S269-C271 VanDerWaalsContact C-N 3.35Å
270Q92.3Very high94.4Very high131 Ų13154.6 Ų54.661%0.61227%0.266SS*.G310 helixtrans-81.5-14.6177.4-63.1-179-14.900113.2R267 L268R267-Q270 HydrophobicContact CB-CG 4Å; R267-Q270 WeakPolarHBondContact O-CB 3.1Å; R267-Q270 PolarHBondContact O-N 3.43Å; R267-Q270 VanDerWaalsContact O-N 3.16Å; L268-Q270 PolarHBondContact O-N 2.85Å; L268-Q270 VanDerWaalsContact O-N 3.15Å
271C91.9Very high94.5Very high27 Ų2753.9 Ų53.918%0.18227%0.265CS..G310 helixtrans-13437-173.1-57.40000111.4L268 S269 D273 S274 P275 S277L268-C271 CarbonylContact O-C 3.58Å; L268-C271 PolarHBondContact O-N 3.28Å; L268-C271 VanDerWaalsContact O-N 3.09Å; S269-C271 VanDerWaalsContact C-N 3.35Å; C271-D273 VanDerWaalsContact C-N 3.26Å; C271-D273 PolarHBondContact O-N 2.57Å; C271-D273 VanDerWaalsContact O-N 3.15Å; C271-S274 WeakPolarHBondContact CB-O 3.33Å; C271-S274 CarbonylContact O-C 3.58Å; C271-S274 PolarHBondContact O-N 2.98Å; C271-P275 WeakPolarHBondContact O-CA 3.47Å; C271-P275 VanDerWaalsContact O-N 3.11Å; C271-S277 PolarHBondContact SG-O 2.88Å
272R87.5Confident94.5Very high134 Ų13457.3 Ų57.351%0.50629%0.288SS..THydrogen-bonded Turntrans-54.3-37.9-173.5-74.2-175177-174.1-0.6113.9F183 R185 L268F183-R272 HydrophobicContact CE2-CG 4.47Å; R185-R272 VanDerWaalsContact CZ-O 3.22Å; R185-R272 PolarHBondContact NH1-O 3.46Å; R185-R272 PolarHBondContact NH2-O 3.38Å; L268-R272 PolarHBondContact O-N 3.27Å
273D89.3Confident94.5Very high160 Ų16056.3 Ų56.386%0.85628%0.283SS*.THydrogen-bonded Turntrans-81.9-18.5-178.2-58.9-39.5000113.1C271C271-D273 VanDerWaalsContact C-N 3.26Å; C271-D273 PolarHBondContact O-N 2.57Å; C271-D273 VanDerWaalsContact O-N 3.15Å
274S92.8Very high94.4Very high57 Ų5756.9 Ų56.940%0.39929%0.286SS..  trans-143.677.6177.7-174.70000109.9C271 G276 S277C271-S274 WeakPolarHBondContact CB-O 3.33Å; C271-S274 CarbonylContact O-C 3.58Å; C271-S274 PolarHBondContact O-N 2.98Å; S274-G276 PolarHBondContact O-N 3.47Å; S274-S277 WeakPolarHBondContact O-CB 3.35Å; S274-S277 PolarHBondContact O-N 2.89Å; S274-S277 PolarHBondContact OG-OG 3.48Å
275P92.1Very high94.2Very high8 Ų859.2 Ų59.25%0.05230%0.302CS..G310 helixtrans-57.3-32.8-175.5-27.536.7000113.4E181 F188 Y214 C271 S277 V278E181-P275 HydrophobicContact CG-CB 3.76Å; E181-P275 HydrophobicContact CG-CG 3.67Å; F188-P275 HydrophobicContact CZ-CB 3.99Å; F188-P275 WeakPolarHBondContact CZ-O 3.47Å; Y214-P275 HydrophobicContact CD2-CB 4.44Å; Y214-P275 HydrophobicContact CE1-CB 4.35Å; Y214-P275 HydrophobicContact CE2-CB 3.92Å; C271-P275 WeakPolarHBondContact O-CA 3.47Å; C271-P275 VanDerWaalsContact O-N 3.11Å; P275-S277 PolarHBondContact O-N 3.38Å; P275-V278 WeakPolarHBondContact O-CB 3.49Å; P275-V278 WeakPolarHBondContact O-CG1 3.5Å; P275-V278 PolarHBondContact O-N 3.31Å; P275-V278 VanDerWaalsContact O-N 3.13Å
276G92.4Very high94Very high4 Ų463.3 Ų63.34%0.04132%0.322CS..G310 helixtrans-64.4-14.8174.500000114.9C227 S274 V278C227-G276 PolarHBondContact SG-O 3.31Å; C227-G276 VanDerWaalsContact SG-O 3.33Å; S274-G276 PolarHBondContact O-N 3.47Å; G276-V278 VanDerWaalsContact C-N 3.28Å
277S95.2Very high93.8Very high77 Ų7767 Ų6754%0.53834%0.341SS..G310 helixtrans-89.511.8174.8-56.50000113C271 S274 P275 R279C271-S277 PolarHBondContact SG-O 2.88Å; S274-S277 WeakPolarHBondContact O-CB 3.35Å; S274-S277 PolarHBondContact O-N 2.89Å; S274-S277 PolarHBondContact OG-OG 3.48Å; P275-S277 PolarHBondContact O-N 3.38Å; S277-R279 PolarHBondContact O-N 2.93Å
278V95.9Very high93.6Very high6 Ų663.2 Ų63.24%0.03633%0.33CS..  trans-58.2126.7-179.461.80000111.1F188 L249 L268 P275 G276 V280F188-V278 HydrophobicContact CE1-CG1 3.9Å; F188-V278 HydrophobicContact CZ-CG1 4.22Å; L249-V278 HydrophobicContact CD2-CG1 3.75Å; L268-V278 HydrophobicContact CD2-CB 4.18Å; L268-V278 HydrophobicContact CD2-CG1 4.39Å; L268-V278 HydrophobicContact CD2-CG2 4.07Å; P275-V278 WeakPolarHBondContact O-CB 3.49Å; P275-V278 WeakPolarHBondContact O-CG1 3.5Å; P275-V278 PolarHBondContact O-N 3.31Å; P275-V278 VanDerWaalsContact O-N 3.13Å; G276-V278 VanDerWaalsContact C-N 3.28Å; V278-V280 HydrophobicContact CG1-CG2 4.37Å; V278-V280 PolarHBondContact O-N 3.41Å
279R95.7Very high93.5Very high181 Ų18162.9 Ų62.968%0.68333%0.329SS*.  trans-78.1110.7173.5-173.8177.5179.8-172.3-2.1109.9G266 S277 L281G266-R279 WeakPolarHBondContact CA-O 3.45Å; S277-R279 PolarHBondContact O-N 2.93Å; R279-L281 HydrophobicContact CG-CD2 4.08Å; R279-L281 HydrophobicContact CG-CG 4.45Å
280V96.6Very high93.7Very high23 Ų2364.7 Ų64.714%0.13933%0.331CS..EExtended strand (participates in β ladder)trans-86.4130174.7-179.80000109.9F228 L249 F264 V278F228-V280 HydrophobicContact CB-CB 4.28Å; F228-V280 HydrophobicContact CB-CG1 4.44Å; F228-V280 HydrophobicContact CB-CG2 4.02Å; F228-V280 HydrophobicContact CD1-CG1 4.46Å; F228-V280 HydrophobicContact CD2-CB 3.79Å; F228-V280 HydrophobicContact CD2-CG1 3.56Å; F228-V280 HydrophobicContact CD2-CG2 4.45Å; F228-V280 HydrophobicContact CE2-CB 4.46Å; F228-V280 HydrophobicContact CE2-CG1 3.84Å; F228-V280 HydrophobicContact CG-CB 4.18Å; F228-V280 HydrophobicContact CG-CG1 3.9Å; F228-V280 HydrophobicContact CG-CG2 4.38Å; F228-V280 HydrophobicContact CZ-CG1 4.41Å; L249-V280 HydrophobicContact CD2-CG2 4.11Å; F264-V280 HydrophobicContact CB-CG1 3.5Å; F264-V280 VanDerWaalsContact CB-CG1 3.5Å; F264-V280 HydrophobicContact CG-CG1 4.4Å; V278-V280 HydrophobicContact CG1-CG2 4.37Å; V278-V280 PolarHBondContact O-N 3.41Å
281L95.5Very high93.9Very high61 Ų6158.8 Ų58.832%0.31930%0.303SS..EExtended strand (participates in β ladder)trans-122.7147.3-174.9-63.7176.3000110.7F264 Y265 R279F264-L281 CarbonylContact C-O 2.99Å; F264-L281 VanDerWaalsContact CA-O 3.22Å; F264-L281 WeakPolarHBondContact CA-O 3.44Å; F264-L281 WeakPolarHBondContact CB-O 3.36Å; Y265-L281 HydrophobicContact CD1-CB 4.48Å; Y265-L281 HydrophobicContact CE1-CB 4.16Å; Y265-L281 PolarHBondContact N-O 3.3Å; Y265-L281 PolarHBondContact O-N 3.43Å; R279-L281 HydrophobicContact CG-CD2 4.08Å; R279-L281 HydrophobicContact CG-CG 4.45Å
282P95.7Very high94.1Very high77 Ų7759.8 Ų59.850%0.531%0.305SS..EExtended strand (participates in β ladder)trans-65.6136.9175.226.7-33.4000111.6F264 T285F264-P282 VanDerWaalsContact CD1-CA 3.48Å; F264-P282 HydrophobicContact CD1-CB 3.99Å; F264-P282 HydrophobicContact CE1-CB 3.88Å; P282-T285 HydrophobicContact CB-CG2 3.43Å; P282-T285 VanDerWaalsContact CB-CG2 3.43Å
283L97.1Very high94.6Very high13 Ų1354.2 Ų54.27%0.06829%0.285CS..EExtended strand (participates in β ladder)trans-110.1-53.9168.9-173.271000110.7I263 Y265 L301 F303 A319 P322I263-L283 HydrophobicContact CB-CB 4.34Å; I263-L283 HydrophobicContact CB-CD2 4.47Å; I263-L283 HydrophobicContact CG2-CB 4.05Å; I263-L283 HydrophobicContact CG2-CD2 3.77Å; I263-L283 WeakPolarHBondContact O-CA 3.47Å; I263-L283 WeakPolarHBondContact O-CB 3.36Å; I263-L283 PolarHBondContact O-N 3.27Å; Y265-L283 HydrophobicContact CD1-CB 3.92Å; Y265-L283 HydrophobicContact CD1-CD1 4.22Å; Y265-L283 HydrophobicContact CE1-CB 4.38Å; Y265-L283 HydrophobicContact CE1-CD1 4.09Å; L283-L301 HydrophobicContact CD1-CD1 4.44Å; L283-L301 HydrophobicContact CD2-CD1 3.73Å; L283-F303 HydrophobicContact CD2-CE2 3.88Å; L283-F303 HydrophobicContact CD2-CZ 3.69Å; L283-A319 HydrophobicContact CD1-CB 4.13Å; L283-P322 HydrophobicContact CD1-CB 3.62Å; L283-P322 HydrophobicContact CD1-CG 4.34Å; L283-P322 HydrophobicContact CG-CB 4.27Å
284F96.5Very high95Very high12 Ų1247 Ų475%0.05325%0.247CC..EExtended strand (participates in β ladder)trans-129.6115.3174.7-55.6-54.3000108.6Q262 I263 Y291 F303 V317 P322 F327Q262-F284 CarbonylContact C-O 3.42Å; Q262-F284 WeakPolarHBondContact CA-O 3.38Å; Q262-F284 VanDerWaalsContact CB-O 3.23Å; Q262-F284 WeakPolarHBondContact CB-O 3.42Å; I263-F284 HydrophobicContact CB-CB 4.31Å; I263-F284 HydrophobicContact CB-CD2 3.81Å; I263-F284 HydrophobicContact CB-CG 4.49Å; I263-F284 HydrophobicContact CG1-CD2 3.87Å; I263-F284 PolarHBondContact N-O 3.49Å; I263-F284 PolarHBondContact O-N 2.83Å; F284-Y291 HydrophobicContact CB-CD1 4.47Å; F284-Y291 HydrophobicContact CB-CD2 4.18Å; F284-Y291 HydrophobicContact CB-CE1 4.44Å; F284-Y291 HydrophobicContact CB-CE2 4.15Å; F284-Y291 HydrophobicContact CB-CG 4.34Å; F284-Y291 HydrophobicContact CD1-CD1 4.29Å; F284-Y291 AromaticContact CD1-CE1 3.94Å; F284-Y291 HydrophobicContact CD1-CE1 3.94Å; F284-Y291 AromaticContact CD2-CD1 3.31Å; F284-Y291 HydrophobicContact CD2-CD1 3.31Å; F284-Y291 HydrophobicContact CD2-CD2 4.24Å; F284-Y291 AromaticContact CD2-CE1 3.82Å; F284-Y291 HydrophobicContact CD2-CE1 3.82Å; F284-Y291 AromaticContact CD2-CG 3.55Å; F284-Y291 HydrophobicContact CD2-CG 3.55Å; F284-Y291 HydrophobicContact CE1-CD1 4.36Å; F284-Y291 HydrophobicContact CE1-CE1 4.07Å; F284-Y291 AromaticContact CE2-CD1 3.42Å; F284-Y291 HydrophobicContact CE2-CD1 3.42Å; F284-Y291 VanDerWaalsContact CE2-CD1 3.42Å; F284-Y291 AromaticContact CE2-CE1 3.97Å; F284-Y291 HydrophobicContact CE2-CE1 3.97Å; F284-Y291 HydrophobicContact CE2-CG 4.06Å; F284-Y291 AromaticContact CG-CD1 3.79Å; F284-Y291 HydrophobicContact CG-CD1 3.79Å; F284-Y291 HydrophobicContact CG-CD2 4.35Å; F284-Y291 AromaticContact CG-CE1 3.81Å; F284-Y291 HydrophobicContact CG-CE1 3.81Å; F284-Y291 HydrophobicContact CG-CE2 4.38Å; F284-Y291 HydrophobicContact CG-CG 4.06Å; F284-Y291 AromaticContact CZ-CD1 3.96Å; F284-Y291 HydrophobicContact CZ-CD1 3.96Å; F284-Y291 HydrophobicContact CZ-CE1 4.09Å; F284-F303 HydrophobicContact CE2-CD1 4.35Å; F284-F303 HydrophobicContact CE2-CD2 4.22Å; F284-F303 HydrophobicContact CE2-CE1 4.15Å; F284-F303 AromaticContact CE2-CE2 3.96Å; F284-F303 HydrophobicContact CE2-CE2 3.96Å; F284-F303 HydrophobicContact CE2-CG 4.41Å; F284-F303 AromaticContact CE2-CZ 3.95Å; F284-F303 HydrophobicContact CE2-CZ 3.95Å; F284-V317 HydrophobicContact CE1-CG1 4.37Å; F284-V317 HydrophobicContact CZ-CB 4.45Å; F284-V317 HydrophobicContact CZ-CG1 3.85Å; F284-V317 HydrophobicContact CZ-CG2 3.97Å; F284-P322 HydrophobicContact CE1-CB 4.25Å; F284-P322 VanDerWaalsContact CE1-O 3.27Å; F284-P322 WeakPolarHBondContact CE1-O 3.47Å; F284-F327 HydrophobicContact CD1-CZ 4.48Å; F284-F327 AromaticContact CE1-CE1 3.69Å; F284-F327 HydrophobicContact CE1-CE1 3.69Å; F284-F327 AromaticContact CE1-CZ 3.53Å; F284-F327 HydrophobicContact CE1-CZ 3.53Å; F284-F327 AromaticContact CZ-CE1 3.87Å; F284-F327 HydrophobicContact CZ-CE1 3.87Å; F284-F327 AromaticContact CZ-CZ 3.72Å; F284-F327 HydrophobicContact CZ-CZ 3.72Å
285T94.1Very high95.2Very high71 Ų7145 Ų4544%0.43623%0.234SC..  trans-112.9-13.3179.552.90000112.9Q262 F264 P282 L287Q262-T285 PolarHBondContact NE2-O 3.13Å; F264-T285 HydrophobicContact CE1-CG2 4.42Å; F264-T285 HydrophobicContact CZ-CG2 4.21Å; P282-T285 HydrophobicContact CB-CG2 3.43Å; P282-T285 VanDerWaalsContact CB-CG2 3.43Å; T285-L287 PolarHBondContact O-N 2.69Å
286E92.5Very high95.4Very high114 Ų11446.2 Ų46.253%0.53324%0.242SC..  trans-71.6124.9174-63-172-179.900109.7D288 K324E286-D288 HydrophobicContact CB-CB 4.4Å; E286-D288 PolarHBondContact O-N 2.9Å; E286-K324 IonicContact OE2-NZ 2.67Å; E286-K324 PolarHBondContact OE2-NZ 3.13Å
287L92.2Very high95.5Very high78 Ų7847.5 Ų47.541%0.40825%0.246SC..THydrogen-bonded Turntrans-82.554.8172.3-68.3172.3000110.4K260 Q262 T285K260-L287 WeakPolarHBondContact CD-O 3.47Å; K260-L287 PolarHBondContact NZ-O 3.08Å; Q262-L287 HydrophobicContact CG-CD2 3.75Å; Q262-L287 HydrophobicContact CG-CG 4.24Å; T285-L287 PolarHBondContact O-N 2.69Å
288D92.9Very high95.4Very high41 Ų4150.5 Ų50.522%0.21925%0.249CC..THydrogen-bonded Turntrans-99.2-25.3-176.667.1-3.8000113.1K260 E286 Y291 V307 K324K260-D288 WeakPolarHBondContact CE-O 3.41Å; K260-D288 PolarHBondContact NZ-O 2.87Å; E286-D288 HydrophobicContact CB-CB 4.4Å; E286-D288 PolarHBondContact O-N 2.9Å; D288-Y291 PolarHBondContact OD1-OH 3.29Å; D288-V307 HydrophobicContact CB-CG2 4.34Å; D288-V307 VanDerWaalsContact CG-CG2 3.46Å; D288-V307 WeakPolarHBondContact OD2-CG2 3.29Å; D288-K324 IonicContact OD2-NZ 2.71Å; D288-K324 PolarHBondContact OD2-NZ 2.9Å
289G93.5Very high95.2Very high2 Ų257.5 Ų57.52%0.02129%0.287CS..SBendtrans-156.6-173.8173.900000114.1K260 N261K260-G289 VanDerWaalsContact CA-O 3.31Å; K260-G289 WeakPolarHBondContact CA-O 3.33Å; K260-G289 WeakPolarHBondContact CB-O 3.36Å; N261-G289 PolarHBondContact N-O 2.9Å
290K95.2Very high95.3Very high81 Ų8152.6 Ų52.635%0.35227%0.27SS..  trans-83.7139.5167-169.7-174.6179.9-1650108.7S259 N261 E292 V305 T306S259-K290 WeakPolarHBondContact O-CB 3.22Å; N261-K290 VanDerWaalsContact OD1-CA 3.23Å; N261-K290 WeakPolarHBondContact OD1-CA 3.21Å; K290-E292 WeakPolarHBondContact CE-OE2 3.21Å; K290-E292 IonicContact NZ-OE2 3.57Å; K290-E292 PolarHBondContact NZ-OE2 3.01Å; K290-V305 CarbonylContact O-C 3.51Å; K290-V305 WeakPolarHBondContact O-CA 3.28Å; K290-T306 HydrophobicContact CB-CG2 4.08Å; K290-T306 WeakPolarHBondContact CB-OG1 3.45Å; K290-T306 PolarHBondContact N-OG1 2.81Å; K290-T306 PolarHBondContact O-N 3.24Å
291Y97.2Very high95.3Very high8 Ų851.8 Ų51.83%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-127106.4169.6-62-91.7000108.2N261 I263 F284 D288 V305 V307 F327N261-Y291 PolarHBondContact ND2-O 3.08Å; N261-Y291 PolarHBondContact OD1-N 2.71Å; I263-Y291 WeakPolarHBondContact CD1-O 3.2Å; F284-Y291 HydrophobicContact CB-CD1 4.47Å; F284-Y291 HydrophobicContact CB-CD2 4.18Å; F284-Y291 HydrophobicContact CB-CE1 4.44Å; F284-Y291 HydrophobicContact CB-CE2 4.15Å; F284-Y291 HydrophobicContact CB-CG 4.34Å; F284-Y291 HydrophobicContact CD1-CD1 4.29Å; F284-Y291 AromaticContact CD1-CE1 3.94Å; F284-Y291 HydrophobicContact CD1-CE1 3.94Å; F284-Y291 AromaticContact CD2-CD1 3.31Å; F284-Y291 HydrophobicContact CD2-CD1 3.31Å; F284-Y291 HydrophobicContact CD2-CD2 4.24Å; F284-Y291 AromaticContact CD2-CE1 3.82Å; F284-Y291 HydrophobicContact CD2-CE1 3.82Å; F284-Y291 AromaticContact CD2-CG 3.55Å; F284-Y291 HydrophobicContact CD2-CG 3.55Å; F284-Y291 HydrophobicContact CE1-CD1 4.36Å; F284-Y291 HydrophobicContact CE1-CE1 4.07Å; F284-Y291 AromaticContact CE2-CD1 3.42Å; F284-Y291 HydrophobicContact CE2-CD1 3.42Å; F284-Y291 VanDerWaalsContact CE2-CD1 3.42Å; F284-Y291 AromaticContact CE2-CE1 3.97Å; F284-Y291 HydrophobicContact CE2-CE1 3.97Å; F284-Y291 HydrophobicContact CE2-CG 4.06Å; F284-Y291 AromaticContact CG-CD1 3.79Å; F284-Y291 HydrophobicContact CG-CD1 3.79Å; F284-Y291 HydrophobicContact CG-CD2 4.35Å; F284-Y291 AromaticContact CG-CE1 3.81Å; F284-Y291 HydrophobicContact CG-CE1 3.81Å; F284-Y291 HydrophobicContact CG-CE2 4.38Å; F284-Y291 HydrophobicContact CG-CG 4.06Å; F284-Y291 AromaticContact CZ-CD1 3.96Å; F284-Y291 HydrophobicContact CZ-CD1 3.96Å; F284-Y291 HydrophobicContact CZ-CE1 4.09Å; D288-Y291 PolarHBondContact OD1-OH 3.29Å; Y291-V305 HydrophobicContact CD1-CB 4.2Å; Y291-V305 HydrophobicContact CD1-CG1 3.49Å; Y291-V305 VanDerWaalsContact CD1-CG1 3.49Å; Y291-V305 HydrophobicContact CE1-CB 4.41Å; Y291-V305 HydrophobicContact CE1-CG1 3.99Å; Y291-V305 HydrophobicContact CG-CG1 4.36Å; Y291-V307 HydrophobicContact CE1-CG1 4.08Å; Y291-F327 HydrophobicContact CE1-CE2 4.2Å; Y291-F327 AromaticContact CE1-CZ 4Å; Y291-F327 HydrophobicContact CE1-CZ 4Å
292E97Very high95.4Very high48 Ų4848.9 Ų48.922%0.22425%0.25CC..EExtended strand (participates in β ladder)trans-106.4115179.4-179178.3157.900109.6K290 C294 F303 V304K290-E292 WeakPolarHBondContact CE-OE2 3.21Å; K290-E292 IonicContact NZ-OE2 3.57Å; K290-E292 PolarHBondContact NZ-OE2 3.01Å; E292-C294 PolarHBondContact O-SG 3.08Å; E292-C294 VanDerWaalsContact O-SG 3.34Å; E292-F303 VanDerWaalsContact C-CD1 3.43Å; E292-F303 CarbonylContact O-C 3.56Å; E292-F303 VanDerWaalsContact O-CA 3.22Å; E292-F303 WeakPolarHBondContact O-CA 3.48Å; E292-F303 WeakPolarHBondContact O-CD1 3.32Å; E292-V304 HydrophobicContact CB-CB 4.24Å; E292-V304 PolarHBondContact N-O 2.97Å; E292-V304 PolarHBondContact O-N 3.45Å
293F97.9Very high95.6Very high17 Ų1745.2 Ų45.28%0.07523%0.226CC..EExtended strand (participates in β ladder)trans-67.4132.1178179.9-110.5000110.4E241 I250 G295 V296 L301 F303E241-F293 WeakPolarHBondContact OE1-CD1 3.39Å; I250-F293 HydrophobicContact CD1-CD2 4.48Å; I250-F293 HydrophobicContact CD1-CE2 4.36Å; I250-F293 HydrophobicContact CD1-CZ 4.47Å; I250-F293 HydrophobicContact CG1-CD1 4Å; I250-F293 HydrophobicContact CG1-CD2 4.42Å; I250-F293 HydrophobicContact CG1-CE1 3.97Å; I250-F293 HydrophobicContact CG1-CE2 4.4Å; I250-F293 HydrophobicContact CG1-CG 4.21Å; I250-F293 HydrophobicContact CG1-CZ 4.16Å; I250-F293 HydrophobicContact CG2-CB 4.26Å; I250-F293 HydrophobicContact CG2-CG 4.39Å; F293-G295 VanDerWaalsContact CE2-O 3.27Å; F293-G295 WeakPolarHBondContact CE2-O 3.24Å; F293-G295 VanDerWaalsContact CZ-CA 3.5Å; F293-V296 HydrophobicContact CE2-CG2 4.42Å; F293-V296 HydrophobicContact CZ-CG2 3.99Å; F293-L301 HydrophobicContact CE2-CB 4.27Å; F293-L301 HydrophobicContact CE2-CD2 4.19Å; F293-F303 HydrophobicContact CB-CD1 4.25Å; F293-F303 HydrophobicContact CB-CE1 3.73Å; F293-F303 HydrophobicContact CB-CZ 4.25Å; F293-F303 HydrophobicContact CD2-CE1 4.12Å; F293-F303 HydrophobicContact CD2-CE2 4.19Å; F293-F303 AromaticContact CD2-CZ 3.81Å; F293-F303 HydrophobicContact CD2-CZ 3.81Å; F293-F303 HydrophobicContact CG-CE1 4.44Å
294C97.2Very high95.6Very high9 Ų944.8 Ų44.86%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-119.2-3.5-176-62.10000113.1E292 L302 A342E292-C294 PolarHBondContact O-SG 3.08Å; E292-C294 VanDerWaalsContact O-SG 3.34Å; C294-L302 HydrophobicContact CB-CB 4.1Å; C294-L302 HydrophobicContact CB-CD2 3.79Å; C294-L302 HydrophobicContact CB-CG 3.83Å; C294-L302 WeakPolarHBondContact CB-O 3.31Å; C294-L302 PolarHBondContact N-O 2.85Å; C294-A342 HydrophobicContact CB-CB 4.36Å; C294-A342 WeakPolarHBondContact CB-O 3.39Å
295G96.3Very high95.6Very high13 Ų1344.2 Ų44.213%0.13422%0.221CC..EExtended strand (participates in β ladder)trans126.3-170.6179.500000113.7F293 L302F293-G295 VanDerWaalsContact CE2-O 3.27Å; F293-G295 WeakPolarHBondContact CE2-O 3.24Å; F293-G295 VanDerWaalsContact CZ-CA 3.5Å; G295-L302 PolarHBondContact O-N 2.79Å
296V96.6Very high95.7Very high35 Ų3542.3 Ų42.321%0.21221%0.21CC..EExtended strand (participates in β ladder)trans-114.7131.7-179.2-176.70000109.2L248 F293 K300 L301L248-V296 HydrophobicContact CD1-CG2 3.99Å; F293-V296 HydrophobicContact CE2-CG2 4.42Å; F293-V296 HydrophobicContact CZ-CG2 3.99Å; V296-K300 WeakPolarHBondContact CA-O 3.47Å; V296-L301 HydrophobicContact CG2-CD2 4.07Å
297Y95.6Very high95.8Very high30 Ų3036.9 Ų36.912%0.11818%0.184CC..EExtended strand (participates in β ladder)trans-131.5118.2173.2-178-106.6000110.1N299 K300 L316 M367 E368Y297-N299 VanDerWaalsContact C-N 3.34Å; Y297-N299 PolarHBondContact O-N 3.33Å; Y297-K300 PolarHBondContact N-O 3.09Å; Y297-K300 PolarHBondContact O-N 3.01Å; Y297-L316 HydrophobicContact CD1-CD1 4.21Å; Y297-M367 HydrophobicContact CD1-CE 3.59Å; Y297-M367 HydrophobicContact CD2-CB 4.13Å; Y297-M367 HydrophobicContact CD2-CE 3.53Å; Y297-M367 HydrophobicContact CD2-CG 4.18Å; Y297-M367 HydrophobicContact CE1-CB 4.24Å; Y297-M367 HydrophobicContact CE1-CE 4.13Å; Y297-M367 HydrophobicContact CE2-CB 3.5Å; Y297-M367 HydrophobicContact CE2-CE 4.08Å; Y297-M367 HydrophobicContact CE2-CG 4.01Å; Y297-M367 HydrophobicContact CG-CE 3.25Å; Y297-E368 PolarHBondContact OH-OE2 3.26Å
298K92.8Very high95.9Very high140 Ų14039.2 Ų39.261%0.60920%0.197SC*.THydrogen-bonded Turntrans47.352179.4-63.6-177.1173.4179.20113.1K300 E368K298-K300 PolarHBondContact O-N 3.04Å; K298-E368 IonicContact NZ-OE2 4Å; K298-E368 PolarHBondContact NZ-OE2 3.19Å
299N91.9Very high96Very high154 Ų15437.3 Ų37.382%0.82419%0.187SC*.THydrogen-bonded Turntrans6312.4-178.4-57.8-26000115.9Y297Y297-N299 VanDerWaalsContact C-N 3.34Å; Y297-N299 PolarHBondContact O-N 3.33Å
300K96.2Very high96Very high77 Ų7739.8 Ų39.834%0.33520%0.203SC..EExtended strand (participates in β ladder)trans-110.8152.1170-65.7-175.6-178.8-177.20109.9V296 Y297 K298 L316 V317V296-K300 WeakPolarHBondContact CA-O 3.47Å; Y297-K300 PolarHBondContact N-O 3.09Å; Y297-K300 PolarHBondContact O-N 3.01Å; K298-K300 PolarHBondContact O-N 3.04Å; K300-L316 HydrophobicContact CB-CB 4.26Å; K300-L316 HydrophobicContact CB-CD2 4.09Å; K300-L316 HydrophobicContact CD-CB 4.11Å; K300-L316 HydrophobicContact CD-CD1 4.42Å; K300-V317 WeakPolarHBondContact CA-O 3.37Å
301L97.7Very high96.1Very high7 Ų738 Ų384%0.03720%0.195CC..EExtended strand (participates in β ladder)trans-90.4129.6179.2-48.6-177.1000109L248 L283 F293 V296 F303 L316 V317 A319L248-L301 HydrophobicContact CD1-CD2 3.34Å; L283-L301 HydrophobicContact CD1-CD1 4.44Å; L283-L301 HydrophobicContact CD2-CD1 3.73Å; F293-L301 HydrophobicContact CE2-CB 4.27Å; F293-L301 HydrophobicContact CE2-CD2 4.19Å; V296-L301 HydrophobicContact CG2-CD2 4.07Å; L301-F303 HydrophobicContact CB-CD2 3.97Å; L301-F303 HydrophobicContact CB-CE2 3.44Å; L301-F303 VanDerWaalsContact CB-CE2 3.44Å; L301-F303 HydrophobicContact CB-CZ 4.42Å; L301-F303 HydrophobicContact CD1-CE2 4Å; L301-F303 HydrophobicContact CD1-CZ 4.45Å; L301-F303 HydrophobicContact CG-CE2 4.37Å; L301-L316 CarbonylContact O-C 3.58Å; L301-L316 WeakPolarHBondContact O-CA 3.35Å; L301-V317 HydrophobicContact CB-CB 4.44Å; L301-V317 PolarHBondContact N-O 2.67Å; L301-V317 PolarHBondContact O-N 2.84Å; L301-A319 HydrophobicContact CD1-CB 4.11Å
302L98Very high96.1Very high0 Ų037.7 Ų37.70%020%0.195CC..EExtended strand (participates in β ladder)trans-91.4130.2175.5-17370.2000109.1C294 G295 L314 L316 L330 I344 V350 M367C294-L302 HydrophobicContact CB-CB 4.1Å; C294-L302 HydrophobicContact CB-CD2 3.79Å; C294-L302 HydrophobicContact CB-CG 3.83Å; C294-L302 WeakPolarHBondContact CB-O 3.31Å; C294-L302 PolarHBondContact N-O 2.85Å; G295-L302 PolarHBondContact O-N 2.79Å; L302-L314 HydrophobicContact CD1-CD1 3.8Å; L302-L314 HydrophobicContact CD1-CD2 4.12Å; L302-L314 HydrophobicContact CD1-CG 3.78Å; L302-L314 HydrophobicContact CD2-CD1 4.21Å; L302-L314 HydrophobicContact CG-CD1 3.88Å; L302-L314 HydrophobicContact CG-CG 4.42Å; L302-L316 HydrophobicContact CB-CD2 4.14Å; L302-L316 HydrophobicContact CD1-CD2 3.76Å; L302-L316 HydrophobicContact CD1-CG 4.26Å; L302-L330 HydrophobicContact CD1-CD1 3.66Å; L302-I344 HydrophobicContact CB-CD1 4.43Å; L302-I344 HydrophobicContact CD2-CD1 3.84Å; L302-I344 HydrophobicContact CD2-CG1 3.7Å; L302-V350 HydrophobicContact CD2-CG2 4.38Å; L302-M367 HydrophobicContact CD2-CE 4.41Å
303F98.4Very high96.1Very high0 Ų037.1 Ų37.10%019%0.19CC..EExtended strand (participates in β ladder)trans-134142.8177.2-74.9-91.9000112.3I263 L283 F284 E292 F293 L301 V305 L314 V315 V317I263-F303 HydrophobicContact CD1-CE1 4.4Å; I263-F303 HydrophobicContact CG1-CE1 4.11Å; I263-F303 HydrophobicContact CG2-CE1 4.33Å; I263-F303 HydrophobicContact CG2-CZ 4.18Å; L283-F303 HydrophobicContact CD2-CE2 3.88Å; L283-F303 HydrophobicContact CD2-CZ 3.69Å; F284-F303 HydrophobicContact CE2-CD1 4.35Å; F284-F303 HydrophobicContact CE2-CD2 4.22Å; F284-F303 HydrophobicContact CE2-CE1 4.15Å; F284-F303 AromaticContact CE2-CE2 3.96Å; F284-F303 HydrophobicContact CE2-CE2 3.96Å; F284-F303 HydrophobicContact CE2-CG 4.41Å; F284-F303 AromaticContact CE2-CZ 3.95Å; F284-F303 HydrophobicContact CE2-CZ 3.95Å; E292-F303 VanDerWaalsContact C-CD1 3.43Å; E292-F303 CarbonylContact O-C 3.56Å; E292-F303 VanDerWaalsContact O-CA 3.22Å; E292-F303 WeakPolarHBondContact O-CA 3.48Å; E292-F303 WeakPolarHBondContact O-CD1 3.32Å; F293-F303 HydrophobicContact CB-CD1 4.25Å; F293-F303 HydrophobicContact CB-CE1 3.73Å; F293-F303 HydrophobicContact CB-CZ 4.25Å; F293-F303 HydrophobicContact CD2-CE1 4.12Å; F293-F303 HydrophobicContact CD2-CE2 4.19Å; F293-F303 AromaticContact CD2-CZ 3.81Å; F293-F303 HydrophobicContact CD2-CZ 3.81Å; F293-F303 HydrophobicContact CG-CE1 4.44Å; L301-F303 HydrophobicContact CB-CD2 3.97Å; L301-F303 HydrophobicContact CB-CE2 3.44Å; L301-F303 VanDerWaalsContact CB-CE2 3.44Å; L301-F303 HydrophobicContact CB-CZ 4.42Å; L301-F303 HydrophobicContact CD1-CE2 4Å; L301-F303 HydrophobicContact CD1-CZ 4.45Å; L301-F303 HydrophobicContact CG-CE2 4.37Å; F303-V305 HydrophobicContact CB-CG1 3.67Å; F303-L314 WeakPolarHBondContact O-CA 3.17Å; F303-V315 HydrophobicContact CB-CG2 4.06Å; F303-V315 PolarHBondContact N-O 2.89Å; F303-V315 PolarHBondContact O-N 3.46Å; F303-V317 HydrophobicContact CD2-CB 4.27Å; F303-V317 HydrophobicContact CD2-CG2 3.79Å; F303-V317 HydrophobicContact CE2-CB 4.49Å; F303-V317 HydrophobicContact CE2-CG2 4.4Å
304V98.1Very high96.1Very high3 Ų336.3 Ų36.32%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-86123.7153.8172.10000107.6E292 R313 L314 L339 A342E292-V304 HydrophobicContact CB-CB 4.24Å; E292-V304 PolarHBondContact N-O 2.97Å; E292-V304 PolarHBondContact O-N 3.45Å; V304-R313 WeakPolarHBondContact CA-O 3.38Å; V304-L314 HydrophobicContact CG2-CD1 3.9Å; V304-L339 HydrophobicContact CB-CD2 4.38Å; V304-L339 HydrophobicContact CG1-CB 4.48Å; V304-L339 HydrophobicContact CG1-CD2 3.86Å; V304-L339 HydrophobicContact CG1-CG 3.82Å; V304-L339 HydrophobicContact CG2-CD1 4.45Å; V304-L339 HydrophobicContact CG2-CD2 3.82Å; V304-L339 HydrophobicContact CG2-CG 3.92Å; V304-A342 HydrophobicContact CG2-CB 4.11Å
305V97.3Very high96.2Very high0 Ų035.9 Ų35.90%018%0.184CC..EExtended strand (participates in β ladder)trans-126.7143.7-177.8-55.30000112.6K290 Y291 F303 V307 G312 R313 V315 F327K290-V305 CarbonylContact O-C 3.51Å; K290-V305 WeakPolarHBondContact O-CA 3.28Å; Y291-V305 HydrophobicContact CD1-CB 4.2Å; Y291-V305 HydrophobicContact CD1-CG1 3.49Å; Y291-V305 VanDerWaalsContact CD1-CG1 3.49Å; Y291-V305 HydrophobicContact CE1-CB 4.41Å; Y291-V305 HydrophobicContact CE1-CG1 3.99Å; Y291-V305 HydrophobicContact CG-CG1 4.36Å; F303-V305 HydrophobicContact CB-CG1 3.67Å; V305-V307 HydrophobicContact CB-CG1 4.21Å; V305-V307 HydrophobicContact CG2-CG1 4.15Å; V305-G312 CarbonylContact O-C 3.47Å; V305-G312 VanDerWaalsContact O-CA 3.28Å; V305-G312 WeakPolarHBondContact O-CA 3.35Å; V305-R313 HydrophobicContact CG2-CG 3.57Å; V305-R313 PolarHBondContact N-O 3.35Å; V305-R313 PolarHBondContact O-N 3.04Å; V305-V315 HydrophobicContact CB-CG2 4.48Å; V305-V315 HydrophobicContact CG1-CG2 3.73Å; V305-V315 HydrophobicContact CG2-CG1 3.93Å; V305-V315 HydrophobicContact CG2-CG2 3.87Å; V305-F327 HydrophobicContact CG2-CE2 4.42Å
306T95.7Very high96.2Very high31 Ų3136 Ų3619%0.1918%0.181CC..  trans-109.5-0.317565.70000114.6K290 D308 S309K290-T306 HydrophobicContact CB-CG2 4.08Å; K290-T306 WeakPolarHBondContact CB-OG1 3.45Å; K290-T306 PolarHBondContact N-OG1 2.81Å; K290-T306 PolarHBondContact O-N 3.24Å; T306-D308 PolarHBondContact O-N 3.14Å; T306-S309 CarbonylContact C-O 3.55Å; T306-S309 WeakPolarHBondContact CA-O 3.11Å; T306-S309 WeakPolarHBondContact CB-O 3.42Å; T306-S309 CarbonylContact O-C 3.55Å; T306-S309 PolarHBondContact O-N 3.1Å; T306-S309 VanDerWaalsContact O-O 3.12Å
307V94.6Very high96.3Very high1 Ų134.4 Ų34.41%0.00617%0.172CC..THydrogen-bonded Turntrans-58123.617063.50000109.8D288 Y291 V305 S309 R313 K324 F327D288-V307 HydrophobicContact CB-CG2 4.34Å; D288-V307 VanDerWaalsContact CG-CG2 3.46Å; D288-V307 WeakPolarHBondContact OD2-CG2 3.29Å; Y291-V307 HydrophobicContact CE1-CG1 4.08Å; V305-V307 HydrophobicContact CB-CG1 4.21Å; V305-V307 HydrophobicContact CG2-CG1 4.15Å; V307-S309 PolarHBondContact O-N 3.3Å; V307-S309 VanDerWaalsContact O-N 3.08Å; V307-R313 PolarHBondContact O-NH2 3.43Å; V307-K324 HydrophobicContact CG2-CD 4.03Å; V307-F327 HydrophobicContact CG1-CE2 4.1Å
308D93.4Very high96.3Very high126 Ų12636.1 Ų36.167%0.67418%0.183SC*.THydrogen-bonded Turntrans53.522.5-174.1-50.2-44.2000114.4T306T306-D308 PolarHBondContact O-N 3.14Å
309S95.4Very high96.4Very high2 Ų230.2 Ų30.21%0.01416%0.16CC..  trans-153.981.5-175.81770000110.3T306 V307 K311 G312 E333T306-S309 CarbonylContact C-O 3.55Å; T306-S309 WeakPolarHBondContact CA-O 3.11Å; T306-S309 WeakPolarHBondContact CB-O 3.42Å; T306-S309 CarbonylContact O-C 3.55Å; T306-S309 PolarHBondContact O-N 3.1Å; T306-S309 VanDerWaalsContact O-O 3.12Å; V307-S309 PolarHBondContact O-N 3.3Å; V307-S309 VanDerWaalsContact O-N 3.08Å; S309-K311 PolarHBondContact O-N 2.91Å; S309-G312 PolarHBondContact O-N 2.73Å; S309-G312 PolarHBondContact OG-N 3.44Å; S309-G312 PolarHBondContact OG-O 2.83Å; S309-E333 VanDerWaalsContact OG-CB 3.28Å; S309-E333 WeakPolarHBondContact OG-CB 3.02Å; S309-E333 VanDerWaalsContact OG-CG 3.3Å; S309-E333 WeakPolarHBondContact OG-CG 3.31Å
310P93.6Very high96.4Very high54 Ų5426.2 Ų26.235%0.35115%0.148SC..THydrogen-bonded Turntrans-60-21.7-171.421.1-32.6000115E333 G517 S518P310-E333 WeakPolarHBondContact CD-OE1 3.37Å; P310-E333 WeakPolarHBondContact CG-OE1 3.47Å; P310-G517 WeakPolarHBondContact O-CA 3.43Å; P310-S518 WeakPolarHBondContact CA-OG 3.4Å; P310-S518 WeakPolarHBondContact CB-OG 3.4Å; P310-S518 PolarHBondContact O-N 2.91Å; P310-S518 PolarHBondContact O-OG 3.33Å
311K96.7Very high96.3Very high43 Ų4328.2 Ų28.219%0.18716%0.159CC..THydrogen-bonded Turntrans-99.21174.7-60.4-176.4-179.4-170.50114.1S309 E333 E334 R335 M337 V338 L339 F516S309-K311 PolarHBondContact O-N 2.91Å; K311-E333 HydrophobicContact CB-CG 3.8Å; K311-E333 VanDerWaalsContact CB-OE1 3.23Å; K311-E333 WeakPolarHBondContact CB-OE1 3.45Å; K311-E333 WeakPolarHBondContact CG-OE1 3.12Å; K311-E333 PolarHBondContact N-OE1 2.79Å; K311-E334 VanDerWaalsContact CD-O 3.31Å; K311-E334 WeakPolarHBondContact CD-O 3.31Å; K311-R335 PolarHBondContact NZ-O 2.69Å; K311-M337 WeakPolarHBondContact CB-O 3.41Å; K311-V338 HydrophobicContact CB-CG2 4.43Å; K311-V338 HydrophobicContact CG-CG2 4.28Å; K311-V338 CarbonylContact O-C 3.08Å; K311-V338 WeakPolarHBondContact O-CA 3.36Å; K311-L339 PolarHBondContact O-N 3.48Å; K311-F516 WeakPolarHBondContact CE-O 3.43Å
312G96.9Very high96.1Very high2 Ų229.7 Ų29.72%0.02117%0.169CC..  trans87.8147.8174.700000113.7V305 S309V305-G312 CarbonylContact O-C 3.47Å; V305-G312 VanDerWaalsContact O-CA 3.28Å; V305-G312 WeakPolarHBondContact O-CA 3.35Å; S309-G312 PolarHBondContact O-N 2.73Å; S309-G312 PolarHBondContact OG-N 3.44Å; S309-G312 PolarHBondContact OG-O 2.83Å
313R97.7Very high95.9Very high36 Ų3632 Ų3214%0.13619%0.185CC..EExtended strand (participates in β ladder)trans-137.4155.2172.558.3176.7170.2-177.1-6.3110.1V304 V305 V307 V315 L331 L339V304-R313 WeakPolarHBondContact CA-O 3.38Å; V305-R313 HydrophobicContact CG2-CG 3.57Å; V305-R313 PolarHBondContact N-O 3.35Å; V305-R313 PolarHBondContact O-N 3.04Å; V307-R313 PolarHBondContact O-NH2 3.43Å; R313-V315 HydrophobicContact CG-CG1 4.09Å; R313-L331 WeakPolarHBondContact CA-O 3.28Å; R313-L331 VanDerWaalsContact CB-O 3.23Å; R313-L331 WeakPolarHBondContact CB-O 3.34Å; R313-L339 VanDerWaalsContact C-CD2 3.46Å
314L98.4Very high95.6Very high0 Ų035.2 Ų35.20%020%0.199CC..EExtended strand (participates in β ladder)trans-97.7126.4176.7-169.669.4000109.4L302 F303 V304 L330 L331 L339 A342 V350 M370L302-L314 HydrophobicContact CD1-CD1 3.8Å; L302-L314 HydrophobicContact CD1-CD2 4.12Å; L302-L314 HydrophobicContact CD1-CG 3.78Å; L302-L314 HydrophobicContact CD2-CD1 4.21Å; L302-L314 HydrophobicContact CG-CD1 3.88Å; L302-L314 HydrophobicContact CG-CG 4.42Å; F303-L314 WeakPolarHBondContact O-CA 3.17Å; V304-L314 HydrophobicContact CG2-CD1 3.9Å; L314-L330 HydrophobicContact CB-CB 4.43Å; L314-L330 HydrophobicContact CD2-CB 4.31Å; L314-L330 HydrophobicContact CD2-CD1 4.37Å; L314-L330 HydrophobicContact CG-CB 4.35Å; L314-L330 PolarHBondContact O-N 3.11Å; L314-L331 HydrophobicContact CB-CB 3.9Å; L314-L331 HydrophobicContact CB-CD1 4.25Å; L314-L331 HydrophobicContact CB-CG 4.23Å; L314-L331 HydrophobicContact CD2-CD1 3.98Å; L314-L331 HydrophobicContact CD2-CG 4.33Å; L314-L331 PolarHBondContact N-O 2.85Å; L314-L331 PolarHBondContact O-N 3.15Å; L314-L339 HydrophobicContact CB-CD2 4.14Å; L314-A342 HydrophobicContact CD1-CB 3.59Å; L314-A342 HydrophobicContact CD2-CB 4.46Å; L314-V350 HydrophobicContact CD2-CG2 4.38Å; L314-M370 HydrophobicContact CD2-CE 4.19Å
315V98.1Very high95.4Very high0 Ų041.7 Ų41.70%023%0.229CC..EExtended strand (participates in β ladder)trans-132.7149-176.4-58.80000112F303 V305 R313 V317 F327 T328 I329F303-V315 HydrophobicContact CB-CG2 4.06Å; F303-V315 PolarHBondContact N-O 2.89Å; F303-V315 PolarHBondContact O-N 3.46Å; V305-V315 HydrophobicContact CB-CG2 4.48Å; V305-V315 HydrophobicContact CG1-CG2 3.73Å; V305-V315 HydrophobicContact CG2-CG1 3.93Å; V305-V315 HydrophobicContact CG2-CG2 3.87Å; R313-V315 HydrophobicContact CG-CG1 4.09Å; V315-V317 HydrophobicContact CG2-CG2 3.99Å; V315-F327 HydrophobicContact CB-CB 4.26Å; V315-F327 HydrophobicContact CB-CD2 4.39Å; V315-F327 HydrophobicContact CB-CG 4.42Å; V315-F327 HydrophobicContact CG1-CB 4.26Å; V315-F327 HydrophobicContact CG1-CD2 4.2Å; V315-F327 HydrophobicContact CG2-CD2 4.1Å; V315-F327 HydrophobicContact CG2-CE2 4.44Å; V315-F327 HydrophobicContact CG2-CG 4.36Å; V315-T328 CarbonylContact C-O 3.44Å; V315-T328 WeakPolarHBondContact CA-O 3.17Å; V315-I329 HydrophobicContact CG1-CG1 4.3Å
316L97.8Very high95.4Very high15 Ų1546.1 Ų46.18%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-98.6136162.4-71.8170.9000110.4Y297 K300 L301 L302 T328 L330Y297-L316 HydrophobicContact CD1-CD1 4.21Å; K300-L316 HydrophobicContact CB-CB 4.26Å; K300-L316 HydrophobicContact CB-CD2 4.09Å; K300-L316 HydrophobicContact CD-CB 4.11Å; K300-L316 HydrophobicContact CD-CD1 4.42Å; L301-L316 CarbonylContact O-C 3.58Å; L301-L316 WeakPolarHBondContact O-CA 3.35Å; L302-L316 HydrophobicContact CB-CD2 4.14Å; L302-L316 HydrophobicContact CD1-CD2 3.76Å; L302-L316 HydrophobicContact CD1-CG 4.26Å; L316-T328 PolarHBondContact N-O 2.78Å; L316-T328 PolarHBondContact O-N 3.16Å; L316-L330 HydrophobicContact CD1-CD1 3.9Å; L316-L330 HydrophobicContact CD1-CD2 3.96Å; L316-L330 HydrophobicContact CD1-CG 4.2Å; L316-L330 HydrophobicContact CD2-CD1 4.32Å; L316-L330 HydrophobicContact CG-CD1 3.65Å; L316-L330 HydrophobicContact CG-CD2 4.3Å; L316-L330 HydrophobicContact CG-CG 4.01Å
317V98.1Very high95.4Very high1 Ų145.6 Ų45.61%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-121.9129.5-176.1-176.10000109F284 K300 L301 F303 V315 P322 F327F284-V317 HydrophobicContact CE1-CG1 4.37Å; F284-V317 HydrophobicContact CZ-CB 4.45Å; F284-V317 HydrophobicContact CZ-CG1 3.85Å; F284-V317 HydrophobicContact CZ-CG2 3.97Å; K300-V317 WeakPolarHBondContact CA-O 3.37Å; L301-V317 HydrophobicContact CB-CB 4.44Å; L301-V317 PolarHBondContact N-O 2.67Å; L301-V317 PolarHBondContact O-N 2.84Å; F303-V317 HydrophobicContact CD2-CB 4.27Å; F303-V317 HydrophobicContact CD2-CG2 3.79Å; F303-V317 HydrophobicContact CE2-CB 4.49Å; F303-V317 HydrophobicContact CE2-CG2 4.4Å; V315-V317 HydrophobicContact CG2-CG2 3.99Å; V317-P322 HydrophobicContact CG1-CB 4.31Å; V317-F327 HydrophobicContact CG1-CE1 4.13Å; V317-F327 HydrophobicContact CG2-CD1 3.91Å; V317-F327 HydrophobicContact CG2-CE1 3.78Å; V317-F327 HydrophobicContact CG2-CZ 4.39Å
318N96.3Very high95.6Very high67 Ų6748.5 Ų48.536%0.35827%0.265SS..  trans-86.9115.2166.5-178.4-8.1000108.3A320 H321N318-A320 PolarHBondContact O-N 3.45Å; N318-A320 VanDerWaalsContact O-N 3.08Å; N318-A320 WeakPolarHBondContact OD1-CB 3.42Å; N318-A320 PolarHBondContact OD1-N 3.48Å; N318-H321 CarbonylContact O-C 3.5Å; N318-H321 PolarHBondContact O-N 2.77Å
319A93.4Very high95.7Very high16 Ų1646.6 Ų46.613%0.13226%0.255CS..THydrogen-bonded Turntrans-59-23.4-179.300000113.8Y265 L283 L301 H321Y265-A319 HydrophobicContact CE2-CB 4.28Å; L283-A319 HydrophobicContact CD1-CB 4.13Å; L301-A319 HydrophobicContact CD1-CB 4.11Å; A319-H321 VanDerWaalsContact C-N 3.32Å
320A92.2Very high95.8Very high69 Ų6948.2 Ų48.257%0.5726%0.263SS*.THydrogen-bonded Turntrans-74.7-20.9174.400000113.5N318N318-A320 PolarHBondContact O-N 3.45Å; N318-A320 VanDerWaalsContact O-N 3.08Å; N318-A320 WeakPolarHBondContact OD1-CB 3.42Å; N318-A320 PolarHBondContact OD1-N 3.48Å
321H94.6Very high96Very high119 Ų11946.6 Ų46.655%0.55125%0.251SS*.SBendtrans-139.368.2-179.6-57.4-58000109.8N318 A319 S323 N326N318-H321 CarbonylContact O-C 3.5Å; N318-H321 PolarHBondContact O-N 2.77Å; A319-H321 VanDerWaalsContact C-N 3.32Å; H321-S323 VanDerWaalsContact C-N 3.26Å; H321-S323 PolarHBondContact O-N 3.08Å; H321-N326 WeakPolarHBondContact O-CB 3.45Å
322P93.8Very high96.1Very high38 Ų3847.8 Ų47.825%0.24727%0.269CS..  trans-813.8-167.234.3-37.3000114.1L283 F284 V317 F327L283-P322 HydrophobicContact CD1-CB 3.62Å; L283-P322 HydrophobicContact CD1-CG 4.34Å; L283-P322 HydrophobicContact CG-CB 4.27Å; F284-P322 HydrophobicContact CE1-CB 4.25Å; F284-P322 VanDerWaalsContact CE1-O 3.27Å; F284-P322 WeakPolarHBondContact CE1-O 3.47Å; V317-P322 HydrophobicContact CG1-CB 4.31Å; P322-F327 WeakPolarHBondContact O-CE1 3.15Å
323S93.3Very high96.1Very high50 Ų5051.3 Ų51.335%0.3529%0.285SS..  trans-63.8146.4-178890000111.6H321 E325 N326H321-S323 VanDerWaalsContact C-N 3.26Å; H321-S323 PolarHBondContact O-N 3.08Å; S323-E325 WeakPolarHBondContact CB-OE2 3.42Å; S323-E325 PolarHBondContact O-N 2.94Å; S323-E325 VanDerWaalsContact O-N 3.15Å; S323-E325 PolarHBondContact OG-OE2 3.27Å; S323-N326 WeakPolarHBondContact O-CA 3.34Å; S323-N326 WeakPolarHBondContact O-CB 3.39Å; S323-N326 PolarHBondContact O-N 3.24Å; S323-N326 PolarHBondContact OG-ND2 3.27Å
324K92.8Very high96Very high66 Ų6653.5 Ų53.529%0.28730%0.296SS..G310 helixtrans-60.9-25.7-17659.8-174.5161.8-1580113.8E286 D288 V307 N326 F327E286-K324 IonicContact OE2-NZ 2.67Å; E286-K324 PolarHBondContact OE2-NZ 3.13Å; D288-K324 IonicContact OD2-NZ 2.71Å; D288-K324 PolarHBondContact OD2-NZ 2.9Å; V307-K324 HydrophobicContact CG2-CD 4.03Å; K324-N326 PolarHBondContact O-N 2.85Å; K324-F327 HydrophobicContact CB-CD2 4.15Å; K324-F327 HydrophobicContact CB-CE1 4.47Å; K324-F327 HydrophobicContact CB-CE2 3.85Å; K324-F327 HydrophobicContact CB-CZ 4.02Å; K324-F327 WeakPolarHBondContact O-CB 3.43Å; K324-F327 WeakPolarHBondContact O-CG 3.47Å; K324-F327 PolarHBondContact O-N 2.79Å
325E93.9Very high95.7Very high140 Ų14063.8 Ų63.865%0.65434%0.335SS*.G310 helixtrans-66.1-22.9173.9-55.472.3-153.400112.3S323S323-E325 WeakPolarHBondContact CB-OE2 3.42Å; S323-E325 PolarHBondContact O-N 2.94Å; S323-E325 VanDerWaalsContact O-N 3.15Å; S323-E325 PolarHBondContact OG-OE2 3.27Å
326N96Very high95.6Very high92 Ų9270.8 Ų70.849%0.49237%0.366SS..G310 helixtrans-94.82.8179.2-67.2-55.4000113.3H321 S323 K324 T328H321-N326 WeakPolarHBondContact O-CB 3.45Å; S323-N326 WeakPolarHBondContact O-CA 3.34Å; S323-N326 WeakPolarHBondContact O-CB 3.39Å; S323-N326 PolarHBondContact O-N 3.24Å; S323-N326 PolarHBondContact OG-ND2 3.27Å; K324-N326 PolarHBondContact O-N 2.85Å; N326-T328 PolarHBondContact O-N 2.93Å
327F97Very high95.5Very high21 Ų2171.1 Ų71.19%0.09237%0.367CS..  trans-64.3128.2178.9-71.4-1.5000111.1F284 Y291 V305 V307 V315 V317 P322 K324 I329F284-F327 HydrophobicContact CD1-CZ 4.48Å; F284-F327 AromaticContact CE1-CE1 3.69Å; F284-F327 HydrophobicContact CE1-CE1 3.69Å; F284-F327 AromaticContact CE1-CZ 3.53Å; F284-F327 HydrophobicContact CE1-CZ 3.53Å; F284-F327 AromaticContact CZ-CE1 3.87Å; F284-F327 HydrophobicContact CZ-CE1 3.87Å; F284-F327 AromaticContact CZ-CZ 3.72Å; F284-F327 HydrophobicContact CZ-CZ 3.72Å; Y291-F327 HydrophobicContact CE1-CE2 4.2Å; Y291-F327 AromaticContact CE1-CZ 4Å; Y291-F327 HydrophobicContact CE1-CZ 4Å; V305-F327 HydrophobicContact CG2-CE2 4.42Å; V307-F327 HydrophobicContact CG1-CE2 4.1Å; V315-F327 HydrophobicContact CB-CB 4.26Å; V315-F327 HydrophobicContact CB-CD2 4.39Å; V315-F327 HydrophobicContact CB-CG 4.42Å; V315-F327 HydrophobicContact CG1-CB 4.26Å; V315-F327 HydrophobicContact CG1-CD2 4.2Å; V315-F327 HydrophobicContact CG2-CD2 4.1Å; V315-F327 HydrophobicContact CG2-CE2 4.44Å; V315-F327 HydrophobicContact CG2-CG 4.36Å; V317-F327 HydrophobicContact CG1-CE1 4.13Å; V317-F327 HydrophobicContact CG2-CD1 3.91Å; V317-F327 HydrophobicContact CG2-CE1 3.78Å; V317-F327 HydrophobicContact CG2-CZ 4.39Å; P322-F327 WeakPolarHBondContact O-CE1 3.15Å; K324-F327 HydrophobicContact CB-CD2 4.15Å; K324-F327 HydrophobicContact CB-CE1 4.47Å; K324-F327 HydrophobicContact CB-CE2 3.85Å; K324-F327 HydrophobicContact CB-CZ 4.02Å; K324-F327 WeakPolarHBondContact O-CB 3.43Å; K324-F327 WeakPolarHBondContact O-CG 3.47Å; K324-F327 PolarHBondContact O-N 2.79Å; F327-I329 PolarHBondContact O-N 2.82Å
328T97.3Very high95.5Very high61 Ų6171.6 Ų71.637%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-86105.1166.7-53.60000108.1V315 L316 N326 L330V315-T328 CarbonylContact C-O 3.44Å; V315-T328 WeakPolarHBondContact CA-O 3.17Å; L316-T328 PolarHBondContact N-O 2.78Å; L316-T328 PolarHBondContact O-N 3.16Å; N326-T328 PolarHBondContact O-N 2.93Å; T328-L330 HydrophobicContact CG2-CD2 4.43Å; T328-L330 PolarHBondContact O-N 2.87Å
329I97.2Very high95.6Very high87 Ų8768.9 Ų68.945%0.44636%0.356SS..EExtended strand (participates in β ladder)trans-71.9118.3178.5-57.6173.3000109.2V315 F327 A332V315-I329 HydrophobicContact CG1-CG1 4.3Å; F327-I329 PolarHBondContact O-N 2.82Å; I329-A332 HydrophobicContact CG2-CB 4.45Å
330L97.7Very high95.7Very high35 Ų3571.3 Ų71.318%0.18336%0.363CS..EExtended strand (participates in β ladder)trans-92.7-44.2176.1-68.8-168.8000112L302 L314 L316 T328 M370L302-L330 HydrophobicContact CD1-CD1 3.66Å; L314-L330 HydrophobicContact CB-CB 4.43Å; L314-L330 HydrophobicContact CD2-CB 4.31Å; L314-L330 HydrophobicContact CD2-CD1 4.37Å; L314-L330 HydrophobicContact CG-CB 4.35Å; L314-L330 PolarHBondContact O-N 3.11Å; L316-L330 HydrophobicContact CD1-CD1 3.9Å; L316-L330 HydrophobicContact CD1-CD2 3.96Å; L316-L330 HydrophobicContact CD1-CG 4.2Å; L316-L330 HydrophobicContact CD2-CD1 4.32Å; L316-L330 HydrophobicContact CG-CD1 3.65Å; L316-L330 HydrophobicContact CG-CD2 4.3Å; L316-L330 HydrophobicContact CG-CG 4.01Å; T328-L330 HydrophobicContact CG2-CD2 4.43Å; T328-L330 PolarHBondContact O-N 2.87Å; L330-M370 HydrophobicContact CB-CE 4.3Å; L330-M370 HydrophobicContact CB-CG 3.82Å; L330-M370 HydrophobicContact CB-SD 4.01Å; L330-M370 HydrophobicContact CD1-CG 4.31Å; L330-M370 HydrophobicContact CD1-SD 3.87Å; L330-M370 HydrophobicContact CD2-CG 3.87Å; L330-M370 HydrophobicContact CG-CG 4.22Å; L330-M370 HydrophobicContact CG-SD 4.37Å
331L97.6Very high95.9Very high21 Ų2170.2 Ų70.211%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-130.4123.8171.8-62.1172.3000108.3R313 L314 V352 F365 M370R313-L331 WeakPolarHBondContact CA-O 3.28Å; R313-L331 VanDerWaalsContact CB-O 3.23Å; R313-L331 WeakPolarHBondContact CB-O 3.34Å; L314-L331 HydrophobicContact CB-CB 3.9Å; L314-L331 HydrophobicContact CB-CD1 4.25Å; L314-L331 HydrophobicContact CB-CG 4.23Å; L314-L331 HydrophobicContact CD2-CD1 3.98Å; L314-L331 HydrophobicContact CD2-CG 4.33Å; L314-L331 PolarHBondContact N-O 2.85Å; L314-L331 PolarHBondContact O-N 3.15Å; L331-V352 HydrophobicContact CD1-CG1 4.07Å; L331-V352 HydrophobicContact CD1-CG2 3.91Å; L331-F365 HydrophobicContact CD1-CD2 4.27Å; L331-F365 HydrophobicContact CD1-CE2 3.91Å; L331-F365 HydrophobicContact CD1-CZ 4.18Å; L331-F365 HydrophobicContact CD2-CD1 4.32Å; L331-F365 HydrophobicContact CD2-CE1 3.88Å; L331-F365 HydrophobicContact CD2-CE2 4.44Å; L331-F365 HydrophobicContact CD2-CZ 3.95Å; L331-M370 HydrophobicContact CD1-CE 3.78Å; L331-M370 HydrophobicContact CD2-CE 3.65Å; L331-M370 HydrophobicContact CG-CE 3.53Å
332A97Very high96.1Very high67 Ų6764.6 Ų64.655%0.55432%0.319SS*.PPolyproline II helixtrans-73167.8175.300000111.6I329 E334I329-A332 HydrophobicContact CG2-CB 4.45Å; A332-E334 PolarHBondContact O-N 3.13Å
333E96.9Very high96.3Very high77 Ų7766.5 Ų66.536%0.3632%0.323SS..PPolyproline II helixtrans-60.5131.6174.7-166.9-179.4-169.300111.4S309 P310 K311S309-E333 VanDerWaalsContact OG-CB 3.28Å; S309-E333 WeakPolarHBondContact OG-CB 3.02Å; S309-E333 VanDerWaalsContact OG-CG 3.3Å; S309-E333 WeakPolarHBondContact OG-CG 3.31Å; P310-E333 WeakPolarHBondContact CD-OE1 3.37Å; P310-E333 WeakPolarHBondContact CG-OE1 3.47Å; K311-E333 HydrophobicContact CB-CG 3.8Å; K311-E333 VanDerWaalsContact CB-OE1 3.23Å; K311-E333 WeakPolarHBondContact CB-OE1 3.45Å; K311-E333 WeakPolarHBondContact CG-OE1 3.12Å; K311-E333 PolarHBondContact N-OE1 2.79Å
334E96.1Very high96.4Very high81 Ų8164.4 Ų64.438%0.37931%0.308SS..PPolyproline II helixtrans-89.3135.5177.2-84.1-69.817200112.1K311 A332 K336 M337 Y354K311-E334 VanDerWaalsContact CD-O 3.31Å; K311-E334 WeakPolarHBondContact CD-O 3.31Å; A332-E334 PolarHBondContact O-N 3.13Å; E334-K336 VanDerWaalsContact C-N 3.3Å; E334-K336 PolarHBondContact O-N 3.01Å; E334-M337 HydrophobicContact CB-CB 4.05Å; E334-M337 HydrophobicContact CB-CE 4.14Å; E334-M337 HydrophobicContact CG-CE 3.77Å; E334-Y354 HydrophobicContact CB-CE1 4.43Å; E334-Y354 HydrophobicContact CG-CE1 4.07Å
335R93.4Very high96.6Very high216 Ų21661.3 Ų61.382%0.81529%0.294SS*.SBendtrans-65.3-32.5-174.8-173.2177.6176.4-157.3-0.2113K311K311-R335 PolarHBondContact NZ-O 2.69Å
336K94.4Very high96.5Very high148 Ų14856.8 Ų56.864%0.64328%0.275SS*.SBendtrans-115.8-2-170.7-65.7-175-179.7-179.60114.2E334E334-K336 VanDerWaalsContact C-N 3.3Å; E334-K336 PolarHBondContact O-N 3.01Å
337M97.1Very high96.3Very high22 Ų2255.7 Ų55.711%0.10827%0.274CS..  trans-135.2142.8-169.8-61-175.7-61.400110.4K311 E334 Y354 L355 R356 I361K311-M337 WeakPolarHBondContact CB-O 3.41Å; E334-M337 HydrophobicContact CB-CB 4.05Å; E334-M337 HydrophobicContact CB-CE 4.14Å; E334-M337 HydrophobicContact CG-CE 3.77Å; M337-Y354 HydrophobicContact CB-CD1 3.8Å; M337-Y354 HydrophobicContact CB-CG 4.19Å; M337-Y354 HydrophobicContact CE-CD1 4.47Å; M337-Y354 HydrophobicContact CE-CG 4.41Å; M337-Y354 HydrophobicContact SD-CG 4.39Å; M337-L355 CarbonylContact C-O 3.57Å; M337-L355 VanDerWaalsContact CA-O 3.28Å; M337-L355 WeakPolarHBondContact CA-O 3.49Å; M337-R356 HydrophobicContact CG-CB 3.93Å; M337-R356 HydrophobicContact CG-CG 3.98Å; M337-R356 HydrophobicContact SD-CB 4.33Å; M337-R356 HydrophobicContact SD-CG 4.46Å; M337-I361 HydrophobicContact SD-CD1 4.4Å
338V97.8Very high96.1Very high11 Ų1159.3 Ų59.37%0.06729%0.291CS..EExtended strand (participates in β ladder)trans-98.6122.7173.9-175.30000108.3K311 K340 Y354 L355 G517K311-V338 HydrophobicContact CB-CG2 4.43Å; K311-V338 HydrophobicContact CG-CG2 4.28Å; K311-V338 CarbonylContact O-C 3.08Å; K311-V338 WeakPolarHBondContact O-CA 3.36Å; V338-K340 HydrophobicContact CG1-CD 4.21Å; V338-K340 PolarHBondContact O-N 2.98Å; V338-Y354 CarbonylContact O-C 3.59Å; V338-Y354 VanDerWaalsContact O-CA 3.27Å; V338-Y354 WeakPolarHBondContact O-CA 3.42Å; V338-L355 HydrophobicContact CB-CB 4.25Å; V338-L355 PolarHBondContact N-O 2.84Å; V338-L355 PolarHBondContact O-N 3.35Å; V338-G517 VanDerWaalsContact CG2-N 3.27Å
339L97.9Very high96Very high10 Ų1057.2 Ų57.25%0.05228%0.277CS..EExtended strand (participates in β ladder)trans-69.8116.4172.8178.957.9000109.1V304 K311 R313 L314 V352 Y354V304-L339 HydrophobicContact CB-CD2 4.38Å; V304-L339 HydrophobicContact CG1-CB 4.48Å; V304-L339 HydrophobicContact CG1-CD2 3.86Å; V304-L339 HydrophobicContact CG1-CG 3.82Å; V304-L339 HydrophobicContact CG2-CD1 4.45Å; V304-L339 HydrophobicContact CG2-CD2 3.82Å; V304-L339 HydrophobicContact CG2-CG 3.92Å; K311-L339 PolarHBondContact O-N 3.48Å; R313-L339 VanDerWaalsContact C-CD2 3.46Å; L314-L339 HydrophobicContact CB-CD2 4.14Å; L339-V352 HydrophobicContact CD1-CG1 3.16Å; L339-Y354 HydrophobicContact CB-CD1 4.17Å; L339-Y354 HydrophobicContact CB-CE1 3.88Å; L339-Y354 HydrophobicContact CD1-CD1 4.3Å; L339-Y354 HydrophobicContact CD1-CE1 3.88Å; L339-Y354 HydrophobicContact CG-CE1 4.41Å
340K96.1Very high95.9Very high66 Ų6653.1 Ų53.129%0.28726%0.256SS..EExtended strand (participates in β ladder)trans-95.5-47.1-174.2-69.4-56.3-55.2-179.30113.3V338 C353 L355V338-K340 HydrophobicContact CG1-CD 4.21Å; V338-K340 PolarHBondContact O-N 2.98Å; K340-C353 PolarHBondContact N-O 3.48Å; K340-L355 HydrophobicContact CD-CB 4.09Å; K340-L355 HydrophobicContact CD-CD2 4.48Å; K340-L355 HydrophobicContact CG-CB 3.84Å
341W96.5Very high95.9Very high46 Ų4651.4 Ų51.417%0.17425%0.247CC..EExtended strand (participates in β ladder)trans-159.7159.5179.152.6-104.9000110.2K343 F351 C353 V362 V383 F386W341-K343 HydrophobicContact CE3-CG 4.25Å; W341-K343 HydrophobicContact CZ3-CB 4.49Å; W341-K343 HydrophobicContact CZ3-CG 4.46Å; W341-F351 HydrophobicContact CZ3-CB 4.13Å; W341-C353 HydrophobicContact CD2-CB 3.35Å; W341-C353 HydrophobicContact CE3-CB 3.84Å; W341-C353 HydrophobicContact CG-CB 3.89Å; W341-C353 HydrophobicContact CH2-CB 3.76Å; W341-C353 HydrophobicContact CZ2-CB 3.3Å; W341-C353 HydrophobicContact CZ3-CB 4.01Å; W341-C353 PolarHBondContact O-N 2.86Å; W341-V362 HydrophobicContact CH2-CG1 4.42Å; W341-V362 HydrophobicContact CH2-CG2 4.46Å; W341-V383 HydrophobicContact CZ2-CG1 4.12Å; W341-F386 HydrophobicContact CH2-CB 4.04Å; W341-F386 HydrophobicContact CH2-CD1 4.15Å; W341-F386 AromaticContact CH2-CD2 3.42Å; W341-F386 HydrophobicContact CH2-CD2 3.42Å; W341-F386 VanDerWaalsContact CH2-CD2 3.42Å; W341-F386 AromaticContact CH2-CE2 3.83Å; W341-F386 HydrophobicContact CH2-CE2 3.83Å; W341-F386 AromaticContact CH2-CG 3.59Å; W341-F386 HydrophobicContact CH2-CG 3.59Å; W341-F386 HydrophobicContact CH2-CZ 4.37Å; W341-F386 HydrophobicContact CZ2-CB 4.06Å; W341-F386 HydrophobicContact CZ2-CD2 4.15Å; W341-F386 HydrophobicContact CZ2-CG 4.13Å; W341-F386 HydrophobicContact CZ3-CD1 4.21Å; W341-F386 HydrophobicContact CZ3-CD2 4.16Å; W341-F386 HydrophobicContact CZ3-CE1 4.34Å; W341-F386 HydrophobicContact CZ3-CE2 4.26Å; W341-F386 HydrophobicContact CZ3-CG 4.12Å; W341-F386 HydrophobicContact CZ3-CZ 4.36Å
342A98.1Very high96Very high2 Ų250.4 Ų50.42%0.01724%0.242CC..EExtended strand (participates in β ladder)trans-133.8143.8170.400000110.4C294 V304 L314 V350 F351 V352C294-A342 HydrophobicContact CB-CB 4.36Å; C294-A342 WeakPolarHBondContact CB-O 3.39Å; V304-A342 HydrophobicContact CG2-CB 4.11Å; L314-A342 HydrophobicContact CD1-CB 3.59Å; L314-A342 HydrophobicContact CD2-CB 4.46Å; A342-V350 HydrophobicContact CB-CG2 3.93Å; A342-F351 CarbonylContact C-O 3.57Å; A342-F351 VanDerWaalsContact CA-O 3.22Å; A342-F351 WeakPolarHBondContact CA-O 3.36Å; A342-V352 HydrophobicContact CB-CG2 4.46Å
343K97.5Very high96Very high77 Ų7747.2 Ų47.234%0.33522%0.215SC..EExtended strand (participates in β ladder)trans-137.3127.8177.9-76.8-66.7-172.8178.70111.1W341 V350 F351 F386W341-K343 HydrophobicContact CE3-CG 4.25Å; W341-K343 HydrophobicContact CZ3-CB 4.49Å; W341-K343 HydrophobicContact CZ3-CG 4.46Å; K343-V350 CarbonylContact O-C 3.53Å; K343-V350 WeakPolarHBondContact O-CA 3.12Å; K343-F351 PolarHBondContact N-O 3.49Å; K343-F351 PolarHBondContact O-N 2.61Å; K343-F386 HydrophobicContact CB-CD1 4.28Å; K343-F386 HydrophobicContact CB-CE1 3.72Å; K343-F386 HydrophobicContact CG-CD1 4.09Å; K343-F386 HydrophobicContact CG-CE1 4.04Å
344I97.1Very high96.1Very high7 Ų743.8 Ų43.84%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-78.3134.1173.6-57.5169.5000108.3L302 Y349 M367 S390L302-I344 HydrophobicContact CB-CD1 4.43Å; L302-I344 HydrophobicContact CD2-CD1 3.84Å; L302-I344 HydrophobicContact CD2-CG1 3.7Å; I344-Y349 CarbonylContact C-O 3.43Å; I344-Y349 VanDerWaalsContact CA-O 3.31Å; I344-Y349 WeakPolarHBondContact CA-O 3.39Å; I344-M367 HydrophobicContact CD1-CE 4.31Å; I344-M367 HydrophobicContact CG1-CE 4.36Å; I344-S390 VanDerWaalsContact O-CA 3.27Å; I344-S390 WeakPolarHBondContact O-CA 3.02Å
345I95.4Very high96.2Very high0 Ų039.9 Ų39.90%018%0.181CC..EExtended strand (participates in β ladder)trans-135.7142.1179.4-60.1-64.6000109.2S347 E348 Y349 F351 F386 G388 V395 L413I345-S347 PolarHBondContact O-N 2.88Å; I345-E348 PolarHBondContact O-N 3.01Å; I345-Y349 PolarHBondContact N-O 2.97Å; I345-Y349 PolarHBondContact O-N 2.68Å; I345-F351 HydrophobicContact CB-CD2 4.05Å; I345-F351 HydrophobicContact CB-CE2 3.96Å; I345-F351 HydrophobicContact CG1-CD2 3.65Å; I345-F351 HydrophobicContact CG1-CE2 3.92Å; I345-F351 HydrophobicContact CG2-CE2 4.26Å; I345-F386 HydrophobicContact CD1-CE1 4.2Å; I345-F386 HydrophobicContact CG1-CE1 4.43Å; I345-F386 HydrophobicContact CG1-CZ 4.35Å; I345-G388 WeakPolarHBondContact CD1-O 3.26Å; I345-V395 HydrophobicContact CB-CG2 4.33Å; I345-V395 HydrophobicContact CD1-CG2 3.81Å; I345-V395 HydrophobicContact CG1-CG2 3.78Å; I345-V395 HydrophobicContact CG2-CG2 3.68Å; I345-L413 HydrophobicContact CG2-CD1 4.1Å; I345-L413 HydrophobicContact CG2-CD2 4.06Å
346N92.9Very high96.3Very high45 Ų4535.7 Ų35.724%0.24117%0.165CC..THydrogen-bonded Turntrans52.325.6179-165.646000113.7E348 Y349 S390 E392N346-E348 WeakPolarHBondContact O-CG 3.42Å; N346-E348 PolarHBondContact O-N 3.3Å; N346-Y349 HydrophobicContact CB-CD2 4.2Å; N346-S390 CarbonylContact C-O 3.58Å; N346-S390 WeakPolarHBondContact CA-O 3.48Å; N346-S390 PolarHBondContact N-O 2.99Å; N346-E392 WeakPolarHBondContact CA-O 3.46Å; N346-E392 WeakPolarHBondContact CB-O 3.39Å; N346-E392 PolarHBondContact N-O 3.17Å
347S92.1Very high96Very high69 Ų6929.5 Ų29.548%0.48314%0.143SC..THydrogen-bonded Turntrans56.5-3.8-177.5-610000116.1I345 S390I345-S347 PolarHBondContact O-N 2.88Å; S347-S390 WeakPolarHBondContact CA-O 3.28Å; S347-S390 PolarHBondContact N-O 3Å; S347-S390 PolarHBondContact OG-O 3.08Å
348E91.6Very high95.8Very high98 Ų9828.7 Ų28.746%0.45814%0.14SC..THydrogen-bonded Turntrans-118-22.6-171.8-68.8-171.5161.200112.6I345 N346 Q366 M367I345-E348 PolarHBondContact O-N 3.01Å; N346-E348 WeakPolarHBondContact O-CG 3.42Å; N346-E348 PolarHBondContact O-N 3.3Å; E348-Q366 CarbonylContact O-C 3.53Å; E348-Q366 WeakPolarHBondContact O-CA 3.33Å; E348-M367 WeakPolarHBondContact O-CB 3.19Å; E348-M367 PolarHBondContact O-N 3.07Å
349Y94.8Very high95.7Very high17 Ų1729.4 Ų29.47%0.06714%0.142CC..EExtended strand (participates in β ladder)trans-118.4151.4-174-57-66.7000111.6I344 I345 N346 V364 F365 Q366 M373 L413 W420I344-Y349 CarbonylContact C-O 3.43Å; I344-Y349 VanDerWaalsContact CA-O 3.31Å; I344-Y349 WeakPolarHBondContact CA-O 3.39Å; I345-Y349 PolarHBondContact N-O 2.97Å; I345-Y349 PolarHBondContact O-N 2.68Å; N346-Y349 HydrophobicContact CB-CD2 4.2Å; Y349-V364 HydrophobicContact CD1-CG1 4.5Å; Y349-F365 CarbonylContact C-O 3.41Å; Y349-F365 VanDerWaalsContact CA-O 3.26Å; Y349-F365 WeakPolarHBondContact CA-O 2.9Å; Y349-Q366 HydrophobicContact CD1-CB 4.49Å; Y349-Q366 HydrophobicContact CE1-CB 4.48Å; Y349-M373 HydrophobicContact CD1-CG 4.44Å; Y349-M373 HydrophobicContact CE1-CE 3.8Å; Y349-M373 HydrophobicContact CE1-CG 4.43Å; Y349-L413 HydrophobicContact CD2-CD2 3.78Å; Y349-L413 HydrophobicContact CE2-CD2 4.4Å; Y349-L413 HydrophobicContact CG-CD2 4.39Å; Y349-W420 AromaticContact CD1-CH2 3.97Å; Y349-W420 HydrophobicContact CD1-CH2 3.97Å; Y349-W420 HydrophobicContact CD1-CZ2 4.07Å; Y349-W420 HydrophobicContact CD2-CH2 4.27Å; Y349-W420 AromaticContact CD2-CZ2 3.86Å; Y349-W420 HydrophobicContact CD2-CZ2 3.86Å; Y349-W420 HydrophobicContact CE1-CH2 4.05Å; Y349-W420 AromaticContact CE1-CZ2 3.78Å; Y349-W420 HydrophobicContact CE1-CZ2 3.78Å; Y349-W420 HydrophobicContact CE2-CH2 4.37Å; Y349-W420 AromaticContact CE2-CZ2 3.59Å; Y349-W420 HydrophobicContact CE2-CZ2 3.59Å; Y349-W420 HydrophobicContact CG-CH2 4.1Å; Y349-W420 HydrophobicContact CG-CZ2 4.13Å; Y349-W420 AromaticContact CZ-CZ2 3.57Å
350V97.1Very high95.7Very high0 Ų029.7 Ų29.70%014%0.143CC..EExtended strand (participates in β ladder)trans-123.7125.3165.159.40000110L302 L314 A342 K343 V352 V364 F365 M367 M370L302-V350 HydrophobicContact CD2-CG2 4.38Å; L314-V350 HydrophobicContact CD2-CG2 4.38Å; A342-V350 HydrophobicContact CB-CG2 3.93Å; K343-V350 CarbonylContact O-C 3.53Å; K343-V350 WeakPolarHBondContact O-CA 3.12Å; V350-V352 HydrophobicContact CG1-CG2 4.2Å; V350-V352 HydrophobicContact CG2-CG2 3.88Å; V350-V364 WeakPolarHBondContact O-CA 3.37Å; V350-F365 HydrophobicContact CG1-CB 3.83Å; V350-F365 PolarHBondContact N-O 3.41Å; V350-F365 PolarHBondContact O-N 3.38Å; V350-M367 HydrophobicContact CB-CG 4.3Å; V350-M367 HydrophobicContact CB-SD 3.47Å; V350-M367 WeakPolarHBondContact CB-SD 3.47Å; V350-M367 HydrophobicContact CG1-CG 4.45Å; V350-M367 HydrophobicContact CG1-SD 3.53Å; V350-M367 VanDerWaalsContact CG1-SD 3.53Å; V350-M367 HydrophobicContact CG2-SD 4.37Å; V350-M370 HydrophobicContact CG1-CE 3.96Å; V350-M370 HydrophobicContact CG1-SD 4.13Å
351F97.7Very high95.8Very high0 Ų027.7 Ų27.70%014%0.135CC..EExtended strand (participates in β ladder)trans-88.7129.6169-75.2-111.6000108W341 A342 K343 I345 V362 Q363 V364 L376 F386 V395 L413W341-F351 HydrophobicContact CZ3-CB 4.13Å; A342-F351 CarbonylContact C-O 3.57Å; A342-F351 VanDerWaalsContact CA-O 3.22Å; A342-F351 WeakPolarHBondContact CA-O 3.36Å; K343-F351 PolarHBondContact N-O 3.49Å; K343-F351 PolarHBondContact O-N 2.61Å; I345-F351 HydrophobicContact CB-CD2 4.05Å; I345-F351 HydrophobicContact CB-CE2 3.96Å; I345-F351 HydrophobicContact CG1-CD2 3.65Å; I345-F351 HydrophobicContact CG1-CE2 3.92Å; I345-F351 HydrophobicContact CG2-CE2 4.26Å; F351-V362 HydrophobicContact CB-CG1 4.43Å; F351-V362 HydrophobicContact CD1-CG1 3.96Å; F351-Q363 WeakPolarHBondContact CA-O 3.34Å; F351-V364 HydrophobicContact CD1-CG2 3.64Å; F351-V364 HydrophobicContact CD2-CG1 4.18Å; F351-V364 HydrophobicContact CD2-CG2 4.49Å; F351-V364 HydrophobicContact CE1-CG2 3.51Å; F351-V364 HydrophobicContact CE2-CG1 3.96Å; F351-V364 HydrophobicContact CE2-CG2 4.36Å; F351-V364 HydrophobicContact CG-CG2 4.15Å; F351-V364 HydrophobicContact CZ-CG1 4.17Å; F351-V364 HydrophobicContact CZ-CG2 3.89Å; F351-L376 HydrophobicContact CD1-CD1 4.27Å; F351-L376 HydrophobicContact CE1-CD1 4.12Å; F351-L376 HydrophobicContact CE1-CD2 4.38Å; F351-F386 HydrophobicContact CB-CE1 4.45Å; F351-F386 HydrophobicContact CB-CE2 4.03Å; F351-F386 HydrophobicContact CB-CZ 3.62Å; F351-F386 AromaticContact CD1-CE2 3.64Å; F351-F386 HydrophobicContact CD1-CE2 3.64Å; F351-F386 AromaticContact CD1-CZ 3.74Å; F351-F386 HydrophobicContact CD1-CZ 3.74Å; F351-F386 HydrophobicContact CD2-CZ 4.13Å; F351-F386 HydrophobicContact CE1-CE2 4.3Å; F351-F386 HydrophobicContact CE1-CZ 4.42Å; F351-F386 AromaticContact CG-CE2 3.94Å; F351-F386 HydrophobicContact CG-CE2 3.94Å; F351-F386 AromaticContact CG-CZ 3.56Å; F351-F386 HydrophobicContact CG-CZ 3.56Å; F351-V395 HydrophobicContact CE2-CG2 4.23Å; F351-V395 HydrophobicContact CZ-CG2 4.18Å; F351-L413 HydrophobicContact CE2-CD2 3.8Å; F351-L413 HydrophobicContact CZ-CD2 3.92Å
352V98.3Very high95.9Very high0 Ų025.5 Ų25.50%013%0.127CC..EExtended strand (participates in β ladder)trans-127.3115.9-172.8-174.90000108L331 L339 A342 V350 Y354 V362 Q363 F365L331-V352 HydrophobicContact CD1-CG1 4.07Å; L331-V352 HydrophobicContact CD1-CG2 3.91Å; L339-V352 HydrophobicContact CD1-CG1 3.16Å; A342-V352 HydrophobicContact CB-CG2 4.46Å; V350-V352 HydrophobicContact CG1-CG2 4.2Å; V350-V352 HydrophobicContact CG2-CG2 3.88Å; V352-Y354 HydrophobicContact CB-CE2 4.19Å; V352-Y354 HydrophobicContact CG1-CD2 4.04Å; V352-Y354 HydrophobicContact CG1-CE2 3.41Å; V352-Y354 VanDerWaalsContact CG1-CE2 3.41Å; V352-V362 WeakPolarHBondContact O-CA 3.5Å; V352-Q363 PolarHBondContact N-O 3.23Å; V352-Q363 PolarHBondContact O-N 3.48Å; V352-F365 HydrophobicContact CB-CD2 4.35Å; V352-F365 HydrophobicContact CB-CE2 4.11Å; V352-F365 HydrophobicContact CG2-CD2 3.75Å; V352-F365 HydrophobicContact CG2-CE2 3.93Å
353C98.3Very high95.8Very high0 Ų027 Ų270%013%0.134CC..EExtended strand (participates in β ladder)trans-97.1126.4177.2-174.30000110.8K340 W341 I361 V362K340-C353 PolarHBondContact N-O 3.48Å; W341-C353 HydrophobicContact CD2-CB 3.35Å; W341-C353 HydrophobicContact CE3-CB 3.84Å; W341-C353 HydrophobicContact CG-CB 3.89Å; W341-C353 HydrophobicContact CH2-CB 3.76Å; W341-C353 HydrophobicContact CZ2-CB 3.3Å; W341-C353 HydrophobicContact CZ3-CB 4.01Å; W341-C353 PolarHBondContact O-N 2.86Å; C353-I361 WeakPolarHBondContact CA-O 3.14Å; C353-V362 HydrophobicContact CB-CG2 4.36Å
354Y98.3Very high95.7Very high4 Ų423.4 Ų23.42%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-110.7147.5173.9-72.2-79.3000110.6E334 M337 V338 L339 V352 H360 I361 Q363E334-Y354 HydrophobicContact CB-CE1 4.43Å; E334-Y354 HydrophobicContact CG-CE1 4.07Å; M337-Y354 HydrophobicContact CB-CD1 3.8Å; M337-Y354 HydrophobicContact CB-CG 4.19Å; M337-Y354 HydrophobicContact CE-CD1 4.47Å; M337-Y354 HydrophobicContact CE-CG 4.41Å; M337-Y354 HydrophobicContact SD-CG 4.39Å; V338-Y354 CarbonylContact O-C 3.59Å; V338-Y354 VanDerWaalsContact O-CA 3.27Å; V338-Y354 WeakPolarHBondContact O-CA 3.42Å; L339-Y354 HydrophobicContact CB-CD1 4.17Å; L339-Y354 HydrophobicContact CB-CE1 3.88Å; L339-Y354 HydrophobicContact CD1-CD1 4.3Å; L339-Y354 HydrophobicContact CD1-CE1 3.88Å; L339-Y354 HydrophobicContact CG-CE1 4.41Å; V352-Y354 HydrophobicContact CB-CE2 4.19Å; V352-Y354 HydrophobicContact CG1-CD2 4.04Å; V352-Y354 HydrophobicContact CG1-CE2 3.41Å; V352-Y354 VanDerWaalsContact CG1-CE2 3.41Å; Y354-H360 CarbonylContact O-C 3.47Å; Y354-H360 VanDerWaalsContact O-CA 3.25Å; Y354-H360 WeakPolarHBondContact O-CA 3.35Å; Y354-I361 PolarHBondContact N-O 2.73Å; Y354-I361 PolarHBondContact O-N 2.86Å; Y354-Q363 HydrophobicContact CD2-CG 4.42Å; Y354-Q363 VanDerWaalsContact CE2-OE1 3.26Å
355L97.9Very high95.7Very high0 Ų023.8 Ų23.80%012%0.12CC..EExtended strand (participates in β ladder)trans-98.9114.8163.4175.459.2000109M337 V338 K340 G357 L487M337-L355 CarbonylContact C-O 3.57Å; M337-L355 VanDerWaalsContact CA-O 3.28Å; M337-L355 WeakPolarHBondContact CA-O 3.49Å; V338-L355 HydrophobicContact CB-CB 4.25Å; V338-L355 PolarHBondContact N-O 2.84Å; V338-L355 PolarHBondContact O-N 3.35Å; K340-L355 HydrophobicContact CD-CB 4.09Å; K340-L355 HydrophobicContact CD-CD2 4.48Å; K340-L355 HydrophobicContact CG-CB 3.84Å; L355-G357 WeakPolarHBondContact CD1-O 3.43Å; L355-G357 WeakPolarHBondContact CG-O 3.25Å; L355-L487 HydrophobicContact CD1-CD1 4.43Å; L355-L487 HydrophobicContact CD1-CD2 3.43Å; L355-L487 VanDerWaalsContact CD1-CD2 3.43Å; L355-L487 HydrophobicContact CD2-CD2 4.07Å; L355-L487 HydrophobicContact CG-CD2 4.42Å
356R95.4Very high95.6Very high128 Ų12827 Ų2748%0.48313%0.134SC..EExtended strand (participates in β ladder)trans-104.393.1176.3-173.5178.5176.4178.5-3.9109.7M337 T358 H359 I361M337-R356 HydrophobicContact CG-CB 3.93Å; M337-R356 HydrophobicContact CG-CG 3.98Å; M337-R356 HydrophobicContact SD-CB 4.33Å; M337-R356 HydrophobicContact SD-CG 4.46Å; R356-T358 PolarHBondContact O-N 3Å; R356-H359 PolarHBondContact N-O 3.27Å; R356-H359 PolarHBondContact O-CE1 3.03Å; R356-H359 VanDerWaalsContact O-CE1 3.25Å; R356-H359 PolarHBondContact O-ND1 2.63Å; R356-I361 HydrophobicContact CB-CD1 3.71Å; R356-I361 HydrophobicContact CB-CG1 4.31Å; R356-I361 VanDerWaalsContact CD-CD1 3.46Å; R356-I361 HydrophobicContact CG-CD1 4.24Å
357G89.2Confident95.7Very high18 Ų1825.1 Ų25.119%0.18612%0.124CC..THydrogen-bonded Turntrans68.3-96.2-169.600000109.9L355L355-G357 WeakPolarHBondContact CD1-O 3.43Å; L355-G357 WeakPolarHBondContact CG-O 3.25Å
358T91.8Very high95.8Very high5 Ų526.9 Ų26.93%0.03113%0.125CC..THydrogen-bonded Turntrans-124.213-173.5620000114.1R356 R442 P454 P488 N509 E515R356-T358 PolarHBondContact O-N 3Å; T358-R442 PolarHBondContact OG1-NE 3.4Å; T358-R442 PolarHBondContact OG1-NH2 3.5Å; T358-P454 HydrophobicContact CG2-CB 4.27Å; T358-P488 WeakPolarHBondContact O-CD 3.19Å; T358-N509 HydrophobicContact CG2-CB 4.23Å; T358-N509 VanDerWaalsContact CG2-CG 3.46Å; T358-N509 WeakPolarHBondContact CG2-OD1 3.47Å; T358-E515 HydrophobicContact CG2-CG 4.39Å
359H96.5Very high95.9Very high26 Ų2625.3 Ų25.312%0.1214%0.135CC..EExtended strand (participates in β ladder)trans-138.8154.9175.761.5-75.6000112.2R356 Q380 C381 R442R356-H359 PolarHBondContact N-O 3.27Å; R356-H359 PolarHBondContact O-CE1 3.03Å; R356-H359 VanDerWaalsContact O-CE1 3.25Å; R356-H359 PolarHBondContact O-ND1 2.63Å; H359-Q380 HydrophobicContact CB-CB 4.26Å; H359-C381 WeakPolarHBondContact CB-O 3.34Å; H359-R442 PolarHBondContact ND1-NH1 3.22Å
360H98.2Very high95.9Very high15 Ų1525.7 Ų25.77%0.06914%0.138CC..EExtended strand (participates in β ladder)trans-79.7147.4179.1-71.1171.1000112.4Y354 C381 V383 L487Y354-H360 CarbonylContact O-C 3.47Å; Y354-H360 VanDerWaalsContact O-CA 3.25Å; Y354-H360 WeakPolarHBondContact O-CA 3.35Å; H360-C381 PolarHBondContact N-O 2.7Å; H360-V383 HydrophobicContact CB-CB 4.41Å; H360-V383 HydrophobicContact CB-CG2 3.95Å; H360-V383 PolarHBondContact ND1-N 2.66Å; H360-V383 PolarHBondContact ND1-O 2.79Å; H360-L487 VanDerWaalsContact NE2-CD1 3.3Å; H360-L487 WeakPolarHBondContact NE2-CD1 3.42Å
361I97.4Very high95.9Very high25 Ų2529.3 Ų29.313%0.12816%0.16CC..EExtended strand (participates in β ladder)trans-131.9132168.9-62.8-178.6000106.7M337 C353 Y354 R356 Q363 C375M337-I361 HydrophobicContact SD-CD1 4.4Å; C353-I361 WeakPolarHBondContact CA-O 3.14Å; Y354-I361 PolarHBondContact N-O 2.73Å; Y354-I361 PolarHBondContact O-N 2.86Å; R356-I361 HydrophobicContact CB-CD1 3.71Å; R356-I361 HydrophobicContact CB-CG1 4.31Å; R356-I361 VanDerWaalsContact CD-CD1 3.46Å; R356-I361 HydrophobicContact CG-CD1 4.24Å; I361-Q363 HydrophobicContact CG2-CG 4.33Å; I361-C375 WeakPolarHBondContact CG2-SG 3.34Å
362V97.7Very high95.7Very high0 Ų034.3 Ų34.30%018%0.182CC..EExtended strand (participates in β ladder)trans-112.5119.3177-175.70000109.3W341 F351 V352 C353 C375 L376 L378 V383 L397W341-V362 HydrophobicContact CH2-CG1 4.42Å; W341-V362 HydrophobicContact CH2-CG2 4.46Å; F351-V362 HydrophobicContact CB-CG1 4.43Å; F351-V362 HydrophobicContact CD1-CG1 3.96Å; V352-V362 WeakPolarHBondContact O-CA 3.5Å; C353-V362 HydrophobicContact CB-CG2 4.36Å; V362-C375 WeakPolarHBondContact O-CA 3.49Å; V362-L376 HydrophobicContact CB-CB 4.27Å; V362-L376 HydrophobicContact CB-CD1 3.78Å; V362-L376 HydrophobicContact CB-CG 3.97Å; V362-L376 HydrophobicContact CG1-CD1 3.62Å; V362-L376 HydrophobicContact CG1-CG 4Å; V362-L376 PolarHBondContact O-N 3.03Å; V362-L378 HydrophobicContact CG2-CD1 4.07Å; V362-V383 HydrophobicContact CG2-CG2 3.89Å; V362-L397 HydrophobicContact CG2-CD1 4.23Å
363Q96.6Very high95.4Very high34 Ų3435.4 Ų35.416%0.15919%0.187CC..EExtended strand (participates in β ladder)trans-105.6147.8174.3-66.1-178.2-19.700109.5F351 V352 Y354 I361 F365 F372 S374F351-Q363 WeakPolarHBondContact CA-O 3.34Å; V352-Q363 PolarHBondContact N-O 3.23Å; V352-Q363 PolarHBondContact O-N 3.48Å; Y354-Q363 HydrophobicContact CD2-CG 4.42Å; Y354-Q363 VanDerWaalsContact CE2-OE1 3.26Å; I361-Q363 HydrophobicContact CG2-CG 4.33Å; Q363-F365 HydrophobicContact CB-CD2 4.4Å; Q363-F365 HydrophobicContact CB-CE2 3.58Å; Q363-F365 HydrophobicContact CB-CZ 4.11Å; Q363-F372 HydrophobicContact CB-CE2 4.14Å; Q363-F372 HydrophobicContact CG-CE2 4.05Å; Q363-S374 CarbonylContact C-O 3.58Å; Q363-S374 WeakPolarHBondContact CA-O 3.47Å
364V95.7Very high95Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-117.3134.7176.4-169.20000108.1Y349 V350 F351 M373 S374 L376 W420Y349-V364 HydrophobicContact CD1-CG1 4.5Å; V350-V364 WeakPolarHBondContact O-CA 3.37Å; F351-V364 HydrophobicContact CD1-CG2 3.64Å; F351-V364 HydrophobicContact CD2-CG1 4.18Å; F351-V364 HydrophobicContact CD2-CG2 4.49Å; F351-V364 HydrophobicContact CE1-CG2 3.51Å; F351-V364 HydrophobicContact CE2-CG1 3.96Å; F351-V364 HydrophobicContact CE2-CG2 4.36Å; F351-V364 HydrophobicContact CG-CG2 4.15Å; F351-V364 HydrophobicContact CZ-CG1 4.17Å; F351-V364 HydrophobicContact CZ-CG2 3.89Å; V364-M373 HydrophobicContact CB-CB 4.28Å; V364-M373 HydrophobicContact CG1-CB 4.36Å; V364-M373 WeakPolarHBondContact O-CA 3.17Å; V364-M373 VanDerWaalsContact O-CB 3.28Å; V364-M373 WeakPolarHBondContact O-CB 3.09Å; V364-M373 PolarHBondContact O-N 3.43Å; V364-S374 PolarHBondContact N-O 3.32Å; V364-S374 PolarHBondContact O-N 3.22Å; V364-L376 HydrophobicContact CG2-CD2 3.92Å; V364-L376 HydrophobicContact CG2-CG 4.39Å; V364-W420 HydrophobicContact CB-CZ3 4.48Å; V364-W420 HydrophobicContact CG1-CH2 3.84Å; V364-W420 HydrophobicContact CG1-CZ3 4.01Å
365F96Very high94.8Very high16 Ų1640 Ų407%0.0722%0.219CC..EExtended strand (participates in β ladder)trans-125.9150.3175.4-58.8-99.8000109.7L331 Y349 V350 V352 Q363 M370 V371 F372L331-F365 HydrophobicContact CD1-CD2 4.27Å; L331-F365 HydrophobicContact CD1-CE2 3.91Å; L331-F365 HydrophobicContact CD1-CZ 4.18Å; L331-F365 HydrophobicContact CD2-CD1 4.32Å; L331-F365 HydrophobicContact CD2-CE1 3.88Å; L331-F365 HydrophobicContact CD2-CE2 4.44Å; L331-F365 HydrophobicContact CD2-CZ 3.95Å; Y349-F365 CarbonylContact C-O 3.41Å; Y349-F365 VanDerWaalsContact CA-O 3.26Å; Y349-F365 WeakPolarHBondContact CA-O 2.9Å; V350-F365 HydrophobicContact CG1-CB 3.83Å; V350-F365 PolarHBondContact N-O 3.41Å; V350-F365 PolarHBondContact O-N 3.38Å; V352-F365 HydrophobicContact CB-CD2 4.35Å; V352-F365 HydrophobicContact CB-CE2 4.11Å; V352-F365 HydrophobicContact CG2-CD2 3.75Å; V352-F365 HydrophobicContact CG2-CE2 3.93Å; Q363-F365 HydrophobicContact CB-CD2 4.4Å; Q363-F365 HydrophobicContact CB-CE2 3.58Å; Q363-F365 HydrophobicContact CB-CZ 4.11Å; F365-M370 HydrophobicContact CB-CE 3.8Å; F365-M370 HydrophobicContact CD1-CE 4.19Å; F365-M370 HydrophobicContact CD2-CE 4.33Å; F365-M370 HydrophobicContact CG-CE 3.87Å; F365-V371 CarbonylContact C-O 3.16Å; F365-V371 VanDerWaalsContact CA-O 3.27Å; F365-V371 WeakPolarHBondContact CA-O 3.28Å; F365-F372 HydrophobicContact CD1-CB 4.08Å; F365-F372 HydrophobicContact CD1-CD2 4.31Å; F365-F372 HydrophobicContact CE1-CB 3.94Å; F365-F372 AromaticContact CE1-CD2 3.77Å; F365-F372 HydrophobicContact CE1-CD2 3.77Å; F365-F372 HydrophobicContact CE1-CG 4.36Å; F365-F372 AromaticContact CZ-CD2 3.95Å; F365-F372 HydrophobicContact CZ-CD2 3.95Å
366Q94.8Very high94.6Very high66 Ų6640.7 Ų40.731%0.30822%0.223SC..EExtended strand (participates in β ladder)trans-77.1129.9162.7-173.8173.3-7.400108.2E348 Y349 E368 M370 V371 M373E348-Q366 CarbonylContact O-C 3.53Å; E348-Q366 WeakPolarHBondContact O-CA 3.33Å; Y349-Q366 HydrophobicContact CD1-CB 4.49Å; Y349-Q366 HydrophobicContact CE1-CB 4.48Å; Q366-E368 VanDerWaalsContact C-N 3.32Å; Q366-E368 PolarHBondContact O-N 3.02Å; Q366-M370 CarbonylContact O-C 3.59Å; Q366-M370 WeakPolarHBondContact O-CA 3.4Å; Q366-M370 PolarHBondContact O-N 3.45Å; Q366-M370 VanDerWaalsContact O-N 3.17Å; Q366-V371 HydrophobicContact CB-CB 4.28Å; Q366-V371 PolarHBondContact N-O 3.24Å; Q366-V371 PolarHBondContact O-N 3.11Å; Q366-M373 HydrophobicContact CB-CE 4.33Å; Q366-M373 HydrophobicContact CB-CG 4.15Å; Q366-M373 HydrophobicContact CB-SD 4.29Å
367M94.3Very high94.4Very high6 Ų642.7 Ų42.73%0.0324%0.242CC..THydrogen-bonded Turntrans-60.6-41.3-177.6-77.1-63.9-72.800112.2Y297 L302 I344 E348 V350 G369 M370Y297-M367 HydrophobicContact CD1-CE 3.59Å; Y297-M367 HydrophobicContact CD2-CB 4.13Å; Y297-M367 HydrophobicContact CD2-CE 3.53Å; Y297-M367 HydrophobicContact CD2-CG 4.18Å; Y297-M367 HydrophobicContact CE1-CB 4.24Å; Y297-M367 HydrophobicContact CE1-CE 4.13Å; Y297-M367 HydrophobicContact CE2-CB 3.5Å; Y297-M367 HydrophobicContact CE2-CE 4.08Å; Y297-M367 HydrophobicContact CE2-CG 4.01Å; Y297-M367 HydrophobicContact CG-CE 3.25Å; L302-M367 HydrophobicContact CD2-CE 4.41Å; I344-M367 HydrophobicContact CD1-CE 4.31Å; I344-M367 HydrophobicContact CG1-CE 4.36Å; E348-M367 WeakPolarHBondContact O-CB 3.19Å; E348-M367 PolarHBondContact O-N 3.07Å; V350-M367 HydrophobicContact CB-CG 4.3Å; V350-M367 HydrophobicContact CB-SD 3.47Å; V350-M367 WeakPolarHBondContact CB-SD 3.47Å; V350-M367 HydrophobicContact CG1-CG 4.45Å; V350-M367 HydrophobicContact CG1-SD 3.53Å; V350-M367 VanDerWaalsContact CG1-SD 3.53Å; V350-M367 HydrophobicContact CG2-SD 4.37Å; M367-G369 PolarHBondContact O-N 2.74Å; M367-M370 PolarHBondContact O-N 2.68Å; M367-M370 HydrophobicContact SD-SD 4.49Å
368E93.6Very high94.6Very high106 Ų10643.2 Ų43.250%0.49524%0.241SC..G310 helixtrans-69117.6173.7-168.664.9-137.100109.7Y297 K298 Q366 M370Y297-E368 PolarHBondContact OH-OE2 3.26Å; K298-E368 IonicContact NZ-OE2 4Å; K298-E368 PolarHBondContact NZ-OE2 3.19Å; Q366-E368 VanDerWaalsContact C-N 3.32Å; Q366-E368 PolarHBondContact O-N 3.02Å; E368-M370 PolarHBondContact O-N 3.26Å; E368-M370 VanDerWaalsContact O-N 3.16Å
369G93.9Very high94.7Very high66 Ų6645.7 Ų45.768%0.6826%0.257SS*.G310 helixtrans69.82.3-179.400000115.6M367 V371M367-G369 PolarHBondContact O-N 2.74Å; G369-V371 PolarHBondContact O-N 2.89Å
370M96.1Very high94.6Very high24 Ų2449.8 Ų49.812%0.11828%0.276CS..G310 helixtrans52.440-178.4-69.5-62-56.400113.5L314 L330 L331 V350 F365 Q366 M367 E368 F372L314-M370 HydrophobicContact CD2-CE 4.19Å; L330-M370 HydrophobicContact CB-CE 4.3Å; L330-M370 HydrophobicContact CB-CG 3.82Å; L330-M370 HydrophobicContact CB-SD 4.01Å; L330-M370 HydrophobicContact CD1-CG 4.31Å; L330-M370 HydrophobicContact CD1-SD 3.87Å; L330-M370 HydrophobicContact CD2-CG 3.87Å; L330-M370 HydrophobicContact CG-CG 4.22Å; L330-M370 HydrophobicContact CG-SD 4.37Å; L331-M370 HydrophobicContact CD1-CE 3.78Å; L331-M370 HydrophobicContact CD2-CE 3.65Å; L331-M370 HydrophobicContact CG-CE 3.53Å; V350-M370 HydrophobicContact CG1-CE 3.96Å; V350-M370 HydrophobicContact CG1-SD 4.13Å; F365-M370 HydrophobicContact CB-CE 3.8Å; F365-M370 HydrophobicContact CD1-CE 4.19Å; F365-M370 HydrophobicContact CD2-CE 4.33Å; F365-M370 HydrophobicContact CG-CE 3.87Å; Q366-M370 CarbonylContact O-C 3.59Å; Q366-M370 WeakPolarHBondContact O-CA 3.4Å; Q366-M370 PolarHBondContact O-N 3.45Å; Q366-M370 VanDerWaalsContact O-N 3.17Å; M367-M370 PolarHBondContact O-N 2.68Å; M367-M370 HydrophobicContact SD-SD 4.49Å; E368-M370 PolarHBondContact O-N 3.26Å; E368-M370 VanDerWaalsContact O-N 3.16Å; M370-F372 PolarHBondContact O-N 2.82Å
371V95.4Very high94.5Very high77 Ų7749.1 Ų49.147%0.46727%0.273SS..EExtended strand (participates in β ladder)trans-69.8123.1-178.5-178.30000109.7F365 Q366 G369 M373F365-V371 CarbonylContact C-O 3.16Å; F365-V371 VanDerWaalsContact CA-O 3.27Å; F365-V371 WeakPolarHBondContact CA-O 3.28Å; Q366-V371 HydrophobicContact CB-CB 4.28Å; Q366-V371 PolarHBondContact N-O 3.24Å; Q366-V371 PolarHBondContact O-N 3.11Å; G369-V371 PolarHBondContact O-N 2.89Å; V371-M373 HydrophobicContact CG1-SD 4.44Å; V371-M373 WeakPolarHBondContact O-CG 3.5Å; V371-M373 PolarHBondContact O-N 2.7Å
372F95Very high94.6Very high104 Ų10448.7 Ų48.746%0.45627%0.271SS..EExtended strand (participates in β ladder)trans-61.5123.5176.4176.2-102.5000111Q363 F365 M370 S374 C375Q363-F372 HydrophobicContact CB-CE2 4.14Å; Q363-F372 HydrophobicContact CG-CE2 4.05Å; F365-F372 HydrophobicContact CD1-CB 4.08Å; F365-F372 HydrophobicContact CD1-CD2 4.31Å; F365-F372 HydrophobicContact CE1-CB 3.94Å; F365-F372 AromaticContact CE1-CD2 3.77Å; F365-F372 HydrophobicContact CE1-CD2 3.77Å; F365-F372 HydrophobicContact CE1-CG 4.36Å; F365-F372 AromaticContact CZ-CD2 3.95Å; F365-F372 HydrophobicContact CZ-CD2 3.95Å; M370-F372 PolarHBondContact O-N 2.82Å; F372-S374 WeakPolarHBondContact CE2-O 3.47Å; F372-C375 HydrophobicContact CZ-CB 4.22Å
373M91.4Very high94.6Very high24 Ų2449.2 Ų49.212%0.11827%0.274CS..EExtended strand (participates in β ladder)trans-99.1-58.3-176.5-65.9-54.9-108.600112Y349 V364 Q366 V371 K417Y349-M373 HydrophobicContact CD1-CG 4.44Å; Y349-M373 HydrophobicContact CE1-CE 3.8Å; Y349-M373 HydrophobicContact CE1-CG 4.43Å; V364-M373 HydrophobicContact CB-CB 4.28Å; V364-M373 HydrophobicContact CG1-CB 4.36Å; V364-M373 WeakPolarHBondContact O-CA 3.17Å; V364-M373 VanDerWaalsContact O-CB 3.28Å; V364-M373 WeakPolarHBondContact O-CB 3.09Å; V364-M373 PolarHBondContact O-N 3.43Å; Q366-M373 HydrophobicContact CB-CE 4.33Å; Q366-M373 HydrophobicContact CB-CG 4.15Å; Q366-M373 HydrophobicContact CB-SD 4.29Å; V371-M373 HydrophobicContact CG1-SD 4.44Å; V371-M373 WeakPolarHBondContact O-CG 3.5Å; V371-M373 PolarHBondContact O-N 2.7Å; M373-K417 VanDerWaalsContact CA-NZ 3.26Å; M373-K417 HydrophobicContact CB-CD 4.45Å; M373-K417 HydrophobicContact CE-CB 4.02Å; M373-K417 HydrophobicContact CE-CD 3.47Å; M373-K417 VanDerWaalsContact CE-CD 3.47Å; M373-K417 HydrophobicContact CE-CG 3.83Å; M373-K417 WeakPolarHBondContact O-CE 3.46Å; M373-K417 PolarHBondContact O-NZ 3.37Å; M373-K417 HydrophobicContact SD-CD 3.88Å; M373-K417 PolarHBondContact SD-NZ 3.19Å
374S90.4Very high94.6Very high33 Ų3351.5 Ų51.523%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-160.1164.5-179.464.70000111Q363 V364 F372Q363-S374 CarbonylContact C-O 3.58Å; Q363-S374 WeakPolarHBondContact CA-O 3.47Å; V364-S374 PolarHBondContact N-O 3.32Å; V364-S374 PolarHBondContact O-N 3.22Å; F372-S374 WeakPolarHBondContact CE2-O 3.47Å
375C93.2Very high94.7Very high67 Ų6752 Ų5245%0.45330%0.295SS..EExtended strand (participates in β ladder)trans-107.3127.4159.7-1770000106.7I361 V362 F372 L377I361-C375 WeakPolarHBondContact CG2-SG 3.34Å; V362-C375 WeakPolarHBondContact O-CA 3.49Å; F372-C375 HydrophobicContact CZ-CB 4.22Å; C375-L377 PolarHBondContact O-N 2.98Å
376L93.6Very high94.8Very high14 Ų1453 Ų537%0.07330%0.3CS..  trans-62.6134.4177-56.9-169.8000109.3F351 V362 V364 L378 L397 Y411F351-L376 HydrophobicContact CD1-CD1 4.27Å; F351-L376 HydrophobicContact CE1-CD1 4.12Å; F351-L376 HydrophobicContact CE1-CD2 4.38Å; V362-L376 HydrophobicContact CB-CB 4.27Å; V362-L376 HydrophobicContact CB-CD1 3.78Å; V362-L376 HydrophobicContact CB-CG 3.97Å; V362-L376 HydrophobicContact CG1-CD1 3.62Å; V362-L376 HydrophobicContact CG1-CG 4Å; V362-L376 PolarHBondContact O-N 3.03Å; V364-L376 HydrophobicContact CG2-CD2 3.92Å; V364-L376 HydrophobicContact CG2-CG 4.39Å; L376-L378 VanDerWaalsContact C-N 3.32Å; L376-L378 HydrophobicContact CB-CD1 4.36Å; L376-L378 HydrophobicContact CB-CG 4.08Å; L376-L378 PolarHBondContact O-N 3.42Å; L376-L397 HydrophobicContact CD1-CD1 3.81Å; L376-Y411 HydrophobicContact CD1-CE1 4.39Å; L376-Y411 HydrophobicContact CD1-CE2 4.08Å; L376-Y411 HydrophobicContact CD2-CD1 4.42Å; L376-Y411 HydrophobicContact CD2-CE1 3.72Å
377L92.1Very high94.9Very high170 Ų17051 Ų5189%0.8929%0.292SS*.  trans-78.783.2179.4-173.665.7000109.6C375C375-L377 PolarHBondContact O-N 2.98Å
378L93.7Very high94.9Very high30 Ų3051.4 Ų51.416%0.15730%0.299CS..  trans-109.4146.5177.3-57178.6000110.1V362 L376 V383 L397 Y399 L409V362-L378 HydrophobicContact CG2-CD1 4.07Å; L376-L378 VanDerWaalsContact C-N 3.32Å; L376-L378 HydrophobicContact CB-CD1 4.36Å; L376-L378 HydrophobicContact CB-CG 4.08Å; L376-L378 PolarHBondContact O-N 3.42Å; L378-V383 HydrophobicContact CD1-CG2 3.91Å; L378-L397 HydrophobicContact CD1-CD1 4.25Å; L378-L397 HydrophobicContact CD1-CD2 4.32Å; L378-L397 HydrophobicContact CD2-CD2 4.16Å; L378-Y399 HydrophobicContact CD2-CD1 3.86Å; L378-Y399 HydrophobicContact CD2-CE1 4.02Å; L378-L409 HydrophobicContact CD2-CD1 3.67Å
379P93Very high95Very high57 Ų5747.9 Ų47.937%0.3728%0.281SS..  trans-67.2179.616930.3-33.2000110.4C381 Y399P379-C381 VanDerWaalsContact C-N 3.31Å; P379-C381 HydrophobicContact CG-CB 4.27Å; P379-C381 PolarHBondContact O-N 3.13Å; P379-C381 PolarHBondContact O-SG 2.94Å; P379-Y399 HydrophobicContact CG-CD2 4.13Å; P379-Y399 HydrophobicContact CG-CE2 3.47Å; P379-Y399 VanDerWaalsContact CG-CE2 3.47Å
380Q93.6Very high95.1Very high112 Ų11245.9 Ų45.952%0.52326%0.257SS..SBendtrans-67.692.8170.3-63.7-176.318.600109.9H359H359-Q380 HydrophobicContact CB-CB 4.26Å
381C96.9Very high94.9Very high0 Ų050 Ų500%027%0.272CS..BIsolated β-bridgetrans-133175.1-168.767.50000112.1H359 H360 P379 Y399 T400H359-C381 WeakPolarHBondContact CB-O 3.34Å; H360-C381 PolarHBondContact N-O 2.7Å; P379-C381 VanDerWaalsContact C-N 3.31Å; P379-C381 HydrophobicContact CG-CB 4.27Å; P379-C381 PolarHBondContact O-N 3.13Å; P379-C381 PolarHBondContact O-SG 2.94Å; C381-Y399 HydrophobicContact CB-CD2 3.65Å; C381-Y399 HydrophobicContact CB-CE2 4.49Å; C381-Y399 HydrophobicContact CB-CG 4.12Å; C381-T400 CarbonylContact C-O 3.55Å; C381-T400 VanDerWaalsContact CA-O 3.3Å; C381-T400 WeakPolarHBondContact CA-O 3.36Å; C381-T400 WeakPolarHBondContact CB-O 3.31Å
382T98.5Very high94.9Very high16 Ų1647.2 Ų47.210%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-109.3121.9161.5-53.90000108.1V384 Y399 T400 L487 P488T382-V384 HydrophobicContact CG2-CG1 3.84Å; T382-V384 PolarHBondContact O-N 3.45Å; T382-Y399 CarbonylContact O-C 3.52Å; T382-Y399 WeakPolarHBondContact O-CA 3.37Å; T382-Y399 WeakPolarHBondContact O-CB 3.46Å; T382-T400 PolarHBondContact N-O 3.04Å; T382-T400 PolarHBondContact O-N 2.8Å; T382-L487 HydrophobicContact CG2-CB 4.05Å; T382-L487 HydrophobicContact CG2-CD1 3.75Å; T382-L487 WeakPolarHBondContact OG1-CB 3.43Å; T382-P488 VanDerWaalsContact CB-O 3.24Å; T382-P488 WeakPolarHBondContact CB-O 3.31Å; T382-P488 PolarHBondContact OG1-O 2.9Å
383V98.3Very high94.8Very high11 Ų1144.2 Ų44.27%0.06725%0.246CC..EExtended strand (participates in β ladder)trans-70.6115.9164.3-178.50000108.1W341 H360 V362 L378 L397W341-V383 HydrophobicContact CZ2-CG1 4.12Å; H360-V383 HydrophobicContact CB-CB 4.41Å; H360-V383 HydrophobicContact CB-CG2 3.95Å; H360-V383 PolarHBondContact ND1-N 2.66Å; H360-V383 PolarHBondContact ND1-O 2.79Å; V362-V383 HydrophobicContact CG2-CG2 3.89Å; L378-V383 HydrophobicContact CD1-CG2 3.91Å; V383-L397 HydrophobicContact CG1-CD1 4.19Å; V383-L397 HydrophobicContact CG1-CD2 4.33Å; V383-L397 HydrophobicContact CG1-CG 3.94Å; V383-L397 HydrophobicContact CG2-CD1 4.31Å; V383-L397 HydrophobicContact CG2-CD2 4.35Å
384V97.3Very high94.9Very high82 Ų8243.8 Ų43.850%0.49724%0.244SC..EExtended strand (participates in β ladder)trans-113.2-6.1-175.6-68.50000113.1T382 K398 T400T382-V384 HydrophobicContact CG2-CG1 3.84Å; T382-V384 PolarHBondContact O-N 3.45Å; V384-K398 HydrophobicContact CG2-CB 4.3Å; V384-K398 HydrophobicContact CG2-CD 4.16Å; V384-K398 HydrophobicContact CG2-CG 3.88Å; V384-K398 PolarHBondContact N-O 2.05Å; V384-T400 HydrophobicContact CG1-CG2 3.58Å; V384-T400 HydrophobicContact CG2-CG2 4.16Å
385G97.2Very high95.2Very high10 Ų1042.2 Ų42.210%0.10323%0.233CC..EExtended strand (participates in β ladder)trans-151.7137.7171.500000110.2L397 K398G385-L397 CarbonylContact O-C 3.32Å; G385-L397 WeakPolarHBondContact O-CA 3.5Å; G385-K398 PolarHBondContact N-O 3.46Å; G385-K398 VanDerWaalsContact N-O 3.09Å; G385-K398 PolarHBondContact O-N 3.1Å
386F97.7Very high95.4Very high37 Ų3739.2 Ų39.216%0.16221%0.212CC..EExtended strand (participates in β ladder)trans-147.3119.9173.3-175.1-83.8000107.8W341 K343 I345 F351 V395 F396 L397W341-F386 HydrophobicContact CH2-CB 4.04Å; W341-F386 HydrophobicContact CH2-CD1 4.15Å; W341-F386 AromaticContact CH2-CD2 3.42Å; W341-F386 HydrophobicContact CH2-CD2 3.42Å; W341-F386 VanDerWaalsContact CH2-CD2 3.42Å; W341-F386 AromaticContact CH2-CE2 3.83Å; W341-F386 HydrophobicContact CH2-CE2 3.83Å; W341-F386 AromaticContact CH2-CG 3.59Å; W341-F386 HydrophobicContact CH2-CG 3.59Å; W341-F386 HydrophobicContact CH2-CZ 4.37Å; W341-F386 HydrophobicContact CZ2-CB 4.06Å; W341-F386 HydrophobicContact CZ2-CD2 4.15Å; W341-F386 HydrophobicContact CZ2-CG 4.13Å; W341-F386 HydrophobicContact CZ3-CD1 4.21Å; W341-F386 HydrophobicContact CZ3-CD2 4.16Å; W341-F386 HydrophobicContact CZ3-CE1 4.34Å; W341-F386 HydrophobicContact CZ3-CE2 4.26Å; W341-F386 HydrophobicContact CZ3-CG 4.12Å; W341-F386 HydrophobicContact CZ3-CZ 4.36Å; K343-F386 HydrophobicContact CB-CD1 4.28Å; K343-F386 HydrophobicContact CB-CE1 3.72Å; K343-F386 HydrophobicContact CG-CD1 4.09Å; K343-F386 HydrophobicContact CG-CE1 4.04Å; I345-F386 HydrophobicContact CD1-CE1 4.2Å; I345-F386 HydrophobicContact CG1-CE1 4.43Å; I345-F386 HydrophobicContact CG1-CZ 4.35Å; F351-F386 HydrophobicContact CB-CE1 4.45Å; F351-F386 HydrophobicContact CB-CE2 4.03Å; F351-F386 HydrophobicContact CB-CZ 3.62Å; F351-F386 AromaticContact CD1-CE2 3.64Å; F351-F386 HydrophobicContact CD1-CE2 3.64Å; F351-F386 AromaticContact CD1-CZ 3.74Å; F351-F386 HydrophobicContact CD1-CZ 3.74Å; F351-F386 HydrophobicContact CD2-CZ 4.13Å; F351-F386 HydrophobicContact CE1-CE2 4.3Å; F351-F386 HydrophobicContact CE1-CZ 4.42Å; F351-F386 AromaticContact CG-CE2 3.94Å; F351-F386 HydrophobicContact CG-CE2 3.94Å; F351-F386 AromaticContact CG-CZ 3.56Å; F351-F386 HydrophobicContact CG-CZ 3.56Å; F386-V395 HydrophobicContact CD2-CG1 4.03Å; F386-V395 HydrophobicContact CE1-CG1 4.27Å; F386-V395 HydrophobicContact CE2-CG1 3.39Å; F386-V395 HydrophobicContact CZ-CG1 3.53Å; F386-V395 HydrophobicContact CZ-CG2 4.11Å; F386-F396 CarbonylContact C-O 3.58Å; F386-F396 WeakPolarHBondContact CA-O 3.25Å; F386-L397 HydrophobicContact CD2-CB 4.4Å; F386-L397 HydrophobicContact CD2-CD1 4.1Å; F386-L397 HydrophobicContact CD2-CG 4.42Å
387T97.3Very high95.6Very high24 Ų2438.5 Ų38.515%0.14721%0.208CC..EExtended strand (participates in β ladder)trans-132.7150.6-18059.90000109.6V80 Y81 V395 F396V80-T387 HydrophobicContact CG1-CG2 3.81Å; V80-T387 HydrophobicContact CG2-CG2 4.12Å; Y81-T387 WeakPolarHBondContact O-CB 3.37Å; Y81-T387 WeakPolarHBondContact O-CG2 3.39Å; Y81-T387 PolarHBondContact O-OG1 3.38Å; T387-V395 VanDerWaalsContact O-CA 3.3Å; T387-V395 WeakPolarHBondContact O-CA 3.47Å; T387-F396 PolarHBondContact N-O 3.29Å; T387-F396 PolarHBondContact O-N 2.91Å; T387-F396 WeakPolarHBondContact OG1-CB 3.45Å; T387-F396 PolarHBondContact OG1-O 3.04Å
388G95.6Very high95.9Very high16 Ų1632.1 Ų32.117%0.16517%0.173CC..  trans146.3128-175.800000108.3I345I345-G388 WeakPolarHBondContact CD1-O 3.26Å
389K95Very high96.1Very high31 Ų3131.6 Ų31.614%0.13517%0.17CC..  trans-91.2156.4-178.7-58.6176.9-178.4159.60110.5K83 E84 Y391 E392K83-K389 WeakPolarHBondContact O-CE 3.33Å; K83-K389 PolarHBondContact O-NZ 3.12Å; E84-K389 IonicContact OE2-NZ 3.67Å; E84-K389 PolarHBondContact OE2-NZ 3.04Å; K389-Y391 HydrophobicContact CB-CD1 4.26Å; K389-Y391 HydrophobicContact CB-CD2 4.44Å; K389-Y391 HydrophobicContact CB-CE1 3.95Å; K389-Y391 HydrophobicContact CB-CE2 4.14Å; K389-Y391 HydrophobicContact CD-CE1 4.18Å; K389-Y391 HydrophobicContact CD-CE2 4.03Å; K389-Y391 WeakPolarHBondContact CD-OH 3.47Å; K389-Y391 PolarHBondContact O-N 3.34Å; K389-Y391 VanDerWaalsContact O-N 3.09Å; K389-E392 HydrophobicContact CB-CB 4.35Å; K389-E392 HydrophobicContact CB-CG 3.96Å; K389-E392 PolarHBondContact N-OE2 3.32Å; K389-E392 VanDerWaalsContact N-OE2 3.08Å; K389-E392 PolarHBondContact O-N 3.44Å
390S95.4Very high96.4Very high24 Ų2429.4 Ų29.417%0.16816%0.155CC..THydrogen-bonded Turntrans-58.8-23.4179.959.90000114E244 I344 N346 S347E244-S390 WeakPolarHBondContact OE2-CA 3.41Å; E244-S390 WeakPolarHBondContact OE2-CB 3.44Å; E244-S390 PolarHBondContact OE2-N 3.41Å; E244-S390 PolarHBondContact OE2-OG 3.38Å; I344-S390 VanDerWaalsContact O-CA 3.27Å; I344-S390 WeakPolarHBondContact O-CA 3.02Å; N346-S390 CarbonylContact C-O 3.58Å; N346-S390 WeakPolarHBondContact CA-O 3.48Å; N346-S390 PolarHBondContact N-O 2.99Å; S347-S390 WeakPolarHBondContact CA-O 3.28Å; S347-S390 PolarHBondContact N-O 3Å; S347-S390 PolarHBondContact OG-O 3.08Å
391Y93.1Very high96.5Very high111 Ų11124.7 Ų24.744%0.43513%0.134SC..THydrogen-bonded Turntrans-100.81.9176.954.7-99.4000113.5E244 K389E244-Y391 HydrophobicContact CB-CE1 4.45Å; K389-Y391 HydrophobicContact CB-CD1 4.26Å; K389-Y391 HydrophobicContact CB-CD2 4.44Å; K389-Y391 HydrophobicContact CB-CE1 3.95Å; K389-Y391 HydrophobicContact CB-CE2 4.14Å; K389-Y391 HydrophobicContact CD-CE1 4.18Å; K389-Y391 HydrophobicContact CD-CE2 4.03Å; K389-Y391 WeakPolarHBondContact CD-OH 3.47Å; K389-Y391 PolarHBondContact O-N 3.34Å; K389-Y391 VanDerWaalsContact O-N 3.09Å
392E94.1Very high96.5Very high18 Ų1825.1 Ų25.18%0.08414%0.136CC..  trans-98.8151.7177.1-70.1174.5164.900111.2N346 K389N346-E392 WeakPolarHBondContact CA-O 3.46Å; N346-E392 WeakPolarHBondContact CB-O 3.39Å; N346-E392 PolarHBondContact N-O 3.17Å; K389-E392 HydrophobicContact CB-CB 4.35Å; K389-E392 HydrophobicContact CB-CG 3.96Å; K389-E392 PolarHBondContact N-OE2 3.32Å; K389-E392 VanDerWaalsContact N-OE2 3.08Å; K389-E392 PolarHBondContact O-N 3.44Å
393S93.3Very high96.3Very high41 Ų4125.7 Ų25.729%0.28714%0.139SC..SBendtrans-103.52017867.40000112.6L413S393-L413 WeakPolarHBondContact O-CA 3.23Å; S393-L413 WeakPolarHBondContact O-CB 3.23Å; S393-L413 PolarHBondContact O-N 2.79Å
394E94.5Very high96.1Very high16 Ų1626.7 Ų26.78%0.07514%0.144CC..EExtended strand (participates in β ladder)trans-134.1149.3179.569.8-169.6119.900111K83 Y88 F396 H410 Y411K83-E394 WeakPolarHBondContact CD-OE1 3.45Å; K83-E394 WeakPolarHBondContact CE-OE1 3.47Å; K83-E394 IonicContact NZ-OE1 2.72Å; K83-E394 PolarHBondContact NZ-OE1 2.95Å; Y88-E394 WeakPolarHBondContact CE1-OE2 3.39Å; Y88-E394 PolarHBondContact OH-OE1 3.36Å; Y88-E394 PolarHBondContact OH-OE2 3.12Å; E394-F396 HydrophobicContact CG-CE2 4.39Å; E394-H410 IonicContact OE2-NE2 3.29Å; E394-Y411 WeakPolarHBondContact CA-O 3.3Å
395V96.3Very high96Very high0 Ų023.5 Ų23.50%013%0.126CC..EExtended strand (participates in β ladder)trans-135.6134.8178168.10000108.9I345 F351 F386 T387 H410 Y411 L413I345-V395 HydrophobicContact CB-CG2 4.33Å; I345-V395 HydrophobicContact CD1-CG2 3.81Å; I345-V395 HydrophobicContact CG1-CG2 3.78Å; I345-V395 HydrophobicContact CG2-CG2 3.68Å; F351-V395 HydrophobicContact CE2-CG2 4.23Å; F351-V395 HydrophobicContact CZ-CG2 4.18Å; F386-V395 HydrophobicContact CD2-CG1 4.03Å; F386-V395 HydrophobicContact CE1-CG1 4.27Å; F386-V395 HydrophobicContact CE2-CG1 3.39Å; F386-V395 HydrophobicContact CZ-CG1 3.53Å; F386-V395 HydrophobicContact CZ-CG2 4.11Å; T387-V395 VanDerWaalsContact O-CA 3.3Å; T387-V395 WeakPolarHBondContact O-CA 3.47Å; V395-H410 CarbonylContact O-C 3.58Å; V395-H410 WeakPolarHBondContact O-CA 3.32Å; V395-Y411 HydrophobicContact CG1-CD2 4.41Å; V395-Y411 PolarHBondContact N-O 3.48Å; V395-Y411 PolarHBondContact O-N 2.88Å; V395-L413 HydrophobicContact CB-CD1 4.31Å; V395-L413 HydrophobicContact CG2-CD1 3.88Å
396F98Very high95.9Very high3 Ų323 Ų231%0.01312%0.121CC..EExtended strand (participates in β ladder)trans-108.7132.5163.8-59.9-99.1000110V80 Y81 Y88 W108 F386 T387 E394 I408 L409 H410 V425V80-F396 HydrophobicContact CG2-CB 3.67Å; Y81-F396 HydrophobicContact CD2-CD1 4.44Å; Y81-F396 HydrophobicContact CG-CD1 4.27Å; Y81-F396 HydrophobicContact CG-CE1 4.23Å; Y88-F396 HydrophobicContact CD1-CE2 4.11Å; Y88-F396 HydrophobicContact CD1-CZ 4.17Å; Y88-F396 AromaticContact CE1-CE2 3.92Å; Y88-F396 HydrophobicContact CE1-CE2 3.92Å; Y88-F396 HydrophobicContact CE1-CZ 4.01Å; W108-F396 HydrophobicContact CB-CE1 4.16Å; W108-F396 HydrophobicContact CB-CZ 3.99Å; W108-F396 AromaticContact CD1-CZ 3.59Å; W108-F396 HydrophobicContact CD2-CE1 4.05Å; W108-F396 HydrophobicContact CD2-CZ 4.16Å; W108-F396 HydrophobicContact CE3-CE1 4.47Å; W108-F396 AromaticContact CG-CE1 3.92Å; W108-F396 HydrophobicContact CG-CE1 3.92Å; W108-F396 AromaticContact CG-CZ 3.66Å; W108-F396 HydrophobicContact CG-CZ 3.66Å; W108-F396 AromaticContact NE1-CZ 3.97Å; F386-F396 CarbonylContact C-O 3.58Å; F386-F396 WeakPolarHBondContact CA-O 3.25Å; T387-F396 PolarHBondContact N-O 3.29Å; T387-F396 PolarHBondContact O-N 2.91Å; T387-F396 WeakPolarHBondContact OG1-CB 3.45Å; T387-F396 PolarHBondContact OG1-O 3.04Å; E394-F396 HydrophobicContact CG-CE2 4.39Å; F396-I408 HydrophobicContact CD1-CG2 4.39Å; F396-L409 CarbonylContact C-O 3.52Å; F396-L409 WeakPolarHBondContact CA-O 3.27Å; F396-H410 HydrophobicContact CD1-CB 3.96Å; F396-H410 HydrophobicContact CE1-CB 3.83Å; F396-H410 AromaticContact CE1-CD2 3.61Å; F396-H410 AromaticContact CE2-CD2 3.88Å; F396-H410 AromaticContact CZ-CD2 3.45Å; F396-H410 VanDerWaalsContact CZ-CD2 3.45Å; F396-H410 WeakPolarHBondContact CZ-CD2 3.49Å; F396-V425 HydrophobicContact CD1-CG2 4.22Å; F396-V425 HydrophobicContact CE1-CG2 4.17Å
397L97.9Very high95.9Very high0 Ų021.3 Ų21.30%011%0.114CC..EExtended strand (participates in β ladder)trans-125.2126.4178.4-178.2154.9000108.6V362 L376 L378 V383 G385 F386 Y399 I408 L409 Y411V362-L397 HydrophobicContact CG2-CD1 4.23Å; L376-L397 HydrophobicContact CD1-CD1 3.81Å; L378-L397 HydrophobicContact CD1-CD1 4.25Å; L378-L397 HydrophobicContact CD1-CD2 4.32Å; L378-L397 HydrophobicContact CD2-CD2 4.16Å; V383-L397 HydrophobicContact CG1-CD1 4.19Å; V383-L397 HydrophobicContact CG1-CD2 4.33Å; V383-L397 HydrophobicContact CG1-CG 3.94Å; V383-L397 HydrophobicContact CG2-CD1 4.31Å; V383-L397 HydrophobicContact CG2-CD2 4.35Å; G385-L397 CarbonylContact O-C 3.32Å; G385-L397 WeakPolarHBondContact O-CA 3.5Å; F386-L397 HydrophobicContact CD2-CB 4.4Å; F386-L397 HydrophobicContact CD2-CD1 4.1Å; F386-L397 HydrophobicContact CD2-CG 4.42Å; L397-Y399 HydrophobicContact CD2-CD1 3.92Å; L397-I408 CarbonylContact O-C 3.54Å; L397-I408 WeakPolarHBondContact O-CA 3.17Å; L397-L409 PolarHBondContact N-O 3.34Å; L397-L409 PolarHBondContact O-N 3.22Å; L397-Y411 HydrophobicContact CB-CE2 4.26Å
398K98Very high95.9Very high36 Ų3620.2 Ų20.216%0.15711%0.107CC..EExtended strand (participates in β ladder)trans-107.8128.7169.4-174.4177.9175.6179.10110.1V78 V80 V384 G385 V407 I408V78-K398 WeakPolarHBondContact O-CE 3.38Å; V78-K398 PolarHBondContact O-NZ 3.3Å; V80-K398 HydrophobicContact CB-CB 3.93Å; V80-K398 HydrophobicContact CG2-CB 4.32Å; V384-K398 HydrophobicContact CG2-CB 4.3Å; V384-K398 HydrophobicContact CG2-CD 4.16Å; V384-K398 HydrophobicContact CG2-CG 3.88Å; V384-K398 PolarHBondContact N-O 2.05Å; G385-K398 PolarHBondContact N-O 3.46Å; G385-K398 VanDerWaalsContact N-O 3.09Å; G385-K398 PolarHBondContact O-N 3.1Å; K398-V407 VanDerWaalsContact CA-O 3.31Å; K398-V407 WeakPolarHBondContact CA-O 3.32Å; K398-I408 HydrophobicContact CB-CG1 4.19Å; K398-I408 HydrophobicContact CD-CG1 4.23Å; K398-I408 HydrophobicContact CG-CG1 4.01Å
399Y97.9Very high96Very high19 Ų1920.2 Ų20.28%0.07510%0.103CC..EExtended strand (participates in β ladder)trans-122.5157.7169.872-97.6000112.1L378 P379 C381 T382 L397 G406 V407 L409L378-Y399 HydrophobicContact CD2-CD1 3.86Å; L378-Y399 HydrophobicContact CD2-CE1 4.02Å; P379-Y399 HydrophobicContact CG-CD2 4.13Å; P379-Y399 HydrophobicContact CG-CE2 3.47Å; P379-Y399 VanDerWaalsContact CG-CE2 3.47Å; C381-Y399 HydrophobicContact CB-CD2 3.65Å; C381-Y399 HydrophobicContact CB-CE2 4.49Å; C381-Y399 HydrophobicContact CB-CG 4.12Å; T382-Y399 CarbonylContact O-C 3.52Å; T382-Y399 WeakPolarHBondContact O-CA 3.37Å; T382-Y399 WeakPolarHBondContact O-CB 3.46Å; L397-Y399 HydrophobicContact CD2-CD1 3.92Å; Y399-G406 CarbonylContact O-C 3.55Å; Y399-G406 VanDerWaalsContact O-CA 3.27Å; Y399-G406 WeakPolarHBondContact O-CA 3.49Å; Y399-V407 HydrophobicContact CD1-CB 4.2Å; Y399-V407 HydrophobicContact CD2-CB 4.45Å; Y399-V407 HydrophobicContact CE1-CB 3.61Å; Y399-V407 HydrophobicContact CE1-CG1 3.82Å; Y399-V407 HydrophobicContact CE1-CG2 4.4Å; Y399-V407 HydrophobicContact CE2-CB 3.88Å; Y399-V407 HydrophobicContact CE2-CG2 3.89Å; Y399-V407 VanDerWaalsContact CZ-CB 3.44Å; Y399-V407 PolarHBondContact N-O 3.12Å; Y399-V407 PolarHBondContact O-N 3.37Å; Y399-L409 HydrophobicContact CD1-CD1 4.35Å; Y399-L409 HydrophobicContact CE1-CD1 3.94Å; Y399-L409 HydrophobicContact CE1-CG 4.13Å
400T97.8Very high96.1Very high10 Ų1019.4 Ų19.46%0.06110%0.099CC..EExtended strand (participates in β ladder)trans-134.7161.1172.3179.90000109.6C381 T382 V384 N404 A405 F490C381-T400 CarbonylContact C-O 3.55Å; C381-T400 VanDerWaalsContact CA-O 3.3Å; C381-T400 WeakPolarHBondContact CA-O 3.36Å; C381-T400 WeakPolarHBondContact CB-O 3.31Å; T382-T400 PolarHBondContact N-O 3.04Å; T382-T400 PolarHBondContact O-N 2.8Å; V384-T400 HydrophobicContact CG1-CG2 3.58Å; V384-T400 HydrophobicContact CG2-CG2 4.16Å; T400-N404 PolarHBondContact OG1-O 2.96Å; T400-A405 PolarHBondContact OG1-O 2.84Å; T400-F490 PolarHBondContact OG1-N 3.25Å
401S96.6Very high96Very high13 Ų1318.7 Ų18.79%0.0919%0.093CC..  trans-140.6-178.4169.278.30000110.1L403 N404 N489 F490S401-L403 PolarHBondContact O-N 3.16Å; S401-L403 VanDerWaalsContact O-N 3.11Å; S401-L403 PolarHBondContact OG-N 2.8Å; S401-N404 PolarHBondContact N-O 2.84Å; S401-N404 PolarHBondContact O-N 3.1Å; S401-N404 PolarHBondContact OG-N 2.78Å; S401-N404 PolarHBondContact OG-ND2 3.26Å; S401-N489 CarbonylContact O-C 3.58Å; S401-F490 WeakPolarHBondContact O-CA 3.36Å; S401-F490 PolarHBondContact O-N 2.96Å
402F96.4Very high96Very high10 Ų1015.4 Ų15.44%0.0448%0.083CC..SBendtrans-53.1-31.7175.8-68.4-62.5000114.1V440 T456 I458 P488 N489 R494 V507F402-V440 HydrophobicContact CB-CG2 4.2Å; F402-V440 HydrophobicContact CD2-CG1 3.87Å; F402-V440 HydrophobicContact CE2-CG1 4.4Å; F402-T456 HydrophobicContact CD2-CG2 4.18Å; F402-T456 HydrophobicContact CE2-CG2 3.56Å; F402-T456 HydrophobicContact CZ-CG2 3.95Å; F402-I458 HydrophobicContact CB-CD1 3.91Å; F402-I458 HydrophobicContact CD1-CD1 3.37Å; F402-I458 HydrophobicContact CD2-CD1 4.24Å; F402-I458 HydrophobicContact CE1-CD1 3.85Å; F402-I458 HydrophobicContact CG-CD1 3.58Å; F402-I458 HydrophobicContact CG-CG1 4.5Å; F402-I458 HydrophobicContact CZ-CD1 4.46Å; F402-P488 HydrophobicContact CD2-CB 3.7Å; F402-P488 HydrophobicContact CD2-CG 4.05Å; F402-P488 HydrophobicContact CE1-CB 4.5Å; F402-P488 HydrophobicContact CE2-CB 3.63Å; F402-P488 HydrophobicContact CE2-CG 3.57Å; F402-P488 HydrophobicContact CG-CB 4.18Å; F402-P488 HydrophobicContact CZ-CB 4.07Å; F402-P488 HydrophobicContact CZ-CG 4.11Å; F402-N489 WeakPolarHBondContact CA-O 3.04Å; F402-R494 VanDerWaalsContact CD1-NH1 3.34Å; F402-V507 HydrophobicContact CE1-CG2 4.17Å
403L95Very high95.9Very high28 Ų2814.7 Ų14.715%0.1478%0.08CC..SBendtrans-115.1-7.1-174.7-52.4-177.4000113.7S401 P435 F438 V440 L495S401-L403 PolarHBondContact O-N 3.16Å; S401-L403 VanDerWaalsContact O-N 3.11Å; S401-L403 PolarHBondContact OG-N 2.8Å; L403-P435 HydrophobicContact CB-CB 3.99Å; L403-P435 HydrophobicContact CB-CG 4.46Å; L403-P435 HydrophobicContact CD1-CB 4.34Å; L403-F438 HydrophobicContact CD1-CB 3.97Å; L403-F438 HydrophobicContact CD2-CB 3.52Å; L403-F438 HydrophobicContact CD2-CD2 4.29Å; L403-F438 HydrophobicContact CD2-CG 3.92Å; L403-F438 HydrophobicContact CG-CB 4.41Å; L403-V440 HydrophobicContact CD1-CG2 3.93Å; L403-V440 HydrophobicContact CD2-CG2 4.26Å; L403-V440 HydrophobicContact CG-CG2 3.96Å; L403-L495 HydrophobicContact CD2-CD2 3.8Å
404N93.1Very high95.7Very high32 Ų3216.2 Ų16.217%0.1719%0.091CC..  trans-118.7118.8179.8-64.8-74.4000110.7T400 S401 G406T400-N404 PolarHBondContact OG1-O 2.96Å; S401-N404 PolarHBondContact N-O 2.84Å; S401-N404 PolarHBondContact O-N 3.1Å; S401-N404 PolarHBondContact OG-N 2.78Å; S401-N404 PolarHBondContact OG-ND2 3.26Å; N404-G406 PolarHBondContact O-N 2.92Å
405A95Very high95.1Very high15 Ų1521 Ų2112%0.12411%0.111CC..SBendtrans-66.9-36-175.700000113.4Y75 T400 S428 F490Y75-A405 HydrophobicContact CD2-CB 4.33Å; Y75-A405 HydrophobicContact CE2-CB 3.42Å; Y75-A405 VanDerWaalsContact CE2-CB 3.42Å; T400-A405 PolarHBondContact OG1-O 2.84Å; A405-S428 WeakPolarHBondContact CB-O 3.42Å; A405-F490 VanDerWaalsContact CA-CB 3.47Å; A405-F490 VanDerWaalsContact CA-CG 3.44Å; A405-F490 HydrophobicContact CB-CB 4.16Å; A405-F490 HydrophobicContact CB-CD1 3.56Å; A405-F490 HydrophobicContact CB-CD2 4.01Å; A405-F490 HydrophobicContact CB-CE1 3.83Å; A405-F490 HydrophobicContact CB-CE2 4.24Å; A405-F490 HydrophobicContact CB-CG 3.65Å; A405-F490 HydrophobicContact CB-CZ 4.16Å
406G96.3Very high94.1Very high0 Ų025.3 Ų25.30%014%0.139CC..EExtended strand (participates in β ladder)trans175.5140.2168.100000112.5Y399 N404 R427 S428Y399-G406 CarbonylContact O-C 3.55Å; Y399-G406 VanDerWaalsContact O-CA 3.27Å; Y399-G406 WeakPolarHBondContact O-CA 3.49Å; N404-G406 PolarHBondContact O-N 2.92Å; G406-R427 CarbonylContact O-C 3.54Å; G406-R427 WeakPolarHBondContact O-CA 3.12Å; G406-S428 PolarHBondContact N-O 2.89Å; G406-S428 PolarHBondContact O-N 3.08Å
407V97.2Very high92.6Very high1 Ų127.8 Ų27.81%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-125.7131.7172-177.80000108.2K398 Y399 L409 E424 R427K398-V407 VanDerWaalsContact CA-O 3.31Å; K398-V407 WeakPolarHBondContact CA-O 3.32Å; Y399-V407 HydrophobicContact CD1-CB 4.2Å; Y399-V407 HydrophobicContact CD2-CB 4.45Å; Y399-V407 HydrophobicContact CE1-CB 3.61Å; Y399-V407 HydrophobicContact CE1-CG1 3.82Å; Y399-V407 HydrophobicContact CE1-CG2 4.4Å; Y399-V407 HydrophobicContact CE2-CB 3.88Å; Y399-V407 HydrophobicContact CE2-CG2 3.89Å; Y399-V407 VanDerWaalsContact CZ-CB 3.44Å; Y399-V407 PolarHBondContact N-O 3.12Å; Y399-V407 PolarHBondContact O-N 3.37Å; V407-L409 HydrophobicContact CG1-CD2 4.01Å; V407-E424 HydrophobicContact CG1-CG 3.82Å; V407-R427 HydrophobicContact CG2-CB 4.49Å; V407-R427 HydrophobicContact CG2-CG 4.32Å
408I97.9Very high91.2Very high1 Ų136.4 Ų36.41%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-105.9124.3177-56.3175000108.1V78 G79 Y81 F396 L397 K398 V425 H426V78-I408 HydrophobicContact CB-CD1 4Å; V78-I408 HydrophobicContact CG1-CD1 3.66Å; G79-I408 WeakPolarHBondContact O-CD1 3.48Å; Y81-I408 HydrophobicContact CD2-CD1 4.28Å; Y81-I408 HydrophobicContact CD2-CG2 4.35Å; Y81-I408 HydrophobicContact CE2-CD1 4.21Å; F396-I408 HydrophobicContact CD1-CG2 4.39Å; L397-I408 CarbonylContact O-C 3.54Å; L397-I408 WeakPolarHBondContact O-CA 3.17Å; K398-I408 HydrophobicContact CB-CG1 4.19Å; K398-I408 HydrophobicContact CD-CG1 4.23Å; K398-I408 HydrophobicContact CG-CG1 4.01Å; I408-V425 HydrophobicContact CB-CB 4.18Å; I408-V425 HydrophobicContact CG2-CB 3.93Å; I408-V425 HydrophobicContact CG2-CG1 4.46Å; I408-V425 HydrophobicContact CG2-CG2 4.19Å; I408-V425 PolarHBondContact O-N 2.75Å; I408-H426 HydrophobicContact CD1-CB 4.29Å; I408-H426 PolarHBondContact N-O 3.17Å
409L97.2Very high89.9Confident16 Ų1641.4 Ų41.48%0.08421%0.21CC..EExtended strand (participates in β ladder)trans-110.2138.3174.4-57.2-178.7000109.2L378 F396 L397 Y399 V407 Y411 T422 T423 E424L378-L409 HydrophobicContact CD2-CD1 3.67Å; F396-L409 CarbonylContact C-O 3.52Å; F396-L409 WeakPolarHBondContact CA-O 3.27Å; L397-L409 PolarHBondContact N-O 3.34Å; L397-L409 PolarHBondContact O-N 3.22Å; Y399-L409 HydrophobicContact CD1-CD1 4.35Å; Y399-L409 HydrophobicContact CE1-CD1 3.94Å; Y399-L409 HydrophobicContact CE1-CG 4.13Å; V407-L409 HydrophobicContact CG1-CD2 4.01Å; L409-Y411 HydrophobicContact CB-CD2 4.44Å; L409-Y411 HydrophobicContact CB-CE2 3.76Å; L409-Y411 HydrophobicContact CD1-CE2 4.24Å; L409-Y411 WeakPolarHBondContact CD1-OH 3.39Å; L409-T422 HydrophobicContact CB-CG2 4.27Å; L409-T422 HydrophobicContact CD1-CG2 4.41Å; L409-T422 HydrophobicContact CD2-CG2 4.41Å; L409-T423 WeakPolarHBondContact CA-O 3.36Å; L409-E424 HydrophobicContact CD2-CB 4.24Å; L409-E424 HydrophobicContact CD2-CG 4.45Å
410H96.7Very high89Confident13 Ų1342.6 Ų42.66%0.0621%0.214CC..EExtended strand (participates in β ladder)trans-108131.1168.4167.5-101.5000109W108 E394 V395 F396 T422 T423 V425W108-H410 HydrophobicContact CH2-CB 4.35Å; W108-H410 AromaticContact CH2-ND1 3.94Å; W108-H410 HydrophobicContact CZ2-CB 4.35Å; W108-H410 AromaticContact CZ2-CE1 3.64Å; W108-H410 AromaticContact CZ2-CG 3.75Å; W108-H410 AromaticContact CZ2-ND1 3.38Å; W108-H410 WeakPolarHBondContact CZ2-ND1 3.49Å; W108-H410 AromaticContact NE1-NE2 3.81Å; E394-H410 IonicContact OE2-NE2 3.29Å; V395-H410 CarbonylContact O-C 3.58Å; V395-H410 WeakPolarHBondContact O-CA 3.32Å; F396-H410 HydrophobicContact CD1-CB 3.96Å; F396-H410 HydrophobicContact CE1-CB 3.83Å; F396-H410 AromaticContact CE1-CD2 3.61Å; F396-H410 AromaticContact CE2-CD2 3.88Å; F396-H410 AromaticContact CZ-CD2 3.45Å; F396-H410 VanDerWaalsContact CZ-CD2 3.45Å; F396-H410 WeakPolarHBondContact CZ-CD2 3.49Å; H410-T422 WeakPolarHBondContact O-CA 3.22Å; H410-T423 PolarHBondContact N-O 3.46Å; H410-T423 PolarHBondContact O-N 3.21Å; H410-V425 HydrophobicContact CB-CG2 3.4Å
411Y94.3Very high88.3Confident10 Ų1044.5 Ų44.54%0.03923%0.228CC..EExtended strand (participates in β ladder)trans-113.5124.4173.4-64.8-95.5000109L376 E394 V395 L397 L409 T422L376-Y411 HydrophobicContact CD1-CE1 4.39Å; L376-Y411 HydrophobicContact CD1-CE2 4.08Å; L376-Y411 HydrophobicContact CD2-CD1 4.42Å; L376-Y411 HydrophobicContact CD2-CE1 3.72Å; E394-Y411 WeakPolarHBondContact CA-O 3.3Å; V395-Y411 HydrophobicContact CG1-CD2 4.41Å; V395-Y411 PolarHBondContact N-O 3.48Å; V395-Y411 PolarHBondContact O-N 2.88Å; L397-Y411 HydrophobicContact CB-CE2 4.26Å; L409-Y411 HydrophobicContact CB-CD2 4.44Å; L409-Y411 HydrophobicContact CB-CE2 3.76Å; L409-Y411 HydrophobicContact CD1-CE2 4.24Å; L409-Y411 WeakPolarHBondContact CD1-OH 3.39Å; Y411-T422 HydrophobicContact CD1-CG2 4.17Å; Y411-T422 WeakPolarHBondContact CD1-OG1 3.23Å; Y411-T422 HydrophobicContact CE1-CG2 3.7Å; Y411-T422 WeakPolarHBondContact CE1-OG1 3.14Å; Y411-T422 HydrophobicContact CE2-CG2 4.35Å
412D93.6Very high88Confident41 Ų4147.5 Ų47.522%0.21925%0.245CC..EExtended strand (participates in β ladder)trans-98.3113.5172.3-176-7.5000109.6S414 S421D412-S414 VanDerWaalsContact CG-OG 3.29Å; D412-S414 WeakPolarHBondContact OD1-CB 3.31Å; D412-S414 PolarHBondContact OD1-N 2.74Å; D412-S414 PolarHBondContact OD1-OG 3.2Å; D412-S414 PolarHBondContact OD2-OG 2.72Å; D412-S421 PolarHBondContact N-O 3.32Å; D412-S421 VanDerWaalsContact N-O 3.12Å
413L91.7Very high87.8Confident4 Ų449.9 Ų49.92%0.02126%0.261CS..  trans-100.37.6178.8-58.493.8000112.7I345 Y349 F351 S393 V395 K415 W420I345-L413 HydrophobicContact CG2-CD1 4.1Å; I345-L413 HydrophobicContact CG2-CD2 4.06Å; Y349-L413 HydrophobicContact CD2-CD2 3.78Å; Y349-L413 HydrophobicContact CE2-CD2 4.4Å; Y349-L413 HydrophobicContact CG-CD2 4.39Å; F351-L413 HydrophobicContact CE2-CD2 3.8Å; F351-L413 HydrophobicContact CZ-CD2 3.92Å; S393-L413 WeakPolarHBondContact O-CA 3.23Å; S393-L413 WeakPolarHBondContact O-CB 3.23Å; S393-L413 PolarHBondContact O-N 2.79Å; V395-L413 HydrophobicContact CB-CD1 4.31Å; V395-L413 HydrophobicContact CG2-CD1 3.88Å; L413-K415 PolarHBondContact O-N 3.12Å; L413-W420 HydrophobicContact CD2-CD2 4.5Å; L413-W420 HydrophobicContact CD2-CH2 3.85Å; L413-W420 HydrophobicContact CD2-CZ2 3.68Å; L413-W420 HydrophobicContact CD2-CZ3 4.32Å; L413-W420 HydrophobicContact CG-CD2 4.35Å; L413-W420 HydrophobicContact CG-CZ2 4.26Å
414S87.6Confident87.8Confident73 Ų7353 Ų5351%0.5128%0.275SS..SBendtrans-66.6-23.4178.567.40000113D412D412-S414 VanDerWaalsContact CG-OG 3.29Å; D412-S414 WeakPolarHBondContact OD1-CB 3.31Å; D412-S414 PolarHBondContact OD1-N 2.74Å; D412-S414 PolarHBondContact OD1-OG 3.2Å; D412-S414 PolarHBondContact OD2-OG 2.72Å
415K82.7Confident87.9Confident117 Ų11753 Ų5351%0.50928%0.276SS..SBendtrans-95.5155.2176.1-63.5-173.1-178.2176.20111.1L413 K417 F419 W420L413-K415 PolarHBondContact O-N 3.12Å; K415-K417 PolarHBondContact O-N 3.48Å; K415-F419 HydrophobicContact CB-CB 3.96Å; K415-F419 HydrophobicContact CD-CB 4.21Å; K415-W420 PolarHBondContact O-NE1 2.79Å; K415-W420 VanDerWaalsContact O-NE1 3.08Å
416P74.4Confident87.9Confident90 Ų9054.1 Ų54.158%0.58428%0.279SS*.  trans-54141.5171.3-23.632.9000111.2F418 F419P416-F418 VanDerWaalsContact C-N 3.26Å; P416-F418 PolarHBondContact O-N 3.42Å; P416-F419 HydrophobicContact CB-CD2 4.35Å; P416-F419 WeakPolarHBondContact O-CA 3.43Å; P416-F419 WeakPolarHBondContact O-CB 3.41Å; P416-F419 PolarHBondContact O-N 3.45Å
417K68.4Low87.8Confident55 Ų5558.1 Ų58.124%0.23929%0.294CS..G310 helixtrans-34.9-45.1-172.1-175.6-139.8-176.7162.10117M373 K415 F419 W420M373-K417 VanDerWaalsContact CA-NZ 3.26Å; M373-K417 HydrophobicContact CB-CD 4.45Å; M373-K417 HydrophobicContact CE-CB 4.02Å; M373-K417 HydrophobicContact CE-CD 3.47Å; M373-K417 VanDerWaalsContact CE-CD 3.47Å; M373-K417 HydrophobicContact CE-CG 3.83Å; M373-K417 WeakPolarHBondContact O-CE 3.46Å; M373-K417 PolarHBondContact O-NZ 3.37Å; M373-K417 HydrophobicContact SD-CD 3.88Å; M373-K417 PolarHBondContact SD-NZ 3.19Å; K415-K417 PolarHBondContact O-N 3.48Å; K417-F419 PolarHBondContact O-N 3.18Å; K417-W420 HydrophobicContact CB-CZ2 4.26Å; K417-W420 HydrophobicContact CG-CD2 4.49Å; K417-W420 HydrophobicContact CG-CH2 4.35Å; K417-W420 HydrophobicContact CG-CZ2 4.23Å; K417-W420 PolarHBondContact O-N 3.09Å
418F67.8Low87.7Confident181 Ų18158.2 Ų58.279%0.79430%0.295SS*.G310 helixtrans-65.2-8-179.3-67.3-76.4000114.1P416P416-F418 VanDerWaalsContact C-N 3.26Å; P416-F418 PolarHBondContact O-N 3.42Å
419F69.7Low87.3Confident141 Ų14162.6 Ų62.662%0.61832%0.315SS*.G310 helixtrans-124.914.2-177.3-55-74.7000112.9K415 P416 K417 S421K415-F419 HydrophobicContact CB-CB 3.96Å; K415-F419 HydrophobicContact CD-CB 4.21Å; P416-F419 HydrophobicContact CB-CD2 4.35Å; P416-F419 WeakPolarHBondContact O-CA 3.43Å; P416-F419 WeakPolarHBondContact O-CB 3.41Å; P416-F419 PolarHBondContact O-N 3.45Å; K417-F419 PolarHBondContact O-N 3.18Å; F419-S421 PolarHBondContact O-N 3.12Å
420W80.6Confident86.9Confident43 Ų4362.1 Ų62.116%0.16331%0.313CS..  trans-58.5128.8169.5-68.5-8.6000109.3Y349 V364 L413 K415 K417Y349-W420 AromaticContact CD1-CH2 3.97Å; Y349-W420 HydrophobicContact CD1-CH2 3.97Å; Y349-W420 HydrophobicContact CD1-CZ2 4.07Å; Y349-W420 HydrophobicContact CD2-CH2 4.27Å; Y349-W420 AromaticContact CD2-CZ2 3.86Å; Y349-W420 HydrophobicContact CD2-CZ2 3.86Å; Y349-W420 HydrophobicContact CE1-CH2 4.05Å; Y349-W420 AromaticContact CE1-CZ2 3.78Å; Y349-W420 HydrophobicContact CE1-CZ2 3.78Å; Y349-W420 HydrophobicContact CE2-CH2 4.37Å; Y349-W420 AromaticContact CE2-CZ2 3.59Å; Y349-W420 HydrophobicContact CE2-CZ2 3.59Å; Y349-W420 HydrophobicContact CG-CH2 4.1Å; Y349-W420 HydrophobicContact CG-CZ2 4.13Å; Y349-W420 AromaticContact CZ-CZ2 3.57Å; V364-W420 HydrophobicContact CB-CZ3 4.48Å; V364-W420 HydrophobicContact CG1-CH2 3.84Å; V364-W420 HydrophobicContact CG1-CZ3 4.01Å; L413-W420 HydrophobicContact CD2-CD2 4.5Å; L413-W420 HydrophobicContact CD2-CH2 3.85Å; L413-W420 HydrophobicContact CD2-CZ2 3.68Å; L413-W420 HydrophobicContact CD2-CZ3 4.32Å; L413-W420 HydrophobicContact CG-CD2 4.35Å; L413-W420 HydrophobicContact CG-CZ2 4.26Å; K415-W420 PolarHBondContact O-NE1 2.79Å; K415-W420 VanDerWaalsContact O-NE1 3.08Å; K417-W420 HydrophobicContact CB-CZ2 4.26Å; K417-W420 HydrophobicContact CG-CD2 4.49Å; K417-W420 HydrophobicContact CG-CH2 4.35Å; K417-W420 HydrophobicContact CG-CZ2 4.23Å; K417-W420 PolarHBondContact O-N 3.09Å
421S82.6Confident86.4Confident51 Ų5168.9 Ų68.936%0.35735%0.348SS..EExtended strand (participates in β ladder)trans-97.8134.6172.754.40000109.8D412 F419D412-S421 PolarHBondContact N-O 3.32Å; D412-S421 VanDerWaalsContact N-O 3.12Å; F419-S421 PolarHBondContact O-N 3.12Å
422T89.6Confident86.3Confident75 Ų7571.2 Ų71.246%0.4636%0.359SS..EExtended strand (participates in β ladder)trans-105.3131.3166.1-54.80000108.6L409 H410 Y411L409-T422 HydrophobicContact CB-CG2 4.27Å; L409-T422 HydrophobicContact CD1-CG2 4.41Å; L409-T422 HydrophobicContact CD2-CG2 4.41Å; H410-T422 WeakPolarHBondContact O-CA 3.22Å; Y411-T422 HydrophobicContact CD1-CG2 4.17Å; Y411-T422 WeakPolarHBondContact CD1-OG1 3.23Å; Y411-T422 HydrophobicContact CE1-CG2 3.7Å; Y411-T422 WeakPolarHBondContact CE1-OG1 3.14Å; Y411-T422 HydrophobicContact CE2-CG2 4.35Å
423T93.1Very high86.1Confident60 Ų6069.5 Ų69.537%0.36835%0.35SS..EExtended strand (participates in β ladder)trans-123.4130.7175.1-53.80000109W108 L409 H410 V425W108-T423 HydrophobicContact CH2-CG2 4.24Å; L409-T423 WeakPolarHBondContact CA-O 3.36Å; H410-T423 PolarHBondContact N-O 3.46Å; H410-T423 PolarHBondContact O-N 3.21Å; T423-V425 PolarHBondContact O-N 3.5Å
424E95.2Very high86.2Confident93 Ų9371.2 Ų71.244%0.43536%0.362SS..EExtended strand (participates in β ladder)trans-72.4111.2165.1-173.9173.7119.800107.8V407 L409 R427V407-E424 HydrophobicContact CG1-CG 3.82Å; L409-E424 HydrophobicContact CD2-CB 4.24Å; L409-E424 HydrophobicContact CD2-CG 4.45Å; E424-R427 VanDerWaalsContact OE1-CB 3.27Å; E424-R427 WeakPolarHBondContact OE1-CB 3.44Å; E424-R427 WeakPolarHBondContact OE1-CD 3.46Å; E424-R427 IonicContact OE1-CZ 3.71Å; E424-R427 IonicContact OE1-NE 2.66Å; E424-R427 PolarHBondContact OE1-NE 3.19Å; E424-R427 IonicContact OE1-NH2 3.73Å; E424-R427 IonicContact OE2-CZ 3.73Å; E424-R427 IonicContact OE2-NE 2.73Å; E424-R427 PolarHBondContact OE2-NE 3.5Å; E424-R427 IonicContact OE2-NH2 2.77Å; E424-R427 PolarHBondContact OE2-NH2 3.19Å
425V94.6Very high86.4Confident33 Ų3370.1 Ų70.120%0.235%0.352CS..EExtended strand (participates in β ladder)trans-78.7-45.7-177179.30000110.2Y81 W108 F396 I408 H410 T423Y81-V425 HydrophobicContact CD2-CG1 4.34Å; Y81-V425 HydrophobicContact CE2-CG1 3.84Å; W108-V425 HydrophobicContact CE3-CG1 3.88Å; W108-V425 HydrophobicContact CE3-CG2 4.06Å; W108-V425 HydrophobicContact CH2-CG2 4.45Å; W108-V425 HydrophobicContact CZ3-CB 4.4Å; W108-V425 HydrophobicContact CZ3-CG1 4.13Å; W108-V425 HydrophobicContact CZ3-CG2 3.81Å; F396-V425 HydrophobicContact CD1-CG2 4.22Å; F396-V425 HydrophobicContact CE1-CG2 4.17Å; I408-V425 HydrophobicContact CB-CB 4.18Å; I408-V425 HydrophobicContact CG2-CB 3.93Å; I408-V425 HydrophobicContact CG2-CG1 4.46Å; I408-V425 HydrophobicContact CG2-CG2 4.19Å; I408-V425 PolarHBondContact O-N 2.75Å; H410-V425 HydrophobicContact CB-CG2 3.4Å; T423-V425 PolarHBondContact O-N 3.5Å
426H95Very high87Confident39 Ų3969.3 Ų69.318%0.18136%0.362CS..EExtended strand (participates in β ladder)trans-158.9150.3-177.5-179.286.2000110.3E76 V78 I408 S428E76-H426 IonicContact OE1-CE1 3.13Å; E76-H426 PolarHBondContact OE1-CE1 3.06Å; E76-H426 IonicContact OE1-ND1 3.57Å; E76-H426 IonicContact OE1-NE2 2.79Å; V78-H426 VanDerWaalsContact CG2-CD2 3.48Å; V78-H426 WeakPolarHBondContact CG2-CD2 3.33Å; V78-H426 VanDerWaalsContact CG2-NE2 3.33Å; V78-H426 WeakPolarHBondContact CG2-NE2 3.48Å; I408-H426 HydrophobicContact CD1-CB 4.29Å; I408-H426 PolarHBondContact N-O 3.17Å; H426-S428 PolarHBondContact CD2-OG 3.24Å; H426-S428 PolarHBondContact NE2-OG 3.41Å; H426-S428 VanDerWaalsContact NE2-OG 3.14Å
427R95Very high87.9Confident83 Ų8368.8 Ų68.831%0.31335%0.351SS..EExtended strand (participates in β ladder)trans-135.7113.1177.4165-176.1-72.8-77.6-5.1108.8G406 V407 E424 E429G406-R427 CarbonylContact O-C 3.54Å; G406-R427 WeakPolarHBondContact O-CA 3.12Å; V407-R427 HydrophobicContact CG2-CB 4.49Å; V407-R427 HydrophobicContact CG2-CG 4.32Å; E424-R427 VanDerWaalsContact OE1-CB 3.27Å; E424-R427 WeakPolarHBondContact OE1-CB 3.44Å; E424-R427 WeakPolarHBondContact OE1-CD 3.46Å; E424-R427 IonicContact OE1-CZ 3.71Å; E424-R427 IonicContact OE1-NE 2.66Å; E424-R427 PolarHBondContact OE1-NE 3.19Å; E424-R427 IonicContact OE1-NH2 3.73Å; E424-R427 IonicContact OE2-CZ 3.73Å; E424-R427 IonicContact OE2-NE 2.73Å; E424-R427 PolarHBondContact OE2-NE 3.5Å; E424-R427 IonicContact OE2-NH2 2.77Å; E424-R427 PolarHBondContact OE2-NH2 3.19Å; R427-E429 VanDerWaalsContact CD-CD 3.43Å; R427-E429 WeakPolarHBondContact CD-OE1 3.4Å; R427-E429 HydrophobicContact CG-CG 3.47Å; R427-E429 VanDerWaalsContact CG-CG 3.47Å; R427-E429 WeakPolarHBondContact CG-OE1 3.3Å; R427-E429 IonicContact CZ-OE1 3.38Å; R427-E429 IonicContact NE-OE1 3.7Å; R427-E429 IonicContact NH1-OE1 2.81Å; R427-E429 PolarHBondContact NH1-OE1 3.05Å
428S94.3Very high89.3Confident4 Ų466.6 Ų66.63%0.02834%0.342CS..EExtended strand (participates in β ladder)trans-84.7118.5175-56.20000108.6E76 V78 A405 G406 H426E76-S428 WeakPolarHBondContact O-CB 3.42Å; E76-S428 PolarHBondContact O-OG 2.88Å; E76-S428 VanDerWaalsContact O-OG 3.05Å; V78-S428 PolarHBondContact N-OG 3.38Å; A405-S428 WeakPolarHBondContact CB-O 3.42Å; G406-S428 PolarHBondContact N-O 2.89Å; G406-S428 PolarHBondContact O-N 3.08Å; H426-S428 PolarHBondContact CD2-OG 3.24Å; H426-S428 PolarHBondContact NE2-OG 3.41Å; H426-S428 VanDerWaalsContact NE2-OG 3.14Å
429E90.2Very high90.6Very high92 Ų9262 Ų6243%0.4332%0.323SS..  trans-137.9141.6177.9-47-167.9135.900111.1Y75 R427Y75-E429 VanDerWaalsContact CB-O 3.24Å; Y75-E429 WeakPolarHBondContact CB-O 3.46Å; R427-E429 VanDerWaalsContact CD-CD 3.43Å; R427-E429 WeakPolarHBondContact CD-OE1 3.4Å; R427-E429 HydrophobicContact CG-CG 3.47Å; R427-E429 VanDerWaalsContact CG-CG 3.47Å; R427-E429 WeakPolarHBondContact CG-OE1 3.3Å; R427-E429 IonicContact CZ-OE1 3.38Å; R427-E429 IonicContact NE-OE1 3.7Å; R427-E429 IonicContact NH1-OE1 2.81Å; R427-E429 PolarHBondContact NH1-OE1 3.05Å
430S87.9Confident91.9Very high7 Ų757.5 Ų57.55%0.04931%0.307CS..  trans-92.3113.5168.9-178.80000109.1I72 Q432 I433I72-S430 WeakPolarHBondContact CA-OG 3.48Å; I72-S430 WeakPolarHBondContact O-CB 3.45Å; I72-S430 PolarHBondContact O-OG 2.89Å; S430-Q432 PolarHBondContact O-N 3.06Å; S430-Q432 VanDerWaalsContact O-N 3.1Å; S430-I433 CarbonylContact O-C 3Å; S430-I433 PolarHBondContact O-N 3.02Å
431I87.3Confident92.6Very high154 Ų15457.2 Ų57.279%0.7931%0.31SS*.THydrogen-bonded Turntrans-59.3-25179.1-62.7170.4000111.3I433I431-I433 PolarHBondContact O-N 2.94Å
432Q91Very high93.2Very high60 Ų6059.2 Ų59.228%0.2831%0.31SS..THydrogen-bonded Turntrans-73.2-14.9-179.7-54.2-50.4-29.200113.9E71 I72 S430 K499E71-Q432 HydrophobicContact CB-CG 3.96Å; E71-Q432 VanDerWaalsContact O-CG 3.27Å; E71-Q432 WeakPolarHBondContact O-CG 3.48Å; I72-Q432 HydrophobicContact CG1-CB 3.96Å; S430-Q432 PolarHBondContact O-N 3.06Å; S430-Q432 VanDerWaalsContact O-N 3.1Å; Q432-K499 PolarHBondContact O-NZ 3.06Å
433I90.6Very high93.4Very high5 Ų557.3 Ų57.33%0.02630%0.296CS..SBendtrans-132.471-175.4-51.9-159.9000109.4I72 S430 I431 F438 L495 F715I72-I433 HydrophobicContact CB-CD1 4.16Å; I72-I433 HydrophobicContact CB-CG1 4.49Å; I72-I433 HydrophobicContact CD1-CD1 3.89Å; I72-I433 HydrophobicContact CD1-CG1 4.42Å; I72-I433 HydrophobicContact CG1-CD1 3.76Å; I72-I433 HydrophobicContact CG1-CG1 3.89Å; I72-I433 HydrophobicContact CG2-CD1 3.32Å; I72-I433 HydrophobicContact CG2-CG1 3.96Å; S430-I433 CarbonylContact O-C 3Å; S430-I433 PolarHBondContact O-N 3.02Å; I431-I433 PolarHBondContact O-N 2.94Å; I433-F438 HydrophobicContact CB-CE2 4.41Å; I433-F438 HydrophobicContact CG2-CD2 4.11Å; I433-F438 HydrophobicContact CG2-CE2 3.23Å; I433-F438 HydrophobicContact CG2-CZ 3.52Å; I433-L495 HydrophobicContact CD1-CB 3.42Å; I433-L495 VanDerWaalsContact CD1-CB 3.42Å; I433-L495 HydrophobicContact CD1-CD1 4.28Å; I433-L495 HydrophobicContact CD1-CG 4.47Å; I433-L495 HydrophobicContact CG2-CB 3.8Å; I433-L495 HydrophobicContact CG2-CD1 3.72Å; I433-L495 HydrophobicContact CG2-CG 4.21Å; I433-F715 HydrophobicContact CG1-CZ 4.4Å
434P92.3Very high93.6Very high40 Ų4059 Ų5926%0.2630%0.302SS..  trans-64129.7176.126.8-32.9000109.6S436 E437P434-S436 PolarHBondContact O-N 3.01Å; P434-E437 VanDerWaalsContact CG-CD 3.41Å; P434-E437 HydrophobicContact CG-CG 3.8Å; P434-E437 VanDerWaalsContact CG-OE1 3.29Å; P434-E437 WeakPolarHBondContact CG-OE1 3.49Å; P434-E437 PolarHBondContact O-N 3.44Å; P434-E437 VanDerWaalsContact O-N 3.09Å
435P93Very high93.7Very high49 Ų4954.7 Ų54.732%0.31828%0.282SS..G310 helixtrans-54.3-30.8-176.8-30.236.1000114.4L403 E437 F438L403-P435 HydrophobicContact CB-CB 3.99Å; L403-P435 HydrophobicContact CB-CG 4.46Å; L403-P435 HydrophobicContact CD1-CB 4.34Å; P435-E437 PolarHBondContact O-N 3.42Å; P435-E437 VanDerWaalsContact O-N 3.15Å; P435-F438 PolarHBondContact O-N 3.46Å; P435-F438 VanDerWaalsContact O-N 3.15Å
436S94.2Very high93.9Very high101 Ų10157.7 Ų57.771%0.70630%0.301SS*.G310 helixtrans-64.1-14.7-179.355.50000114.9P434 F438P434-S436 PolarHBondContact O-N 3.01Å; S436-F438 VanDerWaalsContact C-N 3.3Å
437E94.6Very high94.1Very high78 Ų7856.2 Ų56.236%0.36430%0.295SS..G310 helixtrans-83.5-7176.9-73.6178.6-171.800113.5P434 P435 S460 A461 K499P434-E437 VanDerWaalsContact CG-CD 3.41Å; P434-E437 HydrophobicContact CG-CG 3.8Å; P434-E437 VanDerWaalsContact CG-OE1 3.29Å; P434-E437 WeakPolarHBondContact CG-OE1 3.49Å; P434-E437 PolarHBondContact O-N 3.44Å; P434-E437 VanDerWaalsContact O-N 3.09Å; P435-E437 PolarHBondContact O-N 3.42Å; P435-E437 VanDerWaalsContact O-N 3.15Å; E437-S460 CarbonylContact O-C 3.51Å; E437-S460 WeakPolarHBondContact O-CA 3.36Å; E437-A461 PolarHBondContact O-N 2.8Å; E437-K499 IonicContact OE1-NZ 3.55Å; E437-K499 PolarHBondContact OE1-NZ 3.42Å; E437-K499 WeakPolarHBondContact OE2-CD 3.03Å; E437-K499 VanDerWaalsContact OE2-CE 3.22Å; E437-K499 WeakPolarHBondContact OE2-CE 3.37Å; E437-K499 IonicContact OE2-NZ 3.76Å; E437-K499 PolarHBondContact OE2-NZ 2.92Å
438F96.2Very high94.2Very high9 Ų960 Ų604%0.03931%0.309CS..EExtended strand (participates in β ladder)trans-122.1149.2-174.3-56.9-91.5000110.9L403 I433 P435 S436 E459 L495 V498 K499L403-F438 HydrophobicContact CD1-CB 3.97Å; L403-F438 HydrophobicContact CD2-CB 3.52Å; L403-F438 HydrophobicContact CD2-CD2 4.29Å; L403-F438 HydrophobicContact CD2-CG 3.92Å; L403-F438 HydrophobicContact CG-CB 4.41Å; I433-F438 HydrophobicContact CB-CE2 4.41Å; I433-F438 HydrophobicContact CG2-CD2 4.11Å; I433-F438 HydrophobicContact CG2-CE2 3.23Å; I433-F438 HydrophobicContact CG2-CZ 3.52Å; P435-F438 PolarHBondContact O-N 3.46Å; P435-F438 VanDerWaalsContact O-N 3.15Å; S436-F438 VanDerWaalsContact C-N 3.3Å; F438-E459 WeakPolarHBondContact CA-O 3.27Å; F438-L495 HydrophobicContact CD1-CD2 4.07Å; F438-L495 HydrophobicContact CE1-CB 4.38Å; F438-L495 HydrophobicContact CE1-CD2 4.12Å; F438-L495 HydrophobicContact CG-CD2 4.41Å; F438-L495 HydrophobicContact CZ-CB 4.37Å; F438-V498 HydrophobicContact CD1-CB 4.27Å; F438-V498 HydrophobicContact CD1-CG1 3.68Å; F438-V498 HydrophobicContact CE1-CB 3.98Å; F438-V498 HydrophobicContact CE1-CG1 3.7Å; F438-K499 HydrophobicContact CE1-CB 4.27Å; F438-K499 HydrophobicContact CZ-CB 4.07Å; F438-K499 HydrophobicContact CZ-CD 4.24Å
439E96Very high94.4Very high84 Ų8463.4 Ų63.439%0.39333%0.327SS..EExtended strand (participates in β ladder)trans-118141171.4-176.761-157.400109.3T441 I458 E459 A464E439-T441 HydrophobicContact CG-CG2 3.9Å; E439-I458 WeakPolarHBondContact O-CA 3.44Å; E439-E459 PolarHBondContact N-O 2.96Å; E439-E459 PolarHBondContact O-N 2.9Å; E439-A464 HydrophobicContact CB-CB 3.74Å; E439-A464 HydrophobicContact CG-CB 3.81Å
440V96.6Very high94.7Very high47 Ų4761.2 Ų61.229%0.28533%0.329SS..EExtended strand (participates in β ladder)trans-121.2107.1176-175.20000109F402 L403 T456 I457 I458F402-V440 HydrophobicContact CB-CG2 4.2Å; F402-V440 HydrophobicContact CD2-CG1 3.87Å; F402-V440 HydrophobicContact CE2-CG1 4.4Å; L403-V440 HydrophobicContact CD1-CG2 3.93Å; L403-V440 HydrophobicContact CD2-CG2 4.26Å; L403-V440 HydrophobicContact CG-CG2 3.96Å; V440-T456 HydrophobicContact CG1-CG2 3.49Å; V440-T456 VanDerWaalsContact CG1-CG2 3.49Å; V440-I457 CarbonylContact C-O 3.48Å; V440-I457 WeakPolarHBondContact CA-O 3.4Å; V440-I458 HydrophobicContact CG1-CG1 4.2Å; V440-I458 HydrophobicContact CG2-CG1 4.17Å
441T95.4Very high95.2Very high37 Ų3762 Ų6223%0.22734%0.336CS..EExtended strand (participates in β ladder)trans-107.4157.1176.662.20000111.4E439 T456 I457E439-T441 HydrophobicContact CG-CG2 3.9Å; T441-T456 CarbonylContact O-C 3.57Å; T441-T456 WeakPolarHBondContact O-CA 3.49Å; T441-I457 PolarHBondContact N-O 3.25Å; T441-I457 PolarHBondContact O-N 2.86Å
442R94.8Very high95.7Very high93 Ų9360.3 Ų60.335%0.35133%0.325SS..EExtended strand (participates in β ladder)trans-123.9143.6175.5-73.2-174.5-179.3142.54.1110.6T358 H359 L455 T456T358-R442 PolarHBondContact OG1-NE 3.4Å; T358-R442 PolarHBondContact OG1-NH2 3.5Å; H359-R442 PolarHBondContact ND1-NH1 3.22Å; R442-L455 WeakPolarHBondContact CA-O 3.14Å; R442-T456 HydrophobicContact CG-CG2 4.38Å
443Q94.7Very high96.1Very high35 Ų3557.5 Ų57.516%0.16431%0.312CS..EExtended strand (participates in β ladder)trans-138.3162.9178.6-55.2-166.5-7.500110.7P454 L455 I457 Y548Q443-P454 WeakPolarHBondContact O-CA 3.4Å; Q443-L455 PolarHBondContact N-O 3.02Å; Q443-L455 PolarHBondContact O-N 2.87Å; Q443-I457 HydrophobicContact CG-CD1 4.06Å; Q443-Y548 PolarHBondContact NE2-OH 2.89Å
444L97.2Very high96.4Very high95 Ų9557.9 Ų57.950%0.49731%0.314SS..EExtended strand (participates in β ladder)trans-113.5130.3168.9-64.7174.4000107.7E452 P454L444-E452 HydrophobicContact CB-CB 4.4Å; L444-E452 HydrophobicContact CD1-CB 4.5Å; L444-E452 HydrophobicContact CD2-CB 4.35Å; L444-P454 HydrophobicContact CD2-CB 4.37Å; L444-P454 HydrophobicContact CD2-CG 4.27Å
445C97.5Very high96.7Very high3 Ų356 Ų562%0.0230%0.302CS..EExtended strand (participates in β ladder)trans-117.2128.3178.5-56.90000108.5I453 L455 C542C445-I453 PolarHBondContact N-O 3.32Å; C445-I453 WeakPolarHBondContact O-CB 3.41Å; C445-I453 PolarHBondContact O-N 3.2Å; C445-L455 VanDerWaalsContact SG-CD2 3.57Å; C445-C542 HydrophobicContact CB-CB 3.53Å; C445-C542 WeakPolarHBondContact CB-SG 3.31Å; C445-C542 WeakPolarHBondContact SG-CB 3.25Å; C445-C542 CovalentContact SG-SG 2.05Å; C445-C542 PolarHBondContact SG-SG 3.3Å
446T98.4Very high96.9Very high97 Ų9753.7 Ų53.760%0.59529%0.287SS*.EExtended strand (participates in β ladder)trans-80.6124-177-50.70000110.9
447S98.5Very high97.1Very high8 Ų848.9 Ų48.96%0.05625%0.254CS..  trans-78.5175.6174-161.80000112.2D449 G450 A451 D535S447-D449 PolarHBondContact O-N 3.5Å; S447-D449 VanDerWaalsContact O-N 3.13Å; S447-G450 PolarHBondContact O-N 3.45Å; S447-A451 PolarHBondContact N-O 2.87Å; S447-D535 WeakPolarHBondContact CB-OD1 3.34Å; S447-D535 PolarHBondContact OG-OD1 2.61Å
448W97.1Very high97.2Very high163 Ų16345.2 Ų45.262%0.61724%0.236SC*.THydrogen-bonded Turntrans-57.6-28.6-174.478.6-77.6000114.3N531 H534W448-N531 PolarHBondContact NE1-OD1 2.79Å; W448-N531 VanDerWaalsContact NE1-OD1 3.08Å; W448-H534 HydrophobicContact CB-CB 4.44Å; W448-H534 AromaticContact CD1-CG 3.55Å; W448-H534 AromaticContact CD1-ND1 3.05Å; W448-H534 AromaticContact CD2-ND1 3.52Å; W448-H534 AromaticContact CE2-ND1 3.63Å; W448-H534 HydrophobicContact CG-CB 4.03Å; W448-H534 AromaticContact CG-CG 3.96Å; W448-H534 AromaticContact CG-ND1 3.11Å; W448-H534 AromaticContact NE1-CG 3.92Å; W448-H534 AromaticContact NE1-ND1 3.29Å; W448-H534 PolarHBondContact NE1-ND1 3.24Å
449D98Very high97.2Very high74 Ų7445.3 Ų45.340%0.39624%0.237SC..THydrogen-bonded Turntrans-106.313.7-178.163.9-14.3000113.1S447 A451 R511S447-D449 PolarHBondContact O-N 3.5Å; S447-D449 VanDerWaalsContact O-N 3.13Å; D449-A451 VanDerWaalsContact C-N 3.34Å; D449-A451 WeakPolarHBondContact OD1-CB 3.04Å; D449-A451 PolarHBondContact OD1-N 3.32Å; D449-R511 IonicContact OD1-CZ 3.41Å; D449-R511 IonicContact OD1-NH1 3.1Å; D449-R511 IonicContact OD1-NH2 3.58Å; D449-R511 PolarHBondContact OD1-NH2 2.79Å; D449-R511 IonicContact OD2-CZ 2.74Å; D449-R511 IonicContact OD2-NH1 2.81Å; D449-R511 PolarHBondContact OD2-NH1 2.8Å; D449-R511 IonicContact OD2-NH2 2.73Å; D449-R511 PolarHBondContact OD2-NH2 2.65Å
450G98.1Very high97.2Very high47 Ų4742.4 Ų42.449%0.48523%0.226SC..SBendtrans85.7-1.617900000114.9S447 E452S447-G450 PolarHBondContact O-N 3.45Å; G450-E452 PolarHBondContact O-N 2.9Å
451A97.8Very high97Very high22 Ų2241.7 Ų41.718%0.18223%0.225CC..  trans-61.5133.7174.400000111.2S447 D449 I453S447-A451 PolarHBondContact N-O 2.87Å; D449-A451 VanDerWaalsContact C-N 3.34Å; D449-A451 WeakPolarHBondContact OD1-CB 3.04Å; D449-A451 PolarHBondContact OD1-N 3.32Å; A451-I453 HydrophobicContact CB-CD1 4.16Å
452E97.7Very high96.8Very high120 Ų12047.2 Ų47.256%0.56125%0.246SC*.EExtended strand (participates in β ladder)trans-86.4113.7175.4-65.2-170.5126.600110.3L444 G450L444-E452 HydrophobicContact CB-CB 4.4Å; L444-E452 HydrophobicContact CD1-CB 4.5Å; L444-E452 HydrophobicContact CD2-CB 4.35Å; G450-E452 PolarHBondContact O-N 2.9Å
453I98.3Very high96.4Very high0 Ų044.7 Ų44.70%025%0.245CC..EExtended strand (participates in β ladder)trans-97.3118-177.8-49-51.8000109C445 A451 L455 V510 W520 D535C445-I453 PolarHBondContact N-O 3.32Å; C445-I453 WeakPolarHBondContact O-CB 3.41Å; C445-I453 PolarHBondContact O-N 3.2Å; A451-I453 HydrophobicContact CB-CD1 4.16Å; I453-L455 PolarHBondContact O-N 2.81Å; I453-V510 HydrophobicContact CG2-CG1 4.19Å; I453-W520 HydrophobicContact CD1-CH2 3.75Å; I453-W520 HydrophobicContact CD1-CZ2 3.93Å; I453-D535 HydrophobicContact CD1-CB 3.84Å; I453-D535 WeakPolarHBondContact CD1-OD2 3.49Å; I453-D535 HydrophobicContact CG1-CB 3.9Å; I453-D535 HydrophobicContact CG2-CB 4.43Å
454P98.1Very high96Very high13 Ų1345 Ų458%0.08425%0.253CS..EExtended strand (participates in β ladder)trans-65.9133.1173.7-1628.9000111.2T358 Q443 L444 N509 F516T358-P454 HydrophobicContact CG2-CB 4.27Å; Q443-P454 WeakPolarHBondContact O-CA 3.4Å; L444-P454 HydrophobicContact CD2-CB 4.37Å; L444-P454 HydrophobicContact CD2-CG 4.27Å; P454-N509 HydrophobicContact CB-CB 4.03Å; P454-N509 HydrophobicContact CG-CB 4.16Å; P454-N509 PolarHBondContact O-N 2.88Å; P454-F516 HydrophobicContact CG-CE2 3.59Å; P454-F516 HydrophobicContact CG-CZ 3.5Å; P454-F516 VanDerWaalsContact CG-CZ 3.5Å
455L98.4Very high95.3Very high1 Ų145 Ų451%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-126.3117.6175.6-176.665.1000108.2R442 Q443 C445 I453 I457 L476 A506 A508 A539 C542 L543R442-L455 WeakPolarHBondContact CA-O 3.14Å; Q443-L455 PolarHBondContact N-O 3.02Å; Q443-L455 PolarHBondContact O-N 2.87Å; C445-L455 VanDerWaalsContact SG-CD2 3.57Å; I453-L455 PolarHBondContact O-N 2.81Å; L455-I457 HydrophobicContact CD2-CD1 4.04Å; L455-I457 HydrophobicContact CD2-CG1 4.15Å; L455-I457 HydrophobicContact CG-CD1 4.38Å; L455-I457 HydrophobicContact CG-CG1 3.99Å; L455-L476 HydrophobicContact CD1-CD1 3.8Å; L455-A506 HydrophobicContact CD1-CB 3.89Å; L455-A508 HydrophobicContact CD1-CB 4.15Å; L455-A539 HydrophobicContact CD1-CB 4.1Å; L455-C542 HydrophobicContact CD2-CB 4.48Å; L455-L543 HydrophobicContact CD2-CD2 3.84Å; L455-L543 HydrophobicContact CD2-CG 3.87Å
456T98.1Very high94.5Very high1 Ų147.4 Ų47.41%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-96.2132.1170.6-57.20000109F402 V440 T441 R442 I458 A506 V507F402-T456 HydrophobicContact CD2-CG2 4.18Å; F402-T456 HydrophobicContact CE2-CG2 3.56Å; F402-T456 HydrophobicContact CZ-CG2 3.95Å; V440-T456 HydrophobicContact CG1-CG2 3.49Å; V440-T456 VanDerWaalsContact CG1-CG2 3.49Å; T441-T456 CarbonylContact O-C 3.57Å; T441-T456 WeakPolarHBondContact O-CA 3.49Å; R442-T456 HydrophobicContact CG-CG2 4.38Å; T456-I458 HydrophobicContact CG2-CG1 4.44Å; T456-A506 CarbonylContact O-C 3.59Å; T456-A506 WeakPolarHBondContact O-CA 3.42Å; T456-V507 PolarHBondContact N-O 2.82Å; T456-V507 PolarHBondContact O-N 2.86Å
457I97.5Very high93.2Very high0 Ų052.4 Ų52.40%030%0.295CS..EExtended strand (participates in β ladder)trans-121.5132-175.3-55.1176.8000108.6V440 T441 Q443 L455 V504 A506 L543 Y548V440-I457 CarbonylContact C-O 3.48Å; V440-I457 WeakPolarHBondContact CA-O 3.4Å; T441-I457 PolarHBondContact N-O 3.25Å; T441-I457 PolarHBondContact O-N 2.86Å; Q443-I457 HydrophobicContact CG-CD1 4.06Å; L455-I457 HydrophobicContact CD2-CD1 4.04Å; L455-I457 HydrophobicContact CD2-CG1 4.15Å; L455-I457 HydrophobicContact CG-CD1 4.38Å; L455-I457 HydrophobicContact CG-CG1 3.99Å; I457-V504 HydrophobicContact CG2-CG1 3.49Å; I457-V504 VanDerWaalsContact CG2-CG1 3.49Å; I457-A506 HydrophobicContact CG1-CB 4.45Å; I457-L543 HydrophobicContact CD1-CD2 3.74Å; I457-L543 HydrophobicContact CG1-CD2 4.06Å; I457-Y548 HydrophobicContact CD1-CD2 3.91Å; I457-Y548 HydrophobicContact CD1-CE1 4.23Å; I457-Y548 HydrophobicContact CD1-CE2 3.29Å; I457-Y548 VanDerWaalsContact CD1-CZ 3.47Å; I457-Y548 HydrophobicContact CG2-CD1 4.12Å; I457-Y548 HydrophobicContact CG2-CE1 3.8Å
458I97.7Very high91.4Very high0 Ų062 Ų620%033%0.33CS..EExtended strand (participates in β ladder)trans-126.9118.2-175-55.6163.3000106.9F402 E439 V440 T456 R494 L495 V498 F505F402-I458 HydrophobicContact CB-CD1 3.91Å; F402-I458 HydrophobicContact CD1-CD1 3.37Å; F402-I458 HydrophobicContact CD2-CD1 4.24Å; F402-I458 HydrophobicContact CE1-CD1 3.85Å; F402-I458 HydrophobicContact CG-CD1 3.58Å; F402-I458 HydrophobicContact CG-CG1 4.5Å; F402-I458 HydrophobicContact CZ-CD1 4.46Å; E439-I458 WeakPolarHBondContact O-CA 3.44Å; V440-I458 HydrophobicContact CG1-CG1 4.2Å; V440-I458 HydrophobicContact CG2-CG1 4.17Å; T456-I458 HydrophobicContact CG2-CG1 4.44Å; I458-R494 VanDerWaalsContact CD1-CD 3.47Å; I458-L495 HydrophobicContact CG2-CD2 4.49Å; I458-V498 HydrophobicContact CG2-CG2 4.45Å; I458-V498 WeakPolarHBondContact O-CG2 3.21Å; I458-F505 HydrophobicContact CB-CB 4.47Å; I458-F505 WeakPolarHBondContact CB-O 3.23Å; I458-F505 PolarHBondContact N-O 3.46Å; I458-F505 PolarHBondContact O-N 2.62Å
459E96.4Very high90.1Very high11 Ų1159.6 Ų59.65%0.05132%0.321CS..EExtended strand (participates in β ladder)trans-142.5175.2-177.465.6-173.7144.600109.6F438 E439 A464 V504 Y548F438-E459 WeakPolarHBondContact CA-O 3.27Å; E439-E459 PolarHBondContact N-O 2.96Å; E439-E459 PolarHBondContact O-N 2.9Å; E459-A464 HydrophobicContact CG-CB 4.02Å; E459-V504 HydrophobicContact CB-CG2 4.13Å; E459-Y548 WeakPolarHBondContact OE1-CE1 3.5Å
460S94.4Very high88.7Confident23 Ų2363.7 Ų63.716%0.16134%0.337CS..EExtended strand (participates in β ladder)trans-69.2142.3173.772.50000110.6E437 K462 A463 A464E437-S460 CarbonylContact O-C 3.51Å; E437-S460 WeakPolarHBondContact O-CA 3.36Å; S460-K462 PolarHBondContact O-N 3.44Å; S460-A463 PolarHBondContact O-N 3.47Å; S460-A463 VanDerWaalsContact OG-CB 3.25Å; S460-A463 WeakPolarHBondContact OG-CB 3.47Å; S460-A463 PolarHBondContact OG-N 3.19Å; S460-A463 VanDerWaalsContact OG-N 3.09Å; S460-A464 PolarHBondContact O-N 3.02Å
461A93.3Very high88.2Confident32 Ų3265.8 Ų65.826%0.26434%0.336SS..Hα-helixtrans-57.3-34.6176.500000111.7E437 A464 S465E437-A461 PolarHBondContact O-N 2.8Å; A461-A464 PolarHBondContact O-N 2.98Å; A461-S465 PolarHBondContact O-N 3.15Å; A461-S465 VanDerWaalsContact O-N 3.12Å; A461-S465 PolarHBondContact O-OG 2.87Å
462K90Very high88.1Confident154 Ų15465.4 Ų65.467%0.6733%0.333SS*.Hα-helixtrans-60.7-48.1173.4-177-174.8172-164.50111.8S460 S465 S466S460-K462 PolarHBondContact O-N 3.44Å; K462-S465 PolarHBondContact O-N 3.17Å; K462-S465 PolarHBondContact O-OG 2.84Å; K462-S466 PolarHBondContact O-N 2.88Å
463A87.9Confident88.1Confident40 Ų4060.2 Ų60.233%0.33131%0.309SS..Hα-helixtrans-64.9-43.3178.500000111.8S460 S465 S466S460-A463 PolarHBondContact O-N 3.47Å; S460-A463 VanDerWaalsContact OG-CB 3.25Å; S460-A463 WeakPolarHBondContact OG-CB 3.47Å; S460-A463 PolarHBondContact OG-N 3.19Å; S460-A463 VanDerWaalsContact OG-N 3.09Å; A463-S465 PolarHBondContact O-N 3.01Å; A463-S466 VanDerWaalsContact O-CB 3.31Å; A463-S466 WeakPolarHBondContact O-CB 3.45Å; A463-S466 PolarHBondContact O-N 2.94Å
464A86.4Confident88.1Confident41 Ų4160.2 Ų60.234%0.33931%0.309SS..Hα-helixtrans-59.5-33.2178.200000113E439 E459 S460 A461E439-A464 HydrophobicContact CB-CB 3.74Å; E439-A464 HydrophobicContact CG-CB 3.81Å; E459-A464 HydrophobicContact CG-CB 4.02Å; S460-A464 PolarHBondContact O-N 3.02Å; A461-A464 PolarHBondContact O-N 2.98Å
465S82.3Confident88.1Confident96 Ų9659.7 Ų59.767%0.67131%0.305SS*.THydrogen-bonded Turntrans-82.4-6.217870.50000115A461 K462 A463A461-S465 PolarHBondContact O-N 3.15Å; A461-S465 VanDerWaalsContact O-N 3.12Å; A461-S465 PolarHBondContact O-OG 2.87Å; K462-S465 PolarHBondContact O-N 3.17Å; K462-S465 PolarHBondContact O-OG 2.84Å; A463-S465 PolarHBondContact O-N 3.01Å
466S80.8Confident88.2Confident52 Ų5259.6 Ų59.636%0.36431%0.305SS..  trans-78.3131.7-177.7178.20000111.7K462 A463 R468K462-S466 PolarHBondContact O-N 2.88Å; A463-S466 VanDerWaalsContact O-CB 3.31Å; A463-S466 WeakPolarHBondContact O-CB 3.45Å; A463-S466 PolarHBondContact O-N 2.94Å; S466-R468 PolarHBondContact O-N 2.94Å; S466-R468 PolarHBondContact OG-N 2.82Å; S466-R468 PolarHBondContact OG-O 2.8Å
467E70.9Confident88.2Confident203 Ų20361.9 Ų61.995%0.94931%0.314SS*.SBendtrans-63.2-24.5172-66.4-173.6168.400112.9
468R61.1Low88.2Confident209 Ų20961.9 Ų61.979%0.78931%0.314SS*.SBendtrans-108.2110173.2-78.6-171.6-87.7-172.9-6.7109.4S466 Q470S466-R468 PolarHBondContact O-N 2.94Å; S466-R468 PolarHBondContact OG-N 2.82Å; S466-R468 PolarHBondContact OG-O 2.8Å; R468-Q470 PolarHBondContact O-N 3.25Å
469R68.8Low88.3Confident113 Ų11363.2 Ų63.243%0.42632%0.319SS..  trans-68.3115164.2-71.4-173.4178.6-171.2-8.3108.6Q546 Y548R469-Q546 WeakPolarHBondContact CD-O 3.09Å; R469-Q546 PolarHBondContact NH1-O 3.02Å; R469-Y548 PolarHBondContact NH1-OH 3.23Å; R469-Y548 VanDerWaalsContact NH2-CZ 3.34Å; R469-Y548 PolarHBondContact NH2-OH 2.78Å
470Q68.8Low88.4Confident160 Ų16062.8 Ų62.875%0.74832%0.318SS*.  trans-80.5133.2168-63.2-174.917.600107.2R468 A472R468-Q470 PolarHBondContact O-N 3.25Å; Q470-A472 VanDerWaalsContact C-N 3.33Å; Q470-A472 PolarHBondContact O-N 3.16Å
471M88.5Confident88.6Confident91 Ų9161.7 Ų61.745%0.44831%0.31SS..  trans-63.397.5172.5-75.4-177.5155.200109.1C550 K553M471-C550 HydrophobicContact CE-CB 4.01Å; M471-C550 HydrophobicContact SD-CB 3.69Å; M471-K553 WeakPolarHBondContact O-CD 3.3Å; M471-K553 PolarHBondContact O-NZ 2.8Å
472A94.7Very high88.7Confident14 Ų1461.9 Ų61.912%0.11631%0.305CS..  trans-85.3156.8-175.100000110.8Q470 A474 V504 Y548 T549Q470-A472 VanDerWaalsContact C-N 3.33Å; Q470-A472 PolarHBondContact O-N 3.16Å; A472-A474 PolarHBondContact O-N 3.42Å; A472-V504 HydrophobicContact CB-CG2 3.91Å; A472-Y548 PolarHBondContact N-O 2.75Å; A472-T549 VanDerWaalsContact O-CB 3.29Å; A472-T549 WeakPolarHBondContact O-CB 3.18Å; A472-T549 PolarHBondContact O-OG1 3.36Å
473P97.6Very high89Confident11 Ų1155.6 Ų55.67%0.07128%0.284CS..  trans-58.3136.9162.128.2-33.2000109.2F497 F501 G503 V504 M709 L711P473-F497 HydrophobicContact CB-CZ 4.12Å; P473-F497 HydrophobicContact CG-CZ 4.49Å; P473-F497 WeakPolarHBondContact O-CZ 3.41Å; P473-F501 HydrophobicContact CG-CB 4.24Å; P473-G503 CarbonylContact O-C 3.54Å; P473-G503 WeakPolarHBondContact O-CA 3.17Å; P473-V504 PolarHBondContact O-N 3.23Å; P473-M709 HydrophobicContact CB-SD 3.92Å; P473-L711 HydrophobicContact CB-CD1 3.62Å; P473-L711 HydrophobicContact CB-CD2 4.07Å; P473-L711 HydrophobicContact CG-CD1 3.86Å; P473-L711 HydrophobicContact CG-CD2 4.05Å
474A98.4Very high89.4Confident0 Ų057.3 Ų57.30%029%0.287CS..EExtended strand (participates in β ladder)trans-131.4147.1-177.400000113A472 V504 T549 K553 L554 C555A472-A474 PolarHBondContact O-N 3.42Å; A474-V504 CarbonylContact C-O 3.49Å; A474-V504 WeakPolarHBondContact CA-O 3.39Å; A474-V504 HydrophobicContact CB-CB 4.2Å; A474-V504 WeakPolarHBondContact CB-O 3.2Å; A474-T549 HydrophobicContact CB-CG2 3.76Å; A474-K553 PolarHBondContact N-O 3.21Å; A474-L554 HydrophobicContact CB-CD1 4Å; A474-C555 WeakPolarHBondContact O-CB 3.48Å; A474-C555 PolarHBondContact O-N 3.08Å
475I98.8Very high90Very high1 Ų156.3 Ų56.31%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-114.5122.6165.4-62.5173.2000107.8F497 V504 F505 A506 C555 M557 I705I475-F497 HydrophobicContact CB-CE1 4.35Å; I475-F497 HydrophobicContact CD1-CB 4.22Å; I475-F497 HydrophobicContact CD1-CD1 3.87Å; I475-F497 HydrophobicContact CD1-CD2 3.55Å; I475-F497 HydrophobicContact CD1-CE1 4.11Å; I475-F497 HydrophobicContact CD1-CE2 3.85Å; I475-F497 HydrophobicContact CD1-CG 3.58Å; I475-F497 HydrophobicContact CD1-CZ 4.11Å; I475-F497 HydrophobicContact CG1-CD1 4.13Å; I475-F497 HydrophobicContact CG1-CD2 4.12Å; I475-F497 HydrophobicContact CG1-CE1 3.86Å; I475-F497 HydrophobicContact CG1-CE2 3.89Å; I475-F497 HydrophobicContact CG1-CG 4.26Å; I475-F497 HydrophobicContact CG1-CZ 3.75Å; I475-V504 PolarHBondContact N-O 3.35Å; I475-F505 HydrophobicContact CB-CD2 3.75Å; I475-F505 HydrophobicContact CB-CE2 3.92Å; I475-F505 HydrophobicContact CB-CG 4.44Å; I475-F505 HydrophobicContact CD1-CD2 4.12Å; I475-F505 HydrophobicContact CD1-CE2 4.14Å; I475-F505 HydrophobicContact CG1-CD2 4.48Å; I475-F505 HydrophobicContact CG2-CD2 3.96Å; I475-F505 HydrophobicContact CG2-CE2 3.58Å; I475-F505 HydrophobicContact CG2-CZ 4.06Å; I475-F505 CarbonylContact O-C 3.55Å; I475-F505 WeakPolarHBondContact O-CA 3.17Å; I475-A506 PolarHBondContact O-N 3.07Å; I475-C555 CarbonylContact C-O 3.46Å; I475-C555 WeakPolarHBondContact CA-O 3.36Å; I475-C555 HydrophobicContact CG1-CB 4.19Å; I475-M557 HydrophobicContact CG2-CB 3.79Å; I475-M557 HydrophobicContact CG2-SD 4.3Å; I475-I705 HydrophobicContact CD1-CD1 3.61Å; I475-I705 HydrophobicContact CG1-CD1 4Å
476L98.9Very high90.7Very high0 Ų052.8 Ų52.80%025%0.25CS..EExtended strand (participates in β ladder)trans-101.6118.3167.3175.664.6000109.3L455 A506 A508 F536 A539 A540 L543 L554 C555 I556 M557L455-L476 HydrophobicContact CD1-CD1 3.8Å; L476-A506 HydrophobicContact CD1-CB 3.88Å; L476-A508 HydrophobicContact CD1-CB 4Å; L476-F536 HydrophobicContact CB-CZ 4.43Å; L476-F536 HydrophobicContact CD1-CE2 4.32Å; L476-F536 HydrophobicContact CD2-CD1 4.45Å; L476-F536 HydrophobicContact CD2-CD2 4.3Å; L476-F536 HydrophobicContact CD2-CE1 4.12Å; L476-F536 HydrophobicContact CD2-CE2 3.94Å; L476-F536 HydrophobicContact CD2-CZ 3.87Å; L476-F536 HydrophobicContact CG-CD2 4.46Å; L476-F536 HydrophobicContact CG-CE1 4.36Å; L476-F536 HydrophobicContact CG-CE2 3.69Å; L476-F536 HydrophobicContact CG-CZ 3.65Å; L476-A539 HydrophobicContact CD1-CB 4.28Å; L476-A539 HydrophobicContact CD2-CB 4.16Å; L476-A540 HydrophobicContact CD2-CB 3.78Å; L476-L543 HydrophobicContact CB-CD1 4.16Å; L476-L543 HydrophobicContact CD1-CD1 4.08Å; L476-L554 HydrophobicContact CB-CD1 4.04Å; L476-C555 PolarHBondContact N-O 3.21Å; L476-I556 HydrophobicContact CB-CG2 4.32Å; L476-I556 HydrophobicContact CD2-CG2 4.47Å; L476-I556 WeakPolarHBondContact O-CA 3.15Å; L476-M557 PolarHBondContact O-N 3.45Å
477Y98.9Very high91.5Very high49 Ų4951.5 Ų51.519%0.19224%0.239CC..EExtended strand (participates in β ladder)trans-102.7140.9178.8-173.6-82.1000112M486 F505 A506 A508 M557Y477-M486 HydrophobicContact CD1-CE 3.78Å; Y477-M486 HydrophobicContact CE1-CE 3.25Å; Y477-M486 HydrophobicContact CE1-SD 3.96Å; Y477-F505 HydrophobicContact CD2-CZ 4.42Å; Y477-F505 HydrophobicContact CG-CE1 4.49Å; Y477-F505 HydrophobicContact CG-CZ 4.35Å; Y477-A506 PolarHBondContact N-O 3.41Å; Y477-A508 PolarHBondContact O-N 3.45Å; Y477-M557 WeakPolarHBondContact CA-O 3.35Å; Y477-M557 HydrophobicContact CD2-CB 4.22Å; Y477-M557 HydrophobicContact CD2-CG 3.99Å; Y477-M557 HydrophobicContact CD2-SD 4.5Å; Y477-M557 HydrophobicContact CE2-CG 4.38Å
478G98.7Very high92.7Very high0 Ų041.9 Ų41.90%019%0.194CC..  trans-155.9166.2173.400000113.9M557G478-M557 PolarHBondContact N-O 2.83Å
479Y98.7Very high94.4Very high27 Ų2735 Ų3511%0.10617%0.173CC..  trans-130.3-71.6175.8-173.5-97.6000111.4G481 F482 I484 M486 G559 N561Y479-G481 WeakPolarHBondContact CE1-O 3.36Å; Y479-F482 HydrophobicContact CE1-CD2 4.02Å; Y479-F482 WeakPolarHBondContact OH-CD2 3.21Å; Y479-I484 HydrophobicContact CD1-CB 4.02Å; Y479-I484 HydrophobicContact CD1-CG2 4.3Å; Y479-I484 HydrophobicContact CE1-CB 3.89Å; Y479-I484 HydrophobicContact CE1-CD1 3.72Å; Y479-I484 HydrophobicContact CE1-CG1 4.19Å; Y479-I484 HydrophobicContact CE1-CG2 4.4Å; Y479-M486 HydrophobicContact CG-SD 4.49Å; Y479-G559 WeakPolarHBondContact CE2-O 3.32Å; Y479-N561 HydrophobicContact CD2-CB 4.33Å; Y479-N561 HydrophobicContact CE1-CB 4.04Å; Y479-N561 HydrophobicContact CE2-CB 3.73Å; Y479-N561 PolarHBondContact O-ND2 2.65Å
480G98.4Very high95.7Very high2 Ų231 Ų312%0.02116%0.159CC..  trans71.364.817000000115.5V510 R511 K529 V532 N561G480-V510 VanDerWaalsContact CA-CG2 3.45Å; G480-R511 WeakPolarHBondContact CA-O 3.31Å; G480-K529 PolarHBondContact O-NZ 3.43Å; G480-V532 WeakPolarHBondContact O-CG1 3.31Å; G480-N561 PolarHBondContact O-ND2 2.78Å
481G98.1Very high97Very high0 Ų026 Ų260%014%0.137CC..  trans173.2169.4176.300000112.7Y479 G483 I484 G512 N561 E604Y479-G481 WeakPolarHBondContact CE1-O 3.36Å; G481-G483 PolarHBondContact O-N 2.84Å; G481-I484 PolarHBondContact O-N 2.81Å; G481-I484 VanDerWaalsContact O-N 3.1Å; G481-G512 CarbonylContact C-O 3.43Å; G481-G512 WeakPolarHBondContact CA-O 3.21Å; G481-G512 VanDerWaalsContact N-C 3.33Å; G481-G512 PolarHBondContact N-O 3.44Å; G481-N561 PolarHBondContact N-ND2 3.18Å; G481-E604 WeakPolarHBondContact CA-OE1 3.45Å
482F96.8Very high97.3Very high37 Ų3722.2 Ų22.216%0.16212%0.119CC..THydrogen-bonded Turntrans58.817173.4-58.9-83.8000115.1C257 Y479 I484 G512 N561 W601 E604 Y605C257-F482 HydrophobicContact CB-CD1 3.64Å; C257-F482 HydrophobicContact CB-CE1 3.78Å; Y479-F482 HydrophobicContact CE1-CD2 4.02Å; Y479-F482 WeakPolarHBondContact OH-CD2 3.21Å; F482-I484 HydrophobicContact CB-CD1 4.17Å; F482-I484 HydrophobicContact CB-CG1 4.09Å; F482-I484 PolarHBondContact O-N 2.97Å; F482-I484 VanDerWaalsContact O-N 3.16Å; F482-G512 PolarHBondContact N-O 2.72Å; F482-N561 HydrophobicContact CD2-CB 4.19Å; F482-N561 HydrophobicContact CE2-CB 3.85Å; F482-W601 HydrophobicContact CE1-CB 4.01Å; F482-W601 AromaticContact CE1-CD1 3.87Å; F482-W601 HydrophobicContact CE1-CG 4.06Å; F482-W601 HydrophobicContact CZ-CB 3.92Å; F482-W601 AromaticContact CZ-CG 3.91Å; F482-W601 HydrophobicContact CZ-CG 3.91Å; F482-E604 HydrophobicContact CD1-CB 3.97Å; F482-E604 HydrophobicContact CD1-CG 4.11Å; F482-E604 HydrophobicContact CD2-CG 4.15Å; F482-E604 HydrophobicContact CE1-CB 3.57Å; F482-E604 HydrophobicContact CE1-CG 3.9Å; F482-E604 HydrophobicContact CE2-CB 4.47Å; F482-E604 HydrophobicContact CE2-CG 3.92Å; F482-E604 HydrophobicContact CG-CG 4.25Å; F482-E604 HydrophobicContact CZ-CB 3.86Å; F482-E604 HydrophobicContact CZ-CG 3.81Å; F482-E604 VanDerWaalsContact N-CD 3.27Å; F482-E604 PolarHBondContact N-OE1 3.33Å; F482-E604 PolarHBondContact N-OE2 3.01Å; F482-E604 VanDerWaalsContact N-OE2 3.08Å; F482-Y605 HydrophobicContact CE2-CE2 4.25Å; F482-Y605 AromaticContact CE2-CZ 3.85Å; F482-Y605 WeakPolarHBondContact CE2-OH 3.28Å; F482-Y605 AromaticContact CZ-CE2 3.77Å; F482-Y605 HydrophobicContact CZ-CE2 3.77Å; F482-Y605 AromaticContact CZ-CZ 3.85Å
483G95.7Very high97.3Very high21 Ų2121.7 Ų21.722%0.21612%0.115CC..THydrogen-bonded Turntrans65.912.8-174.700000113.7G481 S485 G512 G514 H521G481-G483 PolarHBondContact O-N 2.84Å; G483-S485 PolarHBondContact O-N 3.38Å; G483-G512 PolarHBondContact N-O 2.9Å; G483-G514 VanDerWaalsContact O-CA 3.22Å; G483-G514 WeakPolarHBondContact O-CA 3.41Å; G483-G514 PolarHBondContact O-N 2.58Å; G483-H521 PolarHBondContact N-CD2 3.5Å; G483-H521 VanDerWaalsContact N-CD2 3.32Å; G483-H521 PolarHBondContact N-NE2 3.08Å
484I96.6Very high97.3Very high77 Ų7721.6 Ų21.640%0.39511%0.113SC..  trans-76.6123.6-179.6-65.2180000108.9Y479 G481 F482 G513Y479-I484 HydrophobicContact CD1-CB 4.02Å; Y479-I484 HydrophobicContact CD1-CG2 4.3Å; Y479-I484 HydrophobicContact CE1-CB 3.89Å; Y479-I484 HydrophobicContact CE1-CD1 3.72Å; Y479-I484 HydrophobicContact CE1-CG1 4.19Å; Y479-I484 HydrophobicContact CE1-CG2 4.4Å; G481-I484 PolarHBondContact O-N 2.81Å; G481-I484 VanDerWaalsContact O-N 3.1Å; F482-I484 HydrophobicContact CB-CD1 4.17Å; F482-I484 HydrophobicContact CB-CG1 4.09Å; F482-I484 PolarHBondContact O-N 2.97Å; F482-I484 VanDerWaalsContact O-N 3.16Å; I484-G513 WeakPolarHBondContact O-CA 3.41Å
485S97.4Very high97.2Very high20 Ų2021.6 Ų21.614%0.1411%0.113CC..  trans-90.6132.1179.7-50.80000111G483 L487 G514 E515G483-S485 PolarHBondContact O-N 3.38Å; S485-L487 PolarHBondContact O-N 2.75Å; S485-L487 VanDerWaalsContact O-N 3.15Å; S485-G514 VanDerWaalsContact OG-C 3.24Å; S485-G514 WeakPolarHBondContact OG-CA 3.49Å; S485-E515 WeakPolarHBondContact CA-OE1 3.36Å; S485-E515 PolarHBondContact OG-N 3.46Å
486M97.7Very high97.1Very high22 Ų2221.5 Ų21.511%0.10811%0.112CC..  trans-84.684.6176.7-67.5-53.1-44.400111.3Y477 Y479 V507 N509 E515Y477-M486 HydrophobicContact CD1-CE 3.78Å; Y477-M486 HydrophobicContact CE1-CE 3.25Å; Y477-M486 HydrophobicContact CE1-SD 3.96Å; Y479-M486 HydrophobicContact CG-SD 4.49Å; M486-V507 HydrophobicContact CB-CG1 3.84Å; M486-N509 WeakPolarHBondContact CB-ND2 3.14Å; M486-N509 PolarHBondContact O-ND2 2.98Å; M486-E515 PolarHBondContact N-OE1 3.02Å
487L97.4Very high97.1Very high25 Ų2521.5 Ų21.513%0.13111%0.112CC..  trans-93.7162.1-173-52.4-177.2000113.3L355 H360 T382 S485 N489L355-L487 HydrophobicContact CD1-CD1 4.43Å; L355-L487 HydrophobicContact CD1-CD2 3.43Å; L355-L487 VanDerWaalsContact CD1-CD2 3.43Å; L355-L487 HydrophobicContact CD2-CD2 4.07Å; L355-L487 HydrophobicContact CG-CD2 4.42Å; H360-L487 VanDerWaalsContact NE2-CD1 3.3Å; H360-L487 WeakPolarHBondContact NE2-CD1 3.42Å; T382-L487 HydrophobicContact CG2-CB 4.05Å; T382-L487 HydrophobicContact CG2-CD1 3.75Å; T382-L487 WeakPolarHBondContact OG1-CB 3.43Å; S485-L487 PolarHBondContact O-N 2.75Å; S485-L487 VanDerWaalsContact O-N 3.15Å; L487-N489 PolarHBondContact O-N 3.25Å
488P97.6Very high97Very high0 Ų019.2 Ų19.20%010%0.103CC..  trans-52.5118.7172.9-2630.4000112.2T358 T382 F402T358-P488 WeakPolarHBondContact O-CD 3.19Å; T382-P488 VanDerWaalsContact CB-O 3.24Å; T382-P488 WeakPolarHBondContact CB-O 3.31Å; T382-P488 PolarHBondContact OG1-O 2.9Å; F402-P488 HydrophobicContact CD2-CB 3.7Å; F402-P488 HydrophobicContact CD2-CG 4.05Å; F402-P488 HydrophobicContact CE1-CB 4.5Å; F402-P488 HydrophobicContact CE2-CB 3.63Å; F402-P488 HydrophobicContact CE2-CG 3.57Å; F402-P488 HydrophobicContact CG-CB 4.18Å; F402-P488 HydrophobicContact CZ-CB 4.07Å; F402-P488 HydrophobicContact CZ-CG 4.11Å
489N96.2Very high96.8Very high64 Ų6421 Ų2134%0.34211%0.111SC..  trans-137.3151.2172.966.67.6000110.1S401 F402 L487 R494S401-N489 CarbonylContact O-C 3.58Å; F402-N489 WeakPolarHBondContact CA-O 3.04Å; L487-N489 PolarHBondContact O-N 3.25Å; N489-R494 PolarHBondContact O-NH1 2.76Å; N489-R494 PolarHBondContact OD1-NH1 3.19Å; N489-R494 PolarHBondContact OD1-NH2 2.83Å; N489-R494 VanDerWaalsContact OD1-NH2 3.09Å
490F95.8Very high96.7Very high29 Ų2919.8 Ų19.813%0.12711%0.107CC..  trans-77.6132.6170.8-171.5-95.6000109.5Y75 T400 S401 A405 T492 L495Y75-F490 HydrophobicContact CE1-CE1 4.05Å; Y75-F490 AromaticContact CZ-CE1 3.89Å; Y75-F490 WeakPolarHBondContact OH-CD1 3.37Å; Y75-F490 WeakPolarHBondContact OH-CE1 3.44Å; T400-F490 PolarHBondContact OG1-N 3.25Å; S401-F490 WeakPolarHBondContact O-CA 3.36Å; S401-F490 PolarHBondContact O-N 2.96Å; A405-F490 VanDerWaalsContact CA-CB 3.47Å; A405-F490 VanDerWaalsContact CA-CG 3.44Å; A405-F490 HydrophobicContact CB-CB 4.16Å; A405-F490 HydrophobicContact CB-CD1 3.56Å; A405-F490 HydrophobicContact CB-CD2 4.01Å; A405-F490 HydrophobicContact CB-CE1 3.83Å; A405-F490 HydrophobicContact CB-CE2 4.24Å; A405-F490 HydrophobicContact CB-CG 3.65Å; A405-F490 HydrophobicContact CB-CZ 4.16Å; F490-T492 HydrophobicContact CD1-CG2 4.41Å; F490-T492 HydrophobicContact CE1-CG2 3.75Å; F490-L495 HydrophobicContact CD2-CD1 3.74Å; F490-L495 HydrophobicContact CE2-CD1 3.29Å; F490-L495 HydrophobicContact CZ-CD1 3.77Å
491N95.2Very high96.6Very high56 Ų5620.3 Ų20.330%0.29911%0.109SC..  trans-145.4121.7-178.6179.6-76.2000109L493 R494 L495N491-L493 WeakPolarHBondContact OD1-CB 3.45Å; N491-L493 PolarHBondContact OD1-N 2.94Å; N491-R494 HydrophobicContact CB-CB 4.11Å; N491-R494 WeakPolarHBondContact O-CB 3.23Å; N491-R494 PolarHBondContact O-N 2.85Å; N491-R494 PolarHBondContact OD1-N 3.15Å; N491-L495 PolarHBondContact O-N 3.23Å
492T94.7Very high96.4Very high11 Ų1126 Ų267%0.06714%0.135CC..Hα-helixtrans-71.2-37.4-172.150.80000112.5I72 E73 Y75 F490 R494 L495 A496I72-T492 HydrophobicContact CG2-CG2 3.56Å; E73-T492 WeakPolarHBondContact OE2-CB 3.46Å; E73-T492 WeakPolarHBondContact OE2-CG2 3.47Å; E73-T492 PolarHBondContact OE2-OG1 3.36Å; Y75-T492 HydrophobicContact CE1-CG2 4.49Å; F490-T492 HydrophobicContact CD1-CG2 4.41Å; F490-T492 HydrophobicContact CE1-CG2 3.75Å; T492-R494 VanDerWaalsContact C-N 3.34Å; T492-R494 PolarHBondContact O-N 2.83Å; T492-L495 PolarHBondContact O-N 3.25Å; T492-A496 WeakPolarHBondContact O-CB 3.45Å; T492-A496 PolarHBondContact O-N 3.09Å
493L96.4Very high96.4Very high4 Ų424.3 Ų24.32%0.02113%0.128CC..Hα-helixtrans-55.8-48.2172.4172.567.3000111.8N491 L495 A496 F497 M557 N698 I701 L702N491-L493 WeakPolarHBondContact OD1-CB 3.45Å; N491-L493 PolarHBondContact OD1-N 2.94Å; L493-L495 PolarHBondContact O-N 3.05Å; L493-A496 PolarHBondContact O-N 3.09Å; L493-F497 VanDerWaalsContact O-CB 3.31Å; L493-F497 WeakPolarHBondContact O-CB 3.44Å; L493-F497 PolarHBondContact O-N 2.68Å; L493-M557 HydrophobicContact CD2-CE 3.6Å; L493-M557 HydrophobicContact CD2-SD 4Å; L493-N698 HydrophobicContact CB-CB 4.34Å; L493-N698 HydrophobicContact CD1-CB 4.12Å; L493-I701 HydrophobicContact CD1-CB 4.41Å; L493-I701 HydrophobicContact CD1-CG2 4.14Å; L493-I701 HydrophobicContact CD2-CD1 4.08Å; L493-I701 HydrophobicContact CD2-CG2 4.19Å; L493-L702 HydrophobicContact CD1-CD1 4.12Å; L493-L702 HydrophobicContact CD1-CD2 3.64Å; L493-L702 HydrophobicContact CD1-CG 3.59Å
494R97.3Very high96.5Very high8 Ų823.5 Ų23.53%0.0312%0.119CC..Hα-helixtrans-56-50.9-179.8170.2-175.3-56.6133.5-1.9111.7F402 I458 N489 N491 T492 F497 V498 F505F402-R494 VanDerWaalsContact CD1-NH1 3.34Å; I458-R494 VanDerWaalsContact CD1-CD 3.47Å; N489-R494 PolarHBondContact O-NH1 2.76Å; N489-R494 PolarHBondContact OD1-NH1 3.19Å; N489-R494 PolarHBondContact OD1-NH2 2.83Å; N489-R494 VanDerWaalsContact OD1-NH2 3.09Å; N491-R494 HydrophobicContact CB-CB 4.11Å; N491-R494 WeakPolarHBondContact O-CB 3.23Å; N491-R494 PolarHBondContact O-N 2.85Å; N491-R494 PolarHBondContact OD1-N 3.15Å; T492-R494 VanDerWaalsContact C-N 3.34Å; T492-R494 PolarHBondContact O-N 2.83Å; R494-F497 PolarHBondContact O-N 3.29Å; R494-V498 WeakPolarHBondContact O-CG2 3.39Å; R494-V498 PolarHBondContact O-N 2.82Å; R494-V498 VanDerWaalsContact O-N 3.07Å; R494-F505 HydrophobicContact CB-CD1 4.48Å; R494-F505 HydrophobicContact CB-CD2 3.91Å; R494-F505 HydrophobicContact CB-CE2 3.99Å; R494-F505 HydrophobicContact CB-CG 4.17Å; R494-F505 HydrophobicContact CB-CZ 4.34Å; R494-F505 HydrophobicContact CG-CB 3.79Å; R494-F505 HydrophobicContact CG-CD1 3.79Å; R494-F505 HydrophobicContact CG-CD2 3.76Å; R494-F505 HydrophobicContact CG-CE1 4.29Å; R494-F505 HydrophobicContact CG-CE2 4.25Å; R494-F505 HydrophobicContact CG-CG 3.51Å; R494-F505 HydrophobicContact CG-CZ 4.5Å
495L96.4Very high96.6Very high0 Ų020.1 Ų20.10%010%0.101CC..Hα-helixtrans-76.3-33.8-173.8-57.8171.9000111.1L403 I433 F438 I458 F490 N491 T492 L493 V498 K499L403-L495 HydrophobicContact CD2-CD2 3.8Å; I433-L495 HydrophobicContact CD1-CB 3.42Å; I433-L495 VanDerWaalsContact CD1-CB 3.42Å; I433-L495 HydrophobicContact CD1-CD1 4.28Å; I433-L495 HydrophobicContact CD1-CG 4.47Å; I433-L495 HydrophobicContact CG2-CB 3.8Å; I433-L495 HydrophobicContact CG2-CD1 3.72Å; I433-L495 HydrophobicContact CG2-CG 4.21Å; F438-L495 HydrophobicContact CD1-CD2 4.07Å; F438-L495 HydrophobicContact CE1-CB 4.38Å; F438-L495 HydrophobicContact CE1-CD2 4.12Å; F438-L495 HydrophobicContact CG-CD2 4.41Å; F438-L495 HydrophobicContact CZ-CB 4.37Å; I458-L495 HydrophobicContact CG2-CD2 4.49Å; F490-L495 HydrophobicContact CD2-CD1 3.74Å; F490-L495 HydrophobicContact CE2-CD1 3.29Å; F490-L495 HydrophobicContact CZ-CD1 3.77Å; N491-L495 PolarHBondContact O-N 3.23Å; T492-L495 PolarHBondContact O-N 3.25Å; L493-L495 PolarHBondContact O-N 3.05Å; L495-V498 PolarHBondContact O-N 2.79Å; L495-K499 WeakPolarHBondContact O-CB 3.39Å; L495-K499 PolarHBondContact O-N 2.88Å
496A96.9Very high96.6Very high0 Ų019.1 Ų19.10%010%0.095CC..Hα-helixtrans-61.5-42.2170.200000112.1L69 I72 T492 L493 G500 L702 W713L69-A496 HydrophobicContact CD2-CB 3.55Å; L69-A496 HydrophobicContact CG-CB 4.49Å; I72-A496 HydrophobicContact CD1-CB 3.81Å; T492-A496 WeakPolarHBondContact O-CB 3.45Å; T492-A496 PolarHBondContact O-N 3.09Å; L493-A496 PolarHBondContact O-N 3.09Å; A496-G500 WeakPolarHBondContact O-CA 3.35Å; A496-G500 PolarHBondContact O-N 3.06Å; A496-L702 HydrophobicContact CB-CD1 4.18Å; A496-W713 HydrophobicContact CB-CH2 4.25Å; A496-W713 VanDerWaalsContact O-CH2 3.3Å; A496-W713 WeakPolarHBondContact O-CH2 3.39Å
497F98Very high96.7Very high0 Ų018.2 Ų18.20%09%0.09CC..Hα-helixtrans-62-50.8175.4173.7-99000111.9P473 I475 L493 R494 K499 F501 V504 F505 L702 I705P473-F497 HydrophobicContact CB-CZ 4.12Å; P473-F497 HydrophobicContact CG-CZ 4.49Å; P473-F497 WeakPolarHBondContact O-CZ 3.41Å; I475-F497 HydrophobicContact CB-CE1 4.35Å; I475-F497 HydrophobicContact CD1-CB 4.22Å; I475-F497 HydrophobicContact CD1-CD1 3.87Å; I475-F497 HydrophobicContact CD1-CD2 3.55Å; I475-F497 HydrophobicContact CD1-CE1 4.11Å; I475-F497 HydrophobicContact CD1-CE2 3.85Å; I475-F497 HydrophobicContact CD1-CG 3.58Å; I475-F497 HydrophobicContact CD1-CZ 4.11Å; I475-F497 HydrophobicContact CG1-CD1 4.13Å; I475-F497 HydrophobicContact CG1-CD2 4.12Å; I475-F497 HydrophobicContact CG1-CE1 3.86Å; I475-F497 HydrophobicContact CG1-CE2 3.89Å; I475-F497 HydrophobicContact CG1-CG 4.26Å; I475-F497 HydrophobicContact CG1-CZ 3.75Å; L493-F497 VanDerWaalsContact O-CB 3.31Å; L493-F497 WeakPolarHBondContact O-CB 3.44Å; L493-F497 PolarHBondContact O-N 2.68Å; R494-F497 PolarHBondContact O-N 3.29Å; F497-K499 PolarHBondContact O-N 3.34Å; F497-F501 AromaticContact CD2-CD2 3.7Å; F497-F501 HydrophobicContact CD2-CD2 3.7Å; F497-F501 HydrophobicContact CD2-CE2 4.47Å; F497-F501 HydrophobicContact CE2-CB 4.47Å; F497-F501 AromaticContact CE2-CD2 4Å; F497-F501 HydrophobicContact CE2-CD2 4Å; F497-F501 WeakPolarHBondContact O-CB 3.1Å; F497-F501 PolarHBondContact O-N 3.2Å; F497-F501 VanDerWaalsContact O-N 3.09Å; F497-V504 WeakPolarHBondContact CE1-O 3.16Å; F497-F505 HydrophobicContact CD1-CD2 4.41Å; F497-L702 HydrophobicContact CB-CD2 3.92Å; F497-L702 HydrophobicContact CD2-CD2 4.08Å; F497-I705 HydrophobicContact CE2-CG2 4.02Å
498V97Very high96.7Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-61.3-45.1-178.9170.60000111F438 I458 R494 L495 E502 G503 F505F438-V498 HydrophobicContact CD1-CB 4.27Å; F438-V498 HydrophobicContact CD1-CG1 3.68Å; F438-V498 HydrophobicContact CE1-CB 3.98Å; F438-V498 HydrophobicContact CE1-CG1 3.7Å; I458-V498 HydrophobicContact CG2-CG2 4.45Å; I458-V498 WeakPolarHBondContact O-CG2 3.21Å; R494-V498 WeakPolarHBondContact O-CG2 3.39Å; R494-V498 PolarHBondContact O-N 2.82Å; R494-V498 VanDerWaalsContact O-N 3.07Å; L495-V498 PolarHBondContact O-N 2.79Å; V498-E502 CarbonylContact O-C 3.5Å; V498-E502 WeakPolarHBondContact O-CA 3.39Å; V498-E502 PolarHBondContact O-N 3Å; V498-G503 PolarHBondContact O-N 3.4Å; V498-G503 VanDerWaalsContact O-N 3.08Å; V498-F505 HydrophobicContact CG2-CB 3.87Å
499K95.3Very high96.8Very high37 Ų3717 Ų1716%0.1618%0.084CC..Hα-helixtrans-74.8-52.9-178.5-175.3154.7173.9178.20112.4Q432 E437 F438 L495 F497 F501 E502 F715Q432-K499 PolarHBondContact O-NZ 3.06Å; E437-K499 IonicContact OE1-NZ 3.55Å; E437-K499 PolarHBondContact OE1-NZ 3.42Å; E437-K499 WeakPolarHBondContact OE2-CD 3.03Å; E437-K499 VanDerWaalsContact OE2-CE 3.22Å; E437-K499 WeakPolarHBondContact OE2-CE 3.37Å; E437-K499 IonicContact OE2-NZ 3.76Å; E437-K499 PolarHBondContact OE2-NZ 2.92Å; F438-K499 HydrophobicContact CE1-CB 4.27Å; F438-K499 HydrophobicContact CZ-CB 4.07Å; F438-K499 HydrophobicContact CZ-CD 4.24Å; L495-K499 WeakPolarHBondContact O-CB 3.39Å; L495-K499 PolarHBondContact O-N 2.88Å; F497-K499 PolarHBondContact O-N 3.34Å; K499-F501 PolarHBondContact O-N 3.34Å; K499-E502 PolarHBondContact O-N 2.95Å; K499-F715 HydrophobicContact CB-CD2 4.16Å; K499-F715 HydrophobicContact CB-CE2 3.79Å; K499-F715 HydrophobicContact CB-CZ 4.16Å; K499-F715 HydrophobicContact CD-CD1 4.02Å; K499-F715 HydrophobicContact CD-CD2 4.41Å; K499-F715 HydrophobicContact CD-CE1 3.36Å; K499-F715 HydrophobicContact CD-CE2 3.89Å; K499-F715 HydrophobicContact CD-CZ 3.38Å; K499-F715 WeakPolarHBondContact CE-OXT 3.45Å; K499-F715 HydrophobicContact CG-CD1 4.14Å; K499-F715 HydrophobicContact CG-CD2 3.92Å; K499-F715 HydrophobicContact CG-CE1 3.9Å; K499-F715 HydrophobicContact CG-CE2 3.76Å; K499-F715 HydrophobicContact CG-CG 4.15Å; K499-F715 HydrophobicContact CG-CZ 3.8Å
500G96Very high96.9Very high2 Ų214 Ų142%0.0217%0.068CC..Hα-helixtrans-75.1-20-171.500000115.6A496 W713 G714A496-G500 WeakPolarHBondContact O-CA 3.35Å; A496-G500 PolarHBondContact O-N 3.06Å; G500-W713 VanDerWaalsContact CA-CZ3 3.49Å; G500-W713 WeakPolarHBondContact O-CA 3.36Å; G500-G714 CarbonylContact C-O 3.59Å; G500-G714 WeakPolarHBondContact CA-O 3.39Å; G500-G714 PolarHBondContact O-N 3.01Å
501F96.1Very high97.1Very high13 Ų1313 Ų136%0.0576%0.063CC..THydrogen-bonded Turntrans-1167.1174.7-68.6-51.5000113.9Y59 I65 P473 F497 K499 G503 L702 L711 K712 W713Y59-F501 HydrophobicContact CE1-CZ 4.33Å; Y59-F501 WeakPolarHBondContact OH-CE1 3.28Å; I65-F501 HydrophobicContact CD1-CZ 4.25Å; P473-F501 HydrophobicContact CG-CB 4.24Å; F497-F501 AromaticContact CD2-CD2 3.7Å; F497-F501 HydrophobicContact CD2-CD2 3.7Å; F497-F501 HydrophobicContact CD2-CE2 4.47Å; F497-F501 HydrophobicContact CE2-CB 4.47Å; F497-F501 AromaticContact CE2-CD2 4Å; F497-F501 HydrophobicContact CE2-CD2 4Å; F497-F501 WeakPolarHBondContact O-CB 3.1Å; F497-F501 PolarHBondContact O-N 3.2Å; F497-F501 VanDerWaalsContact O-N 3.09Å; K499-F501 PolarHBondContact O-N 3.34Å; F501-G503 PolarHBondContact O-N 3.42Å; F501-L702 HydrophobicContact CD2-CD2 4.35Å; F501-L702 HydrophobicContact CE2-CB 4.22Å; F501-L702 HydrophobicContact CE2-CD2 3.97Å; F501-L711 HydrophobicContact CB-CD1 4.23Å; F501-L711 HydrophobicContact CD1-CB 3.64Å; F501-L711 HydrophobicContact CD1-CD1 3.95Å; F501-L711 HydrophobicContact CD1-CG 4.43Å; F501-L711 HydrophobicContact CD2-CD1 4.3Å; F501-L711 HydrophobicContact CE1-CB 3.74Å; F501-L711 HydrophobicContact CE1-CD1 4.35Å; F501-L711 HydrophobicContact CG-CB 4.45Å; F501-L711 HydrophobicContact CG-CD1 3.93Å; F501-K712 WeakPolarHBondContact CD1-O 3.3Å; F501-W713 AromaticContact CD1-CE3 4Å; F501-W713 HydrophobicContact CD1-CE3 4Å; F501-W713 HydrophobicContact CD2-CE3 4.17Å; F501-W713 HydrophobicContact CD2-CZ3 4.09Å; F501-W713 HydrophobicContact CE1-CB 4.24Å; F501-W713 AromaticContact CE1-CE3 3.74Å; F501-W713 HydrophobicContact CE1-CE3 3.74Å; F501-W713 AromaticContact CE2-CE3 3.95Å; F501-W713 HydrophobicContact CE2-CE3 3.95Å; F501-W713 HydrophobicContact CE2-CZ3 4.01Å; F501-W713 HydrophobicContact CG-CE3 4.2Å; F501-W713 HydrophobicContact CG-CZ3 4.43Å; F501-W713 AromaticContact CZ-CE3 3.73Å; F501-W713 HydrophobicContact CZ-CE3 3.73Å; F501-W713 HydrophobicContact CZ-CZ3 4.26Å
502E94.4Very high97.2Very high121 Ų12110.4 Ų10.457%0.5655%0.049SC*.THydrogen-bonded Turntrans47.539.6-168.6-62.8-172.6126.300111.5V498 K499V498-E502 CarbonylContact O-C 3.5Å; V498-E502 WeakPolarHBondContact O-CA 3.39Å; V498-E502 PolarHBondContact O-N 3Å; K499-E502 PolarHBondContact O-N 2.95Å
503G96.3Very high97.3Very high1 Ų19.9 Ų9.91%0.015%0.046CC..  trans-88.5173.2-171.200000114.3P473 V498 F501P473-G503 CarbonylContact O-C 3.54Å; P473-G503 WeakPolarHBondContact O-CA 3.17Å; V498-G503 PolarHBondContact O-N 3.4Å; V498-G503 VanDerWaalsContact O-N 3.08Å; F501-G503 PolarHBondContact O-N 3.42Å
504V97.4Very high97.3Very high4 Ų410.1 Ų10.12%0.0245%0.049CC..EExtended strand (participates in β ladder)trans-114.5121.1173.3175.70000109.6I457 E459 A472 P473 A474 I475 F497 Y548I457-V504 HydrophobicContact CG2-CG1 3.49Å; I457-V504 VanDerWaalsContact CG2-CG1 3.49Å; E459-V504 HydrophobicContact CB-CG2 4.13Å; A472-V504 HydrophobicContact CB-CG2 3.91Å; P473-V504 PolarHBondContact O-N 3.23Å; A474-V504 CarbonylContact C-O 3.49Å; A474-V504 WeakPolarHBondContact CA-O 3.39Å; A474-V504 HydrophobicContact CB-CB 4.2Å; A474-V504 WeakPolarHBondContact CB-O 3.2Å; I475-V504 PolarHBondContact N-O 3.35Å; F497-V504 WeakPolarHBondContact CE1-O 3.16Å; V504-Y548 HydrophobicContact CG1-CD1 4.27Å; V504-Y548 HydrophobicContact CG2-CD1 4.29Å
505F98.5Very high97.3Very high5 Ų59.8 Ų9.82%0.0225%0.048CC..EExtended strand (participates in β ladder)trans-104.3127.2172.3-162.5-75000110.1I458 I475 Y477 R494 F497 V498 V507I458-F505 HydrophobicContact CB-CB 4.47Å; I458-F505 WeakPolarHBondContact CB-O 3.23Å; I458-F505 PolarHBondContact N-O 3.46Å; I458-F505 PolarHBondContact O-N 2.62Å; I475-F505 HydrophobicContact CB-CD2 3.75Å; I475-F505 HydrophobicContact CB-CE2 3.92Å; I475-F505 HydrophobicContact CB-CG 4.44Å; I475-F505 HydrophobicContact CD1-CD2 4.12Å; I475-F505 HydrophobicContact CD1-CE2 4.14Å; I475-F505 HydrophobicContact CG1-CD2 4.48Å; I475-F505 HydrophobicContact CG2-CD2 3.96Å; I475-F505 HydrophobicContact CG2-CE2 3.58Å; I475-F505 HydrophobicContact CG2-CZ 4.06Å; I475-F505 CarbonylContact O-C 3.55Å; I475-F505 WeakPolarHBondContact O-CA 3.17Å; Y477-F505 HydrophobicContact CD2-CZ 4.42Å; Y477-F505 HydrophobicContact CG-CE1 4.49Å; Y477-F505 HydrophobicContact CG-CZ 4.35Å; R494-F505 HydrophobicContact CB-CD1 4.48Å; R494-F505 HydrophobicContact CB-CD2 3.91Å; R494-F505 HydrophobicContact CB-CE2 3.99Å; R494-F505 HydrophobicContact CB-CG 4.17Å; R494-F505 HydrophobicContact CB-CZ 4.34Å; R494-F505 HydrophobicContact CG-CB 3.79Å; R494-F505 HydrophobicContact CG-CD1 3.79Å; R494-F505 HydrophobicContact CG-CD2 3.76Å; R494-F505 HydrophobicContact CG-CE1 4.29Å; R494-F505 HydrophobicContact CG-CE2 4.25Å; R494-F505 HydrophobicContact CG-CG 3.51Å; R494-F505 HydrophobicContact CG-CZ 4.5Å; F497-F505 HydrophobicContact CD1-CD2 4.41Å; V498-F505 HydrophobicContact CG2-CB 3.87Å; F505-V507 HydrophobicContact CD1-CG2 4.17Å; F505-V507 HydrophobicContact CE1-CG2 3.85Å
506A98.6Very high97.3Very high0 Ų012.9 Ų12.90%06%0.062CC..EExtended strand (participates in β ladder)trans-122.4146.518000000111.7L455 T456 I457 I475 L476 Y477 L543L455-A506 HydrophobicContact CD1-CB 3.89Å; T456-A506 CarbonylContact O-C 3.59Å; T456-A506 WeakPolarHBondContact O-CA 3.42Å; I457-A506 HydrophobicContact CG1-CB 4.45Å; I475-A506 PolarHBondContact O-N 3.07Å; L476-A506 HydrophobicContact CD1-CB 3.88Å; Y477-A506 PolarHBondContact N-O 3.41Å; A506-L543 HydrophobicContact CB-CD1 3.71Å; A506-L543 HydrophobicContact CB-CD2 3.98Å; A506-L543 HydrophobicContact CB-CG 4.38Å
507V98.7Very high97.2Very high2 Ų213.1 Ų13.11%0.0126%0.064CC..EExtended strand (participates in β ladder)trans-123.1117.8176.3-179.40000108.4F402 T456 M486 F505F402-V507 HydrophobicContact CE1-CG2 4.17Å; T456-V507 PolarHBondContact N-O 2.82Å; T456-V507 PolarHBondContact O-N 2.86Å; M486-V507 HydrophobicContact CB-CG1 3.84Å; F505-V507 HydrophobicContact CD1-CG2 4.17Å; F505-V507 HydrophobicContact CE1-CG2 3.85Å
508A98.7Very high97Very high0 Ų014.6 Ų14.60%07%0.074CC..EExtended strand (participates in β ladder)trans-95.6122.6176.600000111.2L455 L476 Y477 V510 F536 A539L455-A508 HydrophobicContact CD1-CB 4.15Å; L476-A508 HydrophobicContact CD1-CB 4Å; Y477-A508 PolarHBondContact O-N 3.45Å; A508-V510 VanDerWaalsContact C-N 3.28Å; A508-V510 HydrophobicContact CB-CG1 3.87Å; A508-V510 PolarHBondContact O-N 3.44Å; A508-F536 HydrophobicContact CB-CD2 4.01Å; A508-F536 HydrophobicContact CB-CE2 4.19Å; A508-A539 HydrophobicContact CB-CB 3.73Å
509N98.6Very high96.8Very high1 Ų120.4 Ų20.41%0.00510%0.1CC..  trans-89.563.7175.4-65.398.1000110.3T358 P454 M486 E515T358-N509 HydrophobicContact CG2-CB 4.23Å; T358-N509 VanDerWaalsContact CG2-CG 3.46Å; T358-N509 WeakPolarHBondContact CG2-OD1 3.47Å; P454-N509 HydrophobicContact CB-CB 4.03Å; P454-N509 HydrophobicContact CG-CB 4.16Å; P454-N509 PolarHBondContact O-N 2.88Å; M486-N509 WeakPolarHBondContact CB-ND2 3.14Å; M486-N509 PolarHBondContact O-ND2 2.98Å; N509-E515 HydrophobicContact CB-CG 3.97Å; N509-E515 PolarHBondContact ND2-OE1 2.82Å
510V98.8Very high96.8Very high1 Ų120.1 Ų20.11%0.00610%0.098CC..  trans-67163.1-177.4-59.40000112.6I453 G480 A508 W520 V532 D535 F536I453-V510 HydrophobicContact CG2-CG1 4.19Å; G480-V510 VanDerWaalsContact CA-CG2 3.45Å; A508-V510 VanDerWaalsContact C-N 3.28Å; A508-V510 HydrophobicContact CB-CG1 3.87Å; A508-V510 PolarHBondContact O-N 3.44Å; V510-W520 PolarHBondContact O-NE1 3.41Å; V510-V532 HydrophobicContact CB-CG1 4.46Å; V510-V532 HydrophobicContact CG2-CG1 3.76Å; V510-D535 HydrophobicContact CB-CB 3.69Å; V510-D535 HydrophobicContact CG1-CB 3.61Å; V510-F536 HydrophobicContact CG1-CB 4.09Å; V510-F536 HydrophobicContact CG1-CD2 4.05Å
511R98.8Very high96.8Very high8 Ų820.3 Ų20.33%0.0310%0.098CC..THydrogen-bonded Turntrans-58.8164.3171.9-73.9175.4-75.7-171.5-9.4112.4D449 G480 G513 W520 N531 V532 D535D449-R511 IonicContact OD1-CZ 3.41Å; D449-R511 IonicContact OD1-NH1 3.1Å; D449-R511 IonicContact OD1-NH2 3.58Å; D449-R511 PolarHBondContact OD1-NH2 2.79Å; D449-R511 IonicContact OD2-CZ 2.74Å; D449-R511 IonicContact OD2-NH1 2.81Å; D449-R511 PolarHBondContact OD2-NH1 2.8Å; D449-R511 IonicContact OD2-NH2 2.73Å; D449-R511 PolarHBondContact OD2-NH2 2.65Å; G480-R511 WeakPolarHBondContact CA-O 3.31Å; R511-G513 PolarHBondContact O-N 2.94Å; R511-W520 HydrophobicContact CG-CD2 3.68Å; R511-W520 HydrophobicContact CG-CE3 3.81Å; R511-W520 HydrophobicContact CG-CG 4.41Å; R511-W520 HydrophobicContact CG-CH2 3.78Å; R511-W520 HydrophobicContact CG-CZ2 3.62Å; R511-W520 HydrophobicContact CG-CZ3 3.87Å; R511-N531 PolarHBondContact NH1-ND2 2.96Å; R511-V532 WeakPolarHBondContact O-CG2 3.42Å; R511-D535 WeakPolarHBondContact CB-OD2 3.4Å; R511-D535 VanDerWaalsContact CG-OD2 3.25Å; R511-D535 WeakPolarHBondContact CG-OD2 3.44Å; R511-D535 IonicContact CZ-OD1 3.6Å; R511-D535 IonicContact CZ-OD2 3.53Å; R511-D535 PolarHBondContact N-OD2 2.61Å; R511-D535 IonicContact NE-OD1 3.94Å; R511-D535 PolarHBondContact NE-OD1 3.37Å; R511-D535 IonicContact NE-OD2 2.66Å; R511-D535 PolarHBondContact NE-OD2 3.17Å; R511-D535 IonicContact NH2-OD1 2.81Å; R511-D535 PolarHBondContact NH2-OD1 3.2Å; R511-D535 IonicContact NH2-OD2 3.49Å
512G98.1Very high96.8Very high0 Ų022.5 Ų22.50%011%0.11CC..THydrogen-bonded Turntrans86.1-22.6-16800000112.4G481 F482 G483 W520 H521G481-G512 CarbonylContact C-O 3.43Å; G481-G512 WeakPolarHBondContact CA-O 3.21Å; G481-G512 VanDerWaalsContact N-C 3.33Å; G481-G512 PolarHBondContact N-O 3.44Å; F482-G512 PolarHBondContact N-O 2.72Å; G483-G512 PolarHBondContact N-O 2.9Å; G512-W520 PolarHBondContact N-O 3.14Å; G512-H521 PolarHBondContact O-CD2 3.23Å
513G97.6Very high97Very high1 Ų118 Ų181%0.019%0.09CC..SBendtrans-75.3-176169.100000113.7I484 R511 E515 W520 H521I484-G513 WeakPolarHBondContact O-CA 3.41Å; R511-G513 PolarHBondContact O-N 2.94Å; G513-E515 VanDerWaalsContact C-OE2 3.31Å; G513-E515 WeakPolarHBondContact CA-OE2 3.28Å; G513-W520 CarbonylContact O-C 3.56Å; G513-H521 VanDerWaalsContact O-CA 3.28Å; G513-H521 WeakPolarHBondContact O-CA 3.23Å; G513-H521 WeakPolarHBondContact O-CB 3.5Å; G513-H521 PolarHBondContact O-N 2.91Å; G513-H521 VanDerWaalsContact O-N 3.13Å
514G96Very high97Very high8 Ų818 Ų188%0.0829%0.09CC..SBendtrans-1106.5-175.600000115.3G483 S485 F516 G517G483-G514 VanDerWaalsContact O-CA 3.22Å; G483-G514 WeakPolarHBondContact O-CA 3.41Å; G483-G514 PolarHBondContact O-N 2.58Å; S485-G514 VanDerWaalsContact OG-C 3.24Å; S485-G514 WeakPolarHBondContact OG-CA 3.49Å; G514-F516 PolarHBondContact O-N 2.93Å; G514-F516 VanDerWaalsContact O-N 3.17Å; G514-G517 PolarHBondContact O-N 2.95Å; G514-G517 VanDerWaalsContact O-N 3.15Å
515E97.2Very high97Very high2 Ų219.2 Ų19.21%0.00910%0.095CC..THydrogen-bonded Turntrans-57.8-34.7-169.2-72.385.4167.900113.4T358 S485 M486 N509 G513T358-E515 HydrophobicContact CG2-CG 4.39Å; S485-E515 WeakPolarHBondContact CA-OE1 3.36Å; S485-E515 PolarHBondContact OG-N 3.46Å; M486-E515 PolarHBondContact N-OE1 3.02Å; N509-E515 HydrophobicContact CB-CG 3.97Å; N509-E515 PolarHBondContact ND2-OE1 2.82Å; G513-E515 VanDerWaalsContact C-OE2 3.31Å; G513-E515 WeakPolarHBondContact CA-OE2 3.28Å
516F96.7Very high96.9Very high65 Ų6521.7 Ų21.729%0.28511%0.108SC..THydrogen-bonded Turntrans-11921.1-178.9-54.3-77.9000113.3K311 P454 G514 W520K311-F516 WeakPolarHBondContact CE-O 3.43Å; P454-F516 HydrophobicContact CG-CE2 3.59Å; P454-F516 HydrophobicContact CG-CZ 3.5Å; P454-F516 VanDerWaalsContact CG-CZ 3.5Å; G514-F516 PolarHBondContact O-N 2.93Å; G514-F516 VanDerWaalsContact O-N 3.17Å; F516-W520 HydrophobicContact CB-CB 3.97Å; F516-W520 HydrophobicContact CB-CD2 4.3Å; F516-W520 HydrophobicContact CB-CE3 4.38Å; F516-W520 HydrophobicContact CB-CG 4.14Å; F516-W520 AromaticContact CD2-CD2 3.6Å; F516-W520 HydrophobicContact CD2-CD2 3.6Å; F516-W520 AromaticContact CD2-CE2 3.7Å; F516-W520 AromaticContact CD2-CE3 3.9Å; F516-W520 HydrophobicContact CD2-CE3 3.9Å; F516-W520 AromaticContact CD2-CG 3.95Å; F516-W520 HydrophobicContact CD2-CG 3.95Å; F516-W520 HydrophobicContact CD2-CH2 4.34Å; F516-W520 HydrophobicContact CD2-CZ2 4.09Å; F516-W520 HydrophobicContact CD2-CZ3 4.26Å; F516-W520 HydrophobicContact CE2-CD2 4.46Å; F516-W520 HydrophobicContact CE2-CH2 4.42Å; F516-W520 HydrophobicContact CE2-CZ2 4.15Å; F516-W520 HydrophobicContact CG-CD2 4.41Å
517G94.9Very high96.8Very high4 Ų426.4 Ų26.44%0.04114%0.137CC..  trans93.5-173.9175.700000113.3P310 V338 G514 K519 W520 H521P310-G517 WeakPolarHBondContact O-CA 3.43Å; V338-G517 VanDerWaalsContact CG2-N 3.27Å; G514-G517 PolarHBondContact O-N 2.95Å; G514-G517 VanDerWaalsContact O-N 3.15Å; G517-K519 PolarHBondContact O-N 3.14Å; G517-W520 WeakPolarHBondContact O-CB 3.5Å; G517-W520 PolarHBondContact O-N 3.31Å; G517-H521 PolarHBondContact O-N 3.37Å
518S92.5Very high96.8Very high31 Ų3130.4 Ų30.422%0.21715%0.154CC..Hα-helixtrans-58.1-32.4-175.1520000113.5P310 W520 H521 D522P310-S518 WeakPolarHBondContact CA-OG 3.4Å; P310-S518 WeakPolarHBondContact CB-OG 3.4Å; P310-S518 PolarHBondContact O-N 2.91Å; P310-S518 PolarHBondContact O-OG 3.33Å; S518-W520 VanDerWaalsContact C-N 3.31Å; S518-W520 PolarHBondContact O-N 3.41Å; S518-H521 WeakPolarHBondContact O-CB 3.48Å; S518-H521 PolarHBondContact O-N 2.8Å; S518-D522 WeakPolarHBondContact O-CB 3.44Å; S518-D522 VanDerWaalsContact O-CG 3.28Å; S518-D522 PolarHBondContact O-N 2.89Å
519K93Very high96.8Very high123 Ų12330.5 Ų30.554%0.53515%0.154SC..Hα-helixtrans-60.3-39.1174.1177.5166.3171.645.30112.9G517 H521 D522 D523G517-K519 PolarHBondContact O-N 3.14Å; K519-H521 VanDerWaalsContact C-N 3.3Å; K519-D522 PolarHBondContact O-N 3.28Å; K519-D523 IonicContact NZ-OD1 2.61Å; K519-D523 IonicContact NZ-OD2 3Å; K519-D523 PolarHBondContact NZ-OD2 2.99Å; K519-D523 WeakPolarHBondContact O-CB 3.46Å; K519-D523 VanDerWaalsContact O-CG 3.32Å; K519-D523 PolarHBondContact O-N 2.97Å
520W96.3Very high96.8Very high31 Ų3132.7 Ų32.712%0.11717%0.165CC..Hα-helixtrans-66.7-35.9178.2-165.2-109.2000111.9I453 V510 R511 G512 G513 F516 G517 S518I453-W520 HydrophobicContact CD1-CH2 3.75Å; I453-W520 HydrophobicContact CD1-CZ2 3.93Å; V510-W520 PolarHBondContact O-NE1 3.41Å; R511-W520 HydrophobicContact CG-CD2 3.68Å; R511-W520 HydrophobicContact CG-CE3 3.81Å; R511-W520 HydrophobicContact CG-CG 4.41Å; R511-W520 HydrophobicContact CG-CH2 3.78Å; R511-W520 HydrophobicContact CG-CZ2 3.62Å; R511-W520 HydrophobicContact CG-CZ3 3.87Å; G512-W520 PolarHBondContact N-O 3.14Å; G513-W520 CarbonylContact O-C 3.56Å; F516-W520 HydrophobicContact CB-CB 3.97Å; F516-W520 HydrophobicContact CB-CD2 4.3Å; F516-W520 HydrophobicContact CB-CE3 4.38Å; F516-W520 HydrophobicContact CB-CG 4.14Å; F516-W520 AromaticContact CD2-CD2 3.6Å; F516-W520 HydrophobicContact CD2-CD2 3.6Å; F516-W520 AromaticContact CD2-CE2 3.7Å; F516-W520 AromaticContact CD2-CE3 3.9Å; F516-W520 HydrophobicContact CD2-CE3 3.9Å; F516-W520 AromaticContact CD2-CG 3.95Å; F516-W520 HydrophobicContact CD2-CG 3.95Å; F516-W520 HydrophobicContact CD2-CH2 4.34Å; F516-W520 HydrophobicContact CD2-CZ2 4.09Å; F516-W520 HydrophobicContact CD2-CZ3 4.26Å; F516-W520 HydrophobicContact CE2-CD2 4.46Å; F516-W520 HydrophobicContact CE2-CH2 4.42Å; F516-W520 HydrophobicContact CE2-CZ2 4.15Å; F516-W520 HydrophobicContact CG-CD2 4.41Å; G517-W520 WeakPolarHBondContact O-CB 3.5Å; G517-W520 PolarHBondContact O-N 3.31Å; S518-W520 VanDerWaalsContact C-N 3.31Å; S518-W520 PolarHBondContact O-N 3.41Å
521H96.5Very high96.8Very high5 Ų533.6 Ų33.62%0.02317%0.169CC..Hα-helixtrans-66.4-52.2172.7176.5-155.5000111.1G483 G512 G513 G517 S518 K519 D523 G524 K525 E604G483-H521 PolarHBondContact N-CD2 3.5Å; G483-H521 VanDerWaalsContact N-CD2 3.32Å; G483-H521 PolarHBondContact N-NE2 3.08Å; G512-H521 PolarHBondContact O-CD2 3.23Å; G513-H521 VanDerWaalsContact O-CA 3.28Å; G513-H521 WeakPolarHBondContact O-CA 3.23Å; G513-H521 WeakPolarHBondContact O-CB 3.5Å; G513-H521 PolarHBondContact O-N 2.91Å; G513-H521 VanDerWaalsContact O-N 3.13Å; G517-H521 PolarHBondContact O-N 3.37Å; S518-H521 WeakPolarHBondContact O-CB 3.48Å; S518-H521 PolarHBondContact O-N 2.8Å; K519-H521 VanDerWaalsContact C-N 3.3Å; H521-D523 PolarHBondContact O-N 2.86Å; H521-G524 CarbonylContact O-C 3.56Å; H521-G524 PolarHBondContact O-N 2.97Å; H521-K525 PolarHBondContact O-N 2.96Å; H521-E604 IonicContact CD2-OE2 3.86Å; H521-E604 IonicContact CE1-OE2 3.58Å; H521-E604 IonicContact NE2-OE2 2.78Å; H521-E604 PolarHBondContact NE2-OE2 2.85Å
522D95.5Very high96.8Very high60 Ų6033.3 Ų33.332%0.32117%0.168SC..Hα-helixtrans-60.7-30.9-179.1-70.6-24.9000112.7S518 K519 G524 K525S518-D522 WeakPolarHBondContact O-CB 3.44Å; S518-D522 VanDerWaalsContact O-CG 3.28Å; S518-D522 PolarHBondContact O-N 2.89Å; K519-D522 PolarHBondContact O-N 3.28Å; D522-G524 PolarHBondContact O-N 3.42Å; D522-K525 WeakPolarHBondContact OD1-CE 3.32Å; D522-K525 IonicContact OD1-NZ 3.71Å; D522-K525 PolarHBondContact OD1-NZ 3.17Å
523D97.6Very high96.8Very high26 Ų2633.4 Ų33.414%0.13917%0.169CC..THydrogen-bonded Turntrans-77.91.1177.4-72.7-26.6000114.4K519 H521 K528 N531K519-D523 IonicContact NZ-OD1 2.61Å; K519-D523 IonicContact NZ-OD2 3Å; K519-D523 PolarHBondContact NZ-OD2 2.99Å; K519-D523 WeakPolarHBondContact O-CB 3.46Å; K519-D523 VanDerWaalsContact O-CG 3.32Å; K519-D523 PolarHBondContact O-N 2.97Å; H521-D523 PolarHBondContact O-N 2.86Å; D523-K528 IonicContact OD1-NZ 3.81Å; D523-K528 PolarHBondContact OD1-NZ 3.42Å; D523-N531 WeakPolarHBondContact O-CB 2.83Å; D523-N531 PolarHBondContact O-ND2 2.94Å
524G98.2Very high96.9Very high0 Ų035.9 Ų35.90%018%0.18CC..THydrogen-bonded Turntrans-135.625.6176.700000114.8H521 D522 K529 V532H521-G524 CarbonylContact O-C 3.56Å; H521-G524 PolarHBondContact O-N 2.97Å; D522-G524 PolarHBondContact O-N 3.42Å; G524-K529 WeakPolarHBondContact O-CD 3.41Å; G524-V532 WeakPolarHBondContact O-CG2 3.44Å
525K96.9Very high97Very high31 Ų3135.5 Ų35.514%0.13518%0.176CC..SBendtrans-128.8168.9175.877.1177.9-174.1-164.50112.5H521 D522 T527 K528 K529 E604H521-K525 PolarHBondContact O-N 2.96Å; D522-K525 WeakPolarHBondContact OD1-CE 3.32Å; D522-K525 IonicContact OD1-NZ 3.71Å; D522-K525 PolarHBondContact OD1-NZ 3.17Å; K525-T527 PolarHBondContact O-N 3.11Å; K525-K528 WeakPolarHBondContact O-CA 3.12Å; K525-K528 WeakPolarHBondContact O-CB 3.22Å; K525-K528 PolarHBondContact O-N 3.13Å; K525-K529 PolarHBondContact O-N 3.21Å; K525-E604 WeakPolarHBondContact CB-O 3.33Å
526L96.7Very high97.1Very high57 Ų5735.4 Ų35.430%0.29818%0.176SC..G310 helixtrans48.9-128.2179.6-57.2175.9000111.3K528 K529 E604 N616L526-K528 PolarHBondContact O-N 2.86Å; L526-K529 VanDerWaalsContact O-CB 3.24Å; L526-K529 WeakPolarHBondContact O-CB 3.3Å; L526-K529 PolarHBondContact O-N 3.42Å; L526-E604 PolarHBondContact N-O 3.23Å; L526-N616 PolarHBondContact O-ND2 2.79Å
527T96.9Very high97.2Very high98 Ų9832.8 Ų32.860%0.60117%0.165SC*.G310 helixtrans-62.3-11.517955.70000114.6K525K525-T527 PolarHBondContact O-N 3.11Å
528K97.7Very high97.4Very high87 Ų8733.3 Ų33.338%0.37817%0.169SC..G310 helixtrans-101.25.3174.4-63.6-179.3-177.2168.50113.2D523 K525 L526 Q530 N531D523-K528 IonicContact OD1-NZ 3.81Å; D523-K528 PolarHBondContact OD1-NZ 3.42Å; K525-K528 WeakPolarHBondContact O-CA 3.12Å; K525-K528 WeakPolarHBondContact O-CB 3.22Å; K525-K528 PolarHBondContact O-N 3.13Å; L526-K528 PolarHBondContact O-N 2.86Å; K528-Q530 PolarHBondContact O-N 2.92Å; K528-Q530 VanDerWaalsContact O-N 3.08Å; K528-N531 VanDerWaalsContact O-CB 3.25Å; K528-N531 WeakPolarHBondContact O-CB 3.39Å; K528-N531 PolarHBondContact O-N 2.84Å
529K98.4Very high97.7Very high1 Ų131.9 Ų31.90%0.00416%0.158CC..THydrogen-bonded Turntrans-57.1-29.8-176.6-166.258.6165.3-173.70113.1G480 G524 K525 L526 N531 V532 F533 N561 E604 Y620G480-K529 PolarHBondContact O-NZ 3.43Å; G524-K529 WeakPolarHBondContact O-CD 3.41Å; K525-K529 PolarHBondContact O-N 3.21Å; L526-K529 VanDerWaalsContact O-CB 3.24Å; L526-K529 WeakPolarHBondContact O-CB 3.3Å; L526-K529 PolarHBondContact O-N 3.42Å; K529-N531 PolarHBondContact O-N 3.23Å; K529-V532 HydrophobicContact CD-CG2 3.94Å; K529-V532 WeakPolarHBondContact O-CB 3.37Å; K529-V532 WeakPolarHBondContact O-CG2 3.45Å; K529-V532 PolarHBondContact O-N 2.97Å; K529-F533 HydrophobicContact CG-CE2 4.25Å; K529-F533 HydrophobicContact CG-CZ 3.98Å; K529-N561 PolarHBondContact NZ-OD1 2.69Å; K529-E604 IonicContact NZ-OE1 3.74Å; K529-E604 PolarHBondContact NZ-OE1 3.1Å; K529-Y620 HydrophobicContact CB-CE1 4.16Å; K529-Y620 HydrophobicContact CG-CE1 4.23Å; K529-Y620 HydrophobicContact CG-CE2 4.43Å
530Q98.4Very high97.9Very high48 Ų4826 Ų2622%0.22413%0.133CC..Hα-helixtrans-58.7-27.8175.4-172.66138.300113.6K528 V532 F533 H534K528-Q530 PolarHBondContact O-N 2.92Å; K528-Q530 VanDerWaalsContact O-N 3.08Å; Q530-V532 PolarHBondContact O-N 3.08Å; Q530-F533 PolarHBondContact O-N 3.33Å; Q530-H534 WeakPolarHBondContact CG-NE2 3.24Å; Q530-H534 PolarHBondContact NE2-CD2 3.03Å; Q530-H534 PolarHBondContact NE2-NE2 3.01Å; Q530-H534 PolarHBondContact O-CD2 2.87Å; Q530-H534 VanDerWaalsContact O-CD2 3.26Å; Q530-H534 PolarHBondContact O-N 3.33Å; Q530-H534 VanDerWaalsContact O-N 3.11Å
531N98.8Very high98Very high20 Ų2030.3 Ų30.311%0.10715%0.149CC..Hα-helixtrans-59.5-34.9174.8-73-20.3000112.3W448 R511 D523 K528 K529 F533 H534 D535W448-N531 PolarHBondContact NE1-OD1 2.79Å; W448-N531 VanDerWaalsContact NE1-OD1 3.08Å; R511-N531 PolarHBondContact NH1-ND2 2.96Å; D523-N531 WeakPolarHBondContact O-CB 2.83Å; D523-N531 PolarHBondContact O-ND2 2.94Å; K528-N531 VanDerWaalsContact O-CB 3.25Å; K528-N531 WeakPolarHBondContact O-CB 3.39Å; K528-N531 PolarHBondContact O-N 2.84Å; K529-N531 PolarHBondContact O-N 3.23Å; N531-F533 VanDerWaalsContact C-N 3.32Å; N531-F533 PolarHBondContact O-N 2.78Å; N531-H534 PolarHBondContact O-N 3.36Å; N531-D535 WeakPolarHBondContact O-CB 3.37Å; N531-D535 PolarHBondContact O-N 2.69Å
532V98.9Very high98.1Very high1 Ų130.8 Ų30.81%0.00615%0.153CC..Hα-helixtrans-61.2-44179.1-174.70000110.7G480 V510 R511 G524 K529 Q530 D535 F536 L565G480-V532 WeakPolarHBondContact O-CG1 3.31Å; V510-V532 HydrophobicContact CB-CG1 4.46Å; V510-V532 HydrophobicContact CG2-CG1 3.76Å; R511-V532 WeakPolarHBondContact O-CG2 3.42Å; G524-V532 WeakPolarHBondContact O-CG2 3.44Å; K529-V532 HydrophobicContact CD-CG2 3.94Å; K529-V532 WeakPolarHBondContact O-CB 3.37Å; K529-V532 WeakPolarHBondContact O-CG2 3.45Å; K529-V532 PolarHBondContact O-N 2.97Å; Q530-V532 PolarHBondContact O-N 3.08Å; V532-D535 PolarHBondContact O-N 2.83Å; V532-F536 WeakPolarHBondContact O-CB 3.37Å; V532-F536 PolarHBondContact O-N 2.84Å; V532-F536 VanDerWaalsContact O-N 3.08Å; V532-L565 HydrophobicContact CG1-CD1 3.95Å
533F98.8Very high98.1Very high2 Ų227.9 Ų27.91%0.00914%0.137CC..Hα-helixtrans-69.7-36.9179-43.4-51.8000111.1K529 Q530 N531 F536 L537 L565 T568 Y620K529-F533 HydrophobicContact CG-CE2 4.25Å; K529-F533 HydrophobicContact CG-CZ 3.98Å; Q530-F533 PolarHBondContact O-N 3.33Å; N531-F533 VanDerWaalsContact C-N 3.32Å; N531-F533 PolarHBondContact O-N 2.78Å; F533-F536 PolarHBondContact O-N 2.87Å; F533-L537 WeakPolarHBondContact O-CB 3.48Å; F533-L537 PolarHBondContact O-N 2.9Å; F533-L565 HydrophobicContact CD1-CD1 3.63Å; F533-L565 HydrophobicContact CE1-CD1 4.27Å; F533-T568 HydrophobicContact CD1-CG2 3.9Å; F533-T568 HydrophobicContact CD2-CG2 3.7Å; F533-T568 HydrophobicContact CE1-CG2 3.94Å; F533-T568 HydrophobicContact CE2-CG2 3.75Å; F533-T568 HydrophobicContact CG-CG2 3.81Å; F533-T568 HydrophobicContact CZ-CG2 3.87Å; F533-Y620 HydrophobicContact CE2-CD1 4.28Å; F533-Y620 AromaticContact CE2-CD2 3.87Å; F533-Y620 HydrophobicContact CE2-CD2 3.87Å; F533-Y620 AromaticContact CE2-CG 3.7Å; F533-Y620 HydrophobicContact CE2-CG 3.7Å; F533-Y620 AromaticContact CZ-CD2 3.69Å; F533-Y620 HydrophobicContact CZ-CD2 3.69Å; F533-Y620 HydrophobicContact CZ-CE2 4.15Å; F533-Y620 HydrophobicContact CZ-CG 4.04Å
534H98.8Very high98Very high53 Ų5327.4 Ų27.425%0.24514%0.136CC..Hα-helixtrans-65.8-42.3175.4-72.4-155.2000112.2W448 Q530 N531 F536 L537 A538W448-H534 HydrophobicContact CB-CB 4.44Å; W448-H534 AromaticContact CD1-CG 3.55Å; W448-H534 AromaticContact CD1-ND1 3.05Å; W448-H534 AromaticContact CD2-ND1 3.52Å; W448-H534 AromaticContact CE2-ND1 3.63Å; W448-H534 HydrophobicContact CG-CB 4.03Å; W448-H534 AromaticContact CG-CG 3.96Å; W448-H534 AromaticContact CG-ND1 3.11Å; W448-H534 AromaticContact NE1-CG 3.92Å; W448-H534 AromaticContact NE1-ND1 3.29Å; W448-H534 PolarHBondContact NE1-ND1 3.24Å; Q530-H534 WeakPolarHBondContact CG-NE2 3.24Å; Q530-H534 PolarHBondContact NE2-CD2 3.03Å; Q530-H534 PolarHBondContact NE2-NE2 3.01Å; Q530-H534 PolarHBondContact O-CD2 2.87Å; Q530-H534 VanDerWaalsContact O-CD2 3.26Å; Q530-H534 PolarHBondContact O-N 3.33Å; Q530-H534 VanDerWaalsContact O-N 3.11Å; N531-H534 PolarHBondContact O-N 3.36Å; H534-F536 VanDerWaalsContact C-N 3.31Å; H534-F536 PolarHBondContact O-N 3.32Å; H534-L537 PolarHBondContact O-N 2.88Å; H534-A538 WeakPolarHBondContact O-CB 3.39Å; H534-A538 PolarHBondContact O-N 2.78Å
535D98.9Very high97.8Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-62.3-41.3177-68-7.5000111.2S447 I453 V510 R511 N531 V532 A538 A539S447-D535 WeakPolarHBondContact CB-OD1 3.34Å; S447-D535 PolarHBondContact OG-OD1 2.61Å; I453-D535 HydrophobicContact CD1-CB 3.84Å; I453-D535 WeakPolarHBondContact CD1-OD2 3.49Å; I453-D535 HydrophobicContact CG1-CB 3.9Å; I453-D535 HydrophobicContact CG2-CB 4.43Å; V510-D535 HydrophobicContact CB-CB 3.69Å; V510-D535 HydrophobicContact CG1-CB 3.61Å; R511-D535 WeakPolarHBondContact CB-OD2 3.4Å; R511-D535 VanDerWaalsContact CG-OD2 3.25Å; R511-D535 WeakPolarHBondContact CG-OD2 3.44Å; R511-D535 IonicContact CZ-OD1 3.6Å; R511-D535 IonicContact CZ-OD2 3.53Å; R511-D535 PolarHBondContact N-OD2 2.61Å; R511-D535 IonicContact NE-OD1 3.94Å; R511-D535 PolarHBondContact NE-OD1 3.37Å; R511-D535 IonicContact NE-OD2 2.66Å; R511-D535 PolarHBondContact NE-OD2 3.17Å; R511-D535 IonicContact NH2-OD1 2.81Å; R511-D535 PolarHBondContact NH2-OD1 3.2Å; R511-D535 IonicContact NH2-OD2 3.49Å; N531-D535 WeakPolarHBondContact O-CB 3.37Å; N531-D535 PolarHBondContact O-N 2.69Å; V532-D535 PolarHBondContact O-N 2.83Å; D535-A538 WeakPolarHBondContact O-CB 3.22Å; D535-A538 PolarHBondContact O-N 2.92Å; D535-A539 PolarHBondContact O-N 2.9Å
536F98.9Very high97.6Very high0 Ų036.3 Ų36.30%018%0.182CC..Hα-helixtrans-68.9-40.2179.3-160.7-112.5000112.2L476 A508 V510 V532 F533 H534 A538 A539 A540 I556 L565 V566L476-F536 HydrophobicContact CB-CZ 4.43Å; L476-F536 HydrophobicContact CD1-CE2 4.32Å; L476-F536 HydrophobicContact CD2-CD1 4.45Å; L476-F536 HydrophobicContact CD2-CD2 4.3Å; L476-F536 HydrophobicContact CD2-CE1 4.12Å; L476-F536 HydrophobicContact CD2-CE2 3.94Å; L476-F536 HydrophobicContact CD2-CZ 3.87Å; L476-F536 HydrophobicContact CG-CD2 4.46Å; L476-F536 HydrophobicContact CG-CE1 4.36Å; L476-F536 HydrophobicContact CG-CE2 3.69Å; L476-F536 HydrophobicContact CG-CZ 3.65Å; A508-F536 HydrophobicContact CB-CD2 4.01Å; A508-F536 HydrophobicContact CB-CE2 4.19Å; V510-F536 HydrophobicContact CG1-CB 4.09Å; V510-F536 HydrophobicContact CG1-CD2 4.05Å; V532-F536 WeakPolarHBondContact O-CB 3.37Å; V532-F536 PolarHBondContact O-N 2.84Å; V532-F536 VanDerWaalsContact O-N 3.08Å; F533-F536 PolarHBondContact O-N 2.87Å; H534-F536 VanDerWaalsContact C-N 3.31Å; H534-F536 PolarHBondContact O-N 3.32Å; F536-A538 VanDerWaalsContact C-N 3.32Å; F536-A538 PolarHBondContact O-N 3.01Å; F536-A539 PolarHBondContact O-N 3.32Å; F536-A540 PolarHBondContact O-N 3.12Å; F536-I556 HydrophobicContact CE1-CB 3.87Å; F536-I556 HydrophobicContact CE1-CG2 3.65Å; F536-I556 HydrophobicContact CZ-CB 4.34Å; F536-I556 HydrophobicContact CZ-CG2 4.22Å; F536-L565 HydrophobicContact CB-CD1 3.75Å; F536-L565 HydrophobicContact CB-CD2 4.49Å; F536-L565 HydrophobicContact CB-CG 4.47Å; F536-L565 HydrophobicContact CD1-CD1 4.12Å; F536-L565 HydrophobicContact CD1-CD2 4.35Å; F536-L565 HydrophobicContact CD1-CG 4.12Å; F536-L565 HydrophobicContact CD2-CD2 3.82Å; F536-L565 HydrophobicContact CD2-CG 4.43Å; F536-L565 HydrophobicContact CE1-CG 4.44Å; F536-L565 HydrophobicContact CE2-CD2 4.05Å; F536-L565 HydrophobicContact CG-CD1 3.9Å; F536-L565 HydrophobicContact CG-CD2 3.97Å; F536-L565 HydrophobicContact CG-CG 4.09Å; F536-L565 HydrophobicContact CZ-CD2 4.39Å; F536-V566 HydrophobicContact CE1-CG1 4.04Å; F536-V566 HydrophobicContact CZ-CG1 4.27Å
537L98.7Very high97.4Very high11 Ų1134.5 Ų34.56%0.05818%0.177CC..Hα-helixtrans-62.5-38.8171.2-177.968000112F533 H534 A540 R541 H573 M576 F577F533-L537 WeakPolarHBondContact O-CB 3.48Å; F533-L537 PolarHBondContact O-N 2.9Å; H534-L537 PolarHBondContact O-N 2.88Å; L537-A540 WeakPolarHBondContact O-CB 3.27Å; L537-A540 PolarHBondContact O-N 3.19Å; L537-R541 WeakPolarHBondContact O-CG 3.44Å; L537-R541 PolarHBondContact O-N 2.99Å; L537-H573 HydrophobicContact CD1-CB 4.12Å; L537-H573 WeakPolarHBondContact CD2-NE2 3.27Å; L537-M576 HydrophobicContact CD1-CB 4.32Å; L537-M576 HydrophobicContact CD1-CG 3.9Å; L537-F577 HydrophobicContact CD1-CZ 4.31Å
538A98.7Very high97.3Very high15 Ų1530 Ų3012%0.12415%0.149CC..Hα-helixtrans-62.9-43175.900000111.4H534 D535 F536 R541 C542H534-A538 WeakPolarHBondContact O-CB 3.39Å; H534-A538 PolarHBondContact O-N 2.78Å; D535-A538 WeakPolarHBondContact O-CB 3.22Å; D535-A538 PolarHBondContact O-N 2.92Å; F536-A538 VanDerWaalsContact C-N 3.32Å; F536-A538 PolarHBondContact O-N 3.01Å; A538-R541 PolarHBondContact O-N 2.88Å; A538-C542 WeakPolarHBondContact O-CB 3.19Å; A538-C542 PolarHBondContact O-N 2.84Å
539A98.7Very high97.2Very high0 Ų025.8 Ų25.80%013%0.131CC..Hα-helixtrans-61.4-43173.100000112.4L455 L476 A508 D535 F536 C542 L543L455-A539 HydrophobicContact CD1-CB 4.1Å; L476-A539 HydrophobicContact CD1-CB 4.28Å; L476-A539 HydrophobicContact CD2-CB 4.16Å; A508-A539 HydrophobicContact CB-CB 3.73Å; D535-A539 PolarHBondContact O-N 2.9Å; F536-A539 PolarHBondContact O-N 3.32Å; A539-C542 WeakPolarHBondContact O-CB 3.12Å; A539-C542 PolarHBondContact O-N 3.28Å; A539-L543 PolarHBondContact O-N 3.38Å; A539-L543 VanDerWaalsContact O-N 3.08Å
540A98.7Very high97.1Very high0 Ų026.6 Ų26.60%014%0.137CC..Hα-helixtrans-59.1-48.5174.900000112.1L476 F536 L537 C542 L543 C544 L554 F577L476-A540 HydrophobicContact CD2-CB 3.78Å; F536-A540 PolarHBondContact O-N 3.12Å; L537-A540 WeakPolarHBondContact O-CB 3.27Å; L537-A540 PolarHBondContact O-N 3.19Å; A540-C542 VanDerWaalsContact C-N 3.32Å; A540-C542 PolarHBondContact O-N 2.87Å; A540-L543 PolarHBondContact O-N 3.47Å; A540-C544 PolarHBondContact O-N 2.86Å; A540-C544 PolarHBondContact O-SG 3.33Å; A540-L554 HydrophobicContact CB-CD2 3.74Å; A540-F577 HydrophobicContact CB-CE1 3.89Å
541R97.9Very high97Very high121 Ų12125.9 Ų25.946%0.45714%0.136SC..Hα-helixtrans-63.2-38.6177-73.2177.3176.71751.3112.4L537 A538 C544 N545 M576L537-R541 WeakPolarHBondContact O-CG 3.44Å; L537-R541 PolarHBondContact O-N 2.99Å; A538-R541 PolarHBondContact O-N 2.88Å; R541-C544 PolarHBondContact O-N 3.09Å; R541-N545 VanDerWaalsContact O-CB 3.27Å; R541-N545 WeakPolarHBondContact O-CB 3.42Å; R541-N545 PolarHBondContact O-N 3.43Å; R541-N545 PolarHBondContact O-ND2 3.23Å; R541-M576 HydrophobicContact CG-CE 3.83Å
542C97.3Very high96.9Very high15 Ų1531 Ų3110%0.10116%0.16CC..Hα-helixtrans-58.8-46.9177.1-168.30000111.3C445 L455 A538 A539 A540 C544 N545 Q546C445-C542 HydrophobicContact CB-CB 3.53Å; C445-C542 WeakPolarHBondContact CB-SG 3.31Å; C445-C542 WeakPolarHBondContact SG-CB 3.25Å; C445-C542 CovalentContact SG-SG 2.05Å; C445-C542 PolarHBondContact SG-SG 3.3Å; L455-C542 HydrophobicContact CD2-CB 4.48Å; A538-C542 WeakPolarHBondContact O-CB 3.19Å; A538-C542 PolarHBondContact O-N 2.84Å; A539-C542 WeakPolarHBondContact O-CB 3.12Å; A539-C542 PolarHBondContact O-N 3.28Å; A540-C542 VanDerWaalsContact C-N 3.32Å; A540-C542 PolarHBondContact O-N 2.87Å; C542-C544 PolarHBondContact O-N 3Å; C542-N545 PolarHBondContact O-N 3.46Å; C542-Q546 WeakPolarHBondContact O-CB 3.43Å; C542-Q546 WeakPolarHBondContact O-CG 3.44Å; C542-Q546 PolarHBondContact O-N 2.9Å; C542-Q546 VanDerWaalsContact O-N 3.1Å
543L96.5Very high96.8Very high0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-58.3-46.5174.5-72.8171.8000112.3L455 I457 L476 A506 A539 A540 G547 Y548 T549 L554L455-L543 HydrophobicContact CD2-CD2 3.84Å; L455-L543 HydrophobicContact CD2-CG 3.87Å; I457-L543 HydrophobicContact CD1-CD2 3.74Å; I457-L543 HydrophobicContact CG1-CD2 4.06Å; L476-L543 HydrophobicContact CB-CD1 4.16Å; L476-L543 HydrophobicContact CD1-CD1 4.08Å; A506-L543 HydrophobicContact CB-CD1 3.71Å; A506-L543 HydrophobicContact CB-CD2 3.98Å; A506-L543 HydrophobicContact CB-CG 4.38Å; A539-L543 PolarHBondContact O-N 3.38Å; A539-L543 VanDerWaalsContact O-N 3.08Å; A540-L543 PolarHBondContact O-N 3.47Å; L543-G547 PolarHBondContact O-N 2.87Å; L543-Y548 HydrophobicContact CD2-CD2 4.02Å; L543-Y548 HydrophobicContact CD2-CG 4.25Å; L543-Y548 WeakPolarHBondContact O-CB 3.35Å; L543-Y548 PolarHBondContact O-N 2.87Å; L543-Y548 VanDerWaalsContact O-N 3.12Å; L543-T549 HydrophobicContact CB-CG2 4.08Å; L543-L554 HydrophobicContact CD1-CD1 4.4Å
544C95.8Very high96.8Very high15 Ų1534.7 Ų34.710%0.10118%0.175CC..Hα-helixtrans-66.6-47.6-179.4-63.70000112.3A540 R541 C542 Q546 G547 T549A540-C544 PolarHBondContact O-N 2.86Å; A540-C544 PolarHBondContact O-SG 3.33Å; R541-C544 PolarHBondContact O-N 3.09Å; C542-C544 PolarHBondContact O-N 3Å; C544-Q546 PolarHBondContact O-N 2.66Å; C544-G547 PolarHBondContact O-N 2.89Å; C544-T549 WeakPolarHBondContact CA-O 3.14Å
545N94.5Very high96.8Very high140 Ų14032.1 Ų32.175%0.74916%0.164SC*.Hα-helixtrans-65.5-29.1-176.8-70.2-12.2000112.6R541 C542 G547R541-N545 VanDerWaalsContact O-CB 3.27Å; R541-N545 WeakPolarHBondContact O-CB 3.42Å; R541-N545 PolarHBondContact O-N 3.43Å; R541-N545 PolarHBondContact O-ND2 3.23Å; C542-N545 PolarHBondContact O-N 3.46Å; N545-G547 VanDerWaalsContact C-N 3.27Å
546Q92.2Very high96.8Very high78 Ų7832.1 Ų32.136%0.36416%0.164SC..THydrogen-bonded Turntrans-87.56.9175.5-66.8-167.231.400114.1R469 C542 C544 Y548R469-Q546 WeakPolarHBondContact CD-O 3.09Å; R469-Q546 PolarHBondContact NH1-O 3.02Å; C542-Q546 WeakPolarHBondContact O-CB 3.43Å; C542-Q546 WeakPolarHBondContact O-CG 3.44Å; C542-Q546 PolarHBondContact O-N 2.9Å; C542-Q546 VanDerWaalsContact O-N 3.1Å; C544-Q546 PolarHBondContact O-N 2.66Å; Q546-Y548 VanDerWaalsContact C-N 3.31Å; Q546-Y548 HydrophobicContact CB-CD2 3.91Å; Q546-Y548 HydrophobicContact CB-CE2 4.02Å; Q546-Y548 PolarHBondContact O-N 2.81Å
547G92.3Very high96.8Very high19 Ų1932.4 Ų32.420%0.19617%0.165CC..THydrogen-bonded Turntrans74.414.2173.200000115.1L543 C544 N545 T549L543-G547 PolarHBondContact O-N 2.87Å; C544-G547 PolarHBondContact O-N 2.89Å; N545-G547 VanDerWaalsContact C-N 3.27Å; G547-T549 VanDerWaalsContact C-N 3.33Å
548Y94.5Very high96.8Very high3 Ų331.9 Ų31.91%0.01216%0.162CC..SBendtrans-67.4-38172.5-72.7-76000111.5Q443 I457 E459 R469 A472 V504 L543 Q546Q443-Y548 PolarHBondContact NE2-OH 2.89Å; I457-Y548 HydrophobicContact CD1-CD2 3.91Å; I457-Y548 HydrophobicContact CD1-CE1 4.23Å; I457-Y548 HydrophobicContact CD1-CE2 3.29Å; I457-Y548 VanDerWaalsContact CD1-CZ 3.47Å; I457-Y548 HydrophobicContact CG2-CD1 4.12Å; I457-Y548 HydrophobicContact CG2-CE1 3.8Å; E459-Y548 WeakPolarHBondContact OE1-CE1 3.5Å; R469-Y548 PolarHBondContact NH1-OH 3.23Å; R469-Y548 VanDerWaalsContact NH2-CZ 3.34Å; R469-Y548 PolarHBondContact NH2-OH 2.78Å; A472-Y548 PolarHBondContact N-O 2.75Å; V504-Y548 HydrophobicContact CG1-CD1 4.27Å; V504-Y548 HydrophobicContact CG2-CD1 4.29Å; L543-Y548 HydrophobicContact CD2-CD2 4.02Å; L543-Y548 HydrophobicContact CD2-CG 4.25Å; L543-Y548 WeakPolarHBondContact O-CB 3.35Å; L543-Y548 PolarHBondContact O-N 2.87Å; L543-Y548 VanDerWaalsContact O-N 3.12Å; Q546-Y548 VanDerWaalsContact C-N 3.31Å; Q546-Y548 HydrophobicContact CB-CD2 3.91Å; Q546-Y548 HydrophobicContact CB-CE2 4.02Å; Q546-Y548 PolarHBondContact O-N 2.81Å
549T96.4Very high96.7Very high0 Ų031.7 Ų31.70%016%0.162CC..  trans-155.9-173.5-175.9-1640000111.1A472 A474 L543 C544 G547 K553 L554A472-T549 VanDerWaalsContact O-CB 3.29Å; A472-T549 WeakPolarHBondContact O-CB 3.18Å; A472-T549 PolarHBondContact O-OG1 3.36Å; A474-T549 HydrophobicContact CB-CG2 3.76Å; L543-T549 HydrophobicContact CB-CG2 4.08Å; C544-T549 WeakPolarHBondContact CA-O 3.14Å; G547-T549 VanDerWaalsContact C-N 3.33Å; T549-K553 PolarHBondContact OG1-O 2.87Å; T549-L554 HydrophobicContact CG2-CB 4.33Å; T549-L554 HydrophobicContact CG2-CD1 4.21Å
550C96.2Very high96.7Very high17 Ų1732.8 Ų32.812%0.11517%0.169CC..  trans-139.9164.1171.564.70000110.1M471 E552 K553 L554M471-C550 HydrophobicContact CE-CB 4.01Å; M471-C550 HydrophobicContact SD-CB 3.69Å; C550-E552 PolarHBondContact O-N 2.95Å; C550-E552 VanDerWaalsContact O-N 3.14Å; C550-E552 PolarHBondContact SG-OE2 2.87Å; C550-K553 CarbonylContact O-C 3.55Å; C550-K553 WeakPolarHBondContact O-CA 3.44Å; C550-K553 PolarHBondContact O-N 2.8Å; C550-L554 PolarHBondContact O-N 2.77Å
551P96Very high96.7Very high34 Ų3432.9 Ų32.922%0.22117%0.17CC..G310 helixtrans-50.6-38.8-180-30.838.3000114.1K553 L554 M576 F577 R578P551-K553 PolarHBondContact O-N 3Å; P551-K553 VanDerWaalsContact O-N 3.14Å; P551-L554 PolarHBondContact O-N 2.82Å; P551-M576 HydrophobicContact CG-CE 4.37Å; P551-F577 CarbonylContact O-C 3.6Å; P551-R578 WeakPolarHBondContact O-CB 3.33Å; P551-R578 PolarHBondContact O-N 2.91Å
552E95.5Very high96.7Very high128 Ų12827.1 Ų27.160%0.59815%0.148SC*.G310 helixtrans-70-8.4179.5-55.776.5-167.900113.8C550 R578C550-E552 PolarHBondContact O-N 2.95Å; C550-E552 VanDerWaalsContact O-N 3.14Å; C550-E552 PolarHBondContact SG-OE2 2.87Å; E552-R578 VanDerWaalsContact O-CB 3.32Å; E552-R578 WeakPolarHBondContact O-CB 3.22Å; E552-R578 WeakPolarHBondContact O-CD 3.27Å; E552-R578 WeakPolarHBondContact O-CG 3.25Å
553K97.3Very high96.8Very high79 Ų7926.4 Ų26.434%0.34314%0.143SC..G310 helixtrans-126.77.3-179.8-73.7-177.4173.3178.60113.1M471 A474 T549 C550 P551 M709M471-K553 WeakPolarHBondContact O-CD 3.3Å; M471-K553 PolarHBondContact O-NZ 2.8Å; A474-K553 PolarHBondContact N-O 3.21Å; T549-K553 PolarHBondContact OG1-O 2.87Å; C550-K553 CarbonylContact O-C 3.55Å; C550-K553 WeakPolarHBondContact O-CA 3.44Å; C550-K553 PolarHBondContact O-N 2.8Å; P551-K553 PolarHBondContact O-N 3Å; P551-K553 VanDerWaalsContact O-N 3.14Å; K553-M709 WeakPolarHBondContact O-CE 3.45Å
554L98.5Very high96.9Very high0 Ų026.4 Ų26.40%014%0.143CC..EExtended strand (participates in β ladder)trans-98.9119.5-179.5-178.758.6000111.1A474 L476 A540 L543 T549 C550 P551 F577 R578 C579A474-L554 HydrophobicContact CB-CD1 4Å; L476-L554 HydrophobicContact CB-CD1 4.04Å; A540-L554 HydrophobicContact CB-CD2 3.74Å; L543-L554 HydrophobicContact CD1-CD1 4.4Å; T549-L554 HydrophobicContact CG2-CB 4.33Å; T549-L554 HydrophobicContact CG2-CD1 4.21Å; C550-L554 PolarHBondContact O-N 2.77Å; P551-L554 PolarHBondContact O-N 2.82Å; L554-F577 HydrophobicContact CD2-CD1 3.97Å; L554-F577 HydrophobicContact CD2-CE1 4.2Å; L554-F577 HydrophobicContact CG-CD1 4.27Å; L554-R578 PolarHBondContact O-N 3.01Å; L554-C579 PolarHBondContact O-N 2.82Å
555C98.9Very high97Very high0 Ų025.7 Ų25.70%014%0.139CC..EExtended strand (participates in β ladder)trans-97.9139.1165.2-144.60000110.2A474 I475 L476 C579 M709A474-C555 WeakPolarHBondContact O-CB 3.48Å; A474-C555 PolarHBondContact O-N 3.08Å; I475-C555 CarbonylContact C-O 3.46Å; I475-C555 WeakPolarHBondContact CA-O 3.36Å; I475-C555 HydrophobicContact CG1-CB 4.19Å; L476-C555 PolarHBondContact N-O 3.21Å; C555-C579 CarbonylContact C-O 3.57Å; C555-C579 VanDerWaalsContact CA-O 3.26Å; C555-C579 WeakPolarHBondContact CA-O 3.21Å; C555-C579 HydrophobicContact CB-CB 4.38Å; C555-C579 WeakPolarHBondContact CB-SG 3.3Å; C555-C579 VanDerWaalsContact SG-C 3.51Å; C555-C579 WeakPolarHBondContact SG-CB 3.14Å; C555-C579 PolarHBondContact SG-O 3.33Å; C555-C579 CovalentContact SG-SG 2.05Å; C555-C579 PolarHBondContact SG-SG 2.83Å; C555-M709 HydrophobicContact CB-CE 4.01Å
556I98.9Very high97.2Very high0 Ų019 Ų190%010%0.103CC..EExtended strand (participates in β ladder)trans-107.3139167.853.7173.3000110.4L476 F536 V566 C569 F577 C579 V580 I581L476-I556 HydrophobicContact CB-CG2 4.32Å; L476-I556 HydrophobicContact CD2-CG2 4.47Å; L476-I556 WeakPolarHBondContact O-CA 3.15Å; F536-I556 HydrophobicContact CE1-CB 3.87Å; F536-I556 HydrophobicContact CE1-CG2 3.65Å; F536-I556 HydrophobicContact CZ-CB 4.34Å; F536-I556 HydrophobicContact CZ-CG2 4.22Å; I556-V566 HydrophobicContact CB-CB 4.36Å; I556-V566 HydrophobicContact CB-CG1 3.99Å; I556-V566 HydrophobicContact CD1-CB 3.82Å; I556-V566 HydrophobicContact CD1-CG1 4.26Å; I556-V566 WeakPolarHBondContact CD1-O 3.42Å; I556-V566 HydrophobicContact CG1-CB 4.02Å; I556-V566 HydrophobicContact CG1-CG1 4.21Å; I556-C569 HydrophobicContact CD1-CB 4.11Å; I556-F577 HydrophobicContact CB-CD1 4.43Å; I556-F577 HydrophobicContact CD1-CD1 4.07Å; I556-F577 HydrophobicContact CD1-CD2 3.81Å; I556-F577 HydrophobicContact CD1-CE1 4.17Å; I556-F577 HydrophobicContact CD1-CE2 3.92Å; I556-F577 HydrophobicContact CD1-CG 3.88Å; I556-F577 HydrophobicContact CD1-CZ 4.1Å; I556-F577 HydrophobicContact CG1-CD1 4.21Å; I556-F577 HydrophobicContact CG1-CG 4.16Å; I556-F577 HydrophobicContact CG2-CD1 3.43Å; I556-F577 VanDerWaalsContact CG2-CD1 3.43Å; I556-F577 HydrophobicContact CG2-CE1 3.47Å; I556-F577 VanDerWaalsContact CG2-CE1 3.47Å; I556-F577 HydrophobicContact CG2-CG 4.23Å; I556-F577 HydrophobicContact CG2-CZ 4.3Å; I556-C579 PolarHBondContact N-O 2.78Å; I556-V580 HydrophobicContact CD1-CG2 4.05Å; I556-V580 HydrophobicContact CG1-CB 4.31Å; I556-V580 HydrophobicContact CG1-CG1 4.28Å; I556-V580 HydrophobicContact CG1-CG2 3.86Å; I556-V580 WeakPolarHBondContact O-CA 3.42Å; I556-I581 PolarHBondContact O-N 2.91Å
557M98.9Very high97.6Very high6 Ų615.4 Ų15.43%0.039%0.086CC..EExtended strand (participates in β ladder)trans-136.1138.9-175-175.8173-179.900112.1I475 L476 Y477 G478 L493 I581 I701I475-M557 HydrophobicContact CG2-CB 3.79Å; I475-M557 HydrophobicContact CG2-SD 4.3Å; L476-M557 PolarHBondContact O-N 3.45Å; Y477-M557 WeakPolarHBondContact CA-O 3.35Å; Y477-M557 HydrophobicContact CD2-CB 4.22Å; Y477-M557 HydrophobicContact CD2-CG 3.99Å; Y477-M557 HydrophobicContact CD2-SD 4.5Å; Y477-M557 HydrophobicContact CE2-CG 4.38Å; G478-M557 PolarHBondContact N-O 2.83Å; L493-M557 HydrophobicContact CD2-CE 3.6Å; L493-M557 HydrophobicContact CD2-SD 4Å; M557-I581 WeakPolarHBondContact CA-O 3.31Å; M557-I581 HydrophobicContact CB-CB 4.23Å; M557-I581 HydrophobicContact CE-CG2 4.25Å; M557-I581 HydrophobicContact CG-CB 3.96Å; M557-I581 HydrophobicContact CG-CG2 4.13Å; M557-I581 HydrophobicContact SD-CG2 4.42Å; M557-I701 HydrophobicContact CE-CD1 3.83Å
558G98.7Very high97.9Very high0 Ų014.6 Ų14.60%08%0.078CC..EExtended strand (participates in β ladder)trans-166.7154175.400000112.5G562 I581 Q583G558-G562 VanDerWaalsContact C-C 3.44Å; G558-G562 WeakPolarHBondContact CA-O 3.35Å; G558-I581 PolarHBondContact N-O 3.45Å; G558-I581 VanDerWaalsContact N-O 3.16Å; G558-Q583 PolarHBondContact O-N 2.93Å
559G97.6Very high98Very high11 Ų1114.5 Ų14.511%0.1138%0.077CC..EExtended strand (participates in β ladder)trans-120.1144.7-179.800000112.7Y479 N561 G562 Q583Y479-G559 WeakPolarHBondContact CE2-O 3.32Å; G559-N561 PolarHBondContact O-N 3.39Å; G559-G562 VanDerWaalsContact O-CA 3.31Å; G559-G562 WeakPolarHBondContact O-CA 3.49Å; G559-G562 PolarHBondContact O-N 3.26Å; G559-Q583 CarbonylContact C-O 3.59Å; G559-Q583 WeakPolarHBondContact CA-O 3.46Å
560S97.9Very high98.1Very high22 Ų2214.7 Ų14.715%0.1548%0.079CC..THydrogen-bonded Turntrans61.1-118.3179.4-172.30000111.3G562 G563 L564 Q583 V584 H685S560-G562 PolarHBondContact O-N 2.88Å; S560-G563 WeakPolarHBondContact O-CA 3.11Å; S560-G563 PolarHBondContact O-N 2.9Å; S560-L564 PolarHBondContact O-N 2.8Å; S560-Q583 PolarHBondContact N-O 2.68Å; S560-V584 VanDerWaalsContact CA-O 3.24Å; S560-V584 WeakPolarHBondContact CA-O 3.29Å; S560-H685 WeakPolarHBondContact CB-NE2 3.16Å; S560-H685 PolarHBondContact OG-NE2 3.24Å
561N98.5Very high98.1Very high2 Ų215.2 Ų15.21%0.0118%0.08CC..Hα-helixtrans-58.4-28.7167.5174.474.8000113.3Y479 G480 G481 F482 K529 G559 G563 L564 L565 Y605Y479-N561 HydrophobicContact CD2-CB 4.33Å; Y479-N561 HydrophobicContact CE1-CB 4.04Å; Y479-N561 HydrophobicContact CE2-CB 3.73Å; Y479-N561 PolarHBondContact O-ND2 2.65Å; G480-N561 PolarHBondContact O-ND2 2.78Å; G481-N561 PolarHBondContact N-ND2 3.18Å; F482-N561 HydrophobicContact CD2-CB 4.19Å; F482-N561 HydrophobicContact CE2-CB 3.85Å; K529-N561 PolarHBondContact NZ-OD1 2.69Å; G559-N561 PolarHBondContact O-N 3.39Å; N561-G563 VanDerWaalsContact C-N 3.26Å; N561-G563 PolarHBondContact O-N 3.03Å; N561-L564 WeakPolarHBondContact O-CB 3.27Å; N561-L564 PolarHBondContact O-N 2.67Å; N561-L565 PolarHBondContact O-N 2.89Å; N561-Y605 WeakPolarHBondContact CB-OH 3.4Å; N561-Y605 WeakPolarHBondContact OD1-CE1 3.47Å; N561-Y605 PolarHBondContact OD1-OH 2.81Å
562G98.7Very high98.1Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-66.3-28.1168.900000113G558 G559 S560 L565 V566G558-G562 VanDerWaalsContact C-C 3.44Å; G558-G562 WeakPolarHBondContact CA-O 3.35Å; G559-G562 VanDerWaalsContact O-CA 3.31Å; G559-G562 WeakPolarHBondContact O-CA 3.49Å; G559-G562 PolarHBondContact O-N 3.26Å; S560-G562 PolarHBondContact O-N 2.88Å; G562-L565 WeakPolarHBondContact O-CB 3.45Å; G562-L565 PolarHBondContact O-N 3.31Å; G562-V566 WeakPolarHBondContact O-CG2 3.47Å; G562-V566 PolarHBondContact O-N 3.46Å
563G98.6Very high98.1Very high0 Ų012.7 Ų12.70%07%0.066CC..Hα-helixtrans-68.1-42.8172.200000112S560 N561 L565 V566 A567 S582S560-G563 WeakPolarHBondContact O-CA 3.11Å; S560-G563 PolarHBondContact O-N 2.9Å; N561-G563 VanDerWaalsContact C-N 3.26Å; N561-G563 PolarHBondContact O-N 3.03Å; G563-L565 VanDerWaalsContact C-N 3.33Å; G563-L565 PolarHBondContact O-N 3.29Å; G563-V566 WeakPolarHBondContact O-CG2 3.28Å; G563-V566 PolarHBondContact O-N 3.14Å; G563-A567 WeakPolarHBondContact O-CB 3.23Å; G563-A567 PolarHBondContact O-N 3.37Å; G563-S582 WeakPolarHBondContact CA-OG 3.12Å; G563-S582 PolarHBondContact O-OG 3.17Å
564L98.8Very high98Very high0 Ų010.2 Ų10.20%06%0.057CC..Hα-helixtrans-55.7-48.4168.7167.163.6000111.1S560 N561 V566 T568 L586 M589 Y605 Y620 P622S560-L564 PolarHBondContact O-N 2.8Å; N561-L564 WeakPolarHBondContact O-CB 3.27Å; N561-L564 PolarHBondContact O-N 2.67Å; L564-V566 PolarHBondContact O-N 2.89Å; L564-T568 WeakPolarHBondContact CD1-OG1 3.39Å; L564-T568 VanDerWaalsContact O-CB 3.29Å; L564-T568 WeakPolarHBondContact O-CB 3.5Å; L564-T568 PolarHBondContact O-N 3.46Å; L564-T568 PolarHBondContact O-OG1 3.05Å; L564-L586 HydrophobicContact CB-CB 4.35Å; L564-L586 WeakPolarHBondContact CB-O 3.01Å; L564-L586 WeakPolarHBondContact CD1-O 3.44Å; L564-M589 HydrophobicContact CD1-CG 4.14Å; L564-M589 HydrophobicContact CD1-SD 3.67Å; L564-M589 HydrophobicContact CD2-CE 3.93Å; L564-M589 HydrophobicContact CD2-SD 3.84Å; L564-M589 HydrophobicContact CG-SD 4.34Å; L564-Y605 HydrophobicContact CD2-CD1 4.37Å; L564-Y605 HydrophobicContact CD2-CE1 3.6Å; L564-Y620 HydrophobicContact CD1-CD2 4.1Å; L564-Y620 HydrophobicContact CD1-CE2 4.05Å; L564-Y620 HydrophobicContact CD2-CE2 4.1Å; L564-P622 VanDerWaalsContact CD1-CD 3.48Å; L564-P622 HydrophobicContact CD1-CG 3.6Å
565L98.9Very high97.7Very high1 Ų114.2 Ų14.21%0.0058%0.079CC..Hα-helixtrans-53.8-54.9179169.461.4000111.8V532 F533 F536 N561 G562 G563 T568 C569V532-L565 HydrophobicContact CG1-CD1 3.95Å; F533-L565 HydrophobicContact CD1-CD1 3.63Å; F533-L565 HydrophobicContact CE1-CD1 4.27Å; F536-L565 HydrophobicContact CB-CD1 3.75Å; F536-L565 HydrophobicContact CB-CD2 4.49Å; F536-L565 HydrophobicContact CB-CG 4.47Å; F536-L565 HydrophobicContact CD1-CD1 4.12Å; F536-L565 HydrophobicContact CD1-CD2 4.35Å; F536-L565 HydrophobicContact CD1-CG 4.12Å; F536-L565 HydrophobicContact CD2-CD2 3.82Å; F536-L565 HydrophobicContact CD2-CG 4.43Å; F536-L565 HydrophobicContact CE1-CG 4.44Å; F536-L565 HydrophobicContact CE2-CD2 4.05Å; F536-L565 HydrophobicContact CG-CD1 3.9Å; F536-L565 HydrophobicContact CG-CD2 3.97Å; F536-L565 HydrophobicContact CG-CG 4.09Å; F536-L565 HydrophobicContact CZ-CD2 4.39Å; N561-L565 PolarHBondContact O-N 2.89Å; G562-L565 WeakPolarHBondContact O-CB 3.45Å; G562-L565 PolarHBondContact O-N 3.31Å; G563-L565 VanDerWaalsContact C-N 3.33Å; G563-L565 PolarHBondContact O-N 3.29Å; L565-T568 PolarHBondContact O-N 2.86Å; L565-C569 WeakPolarHBondContact O-CB 3.4Å; L565-C569 PolarHBondContact O-N 3.3Å; L565-C569 PolarHBondContact O-SG 3.28Å
566V98.9Very high97.6Very high0 Ų015.5 Ų15.50%09%0.085CC..Hα-helixtrans-71.2-37.1-174.3-61.20000112.8F536 I556 G562 G563 L564 C569 A570 V580F536-V566 HydrophobicContact CE1-CG1 4.04Å; F536-V566 HydrophobicContact CZ-CG1 4.27Å; I556-V566 HydrophobicContact CB-CB 4.36Å; I556-V566 HydrophobicContact CB-CG1 3.99Å; I556-V566 HydrophobicContact CD1-CB 3.82Å; I556-V566 HydrophobicContact CD1-CG1 4.26Å; I556-V566 WeakPolarHBondContact CD1-O 3.42Å; I556-V566 HydrophobicContact CG1-CB 4.02Å; I556-V566 HydrophobicContact CG1-CG1 4.21Å; G562-V566 WeakPolarHBondContact O-CG2 3.47Å; G562-V566 PolarHBondContact O-N 3.46Å; G563-V566 WeakPolarHBondContact O-CG2 3.28Å; G563-V566 PolarHBondContact O-N 3.14Å; L564-V566 PolarHBondContact O-N 2.89Å; V566-C569 PolarHBondContact O-N 3.32Å; V566-A570 WeakPolarHBondContact O-CB 3.5Å; V566-A570 PolarHBondContact O-N 2.88Å; V566-V580 HydrophobicContact CB-CG1 4.01Å; V566-V580 HydrophobicContact CG2-CG1 3.78Å
567A98.7Very high97.5Very high2 Ų216 Ų162%0.0179%0.087CC..Hα-helixtrans-66.7-41.1175.400000112.2G563 A570 N571 F587 P622 Y657G563-A567 WeakPolarHBondContact O-CB 3.23Å; G563-A567 PolarHBondContact O-N 3.37Å; A567-A570 PolarHBondContact O-N 2.88Å; A567-N571 PolarHBondContact O-N 3.26Å; A567-F587 HydrophobicContact CB-CD1 3.78Å; A567-F587 HydrophobicContact CB-CE1 3.51Å; A567-P622 HydrophobicContact CB-CB 4.05Å; A567-P622 HydrophobicContact CB-CG 4.09Å; A567-Y657 HydrophobicContact CB-CE1 3.9Å
568T98.6Very high97.5Very high2 Ų219.2 Ų19.21%0.01210%0.099CC..Hα-helixtrans-62.3-45.8175.6-55.20000110.9F533 L564 L565 A570 N571 Q572 Y620F533-T568 HydrophobicContact CD1-CG2 3.9Å; F533-T568 HydrophobicContact CD2-CG2 3.7Å; F533-T568 HydrophobicContact CE1-CG2 3.94Å; F533-T568 HydrophobicContact CE2-CG2 3.75Å; F533-T568 HydrophobicContact CG-CG2 3.81Å; F533-T568 HydrophobicContact CZ-CG2 3.87Å; L564-T568 WeakPolarHBondContact CD1-OG1 3.39Å; L564-T568 VanDerWaalsContact O-CB 3.29Å; L564-T568 WeakPolarHBondContact O-CB 3.5Å; L564-T568 PolarHBondContact O-N 3.46Å; L564-T568 PolarHBondContact O-OG1 3.05Å; L565-T568 PolarHBondContact O-N 2.86Å; T568-A570 VanDerWaalsContact C-N 3.33Å; T568-A570 PolarHBondContact O-N 3.25Å; T568-N571 PolarHBondContact O-N 3.33Å; T568-Q572 HydrophobicContact CG2-CG 4.39Å; T568-Q572 WeakPolarHBondContact O-CG 3.4Å; T568-Q572 PolarHBondContact O-N 2.9Å; T568-Y620 PolarHBondContact OG1-O 2.85Å
569C98.5Very high97.4Very high1 Ų119.2 Ų19.21%0.00710%0.099CC..Hα-helixtrans-61.3-42.2177.3-68.20000111.7I556 L565 V566 N571 Q572 H573 F577I556-C569 HydrophobicContact CD1-CB 4.11Å; L565-C569 WeakPolarHBondContact O-CB 3.4Å; L565-C569 PolarHBondContact O-N 3.3Å; L565-C569 PolarHBondContact O-SG 3.28Å; V566-C569 PolarHBondContact O-N 3.32Å; C569-N571 VanDerWaalsContact C-N 3.34Å; C569-N571 PolarHBondContact O-N 2.89Å; C569-Q572 PolarHBondContact O-N 2.9Å; C569-H573 PolarHBondContact O-N 2.89Å; C569-F577 HydrophobicContact CB-CE2 4Å; C569-F577 HydrophobicContact CB-CZ 4.13Å
570A97Very high97.5Very high4 Ų418.8 Ų18.83%0.03310%0.095CC..Hα-helixtrans-63.9-37.1177.300000112.9V566 A567 T568 P574 V580 P636V566-A570 WeakPolarHBondContact O-CB 3.5Å; V566-A570 PolarHBondContact O-N 2.88Å; A567-A570 PolarHBondContact O-N 2.88Å; T568-A570 VanDerWaalsContact C-N 3.33Å; T568-A570 PolarHBondContact O-N 3.25Å; A570-P574 WeakPolarHBondContact O-CA 3.48Å; A570-P574 VanDerWaalsContact O-CB 3.31Å; A570-P574 WeakPolarHBondContact O-CB 3.43Å; A570-P574 WeakPolarHBondContact O-CD 3.28Å; A570-V580 HydrophobicContact CB-CG2 3.61Å; A570-P636 HydrophobicContact CB-CG 3.86Å
571N96.5Very high97.5Very high27 Ų2717.8 Ų17.814%0.1449%0.087CC..Hα-helixtrans-71.2-39.1176-71.7-8.1000112.2A567 T568 C569 P622 Y657A567-N571 PolarHBondContact O-N 3.26Å; T568-N571 PolarHBondContact O-N 3.33Å; C569-N571 VanDerWaalsContact C-N 3.34Å; C569-N571 PolarHBondContact O-N 2.89Å; N571-P622 PolarHBondContact ND2-O 3.15Å; N571-Y657 PolarHBondContact ND2-OH 3.42Å; N571-Y657 VanDerWaalsContact ND2-OH 3.15Å; N571-Y657 PolarHBondContact OD1-OH 3.25Å; N571-Y657 VanDerWaalsContact OD1-OH 3.05Å
572Q96Very high97.5Very high59 Ų5917.7 Ų17.728%0.2769%0.087SC..Hα-helixtrans-76.7-37.7-178.9-68.7-178.9-7.300112.6T568 C569T568-Q572 HydrophobicContact CG2-CG 4.39Å; T568-Q572 WeakPolarHBondContact O-CG 3.4Å; T568-Q572 PolarHBondContact O-N 2.9Å; C569-Q572 PolarHBondContact O-N 2.9Å
573H95.7Very high97.5Very high51 Ų5119.2 Ų19.224%0.2369%0.094CC..  trans-135.860.7-173.4-61.3-69.7000112.3L537 C569 D575 M576 F577L537-H573 HydrophobicContact CD1-CB 4.12Å; L537-H573 WeakPolarHBondContact CD2-NE2 3.27Å; C569-H573 PolarHBondContact O-N 2.89Å; H573-D575 PolarHBondContact O-N 3.25Å; H573-D575 VanDerWaalsContact O-N 3.1Å; H573-M576 HydrophobicContact CB-CB 4.26Å; H573-M576 HydrophobicContact CB-CG 4.11Å; H573-M576 PolarHBondContact O-N 3.21Å; H573-M576 VanDerWaalsContact O-N 3.08Å; H573-F577 HydrophobicContact CB-CE2 4.23Å; H573-F577 VanDerWaalsContact O-CD2 3.3Å; H573-F577 WeakPolarHBondContact O-CD2 3.23Å; H573-F577 WeakPolarHBondContact O-CE2 3.37Å
574P94.4Very high97.5Very high26 Ų2619.8 Ų19.817%0.16910%0.098CC..G310 helixtrans-62.5-22.1-174.724.9-34.9000113.8A570 M576 L635A570-P574 WeakPolarHBondContact O-CA 3.48Å; A570-P574 VanDerWaalsContact O-CB 3.31Å; A570-P574 WeakPolarHBondContact O-CB 3.43Å; A570-P574 WeakPolarHBondContact O-CD 3.28Å; P574-M576 VanDerWaalsContact C-N 3.34Å; P574-L635 HydrophobicContact CB-CD2 4.32Å
575D93.6Very high97.4Very high84 Ų8419.8 Ų19.845%0.44910%0.098SC..G310 helixtrans-79.9-9.7178.752.6-33000114.5H573 K633H573-D575 PolarHBondContact O-N 3.25Å; H573-D575 VanDerWaalsContact O-N 3.1Å; D575-K633 HydrophobicContact CB-CD 4.41Å; D575-K633 IonicContact OD1-NZ 3.17Å; D575-K633 IonicContact OD2-NZ 3.5Å; D575-K633 PolarHBondContact OD2-NZ 3.09Å
576M96.4Very high97.3Very high28 Ų2819.9 Ų19.914%0.13810%0.098CC..G310 helixtrans-88.5-8.7-180-76.9-64.3-45.500113.9L537 R541 P551 H573 P574L537-M576 HydrophobicContact CD1-CB 4.32Å; L537-M576 HydrophobicContact CD1-CG 3.9Å; R541-M576 HydrophobicContact CG-CE 3.83Å; P551-M576 HydrophobicContact CG-CE 4.37Å; H573-M576 HydrophobicContact CB-CB 4.26Å; H573-M576 HydrophobicContact CB-CG 4.11Å; H573-M576 PolarHBondContact O-N 3.21Å; H573-M576 VanDerWaalsContact O-N 3.08Å; P574-M576 VanDerWaalsContact C-N 3.34Å
577F97.6Very high97.3Very high10 Ų1019.9 Ų19.94%0.04410%0.098CC..  trans-134.5141.9-169.5-45-64.4000111L537 A540 P551 L554 I556 C569 H573 P636L537-F577 HydrophobicContact CD1-CZ 4.31Å; A540-F577 HydrophobicContact CB-CE1 3.89Å; P551-F577 CarbonylContact O-C 3.6Å; L554-F577 HydrophobicContact CD2-CD1 3.97Å; L554-F577 HydrophobicContact CD2-CE1 4.2Å; L554-F577 HydrophobicContact CG-CD1 4.27Å; I556-F577 HydrophobicContact CB-CD1 4.43Å; I556-F577 HydrophobicContact CD1-CD1 4.07Å; I556-F577 HydrophobicContact CD1-CD2 3.81Å; I556-F577 HydrophobicContact CD1-CE1 4.17Å; I556-F577 HydrophobicContact CD1-CE2 3.92Å; I556-F577 HydrophobicContact CD1-CG 3.88Å; I556-F577 HydrophobicContact CD1-CZ 4.1Å; I556-F577 HydrophobicContact CG1-CD1 4.21Å; I556-F577 HydrophobicContact CG1-CG 4.16Å; I556-F577 HydrophobicContact CG2-CD1 3.43Å; I556-F577 VanDerWaalsContact CG2-CD1 3.43Å; I556-F577 HydrophobicContact CG2-CE1 3.47Å; I556-F577 VanDerWaalsContact CG2-CE1 3.47Å; I556-F577 HydrophobicContact CG2-CG 4.23Å; I556-F577 HydrophobicContact CG2-CZ 4.3Å; C569-F577 HydrophobicContact CB-CE2 4Å; C569-F577 HydrophobicContact CB-CZ 4.13Å; H573-F577 HydrophobicContact CB-CE2 4.23Å; H573-F577 VanDerWaalsContact O-CD2 3.3Å; H573-F577 WeakPolarHBondContact O-CD2 3.23Å; H573-F577 WeakPolarHBondContact O-CE2 3.37Å; F577-P636 HydrophobicContact CB-CB 4.23Å; F577-P636 WeakPolarHBondContact O-CB 3.35Å
578R97.7Very high97.3Very high74 Ų7419.9 Ų19.928%0.27910%0.098SC..SBendtrans-87.3-41.3170.5179.462.8-179.7154.75.6111.5P551 E552 L554 A637 N673 V708 M709P551-R578 WeakPolarHBondContact O-CB 3.33Å; P551-R578 PolarHBondContact O-N 2.91Å; E552-R578 VanDerWaalsContact O-CB 3.32Å; E552-R578 WeakPolarHBondContact O-CB 3.22Å; E552-R578 WeakPolarHBondContact O-CD 3.27Å; E552-R578 WeakPolarHBondContact O-CG 3.25Å; L554-R578 PolarHBondContact O-N 3.01Å; R578-A637 PolarHBondContact O-N 2.74Å; R578-N673 PolarHBondContact NH1-OD1 2.84Å; R578-V708 HydrophobicContact CG-CG1 3.85Å; R578-V708 PolarHBondContact NE-O 3.34Å; R578-V708 PolarHBondContact NH2-O 2.98Å; R578-M709 HydrophobicContact CB-CE 3.92Å; R578-M709 HydrophobicContact CG-CE 4.01Å; R578-M709 HydrophobicContact CG-CG 3.86Å
579C97.8Very high97.3Very high0 Ų019.8 Ų19.80%010%0.097CC..EExtended strand (participates in β ladder)trans-139.9160.3175.460.70000115.3L554 C555 I556 A637 F704 V708L554-C579 PolarHBondContact O-N 2.82Å; C555-C579 CarbonylContact C-O 3.57Å; C555-C579 VanDerWaalsContact CA-O 3.26Å; C555-C579 WeakPolarHBondContact CA-O 3.21Å; C555-C579 HydrophobicContact CB-CB 4.38Å; C555-C579 WeakPolarHBondContact CB-SG 3.3Å; C555-C579 VanDerWaalsContact SG-C 3.51Å; C555-C579 WeakPolarHBondContact SG-CB 3.14Å; C555-C579 PolarHBondContact SG-O 3.33Å; C555-C579 CovalentContact SG-SG 2.05Å; C555-C579 PolarHBondContact SG-SG 2.83Å; I556-C579 PolarHBondContact N-O 2.78Å; C579-A637 CarbonylContact C-O 3.59Å; C579-A637 WeakPolarHBondContact CA-O 3.5Å; C579-A637 HydrophobicContact CB-CB 4.2Å; C579-A637 WeakPolarHBondContact CB-O 3.33Å; C579-F704 HydrophobicContact CB-CE1 4.08Å; C579-V708 HydrophobicContact CB-CG1 4.32Å
580V98.8Very high97.3Very high2 Ų219.8 Ų19.81%0.01210%0.097CC..EExtended strand (participates in β ladder)trans-130.5125.5178.1-177.30000108I556 V566 A570 P636 A637 T638 L639I556-V580 HydrophobicContact CD1-CG2 4.05Å; I556-V580 HydrophobicContact CG1-CB 4.31Å; I556-V580 HydrophobicContact CG1-CG1 4.28Å; I556-V580 HydrophobicContact CG1-CG2 3.86Å; I556-V580 WeakPolarHBondContact O-CA 3.42Å; V566-V580 HydrophobicContact CB-CG1 4.01Å; V566-V580 HydrophobicContact CG2-CG1 3.78Å; A570-V580 HydrophobicContact CB-CG2 3.61Å; V580-P636 HydrophobicContact CG2-CB 3.92Å; V580-P636 HydrophobicContact CG2-CG 3.43Å; V580-P636 VanDerWaalsContact CG2-CG 3.43Å; V580-A637 PolarHBondContact N-O 2.87Å; V580-T638 HydrophobicContact CB-CG2 4.29Å; V580-T638 HydrophobicContact CG1-CG2 4.48Å; V580-T638 WeakPolarHBondContact O-CA 3.33Å; V580-L639 PolarHBondContact O-N 3.17Å
581I98.9Very high97.3Very high0 Ų020.7 Ų20.70%010%0.1CC..EExtended strand (participates in β ladder)trans-113.8111.1169.8-52.3-61.3000107.4I556 M557 G558 L639 L641 I701 F704 I705I556-I581 PolarHBondContact O-N 2.91Å; M557-I581 WeakPolarHBondContact CA-O 3.31Å; M557-I581 HydrophobicContact CB-CB 4.23Å; M557-I581 HydrophobicContact CE-CG2 4.25Å; M557-I581 HydrophobicContact CG-CB 3.96Å; M557-I581 HydrophobicContact CG-CG2 4.13Å; M557-I581 HydrophobicContact SD-CG2 4.42Å; G558-I581 PolarHBondContact N-O 3.45Å; G558-I581 VanDerWaalsContact N-O 3.16Å; I581-L639 HydrophobicContact CD1-CB 3.79Å; I581-L639 HydrophobicContact CD1-CD2 4.13Å; I581-L641 HydrophobicContact CG2-CD1 4.25Å; I581-I701 HydrophobicContact CD1-CG2 4.4Å; I581-I701 HydrophobicContact CG1-CG2 4.25Å; I581-I701 HydrophobicContact CG2-CD1 4.17Å; I581-I701 HydrophobicContact CG2-CG1 4.02Å; I581-I701 HydrophobicContact CG2-CG2 4.42Å; I581-F704 HydrophobicContact CD1-CD1 3.6Å; I581-F704 HydrophobicContact CD1-CE1 4.13Å; I581-F704 HydrophobicContact CD1-CG 4.49Å; I581-I705 HydrophobicContact CD1-CG1 4.39Å; I581-I705 HydrophobicContact CG1-CD1 4.43Å
582S98.7Very high97.3Very high0 Ų019.5 Ų19.50%09%0.093CC..EExtended strand (participates in β ladder)trans-114.9116.4177.1-178.60000110G563 F587 L639 L640 L641G563-S582 WeakPolarHBondContact CA-OG 3.12Å; G563-S582 PolarHBondContact O-OG 3.17Å; S582-F587 VanDerWaalsContact OG-CZ 3.23Å; S582-F587 WeakPolarHBondContact OG-CZ 3.34Å; S582-L639 PolarHBondContact N-O 3.31Å; S582-L640 WeakPolarHBondContact O-CA 3.24Å; S582-L641 PolarHBondContact O-N 3.4Å
583Q98.1Very high97.1Very high32 Ų3217 Ų1715%0.158%0.082CC..EExtended strand (participates in β ladder)trans-99.1132.2177-66.5163.5-72.200110.2G558 G559 S560 G585 L641 E697G558-Q583 PolarHBondContact O-N 2.93Å; G559-Q583 CarbonylContact C-O 3.59Å; G559-Q583 WeakPolarHBondContact CA-O 3.46Å; S560-Q583 PolarHBondContact N-O 2.68Å; Q583-G585 PolarHBondContact O-N 2.81Å; Q583-L641 CarbonylContact C-O 3.48Å; Q583-L641 WeakPolarHBondContact CA-O 3.49Å; Q583-L641 HydrophobicContact CG-CB 4.11Å; Q583-L641 HydrophobicContact CG-CD1 3.8Å; Q583-L641 HydrophobicContact CG-CG 4.49Å; Q583-E697 PolarHBondContact NE2-OE1 3.04Å
584V97.4Very high96.9Very high13 Ų1318.7 Ų18.78%0.0799%0.088CC..SBendtrans42.644.4173.3-65.50000113S560 L641 D646 V649 H685S560-V584 VanDerWaalsContact CA-O 3.24Å; S560-V584 WeakPolarHBondContact CA-O 3.29Å; V584-L641 PolarHBondContact N-O 2.83Å; V584-D646 VanDerWaalsContact CB-OD2 3.31Å; V584-D646 WeakPolarHBondContact CB-OD2 3.21Å; V584-D646 WeakPolarHBondContact CG1-OD2 3.3Å; V584-V649 WeakPolarHBondContact O-CG1 3.17Å; V584-H685 WeakPolarHBondContact CG2-CE1 3.28Å
585G97.8Very high96.7Very high0 Ų018.3 Ų18.30%08%0.084CC..  trans-83150.1-164.200000114.4Q583 F587 V649 H653Q583-G585 PolarHBondContact O-N 2.81Å; G585-F587 VanDerWaalsContact O-CD2 3.24Å; G585-F587 WeakPolarHBondContact O-CD2 3.39Å; G585-F587 VanDerWaalsContact O-CE2 3.23Å; G585-F587 WeakPolarHBondContact O-CE2 3.46Å; G585-V649 WeakPolarHBondContact O-CG1 3.35Å; G585-H653 WeakPolarHBondContact O-CB 3.41Å
586L97.1Very high96.3Very high2 Ų215.1 Ų15.11%0.017%0.068CC..  trans-92.4115.4175-158.375.9000110.7L564 M589 F592 W601 Y605 V649 H653L564-L586 HydrophobicContact CB-CB 4.35Å; L564-L586 WeakPolarHBondContact CB-O 3.01Å; L564-L586 WeakPolarHBondContact CD1-O 3.44Å; L586-M589 HydrophobicContact CB-SD 4.47Å; L586-M589 HydrophobicContact CD2-CE 3.77Å; L586-M589 HydrophobicContact CD2-SD 3.7Å; L586-M589 HydrophobicContact CG-SD 3.99Å; L586-F592 HydrophobicContact CD1-CB 3.98Å; L586-F592 HydrophobicContact CD2-CB 4Å; L586-F592 HydrophobicContact CD2-CG 4.2Å; L586-F592 HydrophobicContact CG-CB 4.24Å; L586-W601 HydrophobicContact CD1-CE3 4.11Å; L586-W601 HydrophobicContact CD1-CH2 4.2Å; L586-W601 HydrophobicContact CD1-CZ3 3.39Å; L586-W601 HydrophobicContact CD2-CE3 3.93Å; L586-W601 HydrophobicContact CD2-CZ3 4.08Å; L586-W601 HydrophobicContact CG-CZ3 4.4Å; L586-Y605 HydrophobicContact CD2-CD2 4.17Å; L586-Y605 HydrophobicContact CD2-CE2 3.52Å; L586-V649 HydrophobicContact CD1-CG1 3.85Å; L586-V649 HydrophobicContact CD1-CG2 4.49Å; L586-H653 VanDerWaalsContact CD1-NE2 3.28Å; L586-H653 WeakPolarHBondContact CD1-NE2 3.38Å
587F98.7Very high95.9Very high0 Ų014.6 Ų14.60%07%0.065CC..  trans-121.7-22.9-171.7-54.4-66.3000115A567 S582 G585 S621 P622 L623 L640 H653 S654 Y657A567-F587 HydrophobicContact CB-CD1 3.78Å; A567-F587 HydrophobicContact CB-CE1 3.51Å; S582-F587 VanDerWaalsContact OG-CZ 3.23Å; S582-F587 WeakPolarHBondContact OG-CZ 3.34Å; G585-F587 VanDerWaalsContact O-CD2 3.24Å; G585-F587 WeakPolarHBondContact O-CD2 3.39Å; G585-F587 VanDerWaalsContact O-CE2 3.23Å; G585-F587 WeakPolarHBondContact O-CE2 3.46Å; F587-S621 PolarHBondContact O-OG 3.34Å; F587-P622 HydrophobicContact CB-CB 4.12Å; F587-P622 HydrophobicContact CD1-CB 3.87Å; F587-P622 HydrophobicContact CD1-CG 4.07Å; F587-P622 HydrophobicContact CG-CB 4.47Å; F587-P622 WeakPolarHBondContact O-CD 3.49Å; F587-L623 VanDerWaalsContact O-CB 3.27Å; F587-L623 WeakPolarHBondContact O-CB 3.41Å; F587-L623 PolarHBondContact O-N 3.42Å; F587-L640 HydrophobicContact CZ-CD2 3.97Å; F587-H653 HydrophobicContact CB-CB 4.49Å; F587-H653 VanDerWaalsContact CD2-C 3.49Å; F587-H653 HydrophobicContact CD2-CB 3.96Å; F587-H653 WeakPolarHBondContact CD2-O 3.5Å; F587-S654 WeakPolarHBondContact CE2-OG 3.32Å; F587-Y657 HydrophobicContact CB-CD1 4.36Å; F587-Y657 HydrophobicContact CB-CD2 4.27Å; F587-Y657 HydrophobicContact CB-CG 3.89Å; F587-Y657 AromaticContact CD1-CD1 3.62Å; F587-Y657 HydrophobicContact CD1-CD1 3.62Å; F587-Y657 AromaticContact CD1-CE1 3.91Å; F587-Y657 HydrophobicContact CD1-CE1 3.91Å; F587-Y657 HydrophobicContact CD1-CG 4.02Å; F587-Y657 HydrophobicContact CD2-CD1 4.12Å; F587-Y657 HydrophobicContact CD2-CG 4.27Å; F587-Y657 AromaticContact CE1-CD1 3.85Å; F587-Y657 HydrophobicContact CE1-CD1 3.85Å; F587-Y657 AromaticContact CE1-CE1 3.99Å; F587-Y657 HydrophobicContact CE1-CE1 3.99Å; F587-Y657 HydrophobicContact CE2-CD1 4.29Å; F587-Y657 AromaticContact CG-CD1 3.76Å; F587-Y657 HydrophobicContact CG-CD1 3.76Å; F587-Y657 HydrophobicContact CG-CE1 4.49Å; F587-Y657 AromaticContact CG-CG 3.79Å; F587-Y657 HydrophobicContact CG-CG 3.79Å; F587-Y657 HydrophobicContact CZ-CD1 4.14Å
588D98.6Very high95.6Very high2 Ų214.1 Ų14.11%0.0116%0.063CC..  trans-103.392.3175.6-175.3-19.4000108.8L590 R591 F592 L623 H624 H653 K656D588-L590 PolarHBondContact O-N 2.84Å; D588-L590 PolarHBondContact OD1-N 3.35Å; D588-R591 PolarHBondContact OD1-N 2.86Å; D588-R591 WeakPolarHBondContact OD2-CD 3.43Å; D588-F592 PolarHBondContact O-N 3.11Å; D588-F592 VanDerWaalsContact O-N 3.16Å; D588-L623 HydrophobicContact CB-CD2 3.87Å; D588-H624 IonicContact OD1-CE1 3.88Å; D588-H624 PolarHBondContact OD1-CE1 2.82Å; D588-H653 PolarHBondContact N-ND1 3.3Å; D588-H653 PolarHBondContact O-CE1 2.89Å; D588-K656 IonicContact OD2-NZ 3.46Å; D588-K656 PolarHBondContact OD2-NZ 3.09Å
589M98.6Very high95.2Very high0 Ų011.3 Ų11.30%05%0.053CC..THydrogen-bonded Turntrans-80.5-2-177.3-55-55.5-54.500112.9L564 L586 F592 Y605 L617 Y620 S621L564-M589 HydrophobicContact CD1-CG 4.14Å; L564-M589 HydrophobicContact CD1-SD 3.67Å; L564-M589 HydrophobicContact CD2-CE 3.93Å; L564-M589 HydrophobicContact CD2-SD 3.84Å; L564-M589 HydrophobicContact CG-SD 4.34Å; L586-M589 HydrophobicContact CB-SD 4.47Å; L586-M589 HydrophobicContact CD2-CE 3.77Å; L586-M589 HydrophobicContact CD2-SD 3.7Å; L586-M589 HydrophobicContact CG-SD 3.99Å; M589-F592 HydrophobicContact CE-CD1 4.24Å; M589-F592 HydrophobicContact CE-CE1 4.38Å; M589-F592 VanDerWaalsContact O-CD1 3.32Å; M589-F592 WeakPolarHBondContact O-CD1 3.47Å; M589-F592 WeakPolarHBondContact O-CE1 3.36Å; M589-Y605 HydrophobicContact CE-CD1 3.73Å; M589-Y605 HydrophobicContact CE-CD2 3.8Å; M589-Y605 HydrophobicContact CE-CE1 4.06Å; M589-Y605 HydrophobicContact CE-CE2 4.14Å; M589-Y605 HydrophobicContact CE-CG 3.59Å; M589-L617 HydrophobicContact CB-CB 4.37Å; M589-L617 HydrophobicContact CB-CD2 3.85Å; M589-L617 HydrophobicContact CE-CD2 4.09Å; M589-Y620 HydrophobicContact CE-CE2 4Å; M589-Y620 HydrophobicContact CG-CD2 4.31Å; M589-Y620 HydrophobicContact CG-CE2 3.79Å; M589-Y620 HydrophobicContact SD-CE2 4.28Å; M589-S621 WeakPolarHBondContact CB-OG 3.37Å; M589-S621 PolarHBondContact N-OG 2.86Å
590L98.3Very high94.8Very high2 Ų211.6 Ų11.61%0.016%0.056CC..THydrogen-bonded Turntrans-98.6-16.8178.5-55.5-174.8000112.4F21 I26 D588 P608 F614 L617 I618 H624F21-L590 HydrophobicContact CE1-CB 4.45Å; F21-L590 HydrophobicContact CE2-CB 4.31Å; F21-L590 HydrophobicContact CE2-CD1 4.21Å; F21-L590 HydrophobicContact CZ-CB 3.91Å; I26-L590 HydrophobicContact CG1-CD1 4.25Å; I26-L590 HydrophobicContact CG2-CD1 4.02Å; D588-L590 PolarHBondContact O-N 2.84Å; D588-L590 PolarHBondContact OD1-N 3.35Å; L590-P608 WeakPolarHBondContact O-CB 3.4Å; L590-P608 VanDerWaalsContact O-CG 3.31Å; L590-P608 WeakPolarHBondContact O-CG 3.43Å; L590-F614 HydrophobicContact CD1-CE2 4.17Å; L590-F614 HydrophobicContact CD2-CD2 3.86Å; L590-F614 HydrophobicContact CD2-CE2 3.98Å; L590-L617 HydrophobicContact CD2-CB 4.07Å; L590-I618 HydrophobicContact CD1-CD1 3.81Å; L590-I618 HydrophobicContact CD2-CD1 4.47Å; L590-H624 WeakPolarHBondContact CD1-CE1 3.34Å; L590-H624 VanDerWaalsContact CG-CE1 3.45Å; L590-H624 WeakPolarHBondContact CG-CE1 3.46Å
591R97.2Very high94.6Very high23 Ų2312.4 Ų12.49%0.0876%0.058CC..THydrogen-bonded Turntrans-126.7-5.2-177.5-60.6178.358.574.84.4114.7D19 D28 R31 E34 D588 N593 K594 F595D19-R591 IonicContact OD2-NH1 2.89Å; D19-R591 PolarHBondContact OD2-NH1 2.91Å; D19-R591 VanDerWaalsContact OD2-NH1 3.17Å; D28-R591 WeakPolarHBondContact OD2-CD 3.35Å; D28-R591 IonicContact OD2-NE 2.9Å; R31-R591 VanDerWaalsContact NE-CZ 3.34Å; E34-R591 IonicContact OE1-CZ 2.66Å; E34-R591 IonicContact OE1-NE 3.95Å; E34-R591 PolarHBondContact OE1-NE 2.92Å; E34-R591 IonicContact OE1-NH2 3.68Å; E34-R591 IonicContact OE2-CZ 3.6Å; E34-R591 IonicContact OE2-NE 3.55Å; E34-R591 PolarHBondContact OE2-NE 2.99Å; E34-R591 IonicContact OE2-NH2 3.74Å; E34-R591 PolarHBondContact OE2-NH2 3.4Å; D588-R591 PolarHBondContact OD1-N 2.86Å; D588-R591 WeakPolarHBondContact OD2-CD 3.43Å; R591-N593 PolarHBondContact O-N 3.31Å; R591-K594 HydrophobicContact CB-CD 4.32Å; R591-K594 HydrophobicContact CG-CD 4.44Å; R591-K594 VanDerWaalsContact O-CB 3.32Å; R591-K594 WeakPolarHBondContact O-CB 3.34Å; R591-K594 PolarHBondContact O-N 3.06Å; R591-F595 HydrophobicContact CB-CE2 3.99Å; R591-F595 HydrophobicContact CB-CZ 4.35Å; R591-F595 WeakPolarHBondContact O-CD2 3.29Å; R591-F595 VanDerWaalsContact O-CE2 3.22Å; R591-F595 WeakPolarHBondContact O-CE2 3.37Å
592F95.9Very high94.4Very high1 Ų113.6 Ų13.60%0.0047%0.066CC..G310 helixtrans-48.6-36.9-178.874.7-89.3000113.2L586 D588 M589 K594 F595 G598 W601 T602 Y605 G606 P608 L617L586-F592 HydrophobicContact CD1-CB 3.98Å; L586-F592 HydrophobicContact CD2-CB 4Å; L586-F592 HydrophobicContact CD2-CG 4.2Å; L586-F592 HydrophobicContact CG-CB 4.24Å; D588-F592 PolarHBondContact O-N 3.11Å; D588-F592 VanDerWaalsContact O-N 3.16Å; M589-F592 HydrophobicContact CE-CD1 4.24Å; M589-F592 HydrophobicContact CE-CE1 4.38Å; M589-F592 VanDerWaalsContact O-CD1 3.32Å; M589-F592 WeakPolarHBondContact O-CD1 3.47Å; M589-F592 WeakPolarHBondContact O-CE1 3.36Å; F592-K594 PolarHBondContact O-N 3.15Å; F592-K594 VanDerWaalsContact O-N 3.15Å; F592-F595 PolarHBondContact O-N 3.07Å; F592-G598 VanDerWaalsContact CD2-O 3.24Å; F592-G598 WeakPolarHBondContact CD2-O 3.49Å; F592-G598 WeakPolarHBondContact CE2-O 3.49Å; F592-G598 WeakPolarHBondContact O-CA 3.34Å; F592-W601 HydrophobicContact CB-CE3 4.47Å; F592-W601 HydrophobicContact CB-CZ3 4.39Å; F592-W601 HydrophobicContact CD2-CB 4.3Å; F592-W601 AromaticContact CD2-CE3 3.66Å; F592-W601 HydrophobicContact CD2-CE3 3.66Å; F592-W601 HydrophobicContact CD2-CZ3 4.32Å; F592-W601 HydrophobicContact CE2-CB 3.9Å; F592-W601 HydrophobicContact CE2-CE3 4.4Å; F592-W601 HydrophobicContact CG-CE3 4.43Å; F592-T602 HydrophobicContact CE2-CG2 4.1Å; F592-T602 HydrophobicContact CZ-CG2 4.05Å; F592-Y605 HydrophobicContact CD2-CD2 4.41Å; F592-Y605 HydrophobicContact CE1-CD2 4.44Å; F592-Y605 AromaticContact CE2-CD2 3.99Å; F592-Y605 HydrophobicContact CE2-CD2 3.99Å; F592-Y605 AromaticContact CZ-CD2 3.99Å; F592-Y605 HydrophobicContact CZ-CD2 3.99Å; F592-Y605 HydrophobicContact CZ-CG 4.42Å; F592-G606 WeakPolarHBondContact CZ-O 3.22Å; F592-P608 HydrophobicContact CE1-CG 4.28Å; F592-L617 HydrophobicContact CE1-CD2 4.45Å
593N92.8Very high94.2Very high8 Ų815 Ų154%0.0438%0.075CC..G310 helixtrans-74.31.5-178.273.7-39000114.8R591 Q599 T602 D607R591-N593 PolarHBondContact O-N 3.31Å; N593-Q599 PolarHBondContact ND2-OE1 3.41Å; N593-T602 HydrophobicContact CB-CG2 3.87Å; N593-D607 PolarHBondContact ND2-OD1 2.83Å
594K90.9Very high94.1Very high85 Ų8513.6 Ų13.637%0.377%0.068SC..G310 helixtrans-94.6-11.9177.1-63.3-176.8-179.9-69.10113.5R591 F592R591-K594 HydrophobicContact CB-CD 4.32Å; R591-K594 HydrophobicContact CG-CD 4.44Å; R591-K594 VanDerWaalsContact O-CB 3.32Å; R591-K594 WeakPolarHBondContact O-CB 3.34Å; R591-K594 PolarHBondContact O-N 3.06Å; F592-K594 PolarHBondContact O-N 3.15Å; F592-K594 VanDerWaalsContact O-N 3.15Å
595F89.4Confident94.2Very high19 Ų1913.1 Ų13.18%0.0837%0.065CC..SBendtrans-117.2135.3-173.4-45.6-69.9000110.7E34 F203 R591 F592 I597 G598 V650E34-F595 HydrophobicContact CB-CE1 4.32Å; E34-F595 VanDerWaalsContact CD-CZ 3.41Å; E34-F595 HydrophobicContact CG-CE1 4.29Å; E34-F595 HydrophobicContact CG-CZ 4.01Å; E34-F595 WeakPolarHBondContact OE2-CZ 3.48Å; F203-F595 WeakPolarHBondContact O-CA 3.03Å; R591-F595 HydrophobicContact CB-CE2 3.99Å; R591-F595 HydrophobicContact CB-CZ 4.35Å; R591-F595 WeakPolarHBondContact O-CD2 3.29Å; R591-F595 VanDerWaalsContact O-CE2 3.22Å; R591-F595 WeakPolarHBondContact O-CE2 3.37Å; F592-F595 PolarHBondContact O-N 3.07Å; F595-I597 PolarHBondContact O-N 3.15Å; F595-G598 WeakPolarHBondContact O-CA 3.38Å; F595-G598 PolarHBondContact O-N 3.17Å; F595-V650 HydrophobicContact CB-CB 4.45Å; F595-V650 HydrophobicContact CB-CG1 3.89Å; F595-V650 HydrophobicContact CB-CG2 3.69Å; F595-V650 HydrophobicContact CD1-CG2 4.45Å; F595-V650 HydrophobicContact CD2-CG2 3.77Å; F595-V650 HydrophobicContact CG-CG2 3.71Å
596T86Confident94.1Very high16 Ų1613.2 Ų13.210%0.0987%0.065CC..G310 helixtrans40.7-127.4173.867.70000112.7F203 N205 K206 G598 D647 V650F203-T596 HydrophobicContact CB-CG2 4.28Å; F203-T596 HydrophobicContact CD1-CG2 3.9Å; F203-T596 PolarHBondContact O-N 3.09Å; N205-T596 WeakPolarHBondContact O-CA 3.48Å; K206-T596 WeakPolarHBondContact CA-O 3.34Å; T596-G598 PolarHBondContact O-N 3.04Å; T596-D647 WeakPolarHBondContact CB-O 3.4Å; T596-D647 WeakPolarHBondContact CG2-O 3.45Å; T596-D647 PolarHBondContact OG1-O 3.47Å; T596-V650 HydrophobicContact CG2-CG1 3.94Å
597I86.9Confident94.1Very high17 Ų1714 Ų149%0.0877%0.069CC..G310 helixtrans-82.25.7-179.7-157.555.3000113.4Y175 L237 F595 Q599 A600 W601Y175-I597 HydrophobicContact CD2-CD1 4.01Å; Y175-I597 HydrophobicContact CD2-CG1 4.28Å; Y175-I597 HydrophobicContact CE2-CB 3.79Å; Y175-I597 HydrophobicContact CE2-CD1 3.54Å; Y175-I597 HydrophobicContact CE2-CG1 3.5Å; Y175-I597 VanDerWaalsContact CE2-CG1 3.5Å; Y175-I597 HydrophobicContact CE2-CG2 4.49Å; Y175-I597 WeakPolarHBondContact OH-CB 3.37Å; Y175-I597 VanDerWaalsContact OH-CG2 3.31Å; Y175-I597 WeakPolarHBondContact OH-CG2 3.29Å; L237-I597 HydrophobicContact CD1-CD1 4.24Å; L237-I597 HydrophobicContact CD2-CD1 4.47Å; F595-I597 PolarHBondContact O-N 3.15Å; I597-Q599 PolarHBondContact O-N 3.13Å; I597-Q599 VanDerWaalsContact O-N 3.09Å; I597-A600 HydrophobicContact CD1-CB 4.16Å; I597-A600 HydrophobicContact CG1-CB 3.97Å; I597-A600 WeakPolarHBondContact O-CB 3.3Å; I597-A600 PolarHBondContact O-N 3.4Å; I597-W601 HydrophobicContact CG2-CZ2 3.76Å
598G91.4Very high94Very high0 Ų014 Ų140%07%0.07CC..G310 helixtrans-58.9-27-175.100000113.6F592 F595 T596 A600 W601F592-G598 VanDerWaalsContact CD2-O 3.24Å; F592-G598 WeakPolarHBondContact CD2-O 3.49Å; F592-G598 WeakPolarHBondContact CE2-O 3.49Å; F592-G598 WeakPolarHBondContact O-CA 3.34Å; F595-G598 WeakPolarHBondContact O-CA 3.38Å; F595-G598 PolarHBondContact O-N 3.17Å; T596-G598 PolarHBondContact O-N 3.04Å; G598-A600 PolarHBondContact O-N 2.89Å; G598-W601 PolarHBondContact O-N 2.78Å; G598-W601 VanDerWaalsContact O-N 3.1Å
599Q90.2Very high93.8Very high16 Ų1620.6 Ų20.68%0.0759%0.094CC..G310 helixtrans-57.9-34173.717857.424.100112.3D235 N593 I597 W601 T602D235-Q599 VanDerWaalsContact OD1-CG 3.22Å; D235-Q599 WeakPolarHBondContact OD1-CG 3.48Å; D235-Q599 PolarHBondContact OD2-NE2 3.43Å; N593-Q599 PolarHBondContact ND2-OE1 3.41Å; I597-Q599 PolarHBondContact O-N 3.13Å; I597-Q599 VanDerWaalsContact O-N 3.09Å; Q599-W601 PolarHBondContact O-N 3.2Å; Q599-T602 WeakPolarHBondContact O-CB 3.42Å; Q599-T602 VanDerWaalsContact O-CG2 3.32Å; Q599-T602 WeakPolarHBondContact O-CG2 3.41Å; Q599-T602 PolarHBondContact O-N 3.44Å; Q599-T602 PolarHBondContact O-OG1 3Å
600A89.1Confident93.7Very high6 Ų624.2 Ų24.25%0.0511%0.114CC..G310 helixtrans-61.9-26177.900000113.2G256 C257 I597 G598 T602 T603G256-A600 WeakPolarHBondContact CA-O 3.47Å; C257-A600 PolarHBondContact N-O 3.41Å; I597-A600 HydrophobicContact CD1-CB 4.16Å; I597-A600 HydrophobicContact CG1-CB 3.97Å; I597-A600 WeakPolarHBondContact O-CB 3.3Å; I597-A600 PolarHBondContact O-N 3.4Å; G598-A600 PolarHBondContact O-N 2.89Å; A600-T602 VanDerWaalsContact C-N 3.31Å; A600-T602 PolarHBondContact O-N 3.46Å; A600-T603 PolarHBondContact O-OG1 2.71Å; A600-T603 VanDerWaalsContact O-OG1 3.04Å
601W95Very high93.6Very high19 Ų1928 Ų287%0.07214%0.139CC..G310 helixtrans-84.5-3.8-176.1-44.4-27000113.7C257 F482 L586 F592 I597 G598 Q599 T603 E604 Y605 R648 V649C257-W601 VanDerWaalsContact SG-CD1 3.6Å; F482-W601 HydrophobicContact CE1-CB 4.01Å; F482-W601 AromaticContact CE1-CD1 3.87Å; F482-W601 HydrophobicContact CE1-CG 4.06Å; F482-W601 HydrophobicContact CZ-CB 3.92Å; F482-W601 AromaticContact CZ-CG 3.91Å; F482-W601 HydrophobicContact CZ-CG 3.91Å; L586-W601 HydrophobicContact CD1-CE3 4.11Å; L586-W601 HydrophobicContact CD1-CH2 4.2Å; L586-W601 HydrophobicContact CD1-CZ3 3.39Å; L586-W601 HydrophobicContact CD2-CE3 3.93Å; L586-W601 HydrophobicContact CD2-CZ3 4.08Å; L586-W601 HydrophobicContact CG-CZ3 4.4Å; F592-W601 HydrophobicContact CB-CE3 4.47Å; F592-W601 HydrophobicContact CB-CZ3 4.39Å; F592-W601 HydrophobicContact CD2-CB 4.3Å; F592-W601 AromaticContact CD2-CE3 3.66Å; F592-W601 HydrophobicContact CD2-CE3 3.66Å; F592-W601 HydrophobicContact CD2-CZ3 4.32Å; F592-W601 HydrophobicContact CE2-CB 3.9Å; F592-W601 HydrophobicContact CE2-CE3 4.4Å; F592-W601 HydrophobicContact CG-CE3 4.43Å; I597-W601 HydrophobicContact CG2-CZ2 3.76Å; G598-W601 PolarHBondContact O-N 2.78Å; G598-W601 VanDerWaalsContact O-N 3.1Å; Q599-W601 PolarHBondContact O-N 3.2Å; W601-T603 PolarHBondContact O-N 3.1Å; W601-T603 VanDerWaalsContact O-N 3.14Å; W601-E604 WeakPolarHBondContact O-CA 3.5Å; W601-E604 WeakPolarHBondContact O-CB 3.41Å; W601-E604 PolarHBondContact O-N 3.04Å; W601-Y605 HydrophobicContact CB-CD2 3.69Å; W601-Y605 HydrophobicContact CB-CE2 3.74Å; W601-Y605 HydrophobicContact CE3-CE2 4.32Å; W601-Y605 HydrophobicContact CG-CE2 4.39Å; W601-Y605 WeakPolarHBondContact O-CD2 3.44Å; W601-Y605 PolarHBondContact O-N 2.87Å; W601-R648 WeakPolarHBondContact CH2-O 3.41Å; W601-R648 HydrophobicContact CZ2-CG 4.39Å; W601-R648 WeakPolarHBondContact CZ2-O 3.36Å; W601-V649 HydrophobicContact CH2-CG2 3.8Å; W601-V649 HydrophobicContact CZ2-CG2 4.32Å
602T95.1Very high93.6Very high24 Ų2430.7 Ų30.715%0.14716%0.16CC..Hα-helixtrans-58.6-24.6173.754.80000112.2F592 N593 Q599 A600 E604 G606 D607F592-T602 HydrophobicContact CE2-CG2 4.1Å; F592-T602 HydrophobicContact CZ-CG2 4.05Å; N593-T602 HydrophobicContact CB-CG2 3.87Å; Q599-T602 WeakPolarHBondContact O-CB 3.42Å; Q599-T602 VanDerWaalsContact O-CG2 3.32Å; Q599-T602 WeakPolarHBondContact O-CG2 3.41Å; Q599-T602 PolarHBondContact O-N 3.44Å; Q599-T602 PolarHBondContact O-OG1 3Å; A600-T602 VanDerWaalsContact C-N 3.31Å; A600-T602 PolarHBondContact O-N 3.46Å; T602-E604 VanDerWaalsContact C-N 3.26Å; T602-E604 PolarHBondContact O-N 2.81Å; T602-G606 WeakPolarHBondContact O-CA 3.5Å; T602-G606 PolarHBondContact O-N 2.81Å; T602-D607 HydrophobicContact CG2-CB 4.1Å
603T93.7Very high93.7Very high31 Ų3131.9 Ų31.919%0.1917%0.167CC..Hα-helixtrans-69.3-21.117357.10000114.2K255 C257 A258 A600 W601K255-T603 WeakPolarHBondContact O-CG2 3.4Å; C257-T603 PolarHBondContact N-OG1 2.79Å; A258-T603 HydrophobicContact CB-CG2 4.13Å; A258-T603 PolarHBondContact N-OG1 2.87Å; A600-T603 PolarHBondContact O-OG1 2.71Å; A600-T603 VanDerWaalsContact O-OG1 3.04Å; W601-T603 PolarHBondContact O-N 3.1Å; W601-T603 VanDerWaalsContact O-N 3.14Å
604E96.8Very high94Very high1 Ų131.9 Ų31.91%0.00517%0.166CC..Hα-helixtrans-97.5-42.2176.4179.467.2-162.900111.5G481 F482 H521 K525 L526 K529 W601 T602G481-E604 WeakPolarHBondContact CA-OE1 3.45Å; F482-E604 HydrophobicContact CD1-CB 3.97Å; F482-E604 HydrophobicContact CD1-CG 4.11Å; F482-E604 HydrophobicContact CD2-CG 4.15Å; F482-E604 HydrophobicContact CE1-CB 3.57Å; F482-E604 HydrophobicContact CE1-CG 3.9Å; F482-E604 HydrophobicContact CE2-CB 4.47Å; F482-E604 HydrophobicContact CE2-CG 3.92Å; F482-E604 HydrophobicContact CG-CG 4.25Å; F482-E604 HydrophobicContact CZ-CB 3.86Å; F482-E604 HydrophobicContact CZ-CG 3.81Å; F482-E604 VanDerWaalsContact N-CD 3.27Å; F482-E604 PolarHBondContact N-OE1 3.33Å; F482-E604 PolarHBondContact N-OE2 3.01Å; F482-E604 VanDerWaalsContact N-OE2 3.08Å; H521-E604 IonicContact CD2-OE2 3.86Å; H521-E604 IonicContact CE1-OE2 3.58Å; H521-E604 IonicContact NE2-OE2 2.78Å; H521-E604 PolarHBondContact NE2-OE2 2.85Å; K525-E604 WeakPolarHBondContact CB-O 3.33Å; L526-E604 PolarHBondContact N-O 3.23Å; K529-E604 IonicContact NZ-OE1 3.74Å; K529-E604 PolarHBondContact NZ-OE1 3.1Å; W601-E604 WeakPolarHBondContact O-CA 3.5Å; W601-E604 WeakPolarHBondContact O-CB 3.41Å; W601-E604 PolarHBondContact O-N 3.04Å; T602-E604 VanDerWaalsContact C-N 3.26Å; T602-E604 PolarHBondContact O-N 2.81Å
605Y97.9Very high94.3Very high4 Ų430.2 Ų30.22%0.01617%0.169CC..Hα-helixtrans-102.4-27.7-170.2-59.5-52.3000114.4F482 N561 L564 L586 M589 F592 W601F482-Y605 HydrophobicContact CE2-CE2 4.25Å; F482-Y605 AromaticContact CE2-CZ 3.85Å; F482-Y605 WeakPolarHBondContact CE2-OH 3.28Å; F482-Y605 AromaticContact CZ-CE2 3.77Å; F482-Y605 HydrophobicContact CZ-CE2 3.77Å; F482-Y605 AromaticContact CZ-CZ 3.85Å; N561-Y605 WeakPolarHBondContact CB-OH 3.4Å; N561-Y605 WeakPolarHBondContact OD1-CE1 3.47Å; N561-Y605 PolarHBondContact OD1-OH 2.81Å; L564-Y605 HydrophobicContact CD2-CD1 4.37Å; L564-Y605 HydrophobicContact CD2-CE1 3.6Å; L586-Y605 HydrophobicContact CD2-CD2 4.17Å; L586-Y605 HydrophobicContact CD2-CE2 3.52Å; M589-Y605 HydrophobicContact CE-CD1 3.73Å; M589-Y605 HydrophobicContact CE-CD2 3.8Å; M589-Y605 HydrophobicContact CE-CE1 4.06Å; M589-Y605 HydrophobicContact CE-CE2 4.14Å; M589-Y605 HydrophobicContact CE-CG 3.59Å; F592-Y605 HydrophobicContact CD2-CD2 4.41Å; F592-Y605 HydrophobicContact CE1-CD2 4.44Å; F592-Y605 AromaticContact CE2-CD2 3.99Å; F592-Y605 HydrophobicContact CE2-CD2 3.99Å; F592-Y605 AromaticContact CZ-CD2 3.99Å; F592-Y605 HydrophobicContact CZ-CD2 3.99Å; F592-Y605 HydrophobicContact CZ-CG 4.42Å; W601-Y605 HydrophobicContact CB-CD2 3.69Å; W601-Y605 HydrophobicContact CB-CE2 3.74Å; W601-Y605 HydrophobicContact CE3-CE2 4.32Å; W601-Y605 HydrophobicContact CG-CE2 4.39Å; W601-Y605 WeakPolarHBondContact O-CD2 3.44Å; W601-Y605 PolarHBondContact O-N 2.87Å
606G97Very high94.7Very high1 Ų130.5 Ų30.51%0.0117%0.171CC..  trans98.5164.5-166.100000111F592 T602 D613F592-G606 WeakPolarHBondContact CZ-O 3.22Å; T602-G606 WeakPolarHBondContact O-CA 3.5Å; T602-G606 PolarHBondContact O-N 2.81Å; G606-D613 WeakPolarHBondContact CA-OD2 3.3Å
607D95.7Very high95.3Very high18 Ų1829.8 Ų29.810%0.09617%0.167CC..  trans-102.7119.4178.4-173.3-21000110.4N593 T602 R609 N610 D613N593-D607 PolarHBondContact ND2-OD1 2.83Å; T602-D607 HydrophobicContact CG2-CB 4.1Å; D607-R609 VanDerWaalsContact CG-NE 3.33Å; D607-R609 PolarHBondContact O-N 2.91Å; D607-R609 VanDerWaalsContact OD1-CB 3.27Å; D607-R609 WeakPolarHBondContact OD1-CB 3.47Å; D607-R609 VanDerWaalsContact OD1-CG 3.3Å; D607-R609 WeakPolarHBondContact OD1-CG 3.27Å; D607-R609 IonicContact OD1-CZ 3.7Å; D607-R609 PolarHBondContact OD1-N 3.37Å; D607-R609 IonicContact OD1-NE 3.76Å; D607-R609 PolarHBondContact OD1-NE 2.69Å; D607-R609 IonicContact OD1-NH2 2.75Å; D607-R609 IonicContact OD2-CZ 2.71Å; D607-R609 IonicContact OD2-NE 2.74Å; D607-R609 PolarHBondContact OD2-NE 2.82Å; D607-R609 IonicContact OD2-NH2 3.33Å; D607-R609 PolarHBondContact OD2-NH2 2.83Å; D607-N610 WeakPolarHBondContact O-CB 3.48Å; D607-N610 PolarHBondContact O-N 2.86Å; D607-D613 PolarHBondContact N-OD2 2.87Å; D607-D613 VanDerWaalsContact O-CB 3.23Å; D607-D613 WeakPolarHBondContact O-CB 3.43Å
608P96.5Very high95.8Very high1 Ų130.6 Ų30.61%0.00617%0.171CC..THydrogen-bonded Turntrans-52.6-22.4176.8-22.428000114.7F21 H22 L590 F592 N610 L617F21-P608 HydrophobicContact CD1-CB 4.34Å; F21-P608 HydrophobicContact CE1-CB 3.79Å; H22-P608 PolarHBondContact NE2-O 2.82Å; H22-P608 VanDerWaalsContact NE2-O 3.14Å; L590-P608 WeakPolarHBondContact O-CB 3.4Å; L590-P608 VanDerWaalsContact O-CG 3.31Å; L590-P608 WeakPolarHBondContact O-CG 3.43Å; F592-P608 HydrophobicContact CE1-CG 4.28Å; P608-N610 PolarHBondContact O-N 3.19Å; P608-L617 HydrophobicContact CB-CD1 4.36Å; P608-L617 HydrophobicContact CG-CD1 3.85Å
609R95.1Very high96.1Very high141 Ų14136.7 Ų36.753%0.53220%0.199SC..THydrogen-bonded Turntrans-70.6-15174.5-60.9175.7-69.2-174.4-2.7113.2H22 D607H22-R609 PolarHBondContact CE1-O 3.3Å; D607-R609 VanDerWaalsContact CG-NE 3.33Å; D607-R609 PolarHBondContact O-N 2.91Å; D607-R609 VanDerWaalsContact OD1-CB 3.27Å; D607-R609 WeakPolarHBondContact OD1-CB 3.47Å; D607-R609 VanDerWaalsContact OD1-CG 3.3Å; D607-R609 WeakPolarHBondContact OD1-CG 3.27Å; D607-R609 IonicContact OD1-CZ 3.7Å; D607-R609 PolarHBondContact OD1-N 3.37Å; D607-R609 IonicContact OD1-NE 3.76Å; D607-R609 PolarHBondContact OD1-NE 2.69Å; D607-R609 IonicContact OD1-NH2 2.75Å; D607-R609 IonicContact OD2-CZ 2.71Å; D607-R609 IonicContact OD2-NE 2.74Å; D607-R609 PolarHBondContact OD2-NE 2.82Å; D607-R609 IonicContact OD2-NH2 3.33Å; D607-R609 PolarHBondContact OD2-NH2 2.83Å
610N96.8Very high96.5Very high76 Ų7636 Ų3641%0.40620%0.196SC..SBendtrans-94.6133.2173.7-63.8-33.4000110.2D607 P608 S612 D613 F614D607-N610 WeakPolarHBondContact O-CB 3.48Å; D607-N610 PolarHBondContact O-N 2.86Å; P608-N610 PolarHBondContact O-N 3.19Å; N610-S612 PolarHBondContact O-N 3.35Å; N610-D613 HydrophobicContact CB-CB 4.05Å; N610-D613 PolarHBondContact ND2-OD2 2.96Å; N610-D613 PolarHBondContact O-N 3.41Å; N610-F614 WeakPolarHBondContact O-CB 3.37Å; N610-F614 PolarHBondContact O-N 3.33Å
611P97Very high97Very high82 Ų8235.8 Ų35.853%0.53219%0.194SC..Hα-helixtrans-58.3-42.6-177.5-24.230000114.7A615P611-A615 WeakPolarHBondContact O-CB 3.47Å; P611-A615 PolarHBondContact O-N 3.38Å
612S96.5Very high97.1Very high78 Ų7834.9 Ų34.955%0.54519%0.19SC..Hα-helixtrans-68-39.4-179.4540000112.6N610 A615 N616N610-S612 PolarHBondContact O-N 3.35Å; S612-A615 PolarHBondContact O-N 3.04Å; S612-N616 PolarHBondContact O-N 2.84Å
613D97.7Very high97.3Very high26 Ų2634.3 Ų34.314%0.13919%0.186CC..Hα-helixtrans-71.6-44.7-179.2-64.2-10.9000109.5G606 D607 N610 A615 N616 L617G606-D613 WeakPolarHBondContact CA-OD2 3.3Å; D607-D613 PolarHBondContact N-OD2 2.87Å; D607-D613 VanDerWaalsContact O-CB 3.23Å; D607-D613 WeakPolarHBondContact O-CB 3.43Å; N610-D613 HydrophobicContact CB-CB 4.05Å; N610-D613 PolarHBondContact ND2-OD2 2.96Å; N610-D613 PolarHBondContact O-N 3.41Å; D613-A615 VanDerWaalsContact C-N 3.32Å; D613-A615 PolarHBondContact O-N 3.17Å; D613-N616 WeakPolarHBondContact O-CB 3.3Å; D613-N616 PolarHBondContact O-N 2.89Å; D613-N616 VanDerWaalsContact O-N 3.11Å; D613-L617 HydrophobicContact CB-CD1 4.38Å; D613-L617 WeakPolarHBondContact O-CB 3.36Å; D613-L617 WeakPolarHBondContact O-CD1 3.44Å; D613-L617 WeakPolarHBondContact O-CG 3.27Å; D613-L617 PolarHBondContact O-N 3.08Å
614F98.2Very high97.5Very high8 Ų835.2 Ų35.24%0.03519%0.188CC..Hα-helixtrans-52.9-49.6171.1169.1-99000111.8F21 H22 I24 I26 L590 N610 N616 L617 I618F21-F614 HydrophobicContact CB-CD1 4.35Å; F21-F614 HydrophobicContact CB-CD2 3.54Å; F21-F614 HydrophobicContact CB-CE1 4.13Å; F21-F614 HydrophobicContact CB-CE2 3.27Å; F21-F614 HydrophobicContact CB-CG 4.08Å; F21-F614 HydrophobicContact CB-CZ 3.59Å; F21-F614 AromaticContact CD1-CD2 3.74Å; F21-F614 HydrophobicContact CD1-CD2 3.74Å; F21-F614 HydrophobicContact CD1-CE2 4.05Å; F21-F614 HydrophobicContact CD2-CE2 4.01Å; F21-F614 AromaticContact CG-CD2 3.7Å; F21-F614 HydrophobicContact CG-CD2 3.7Å; F21-F614 AromaticContact CG-CE2 3.53Å; F21-F614 HydrophobicContact CG-CE2 3.53Å; F21-F614 HydrophobicContact CG-CZ 4.32Å; H22-F614 AromaticContact CD2-CD1 3.84Å; H22-F614 AromaticContact CD2-CG 3.79Å; I24-F614 HydrophobicContact CB-CE1 4.46Å; I24-F614 HydrophobicContact CB-CZ 4.38Å; I24-F614 HydrophobicContact CD1-CE1 3.76Å; I24-F614 HydrophobicContact CD1-CZ 4.41Å; I24-F614 HydrophobicContact CG2-CZ 4.42Å; I26-F614 HydrophobicContact CD1-CZ 4.44Å; I26-F614 HydrophobicContact CG1-CE2 4.39Å; I26-F614 HydrophobicContact CG1-CZ 4.39Å; L590-F614 HydrophobicContact CD1-CE2 4.17Å; L590-F614 HydrophobicContact CD2-CD2 3.86Å; L590-F614 HydrophobicContact CD2-CE2 3.98Å; N610-F614 WeakPolarHBondContact O-CB 3.37Å; N610-F614 PolarHBondContact O-N 3.33Å; F614-N616 PolarHBondContact O-N 3.01Å; F614-L617 PolarHBondContact O-N 3Å; F614-I618 HydrophobicContact CE2-CB 4.35Å; F614-I618 HydrophobicContact CZ-CB 4.3Å; F614-I618 HydrophobicContact CZ-CG1 4.38Å; F614-I618 WeakPolarHBondContact O-CG2 3.02Å; F614-I618 PolarHBondContact O-N 2.82Å
615A97.6Very high97.6Very high50 Ų5036.4 Ų36.441%0.41320%0.195SC..Hα-helixtrans-60.5-29.1-179.200000112.9P611 S612 D613 Q619P611-A615 WeakPolarHBondContact O-CB 3.47Å; P611-A615 PolarHBondContact O-N 3.38Å; S612-A615 PolarHBondContact O-N 3.04Å; D613-A615 VanDerWaalsContact C-N 3.32Å; D613-A615 PolarHBondContact O-N 3.17Å; A615-Q619 VanDerWaalsContact O-CG 3.32Å; A615-Q619 WeakPolarHBondContact O-CG 3.3Å
616N97.8Very high97.4Very high26 Ų2636.9 Ų36.914%0.13920%0.198CC..Hα-helixtrans-79.7-48.9172.9-179.663.9000112L526 S612 D613 F614 I618 Q619 Y620L526-N616 PolarHBondContact O-ND2 2.79Å; S612-N616 PolarHBondContact O-N 2.84Å; D613-N616 WeakPolarHBondContact O-CB 3.3Å; D613-N616 PolarHBondContact O-N 2.89Å; D613-N616 VanDerWaalsContact O-N 3.11Å; F614-N616 PolarHBondContact O-N 3.01Å; N616-I618 VanDerWaalsContact C-N 3.35Å; N616-I618 PolarHBondContact O-N 2.94Å; N616-Q619 WeakPolarHBondContact O-CB 3.47Å; N616-Q619 PolarHBondContact O-N 2.95Å; N616-Q619 VanDerWaalsContact O-N 3.14Å; N616-Y620 WeakPolarHBondContact O-CD1 3.31Å
617L98.7Very high97.1Very high0 Ų044.8 Ų44.80%023%0.228CC..Hα-helixtrans-59.3-42.5-176.8-71.8161.9000112.4M589 L590 F592 P608 D613 F614 Q619 Y620 S621M589-L617 HydrophobicContact CB-CB 4.37Å; M589-L617 HydrophobicContact CB-CD2 3.85Å; M589-L617 HydrophobicContact CE-CD2 4.09Å; L590-L617 HydrophobicContact CD2-CB 4.07Å; F592-L617 HydrophobicContact CE1-CD2 4.45Å; P608-L617 HydrophobicContact CB-CD1 4.36Å; P608-L617 HydrophobicContact CG-CD1 3.85Å; D613-L617 HydrophobicContact CB-CD1 4.38Å; D613-L617 WeakPolarHBondContact O-CB 3.36Å; D613-L617 WeakPolarHBondContact O-CD1 3.44Å; D613-L617 WeakPolarHBondContact O-CG 3.27Å; D613-L617 PolarHBondContact O-N 3.08Å; F614-L617 PolarHBondContact O-N 3Å; L617-Q619 PolarHBondContact O-N 2.86Å; L617-Y620 HydrophobicContact CD2-CE1 4.24Å; L617-Y620 VanDerWaalsContact CD2-OH 3.23Å; L617-Y620 WeakPolarHBondContact CD2-OH 3.44Å; L617-Y620 PolarHBondContact O-N 2.8Å; L617-S621 WeakPolarHBondContact O-CB 3.39Å; L617-S621 PolarHBondContact O-N 2.87Å
618I98.1Very high96.5Very high35 Ų3547.8 Ų47.818%0.17925%0.248CC..Hα-helixtrans-63.7-23.8-179.4-166.466.6000112.7I26 L590 F614 N616 Y620 H624 N625I26-I618 HydrophobicContact CD1-CD1 4.04Å; L590-I618 HydrophobicContact CD1-CD1 3.81Å; L590-I618 HydrophobicContact CD2-CD1 4.47Å; F614-I618 HydrophobicContact CE2-CB 4.35Å; F614-I618 HydrophobicContact CZ-CB 4.3Å; F614-I618 HydrophobicContact CZ-CG1 4.38Å; F614-I618 WeakPolarHBondContact O-CG2 3.02Å; F614-I618 PolarHBondContact O-N 2.82Å; N616-I618 VanDerWaalsContact C-N 3.35Å; N616-I618 PolarHBondContact O-N 2.94Å; I618-Y620 VanDerWaalsContact C-N 3.32Å; I618-Y620 PolarHBondContact O-N 2.83Å; I618-H624 HydrophobicContact CD1-CB 3.89Å; I618-N625 PolarHBondContact O-ND2 2.86Å
619Q98Very high95.8Very high127 Ų12748.5 Ų48.559%0.59325%0.253SS*.Hα-helixtrans-72.1-26.5-179.9-60.6-62-31.500113.2A615 N616 L617A615-Q619 VanDerWaalsContact O-CG 3.32Å; A615-Q619 WeakPolarHBondContact O-CG 3.3Å; N616-Q619 WeakPolarHBondContact O-CB 3.47Å; N616-Q619 PolarHBondContact O-N 2.95Å; N616-Q619 VanDerWaalsContact O-N 3.14Å; L617-Q619 PolarHBondContact O-N 2.86Å
620Y98.3Very high95.2Very high3 Ų349.6 Ų49.61%0.01226%0.262CS..Hα-helixtrans-124.9-11.8-173.975.4-102.1000114.3K529 F533 L564 T568 M589 N616 L617 I618 P622K529-Y620 HydrophobicContact CB-CE1 4.16Å; K529-Y620 HydrophobicContact CG-CE1 4.23Å; K529-Y620 HydrophobicContact CG-CE2 4.43Å; F533-Y620 HydrophobicContact CE2-CD1 4.28Å; F533-Y620 AromaticContact CE2-CD2 3.87Å; F533-Y620 HydrophobicContact CE2-CD2 3.87Å; F533-Y620 AromaticContact CE2-CG 3.7Å; F533-Y620 HydrophobicContact CE2-CG 3.7Å; F533-Y620 AromaticContact CZ-CD2 3.69Å; F533-Y620 HydrophobicContact CZ-CD2 3.69Å; F533-Y620 HydrophobicContact CZ-CE2 4.15Å; F533-Y620 HydrophobicContact CZ-CG 4.04Å; L564-Y620 HydrophobicContact CD1-CD2 4.1Å; L564-Y620 HydrophobicContact CD1-CE2 4.05Å; L564-Y620 HydrophobicContact CD2-CE2 4.1Å; T568-Y620 PolarHBondContact OG1-O 2.85Å; M589-Y620 HydrophobicContact CE-CE2 4Å; M589-Y620 HydrophobicContact CG-CD2 4.31Å; M589-Y620 HydrophobicContact CG-CE2 3.79Å; M589-Y620 HydrophobicContact SD-CE2 4.28Å; N616-Y620 WeakPolarHBondContact O-CD1 3.31Å; L617-Y620 HydrophobicContact CD2-CE1 4.24Å; L617-Y620 VanDerWaalsContact CD2-OH 3.23Å; L617-Y620 WeakPolarHBondContact CD2-OH 3.44Å; L617-Y620 PolarHBondContact O-N 2.8Å; I618-Y620 VanDerWaalsContact C-N 3.32Å; I618-Y620 PolarHBondContact O-N 2.83Å; Y620-P622 WeakPolarHBondContact O-CD 3.07Å
621S98.8Very high94.1Very high0 Ų054.9 Ų54.90%028%0.281CS..  trans-51116.9179.8-171.90000111F587 M589 L617 L623 H624 N625F587-S621 PolarHBondContact O-OG 3.34Å; M589-S621 WeakPolarHBondContact CB-OG 3.37Å; M589-S621 PolarHBondContact N-OG 2.86Å; L617-S621 WeakPolarHBondContact O-CB 3.39Å; L617-S621 PolarHBondContact O-N 2.87Å; S621-L623 PolarHBondContact O-N 3.26Å; S621-H624 WeakPolarHBondContact CB-ND1 3.38Å; S621-H624 PolarHBondContact O-N 2.89Å; S621-H624 VanDerWaalsContact O-N 3.12Å; S621-H624 PolarHBondContact OG-ND1 2.53Å; S621-N625 WeakPolarHBondContact O-CB 3.1Å; S621-N625 PolarHBondContact O-N 3.15Å; S621-N625 VanDerWaalsContact O-N 3.11Å; S621-N625 PolarHBondContact O-ND2 3.16Å
622P98.7Very high93.1Very high0 Ų058.3 Ų58.30%030%0.295CS..THydrogen-bonded Turntrans-56.1-47.8-174.9-3136.3000113.2L564 A567 N571 F587 Y620 H624 N625 V626 Y657L564-P622 VanDerWaalsContact CD1-CD 3.48Å; L564-P622 HydrophobicContact CD1-CG 3.6Å; A567-P622 HydrophobicContact CB-CB 4.05Å; A567-P622 HydrophobicContact CB-CG 4.09Å; N571-P622 PolarHBondContact ND2-O 3.15Å; F587-P622 HydrophobicContact CB-CB 4.12Å; F587-P622 HydrophobicContact CD1-CB 3.87Å; F587-P622 HydrophobicContact CD1-CG 4.07Å; F587-P622 HydrophobicContact CG-CB 4.47Å; F587-P622 WeakPolarHBondContact O-CD 3.49Å; Y620-P622 WeakPolarHBondContact O-CD 3.07Å; P622-H624 VanDerWaalsContact C-N 3.26Å; P622-H624 PolarHBondContact O-N 2.94Å; P622-N625 PolarHBondContact O-N 3.45Å; P622-N625 VanDerWaalsContact O-N 3.15Å; P622-V626 WeakPolarHBondContact O-CG2 3.12Å; P622-V626 PolarHBondContact O-N 2.76Å; P622-Y657 VanDerWaalsContact C-CE2 3.48Å; P622-Y657 HydrophobicContact CB-CD2 4.12Å; P622-Y657 HydrophobicContact CB-CE2 3.62Å; P622-Y657 WeakPolarHBondContact O-CE2 3.39Å
623L98.6Very high92.5Very high12 Ų1259 Ų596%0.06329%0.288CS..G310 helixtrans-54.3-40.7178.4179.562.1000113F587 D588 S621 K656 E660F587-L623 VanDerWaalsContact O-CB 3.27Å; F587-L623 WeakPolarHBondContact O-CB 3.41Å; F587-L623 PolarHBondContact O-N 3.42Å; D588-L623 HydrophobicContact CB-CD2 3.87Å; S621-L623 PolarHBondContact O-N 3.26Å; L623-K656 HydrophobicContact CD1-CB 4.08Å; L623-K656 WeakPolarHBondContact CD1-O 3.44Å; L623-K656 HydrophobicContact CD2-CB 4.09Å; L623-E660 HydrophobicContact CD1-CB 3.76Å; L623-E660 HydrophobicContact CD1-CG 4.29Å
624H98.4Very high92.2Very high50 Ų5060.7 Ų60.723%0.23130%0.295CS..G310 helixtrans-90.8-3.3-174.6-52.5103.4000113.5D588 L590 I618 S621 P622D588-H624 IonicContact OD1-CE1 3.88Å; D588-H624 PolarHBondContact OD1-CE1 2.82Å; L590-H624 WeakPolarHBondContact CD1-CE1 3.34Å; L590-H624 VanDerWaalsContact CG-CE1 3.45Å; L590-H624 WeakPolarHBondContact CG-CE1 3.46Å; I618-H624 HydrophobicContact CD1-CB 3.89Å; S621-H624 WeakPolarHBondContact CB-ND1 3.38Å; S621-H624 PolarHBondContact O-N 2.89Å; S621-H624 VanDerWaalsContact O-N 3.12Å; S621-H624 PolarHBondContact OG-ND1 2.53Å; P622-H624 VanDerWaalsContact C-N 3.26Å; P622-H624 PolarHBondContact O-N 2.94Å
625N97.5Very high92.1Very high27 Ų2760.9 Ų60.914%0.14430%0.296CS..G310 helixtrans-12215.5-178.3-75-81.6000113.4I618 S621 P622 R627I618-N625 PolarHBondContact O-ND2 2.86Å; S621-N625 WeakPolarHBondContact O-CB 3.1Å; S621-N625 PolarHBondContact O-N 3.15Å; S621-N625 VanDerWaalsContact O-N 3.11Å; S621-N625 PolarHBondContact O-ND2 3.16Å; P622-N625 PolarHBondContact O-N 3.45Å; P622-N625 VanDerWaalsContact O-N 3.15Å; N625-R627 PolarHBondContact O-N 3.13Å
626V95Very high92Very high14 Ų1458.6 Ų58.69%0.08528%0.277CS..  trans-63.5127.2164.4-173.50000107.9P622 Y657 E660 I661 C664P622-V626 WeakPolarHBondContact O-CG2 3.12Å; P622-V626 PolarHBondContact O-N 2.76Å; V626-Y657 HydrophobicContact CG2-CD2 3.96Å; V626-Y657 HydrophobicContact CG2-CE2 3.48Å; V626-Y657 VanDerWaalsContact CG2-CE2 3.48Å; V626-E660 HydrophobicContact CB-CG 4.21Å; V626-E660 HydrophobicContact CG2-CG 4.2Å; V626-I661 HydrophobicContact CG1-CB 4.5Å; V626-I661 HydrophobicContact CG1-CG1 3.96Å; V626-I661 HydrophobicContact CG2-CG1 3.93Å; V626-C664 HydrophobicContact CG1-CB 3.62Å; V626-C664 VanDerWaalsContact CG1-SG 3.59Å
627R90.2Very high92.1Very high166 Ų16657.3 Ų57.363%0.62627%0.27SS*.  trans-124.6142.5178.2-64.4-176.3-174.5-174.82.6109.6N625N625-R627 PolarHBondContact O-N 3.13Å
628P83.7Confident92.1Very high82 Ų8257.8 Ų57.853%0.53227%0.273SS..PPolyproline II helixtrans-54135.8171.2-24.333000109.9K630P628-K630 PolarHBondContact O-N 2.81Å
629P81.6Confident92.1Very high16 Ų1656.1 Ų56.110%0.10427%0.265CS..PPolyproline II helixtrans-58.9130.6176.6-14.124.7000109.9K633 L635 I665 H670 Q671P629-K633 WeakPolarHBondContact CB-O 3.18Å; P629-L635 HydrophobicContact CG-CG 4.4Å; P629-I665 HydrophobicContact CG-CG2 4.24Å; P629-H670 PolarHBondContact O-NE2 2.89Å; P629-Q671 HydrophobicContact CG-CB 4.42Å
630K82.6Confident92.1Very high164 Ų16450.2 Ų50.271%0.71324%0.237SC*.PPolyproline II helixtrans-73.4152175.5-67.6-176.7-179.9-179.90108.9P628 D632 K633 H670P628-K630 PolarHBondContact O-N 2.81Å; K630-D632 PolarHBondContact O-N 2.97Å; K630-D632 VanDerWaalsContact O-N 3.1Å; K630-K633 PolarHBondContact O-N 3.45Å; K630-K633 VanDerWaalsContact O-O 3.09Å; K630-H670 PolarHBondContact O-NE2 2.9Å
631K72.6Confident92.1Very high187 Ų18750.3 Ų50.381%0.81324%0.238SC*.THydrogen-bonded Turntrans-46120.9176-147.7176.5-176.9-177.20109.5
632D77.4Confident92Very high153 Ų15350.8 Ų50.882%0.81824%0.241SC*.THydrogen-bonded Turntrans80.93.6-177.1-42.1-39.7000117.5K630K630-D632 PolarHBondContact O-N 2.97Å; K630-D632 VanDerWaalsContact O-N 3.1Å
633K83.5Confident91.8Very high94 Ų9450.8 Ų50.841%0.40924%0.241SC..  trans-119.9144.9170-62.2-162.2179.3-159.40110.3D575 P629 K630 H670D575-K633 HydrophobicContact CB-CD 4.41Å; D575-K633 IonicContact OD1-NZ 3.17Å; D575-K633 IonicContact OD2-NZ 3.5Å; D575-K633 PolarHBondContact OD2-NZ 3.09Å; P629-K633 WeakPolarHBondContact CB-O 3.18Å; K630-K633 PolarHBondContact O-N 3.45Å; K630-K633 VanDerWaalsContact O-O 3.09Å; K633-H670 PolarHBondContact O-CD2 3.01Å; K633-H670 VanDerWaalsContact O-CD2 3.27Å; K633-H670 PolarHBondContact O-NE2 3.15Å
634Q91.9Very high91.4Very high60 Ų6054.3 Ų54.328%0.2826%0.257SS..  trans-123.4153.1176.8-63.2175.37.800108.7H670 N673Q634-H670 WeakPolarHBondContact CG-O 3.37Å; Q634-H670 PolarHBondContact NE2-O 2.81Å; Q634-N673 PolarHBondContact OE1-ND2 2.73Å; Q634-N673 VanDerWaalsContact OE1-ND2 3.14Å; Q634-N673 PolarHBondContact OE1-OD1 2.8Å
635L95.1Very high90.8Very high12 Ų1254.7 Ų54.76%0.06326%0.261CS..PPolyproline II helixtrans-64.2142.6160.8-66.8175.1000109.2P574 P629 I661 I665 Q671 N673 I675P574-L635 HydrophobicContact CB-CD2 4.32Å; P629-L635 HydrophobicContact CG-CG 4.4Å; L635-I661 HydrophobicContact CD1-CG2 4.03Å; L635-I665 HydrophobicContact CD1-CG2 3.91Å; L635-Q671 PolarHBondContact O-NE2 3.12Å; L635-N673 PolarHBondContact O-ND2 2.82Å; L635-I675 HydrophobicContact CB-CD1 4.24Å; L635-I675 HydrophobicContact CD1-CD1 4.12Å
636P96.6Very high90.5Very high2 Ų253.4 Ų53.41%0.01325%0.254CS..PPolyproline II helixtrans-61.9155.5174.627.5-35.7000110.8A570 F577 V580 T638A570-P636 HydrophobicContact CB-CG 3.86Å; F577-P636 HydrophobicContact CB-CB 4.23Å; F577-P636 WeakPolarHBondContact O-CB 3.35Å; V580-P636 HydrophobicContact CG2-CB 3.92Å; V580-P636 HydrophobicContact CG2-CG 3.43Å; V580-P636 VanDerWaalsContact CG2-CG 3.43Å; P636-T638 PolarHBondContact O-N 3Å; P636-T638 PolarHBondContact O-OG1 2.86Å
637A98.1Very high90.1Very high0 Ų053.7 Ų53.70%026%0.255CS..EExtended strand (participates in β ladder)trans-59.9125.6173.400000109.2R578 C579 V580 N673 P674 F704 V708R578-A637 PolarHBondContact O-N 2.74Å; C579-A637 CarbonylContact C-O 3.59Å; C579-A637 WeakPolarHBondContact CA-O 3.5Å; C579-A637 HydrophobicContact CB-CB 4.2Å; C579-A637 WeakPolarHBondContact CB-O 3.33Å; V580-A637 PolarHBondContact N-O 2.87Å; A637-N673 HydrophobicContact CB-CB 4.04Å; A637-P674 CarbonylContact C-O 3.52Å; A637-P674 WeakPolarHBondContact CA-O 3.42Å; A637-P674 HydrophobicContact CB-CG 3.93Å; A637-F704 HydrophobicContact CB-CE1 4.09Å; A637-F704 HydrophobicContact CB-CZ 3.78Å; A637-V708 HydrophobicContact CB-CB 4.19Å; A637-V708 HydrophobicContact CB-CG1 3.5Å; A637-V708 VanDerWaalsContact CB-CG1 3.5Å; A637-V708 HydrophobicContact CB-CG2 3.56Å
638T98.6Very high90Very high10 Ų1048.9 Ų48.96%0.06124%0.237CC..EExtended strand (participates in β ladder)trans-122.1132.7-170.6-61.50000110.6V580 P636 L640 P674 I675 L676V580-T638 HydrophobicContact CB-CG2 4.29Å; V580-T638 HydrophobicContact CG1-CG2 4.48Å; V580-T638 WeakPolarHBondContact O-CA 3.33Å; P636-T638 PolarHBondContact O-N 3Å; P636-T638 PolarHBondContact O-OG1 2.86Å; T638-L640 HydrophobicContact CG2-CD2 3.63Å; T638-L640 HydrophobicContact CG2-CG 4.07Å; T638-P674 PolarHBondContact N-O 2.82Å; T638-I675 CarbonylContact O-C 3.45Å; T638-I675 WeakPolarHBondContact O-CA 3.29Å; T638-L676 PolarHBondContact O-N 2.82Å
639L98.8Very high90.5Very high0 Ų045 Ų450%021%0.212CC..EExtended strand (participates in β ladder)trans-119.4111.8167.7178.763.4000108.5V580 I581 S582 L641 L676 I701 F704V580-L639 PolarHBondContact O-N 3.17Å; I581-L639 HydrophobicContact CD1-CB 3.79Å; I581-L639 HydrophobicContact CD1-CD2 4.13Å; S582-L639 PolarHBondContact N-O 3.31Å; L639-L641 HydrophobicContact CD1-CD2 4.04Å; L639-L641 HydrophobicContact CD2-CD1 4.34Å; L639-L641 HydrophobicContact CD2-CD2 3.98Å; L639-L641 HydrophobicContact CD2-CG 4.27Å; L639-L641 HydrophobicContact CG-CD2 3.87Å; L639-L641 HydrophobicContact CG-CG 4.04Å; L639-L676 WeakPolarHBondContact CA-O 3.48Å; L639-L676 HydrophobicContact CD1-CB 3.84Å; L639-I701 HydrophobicContact CD2-CG1 4.49Å; L639-F704 HydrophobicContact CB-CD1 3.88Å; L639-F704 HydrophobicContact CB-CD2 4.24Å; L639-F704 HydrophobicContact CB-CE1 3.88Å; L639-F704 HydrophobicContact CB-CE2 4.27Å; L639-F704 HydrophobicContact CB-CG 4.04Å; L639-F704 HydrophobicContact CB-CZ 4.08Å; L639-F704 HydrophobicContact CD2-CB 3.96Å; L639-F704 HydrophobicContact CD2-CD1 4.5Å; L639-F704 HydrophobicContact CD2-CG 4.12Å
640L98.8Very high91.1Very high3 Ų344.4 Ų44.42%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-91.4128.5169.7-52.1-176.3000108.6S582 F587 T638 Y657 V658 L676 A677 K678S582-L640 WeakPolarHBondContact O-CA 3.24Å; F587-L640 HydrophobicContact CZ-CD2 3.97Å; T638-L640 HydrophobicContact CG2-CD2 3.63Å; T638-L640 HydrophobicContact CG2-CG 4.07Å; L640-Y657 HydrophobicContact CD1-CD1 3.76Å; L640-Y657 HydrophobicContact CD1-CE1 4.48Å; L640-Y657 HydrophobicContact CD2-CD1 4.29Å; L640-Y657 HydrophobicContact CD2-CE1 4.37Å; L640-V658 HydrophobicContact CD1-CB 3.97Å; L640-V658 HydrophobicContact CD1-CG2 4.49Å; L640-L676 PolarHBondContact N-O 2.94Å; L640-A677 HydrophobicContact CB-CB 4.19Å; L640-A677 CarbonylContact O-C 3.58Å; L640-A677 WeakPolarHBondContact O-CA 3.27Å; L640-K678 PolarHBondContact O-N 2.59Å
641L98.3Very high91.8Very high5 Ų537 Ų373%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-118127.1176.6-60.8172.4000107.3I581 S582 Q583 V584 L639 K678 E697 I701I581-L641 HydrophobicContact CG2-CD1 4.25Å; S582-L641 PolarHBondContact O-N 3.4Å; Q583-L641 CarbonylContact C-O 3.48Å; Q583-L641 WeakPolarHBondContact CA-O 3.49Å; Q583-L641 HydrophobicContact CG-CB 4.11Å; Q583-L641 HydrophobicContact CG-CD1 3.8Å; Q583-L641 HydrophobicContact CG-CG 4.49Å; V584-L641 PolarHBondContact N-O 2.83Å; L639-L641 HydrophobicContact CD1-CD2 4.04Å; L639-L641 HydrophobicContact CD2-CD1 4.34Å; L639-L641 HydrophobicContact CD2-CD2 3.98Å; L639-L641 HydrophobicContact CD2-CG 4.27Å; L639-L641 HydrophobicContact CG-CD2 3.87Å; L639-L641 HydrophobicContact CG-CG 4.04Å; L641-K678 WeakPolarHBondContact CA-O 3.35Å; L641-K678 HydrophobicContact CD2-CB 3.87Å; L641-K678 HydrophobicContact CD2-CD 4.12Å; L641-E697 HydrophobicContact CD1-CG 3.83Å; L641-I701 HydrophobicContact CD1-CD1 3.76Å; L641-I701 HydrophobicContact CD1-CG1 3.68Å
642T97.2Very high92.9Very high9 Ų928.5 Ų28.56%0.05514%0.14CC..EExtended strand (participates in β ladder)trans-145.3174.5171.8-164.30000109.2P651 K678 I679 D680T642-P651 HydrophobicContact CG2-CB 3.97Å; T642-K678 PolarHBondContact N-O 3.46Å; T642-I679 HydrophobicContact CG2-CB 4.36Å; T642-I679 HydrophobicContact CG2-CG1 3.82Å; T642-I679 HydrophobicContact CG2-CG2 4.29Å; T642-I679 WeakPolarHBondContact O-CA 3.08Å; T642-D680 PolarHBondContact O-N 3.14Å
643A93.6Very high93.9Very high1 Ų121.3 Ų21.31%0.00810%0.102CC..EExtended strand (participates in β ladder)trans-121.4149.617500000111.6N645 D646 D680 T683 G684A643-N645 VanDerWaalsContact C-N 3.31Å; A643-N645 PolarHBondContact O-N 3.14Å; A643-D646 HydrophobicContact CB-CB 4.37Å; A643-D646 PolarHBondContact O-N 3.24Å; A643-D680 WeakPolarHBondContact CA-O 3.4Å; A643-T683 VanDerWaalsContact CB-C 3.46Å; A643-T683 WeakPolarHBondContact CB-O 2.96Å; A643-T683 WeakPolarHBondContact CB-OG1 3.29Å; A643-G684 WeakPolarHBondContact CB-O 3.43Å
644E89.4Confident94.6Very high86 Ų8617 Ų1740%0.4028%0.083SC..THydrogen-bonded Turntrans-61.2-38.7-178.6-175.1177.2-161.200112.4I679 D680E644-I679 HydrophobicContact CB-CG2 4.28Å; E644-D680 PolarHBondContact N-O 3.18Å
645N86.2Confident94.9Very high58 Ų5814.3 Ų14.331%0.317%0.071SC..THydrogen-bonded Turntrans-10427.7-178.6-54.7-43.4000112.2A643 D647 T683A643-N645 VanDerWaalsContact C-N 3.31Å; A643-N645 PolarHBondContact O-N 3.14Å; N645-D647 PolarHBondContact O-N 2.61Å; N645-T683 WeakPolarHBondContact CB-O 3.4Å; N645-T683 PolarHBondContact N-O 3.09Å
646D90.6Very high95.1Very high0 Ų013.8 Ų13.80%07%0.068CC..  trans-7295171.6-168.2-14.9000109.7F203 V584 A643 R648 V649 V650 H685F203-D646 WeakPolarHBondContact CE1-O 3.48Å; V584-D646 VanDerWaalsContact CB-OD2 3.31Å; V584-D646 WeakPolarHBondContact CB-OD2 3.21Å; V584-D646 WeakPolarHBondContact CG1-OD2 3.3Å; A643-D646 HydrophobicContact CB-CB 4.37Å; A643-D646 PolarHBondContact O-N 3.24Å; D646-R648 VanDerWaalsContact C-N 3.33Å; D646-R648 WeakPolarHBondContact OD1-CA 3.16Å; D646-R648 WeakPolarHBondContact OD1-CB 3.23Å; D646-R648 PolarHBondContact OD1-N 3.4Å; D646-V649 PolarHBondContact OD1-N 3.03Å; D646-V650 WeakPolarHBondContact O-CA 3.42Å; D646-H685 WeakPolarHBondContact OD1-CB 3.36Å; D646-H685 IonicContact OD1-CG 2.74Å; D646-H685 IonicContact OD1-ND1 3.84Å; D646-H685 PolarHBondContact OD1-ND1 3.16Å; D646-H685 VanDerWaalsContact OD1-ND1 3.13Å; D646-H685 WeakPolarHBondContact OD2-CA 3.26Å; D646-H685 IonicContact OD2-CE1 2.83Å; D646-H685 IonicContact OD2-CG 3.64Å; D646-H685 IonicContact OD2-ND1 3.04Å; D646-H685 PolarHBondContact OD2-ND1 3.47Å
647D87.1Confident95.2Very high19 Ų1914 Ų1410%0.1027%0.069CC..SBendtrans-86.1-5174.856.85.6000113S150 D151 F203 T596 N645S150-D647 WeakPolarHBondContact CA-OD2 3.37Å; S150-D647 WeakPolarHBondContact CB-OD2 3.19Å; S150-D647 PolarHBondContact OG-OD2 3.5Å; D151-D647 PolarHBondContact N-OD1 2.82Å; D151-D647 VanDerWaalsContact N-OD1 3.08Å; D151-D647 PolarHBondContact N-OD2 2.72Å; F203-D647 HydrophobicContact CE1-CB 4.25Å; T596-D647 WeakPolarHBondContact CB-O 3.4Å; T596-D647 WeakPolarHBondContact CG2-O 3.45Å; T596-D647 PolarHBondContact OG1-O 3.47Å; N645-D647 PolarHBondContact O-N 2.61Å
648R89.2Confident95.2Very high65 Ų6514 Ų1425%0.2457%0.069CC..SBendtrans-82.1-61.5171-178.164.562.998.212.6110.4D151 W601 D646 H685D151-R648 VanDerWaalsContact CG-NH2 3.34Å; D151-R648 IonicContact OD1-NH2 2.87Å; D151-R648 PolarHBondContact OD1-NH2 3.4Å; D151-R648 VanDerWaalsContact OD1-NH2 3.12Å; D151-R648 IonicContact OD2-CZ 3.4Å; D151-R648 IonicContact OD2-NE 3.79Å; D151-R648 PolarHBondContact OD2-NE 3.14Å; D151-R648 IonicContact OD2-NH2 3.25Å; D151-R648 PolarHBondContact OD2-NH2 3.05Å; W601-R648 WeakPolarHBondContact CH2-O 3.41Å; W601-R648 HydrophobicContact CZ2-CG 4.39Å; W601-R648 WeakPolarHBondContact CZ2-O 3.36Å; D646-R648 VanDerWaalsContact C-N 3.33Å; D646-R648 WeakPolarHBondContact OD1-CA 3.16Å; D646-R648 WeakPolarHBondContact OD1-CB 3.23Å; D646-R648 PolarHBondContact OD1-N 3.4Å; R648-H685 HydrophobicContact CB-CB 3.76Å; R648-H685 HydrophobicContact CG-CB 4.48Å
649V94.4Very high95.2Very high2 Ų213.6 Ų13.61%0.0127%0.067CC..SBendtrans-117.798.1175.5178.10000107.9V584 G585 L586 W601 D646 H685V584-V649 WeakPolarHBondContact O-CG1 3.17Å; G585-V649 WeakPolarHBondContact O-CG1 3.35Å; L586-V649 HydrophobicContact CD1-CG1 3.85Å; L586-V649 HydrophobicContact CD1-CG2 4.49Å; W601-V649 HydrophobicContact CH2-CG2 3.8Å; W601-V649 HydrophobicContact CZ2-CG2 4.32Å; D646-V649 PolarHBondContact OD1-N 3.03Å; V649-H685 VanDerWaalsContact CG2-CE1 3.41Å; V649-H685 WeakPolarHBondContact CG2-CE1 3.47Å
650V94.3Very high95.2Very high2 Ų215.2 Ų15.21%0.0127%0.074CC..  trans-55.7136.7-171.8-640000112.5F203 F595 T596 D646 C652 H653F203-V650 HydrophobicContact CB-CG1 3.93Å; F203-V650 HydrophobicContact CD1-CB 4.3Å; F203-V650 HydrophobicContact CD1-CG1 3.37Å; F203-V650 HydrophobicContact CD2-CG1 4.38Å; F203-V650 HydrophobicContact CE1-CG1 3.91Å; F203-V650 HydrophobicContact CG-CB 4.34Å; F203-V650 HydrophobicContact CG-CG1 3.65Å; F595-V650 HydrophobicContact CB-CB 4.45Å; F595-V650 HydrophobicContact CB-CG1 3.89Å; F595-V650 HydrophobicContact CB-CG2 3.69Å; F595-V650 HydrophobicContact CD1-CG2 4.45Å; F595-V650 HydrophobicContact CD2-CG2 3.77Å; F595-V650 HydrophobicContact CG-CG2 3.71Å; T596-V650 HydrophobicContact CG2-CG1 3.94Å; D646-V650 WeakPolarHBondContact O-CA 3.42Å; V650-C652 WeakPolarHBondContact CG2-SG 3.32Å; V650-C652 PolarHBondContact O-N 3.36Å; V650-H653 PolarHBondContact O-CD2 2.98Å; V650-H653 PolarHBondContact O-N 2.85Å; V650-H653 VanDerWaalsContact O-N 3.11Å
651P95.6Very high95.1Very high8 Ų815.2 Ų15.25%0.0527%0.074CC..THydrogen-bonded Turntrans-62.7-20.9-171.421.9-32.8000113.2F203 T642 H653 S654 L655F203-P651 HydrophobicContact CE2-CG 4.21Å; F203-P651 HydrophobicContact CZ-CG 4.18Å; T642-P651 HydrophobicContact CG2-CB 3.97Å; P651-H653 PolarHBondContact O-N 3.42Å; P651-H653 VanDerWaalsContact O-N 3.1Å; P651-S654 WeakPolarHBondContact O-CB 3.47Å; P651-S654 PolarHBondContact O-N 3.14Å; P651-L655 WeakPolarHBondContact O-CG 3.48Å; P651-L655 PolarHBondContact O-N 2.8Å
652C96.6Very high95Very high9 Ų915.7 Ų15.76%0.0618%0.076CC..Hα-helixtrans-56.5-26.7176.872.70000112.8L33 E34 V650 L655 K656L33-C652 WeakPolarHBondContact O-CB 3.16Å; E34-C652 HydrophobicContact CB-CB 4.49Å; E34-C652 HydrophobicContact CG-CB 4.23Å; V650-C652 WeakPolarHBondContact CG2-SG 3.32Å; V650-C652 PolarHBondContact O-N 3.36Å; C652-L655 PolarHBondContact O-N 2.82Å; C652-K656 WeakPolarHBondContact O-CB 3.27Å; C652-K656 WeakPolarHBondContact O-CG 3.31Å; C652-K656 PolarHBondContact O-N 2.81Å
653H98.3Very high95Very high2 Ų218.5 Ų18.51%0.0099%0.088CC..Hα-helixtrans-55.7-53.3169.5-75.6-65000111.1G585 L586 F587 D588 V650 P651 Y657G585-H653 WeakPolarHBondContact O-CB 3.41Å; L586-H653 VanDerWaalsContact CD1-NE2 3.28Å; L586-H653 WeakPolarHBondContact CD1-NE2 3.38Å; F587-H653 HydrophobicContact CB-CB 4.49Å; F587-H653 VanDerWaalsContact CD2-C 3.49Å; F587-H653 HydrophobicContact CD2-CB 3.96Å; F587-H653 WeakPolarHBondContact CD2-O 3.5Å; D588-H653 PolarHBondContact N-ND1 3.3Å; D588-H653 PolarHBondContact O-CE1 2.89Å; V650-H653 PolarHBondContact O-CD2 2.98Å; V650-H653 PolarHBondContact O-N 2.85Å; V650-H653 VanDerWaalsContact O-N 3.11Å; P651-H653 PolarHBondContact O-N 3.42Å; P651-H653 VanDerWaalsContact O-N 3.1Å; H653-Y657 VanDerWaalsContact O-CB 3.27Å; H653-Y657 WeakPolarHBondContact O-CB 3.4Å; H653-Y657 PolarHBondContact O-N 2.77Å; H653-Y657 VanDerWaalsContact O-N 3.13Å
654S98.4Very high95Very high3 Ų319.4 Ų19.42%0.0219%0.094CC..Hα-helixtrans-66.1-40.5-179.7-620000111.5F587 P651 Y657 V658F587-S654 WeakPolarHBondContact CE2-OG 3.32Å; P651-S654 WeakPolarHBondContact O-CB 3.47Å; P651-S654 PolarHBondContact O-N 3.14Å; S654-Y657 PolarHBondContact O-N 3.33Å; S654-V658 PolarHBondContact O-N 3.39Å
655L98.5Very high95.2Very high5 Ų515.9 Ų15.93%0.0268%0.078CC..Hα-helixtrans-66.1-47.8-177.8-59.3177.9000112.1L33 T41 V45 L48 P651 C652 Y657 V658 A659 I679L33-L655 HydrophobicContact CB-CB 4.21Å; L33-L655 HydrophobicContact CD1-CB 3.97Å; L33-L655 HydrophobicContact CD2-CB 4.27Å; L33-L655 HydrophobicContact CD2-CD1 4.37Å; L33-L655 HydrophobicContact CG-CB 4.39Å; T41-L655 HydrophobicContact CG2-CD1 3.9Å; V45-L655 HydrophobicContact CG2-CD1 4.06Å; V45-L655 HydrophobicContact CG2-CD2 3.85Å; L48-L655 HydrophobicContact CD1-CD2 3.73Å; P651-L655 WeakPolarHBondContact O-CG 3.48Å; P651-L655 PolarHBondContact O-N 2.8Å; C652-L655 PolarHBondContact O-N 2.82Å; L655-Y657 VanDerWaalsContact C-N 3.32Å; L655-Y657 PolarHBondContact O-N 2.92Å; L655-V658 WeakPolarHBondContact O-CG1 3.07Å; L655-A659 VanDerWaalsContact O-CB 3.29Å; L655-A659 WeakPolarHBondContact O-CB 3.43Å; L655-A659 PolarHBondContact O-N 3.11Å; L655-I679 HydrophobicContact CD2-CD1 4.02Å; L655-I679 HydrophobicContact CD2-CG1 3.99Å
656K98.7Very high95.4Very high1 Ų119.4 Ų19.40%0.0049%0.093CC..Hα-helixtrans-64-40.7176.9-66.7171.870.7178.20111D28 L33 E34 D588 L623 C652 A659 E660D28-K656 VanDerWaalsContact CG-NZ 3.32Å; D28-K656 WeakPolarHBondContact OD1-CE 3.5Å; D28-K656 IonicContact OD1-NZ 3.44Å; D28-K656 PolarHBondContact OD1-NZ 3.47Å; D28-K656 IonicContact OD2-NZ 3.21Å; D28-K656 PolarHBondContact OD2-NZ 3.36Å; L33-K656 HydrophobicContact CB-CG 4.12Å; L33-K656 HydrophobicContact CD1-CG 4.42Å; E34-K656 HydrophobicContact CG-CD 4.1Å; E34-K656 IonicContact OE1-NZ 3.16Å; E34-K656 PolarHBondContact OE1-NZ 3.14Å; D588-K656 IonicContact OD2-NZ 3.46Å; D588-K656 PolarHBondContact OD2-NZ 3.09Å; L623-K656 HydrophobicContact CD1-CB 4.08Å; L623-K656 WeakPolarHBondContact CD1-O 3.44Å; L623-K656 HydrophobicContact CD2-CB 4.09Å; C652-K656 WeakPolarHBondContact O-CB 3.27Å; C652-K656 WeakPolarHBondContact O-CG 3.31Å; C652-K656 PolarHBondContact O-N 2.81Å; K656-A659 PolarHBondContact O-N 2.71Å; K656-E660 PolarHBondContact O-N 2.78Å
657Y98.6Very high95.2Very high5 Ų523 Ų232%0.0213%0.129CC..Hα-helixtrans-64.8-47.5-179.4-173.5-129.4000112.4A567 N571 F587 P622 V626 L640 H653 S654 L655 A659 E660 I661A567-Y657 HydrophobicContact CB-CE1 3.9Å; N571-Y657 PolarHBondContact ND2-OH 3.42Å; N571-Y657 VanDerWaalsContact ND2-OH 3.15Å; N571-Y657 PolarHBondContact OD1-OH 3.25Å; N571-Y657 VanDerWaalsContact OD1-OH 3.05Å; F587-Y657 HydrophobicContact CB-CD1 4.36Å; F587-Y657 HydrophobicContact CB-CD2 4.27Å; F587-Y657 HydrophobicContact CB-CG 3.89Å; F587-Y657 AromaticContact CD1-CD1 3.62Å; F587-Y657 HydrophobicContact CD1-CD1 3.62Å; F587-Y657 AromaticContact CD1-CE1 3.91Å; F587-Y657 HydrophobicContact CD1-CE1 3.91Å; F587-Y657 HydrophobicContact CD1-CG 4.02Å; F587-Y657 HydrophobicContact CD2-CD1 4.12Å; F587-Y657 HydrophobicContact CD2-CG 4.27Å; F587-Y657 AromaticContact CE1-CD1 3.85Å; F587-Y657 HydrophobicContact CE1-CD1 3.85Å; F587-Y657 AromaticContact CE1-CE1 3.99Å; F587-Y657 HydrophobicContact CE1-CE1 3.99Å; F587-Y657 HydrophobicContact CE2-CD1 4.29Å; F587-Y657 AromaticContact CG-CD1 3.76Å; F587-Y657 HydrophobicContact CG-CD1 3.76Å; F587-Y657 HydrophobicContact CG-CE1 4.49Å; F587-Y657 AromaticContact CG-CG 3.79Å; F587-Y657 HydrophobicContact CG-CG 3.79Å; F587-Y657 HydrophobicContact CZ-CD1 4.14Å; P622-Y657 VanDerWaalsContact C-CE2 3.48Å; P622-Y657 HydrophobicContact CB-CD2 4.12Å; P622-Y657 HydrophobicContact CB-CE2 3.62Å; P622-Y657 WeakPolarHBondContact O-CE2 3.39Å; V626-Y657 HydrophobicContact CG2-CD2 3.96Å; V626-Y657 HydrophobicContact CG2-CE2 3.48Å; V626-Y657 VanDerWaalsContact CG2-CE2 3.48Å; L640-Y657 HydrophobicContact CD1-CD1 3.76Å; L640-Y657 HydrophobicContact CD1-CE1 4.48Å; L640-Y657 HydrophobicContact CD2-CD1 4.29Å; L640-Y657 HydrophobicContact CD2-CE1 4.37Å; H653-Y657 VanDerWaalsContact O-CB 3.27Å; H653-Y657 WeakPolarHBondContact O-CB 3.4Å; H653-Y657 PolarHBondContact O-N 2.77Å; H653-Y657 VanDerWaalsContact O-N 3.13Å; S654-Y657 PolarHBondContact O-N 3.33Å; L655-Y657 VanDerWaalsContact C-N 3.32Å; L655-Y657 PolarHBondContact O-N 2.92Å; Y657-A659 VanDerWaalsContact C-N 3.33Å; Y657-A659 PolarHBondContact O-N 2.86Å; Y657-E660 PolarHBondContact O-N 2.91Å; Y657-I661 HydrophobicContact CD1-CD1 3.9Å; Y657-I661 HydrophobicContact CD2-CD1 4.28Å; Y657-I661 HydrophobicContact CD2-CG1 4.47Å; Y657-I661 HydrophobicContact CE1-CD1 3.56Å; Y657-I661 HydrophobicContact CE2-CD1 4Å; Y657-I661 HydrophobicContact CE2-CG1 4.23Å; Y657-I661 HydrophobicContact CG-CD1 4.24Å; Y657-I661 WeakPolarHBondContact O-CG1 3.17Å; Y657-I661 PolarHBondContact O-N 2.84Å
658V98.4Very high95.3Very high0 Ų023.4 Ų23.40%013%0.133CC..Hα-helixtrans-66.2-36.7177.875.70000111.9L48 L640 S654 L655 I661 Y662 I675 A677L48-V658 HydrophobicContact CD1-CG1 3.95Å; L48-V658 HydrophobicContact CD2-CG1 4.01Å; L640-V658 HydrophobicContact CD1-CB 3.97Å; L640-V658 HydrophobicContact CD1-CG2 4.49Å; S654-V658 PolarHBondContact O-N 3.39Å; L655-V658 WeakPolarHBondContact O-CG1 3.07Å; V658-I661 PolarHBondContact O-N 2.98Å; V658-Y662 HydrophobicContact CG2-CD1 4.2Å; V658-Y662 HydrophobicContact CG2-CD2 4.3Å; V658-Y662 HydrophobicContact CG2-CE1 3.65Å; V658-Y662 HydrophobicContact CG2-CE2 3.75Å; V658-Y662 VanDerWaalsContact O-CG 3.28Å; V658-Y662 PolarHBondContact O-N 2.84Å; V658-I675 HydrophobicContact CG2-CG2 4.37Å; V658-A677 HydrophobicContact CB-CB 4.15Å; V658-A677 HydrophobicContact CG1-CB 4.01Å; V658-A677 HydrophobicContact CG2-CB 3.99Å
659A98.5Very high95.3Very high2 Ų224.3 Ų24.32%0.01716%0.155CC..Hα-helixtrans-60.9-45.3175.800000112.1A11 Y30 L33 Y44 L655 K656 Y657 Y662 H663A11-A659 HydrophobicContact CB-CB 3.7Å; Y30-A659 HydrophobicContact CD1-CB 3.89Å; Y30-A659 HydrophobicContact CD2-CB 3.94Å; Y30-A659 HydrophobicContact CE1-CB 3.89Å; Y30-A659 HydrophobicContact CE2-CB 3.94Å; Y30-A659 HydrophobicContact CG-CB 3.92Å; Y30-A659 PolarHBondContact OH-O 2.97Å; L33-A659 HydrophobicContact CD1-CB 4.14Å; Y44-A659 HydrophobicContact CE1-CB 4.45Å; Y44-A659 WeakPolarHBondContact OH-CA 3.02Å; L655-A659 VanDerWaalsContact O-CB 3.29Å; L655-A659 WeakPolarHBondContact O-CB 3.43Å; L655-A659 PolarHBondContact O-N 3.11Å; K656-A659 PolarHBondContact O-N 2.71Å; Y657-A659 VanDerWaalsContact C-N 3.33Å; Y657-A659 PolarHBondContact O-N 2.86Å; A659-Y662 PolarHBondContact O-N 3.19Å; A659-H663 PolarHBondContact O-N 3.3Å
660E98Very high95Very high34 Ų3427.3 Ų27.316%0.15917%0.169CC..Hα-helixtrans-68.7-37.6177.2-174.357.3-144.800112R13 Y30 L623 V626 K656 Y657 H663 C664R13-E660 IonicContact NH1-OE2 2.76Å; R13-E660 PolarHBondContact NH1-OE2 3.44Å; Y30-E660 HydrophobicContact CD2-CB 4.43Å; Y30-E660 HydrophobicContact CE2-CB 3.95Å; Y30-E660 VanDerWaalsContact CE2-OE2 3.26Å; Y30-E660 WeakPolarHBondContact CE2-OE2 3.13Å; L623-E660 HydrophobicContact CD1-CB 3.76Å; L623-E660 HydrophobicContact CD1-CG 4.29Å; V626-E660 HydrophobicContact CB-CG 4.21Å; V626-E660 HydrophobicContact CG2-CG 4.2Å; K656-E660 PolarHBondContact O-N 2.78Å; Y657-E660 PolarHBondContact O-N 2.91Å; E660-H663 PolarHBondContact O-N 3.07Å; E660-H663 IonicContact OE1-CD2 2.74Å; E660-C664 WeakPolarHBondContact O-CB 3.39Å; E660-C664 PolarHBondContact O-N 3.08Å; E660-C664 PolarHBondContact OE1-SG 2.83Å; E660-C664 VanDerWaalsContact OE1-SG 3.35Å
661I97.4Very high94.9Very high3 Ų328.3 Ų28.32%0.01517%0.173CC..Hα-helixtrans-59.4-50.8172.2-68.1166.8000110.9V626 L635 Y657 V658 H663 C664 I665 I675V626-I661 HydrophobicContact CG1-CB 4.5Å; V626-I661 HydrophobicContact CG1-CG1 3.96Å; V626-I661 HydrophobicContact CG2-CG1 3.93Å; L635-I661 HydrophobicContact CD1-CG2 4.03Å; Y657-I661 HydrophobicContact CD1-CD1 3.9Å; Y657-I661 HydrophobicContact CD2-CD1 4.28Å; Y657-I661 HydrophobicContact CD2-CG1 4.47Å; Y657-I661 HydrophobicContact CE1-CD1 3.56Å; Y657-I661 HydrophobicContact CE2-CD1 4Å; Y657-I661 HydrophobicContact CE2-CG1 4.23Å; Y657-I661 HydrophobicContact CG-CD1 4.24Å; Y657-I661 WeakPolarHBondContact O-CG1 3.17Å; Y657-I661 PolarHBondContact O-N 2.84Å; V658-I661 PolarHBondContact O-N 2.98Å; I661-H663 VanDerWaalsContact C-N 3.27Å; I661-H663 PolarHBondContact O-N 2.94Å; I661-C664 PolarHBondContact O-N 2.98Å; I661-C664 VanDerWaalsContact O-N 3.12Å; I661-I665 HydrophobicContact CG2-CG2 4.33Å; I661-I665 WeakPolarHBondContact O-CG1 3.3Å; I661-I665 PolarHBondContact O-N 2.86Å; I661-I675 HydrophobicContact CD1-CG2 4.45Å; I661-I675 HydrophobicContact CG2-CD1 3.35Å; I661-I675 HydrophobicContact CG2-CG1 4.49Å; I661-I675 HydrophobicContact CG2-CG2 3.89Å
662Y97Very high94.8Very high16 Ų1632 Ų326%0.06320%0.195CC..Hα-helixtrans-58.6-40.3-179.9-69.5-12.7000112.2Y8 P9 L48 V658 A659 E666 I675Y8-Y662 HydrophobicContact CD1-CD1 4.02Å; Y8-Y662 AromaticContact CD1-CE1 3.36Å; Y8-Y662 HydrophobicContact CD1-CE1 3.36Å; Y8-Y662 HydrophobicContact CD1-CE2 4.09Å; Y8-Y662 AromaticContact CD1-CZ 3.4Å; Y8-Y662 VanDerWaalsContact CD1-CZ 3.4Å; Y8-Y662 HydrophobicContact CD2-CD1 4.02Å; Y8-Y662 HydrophobicContact CD2-CE1 4.15Å; Y8-Y662 AromaticContact CE1-CE1 3.76Å; Y8-Y662 HydrophobicContact CE1-CE1 3.76Å; Y8-Y662 HydrophobicContact CE2-CE1 4.47Å; Y8-Y662 AromaticContact CG-CD1 3.73Å; Y8-Y662 HydrophobicContact CG-CD1 3.73Å; Y8-Y662 HydrophobicContact CG-CD2 4.3Å; Y8-Y662 AromaticContact CG-CE1 3.59Å; Y8-Y662 HydrophobicContact CG-CE1 3.59Å; Y8-Y662 HydrophobicContact CG-CE2 4.18Å; Y8-Y662 HydrophobicContact CG-CG 4.09Å; Y8-Y662 AromaticContact CG-CZ 3.83Å; P9-Y662 WeakPolarHBondContact O-CD2 3.5Å; L48-Y662 HydrophobicContact CD2-CE2 3.58Å; V658-Y662 HydrophobicContact CG2-CD1 4.2Å; V658-Y662 HydrophobicContact CG2-CD2 4.3Å; V658-Y662 HydrophobicContact CG2-CE1 3.65Å; V658-Y662 HydrophobicContact CG2-CE2 3.75Å; V658-Y662 VanDerWaalsContact O-CG 3.28Å; V658-Y662 PolarHBondContact O-N 2.84Å; A659-Y662 PolarHBondContact O-N 3.19Å; Y662-E666 PolarHBondContact O-N 3.49Å; Y662-E666 VanDerWaalsContact O-N 3.16Å; Y662-I675 HydrophobicContact CD1-CG2 4.46Å; Y662-I675 HydrophobicContact CE1-CB 4.05Å; Y662-I675 HydrophobicContact CE1-CG2 3.88Å; Y662-I675 WeakPolarHBondContact CE1-O 3.41Å; Y662-I675 PolarHBondContact OH-O 2.64Å
663H95.9Very high94.7Very high68 Ų6832 Ų3232%0.31520%0.195SC..Hα-helixtrans-63.7-47.3173.4178.960.2000112.3R13 Y30 A659 E660 I661 I665 E666R13-H663 VanDerWaalsContact CZ-CD2 3.47Å; R13-H663 PolarHBondContact NH1-CD2 2.71Å; Y30-H663 VanDerWaalsContact OH-CB 3.25Å; Y30-H663 WeakPolarHBondContact OH-CB 3.44Å; A659-H663 PolarHBondContact O-N 3.3Å; E660-H663 PolarHBondContact O-N 3.07Å; E660-H663 IonicContact OE1-CD2 2.74Å; I661-H663 VanDerWaalsContact C-N 3.27Å; I661-H663 PolarHBondContact O-N 2.94Å; H663-I665 VanDerWaalsContact C-N 3.28Å; H663-I665 PolarHBondContact O-N 2.91Å; H663-E666 IonicContact ND1-OE2 3.87Å; H663-E666 VanDerWaalsContact O-CB 3.29Å; H663-E666 WeakPolarHBondContact O-CB 3.33Å; H663-E666 PolarHBondContact O-N 2.55Å
664C94.1Very high94.6Very high19 Ų1932.3 Ų32.313%0.12820%0.197CC..Hα-helixtrans-62.8-31.1-179.6-86.70000113.8V626 E660 I661V626-C664 HydrophobicContact CG1-CB 3.62Å; V626-C664 VanDerWaalsContact CG1-SG 3.59Å; E660-C664 WeakPolarHBondContact O-CB 3.39Å; E660-C664 PolarHBondContact O-N 3.08Å; E660-C664 PolarHBondContact OE1-SG 2.83Å; E660-C664 VanDerWaalsContact OE1-SG 3.35Å; I661-C664 PolarHBondContact O-N 2.98Å; I661-C664 VanDerWaalsContact O-N 3.12Å
665I93.1Very high94.6Very high12 Ų1232.2 Ų32.26%0.06220%0.196CC..THydrogen-bonded Turntrans-94.7-0.4179.271.5171000113Y8 P629 L635 I661 H663 G667 C668 Q671 I675Y8-I665 HydrophobicContact CD2-CD1 4.12Å; Y8-I665 HydrophobicContact CE2-CD1 3.69Å; P629-I665 HydrophobicContact CG-CG2 4.24Å; L635-I665 HydrophobicContact CD1-CG2 3.91Å; I661-I665 HydrophobicContact CG2-CG2 4.33Å; I661-I665 WeakPolarHBondContact O-CG1 3.3Å; I661-I665 PolarHBondContact O-N 2.86Å; H663-I665 VanDerWaalsContact C-N 3.28Å; H663-I665 PolarHBondContact O-N 2.91Å; I665-G667 PolarHBondContact O-N 2.82Å; I665-C668 VanDerWaalsContact O-CB 3.24Å; I665-C668 WeakPolarHBondContact O-CB 3.41Å; I665-C668 PolarHBondContact O-N 2.55Å; I665-Q671 HydrophobicContact CB-CB 4.34Å; I665-Q671 HydrophobicContact CB-CG 4.02Å; I665-Q671 HydrophobicContact CD1-CG 3.98Å; I665-Q671 HydrophobicContact CG2-CG 3.96Å; I665-I675 HydrophobicContact CD1-CD1 4.08Å
666E91.1Very high94.6Very high133 Ų13332 Ų3262%0.62120%0.195SC*.THydrogen-bonded Turntrans-57.8130.9178-169.7175.3-168.800109.9Y662 H663 C668Y662-E666 PolarHBondContact O-N 3.49Å; Y662-E666 VanDerWaalsContact O-N 3.16Å; H663-E666 IonicContact ND1-OE2 3.87Å; H663-E666 VanDerWaalsContact O-CB 3.29Å; H663-E666 WeakPolarHBondContact O-CB 3.33Å; H663-E666 PolarHBondContact O-N 2.55Å; E666-C668 PolarHBondContact O-N 2.79Å; E666-C668 VanDerWaalsContact O-N 3.09Å
667G86.9Confident94.5Very high74 Ų7432 Ų3276%0.76320%0.195SC*.THydrogen-bonded Turntrans70.8-4.2-175.900000115.8I665 A669I665-G667 PolarHBondContact O-N 2.82Å; G667-A669 PolarHBondContact O-N 2.82Å
668C89.2Confident94.5Very high29 Ų2932.3 Ų32.320%0.19620%0.197CC..  trans-7685.3177.4-67.90000111I665 E666 H670 Q671I665-C668 VanDerWaalsContact O-CB 3.24Å; I665-C668 WeakPolarHBondContact O-CB 3.41Å; I665-C668 PolarHBondContact O-N 2.55Å; E666-C668 PolarHBondContact O-N 2.79Å; E666-C668 VanDerWaalsContact O-N 3.09Å; C668-H670 PolarHBondContact O-N 2.84Å; C668-Q671 HydrophobicContact CB-CB 4.04Å; C668-Q671 WeakPolarHBondContact O-CB 3.27Å; C668-Q671 PolarHBondContact O-N 2.77Å
669A87.5Confident94.4Very high84 Ų8432.8 Ų32.869%0.69420%0.199SC*.THydrogen-bonded Turntrans-58.4-24.3-176.800000114.5G667G667-A669 PolarHBondContact O-N 2.82Å
670H89.3Confident94.1Very high65 Ų6533.4 Ų33.430%0.30120%0.202SC..THydrogen-bonded Turntrans-85.2-10.7176.465.4-78000112.8P629 K630 K633 Q634 C668 V672P629-H670 PolarHBondContact O-NE2 2.89Å; K630-H670 PolarHBondContact O-NE2 2.9Å; K633-H670 PolarHBondContact O-CD2 3.01Å; K633-H670 VanDerWaalsContact O-CD2 3.27Å; K633-H670 PolarHBondContact O-NE2 3.15Å; Q634-H670 WeakPolarHBondContact CG-O 3.37Å; Q634-H670 PolarHBondContact NE2-O 2.81Å; C668-H670 PolarHBondContact O-N 2.84Å; H670-V672 PolarHBondContact O-N 3.38Å; H670-V672 VanDerWaalsContact O-N 3.14Å
671Q92.7Very high93.7Very high22 Ų2234.7 Ų34.710%0.10322%0.215CC..  trans-79.195171.5-177.562.740.100109.4P629 L635 I665 C668 N673P629-Q671 HydrophobicContact CG-CB 4.42Å; L635-Q671 PolarHBondContact O-NE2 3.12Å; I665-Q671 HydrophobicContact CB-CB 4.34Å; I665-Q671 HydrophobicContact CB-CG 4.02Å; I665-Q671 HydrophobicContact CD1-CG 3.98Å; I665-Q671 HydrophobicContact CG2-CG 3.96Å; C668-Q671 HydrophobicContact CB-CB 4.04Å; C668-Q671 WeakPolarHBondContact O-CB 3.27Å; C668-Q671 PolarHBondContact O-N 2.77Å; Q671-N673 PolarHBondContact NE2-O 2.82Å
672V92.2Very high93Very high86 Ų8639.4 Ų39.452%0.52124%0.235SC..  trans-106.3-16.4-179.6-57.50000113.4H670H670-V672 PolarHBondContact O-N 3.38Å; H670-V672 VanDerWaalsContact O-N 3.14Å
673N94.9Very high92.5Very high10 Ų1038.7 Ų38.75%0.05323%0.232CC..SBendtrans-67.5135.7177.1-64.4-31.1000110.1R578 Q634 L635 A637 Q671R578-N673 PolarHBondContact NH1-OD1 2.84Å; Q634-N673 PolarHBondContact OE1-ND2 2.73Å; Q634-N673 VanDerWaalsContact OE1-ND2 3.14Å; Q634-N673 PolarHBondContact OE1-OD1 2.8Å; L635-N673 PolarHBondContact O-ND2 2.82Å; A637-N673 HydrophobicContact CB-CB 4.04Å; Q671-N673 PolarHBondContact NE2-O 2.82Å
674P96.8Very high92.1Very high8 Ų835.5 Ų35.55%0.05222%0.218CC..  trans-69.4140.8-178.932.2-39.2000111L6 Y8 Y55 A637 T638 L676 F704 V708L6-P674 HydrophobicContact CD1-CB 3.58Å; Y8-P674 WeakPolarHBondContact OH-CA 3.44Å; Y55-P674 HydrophobicContact CE1-CB 4.26Å; Y55-P674 HydrophobicContact CE1-CG 4.1Å; Y55-P674 HydrophobicContact CE2-CB 4.06Å; Y55-P674 HydrophobicContact CE2-CG 4.35Å; Y55-P674 WeakPolarHBondContact OH-CG 3.5Å; A637-P674 CarbonylContact C-O 3.52Å; A637-P674 WeakPolarHBondContact CA-O 3.42Å; A637-P674 HydrophobicContact CB-CG 3.93Å; T638-P674 PolarHBondContact N-O 2.82Å; P674-L676 HydrophobicContact CB-CG 4.5Å; P674-F704 HydrophobicContact CB-CE2 4.35Å; P674-F704 HydrophobicContact CG-CE2 3.86Å; P674-F704 HydrophobicContact CG-CZ 4.11Å; P674-V708 HydrophobicContact CG-CG2 3.77Å
675I97.4Very high91.7Very high0 Ų036 Ų360%022%0.219CC..EExtended strand (participates in β ladder)trans-125116.5172.5-58.6-175.3000106.3Y8 L635 T638 V658 I661 Y662 I665Y8-I675 WeakPolarHBondContact CE1-O 3.31Å; Y8-I675 PolarHBondContact OH-N 2.76Å; L635-I675 HydrophobicContact CB-CD1 4.24Å; L635-I675 HydrophobicContact CD1-CD1 4.12Å; T638-I675 CarbonylContact O-C 3.45Å; T638-I675 WeakPolarHBondContact O-CA 3.29Å; V658-I675 HydrophobicContact CG2-CG2 4.37Å; I661-I675 HydrophobicContact CD1-CG2 4.45Å; I661-I675 HydrophobicContact CG2-CD1 3.35Å; I661-I675 HydrophobicContact CG2-CG1 4.49Å; I661-I675 HydrophobicContact CG2-CG2 3.89Å; Y662-I675 HydrophobicContact CD1-CG2 4.46Å; Y662-I675 HydrophobicContact CE1-CB 4.05Å; Y662-I675 HydrophobicContact CE1-CG2 3.88Å; Y662-I675 WeakPolarHBondContact CE1-O 3.41Å; Y662-I675 PolarHBondContact OH-O 2.64Å; I665-I675 HydrophobicContact CD1-CD1 4.08Å
676L98.3Very high91.1Very high0 Ų038.1 Ų38.10%023%0.234CC..EExtended strand (participates in β ladder)trans-126.9147.3-170.9-58.9-179.8000109.8L6 V51 Y55 L56 T638 L639 L640 P674 F704L6-L676 HydrophobicContact CD1-CD2 4.2Å; V51-L676 HydrophobicContact CG1-CD2 4.01Å; Y55-L676 HydrophobicContact CD1-CD1 3.51Å; Y55-L676 HydrophobicContact CE1-CD1 4.26Å; Y55-L676 HydrophobicContact CG-CD1 3.92Å; L56-L676 HydrophobicContact CG-CD1 4.48Å; T638-L676 PolarHBondContact O-N 2.82Å; L639-L676 WeakPolarHBondContact CA-O 3.48Å; L639-L676 HydrophobicContact CD1-CB 3.84Å; L640-L676 PolarHBondContact N-O 2.94Å; P674-L676 HydrophobicContact CB-CG 4.5Å; L676-F704 HydrophobicContact CD1-CD2 3.84Å; L676-F704 HydrophobicContact CD1-CE2 3.69Å; L676-F704 HydrophobicContact CG-CE2 4.16Å
677A98.3Very high90.4Very high2 Ų235.8 Ų35.82%0.01723%0.225CC..EExtended strand (participates in β ladder)trans-128.1124.4167.600000108.8L48 S52 L640 V658 I679L48-A677 HydrophobicContact CD1-CB 4.3Å; L48-A677 HydrophobicContact CD2-CB 4.42Å; S52-A677 VanDerWaalsContact OG-C 3.26Å; S52-A677 PolarHBondContact OG-N 2.86Å; S52-A677 PolarHBondContact OG-O 3.09Å; L640-A677 HydrophobicContact CB-CB 4.19Å; L640-A677 CarbonylContact O-C 3.58Å; L640-A677 WeakPolarHBondContact O-CA 3.27Å; V658-A677 HydrophobicContact CB-CB 4.15Å; V658-A677 HydrophobicContact CG1-CB 4.01Å; V658-A677 HydrophobicContact CG2-CB 3.99Å; A677-I679 HydrophobicContact CB-CD1 4.29Å
678K97.5Very high90Very high12 Ų1233.1 Ų33.15%0.05220%0.198CC..EExtended strand (participates in β ladder)trans-113.2124.1173.4-179-166.2163.7-169.50108.4N49 F53 L640 L641 T642 D700N49-K678 WeakPolarHBondContact OD1-CA 3.47Å; F53-K678 HydrophobicContact CE1-CD 3.99Å; F53-K678 HydrophobicContact CE1-CG 4.14Å; F53-K678 HydrophobicContact CZ-CG 4.3Å; L640-K678 PolarHBondContact O-N 2.59Å; L641-K678 WeakPolarHBondContact CA-O 3.35Å; L641-K678 HydrophobicContact CD2-CB 3.87Å; L641-K678 HydrophobicContact CD2-CD 4.12Å; T642-K678 PolarHBondContact N-O 3.46Å; K678-D700 WeakPolarHBondContact CD-OD2 3.45Å; K678-D700 WeakPolarHBondContact CE-OD2 3.04Å; K678-D700 IonicContact NZ-OD2 3.62Å; K678-D700 PolarHBondContact NZ-OD2 3.1Å
679I96.3Very high90Very high9 Ų932.5 Ų32.55%0.04619%0.192CC..EExtended strand (participates in β ladder)trans-108.9109.8177.6-58.573.5000106.5V45 L48 N49 T642 E644 L655 A677V45-I679 HydrophobicContact CG1-CB 3.8Å; V45-I679 HydrophobicContact CG1-CD1 4.34Å; V45-I679 HydrophobicContact CG1-CG1 4.04Å; V45-I679 HydrophobicContact CG1-CG2 3.99Å; V45-I679 HydrophobicContact CG2-CG1 4.38Å; L48-I679 HydrophobicContact CB-CD1 4.13Å; L48-I679 HydrophobicContact CD1-CD1 3.92Å; N49-I679 PolarHBondContact ND2-O 3.14Å; N49-I679 PolarHBondContact OD1-N 3.2Å; N49-I679 PolarHBondContact OD1-O 3.14Å; T642-I679 HydrophobicContact CG2-CB 4.36Å; T642-I679 HydrophobicContact CG2-CG1 3.82Å; T642-I679 HydrophobicContact CG2-CG2 4.29Å; T642-I679 WeakPolarHBondContact O-CA 3.08Å; E644-I679 HydrophobicContact CB-CG2 4.28Å; L655-I679 HydrophobicContact CD2-CD1 4.02Å; L655-I679 HydrophobicContact CD2-CG1 3.99Å; A677-I679 HydrophobicContact CB-CD1 4.29Å
680D92.6Very high90.1Very high16 Ų1628.7 Ų28.79%0.08616%0.16CC..EExtended strand (participates in β ladder)trans-76.7143.6176.8-168.833.1000111.1T642 A643 E644 T683 K693T642-D680 PolarHBondContact O-N 3.14Å; A643-D680 WeakPolarHBondContact CA-O 3.4Å; E644-D680 PolarHBondContact N-O 3.18Å; D680-T683 WeakPolarHBondContact CB-OG1 3.38Å; D680-T683 VanDerWaalsContact CG-OG1 3.31Å; D680-T683 WeakPolarHBondContact OD2-CG2 3.49Å; D680-T683 PolarHBondContact OD2-OG1 2.89Å; D680-K693 IonicContact OD1-NZ 3.41Å; D680-K693 PolarHBondContact OD1-NZ 2.75Å; D680-K693 IonicContact OD2-NZ 3.66Å
681S88.3Confident90.3Very high60 Ų6026.4 Ų26.442%0.4215%0.151SC..SBendtrans-97.9149.5178.254.90000110.7T683 K693S681-T683 PolarHBondContact O-N 2.85Å; S681-K693 PolarHBondContact O-NZ 2.85Å
682K84.1Confident90.3Very high102 Ų10228.4 Ų28.444%0.44316%0.162SC..SBendtrans57.528.3-179.6-57.1179.1163.2-1690114.8D124 T126D124-K682 IonicContact OD2-NZ 3.59Å; D124-K682 PolarHBondContact OD2-NZ 2.92Å; T126-K682 HydrophobicContact CG2-CB 3.97Å; T126-K682 HydrophobicContact CG2-CD 4.36Å
683T86.9Confident90.4Very high1 Ų126.1 Ų26.11%0.00615%0.145CC..  trans-133166.8172.358.40000109.5N148 A643 N645 D680 S681 K689 K693N148-T683 CarbonylContact O-C 3.47Å; N148-T683 VanDerWaalsContact O-CA 3.28Å; N148-T683 WeakPolarHBondContact O-CA 3.27Å; N148-T683 PolarHBondContact O-N 2.93Å; A643-T683 VanDerWaalsContact CB-C 3.46Å; A643-T683 WeakPolarHBondContact CB-O 2.96Å; A643-T683 WeakPolarHBondContact CB-OG1 3.29Å; N645-T683 WeakPolarHBondContact CB-O 3.4Å; N645-T683 PolarHBondContact N-O 3.09Å; D680-T683 WeakPolarHBondContact CB-OG1 3.38Å; D680-T683 VanDerWaalsContact CG-OG1 3.31Å; D680-T683 WeakPolarHBondContact OD2-CG2 3.49Å; D680-T683 PolarHBondContact OD2-OG1 2.89Å; S681-T683 PolarHBondContact O-N 2.85Å; T683-K689 HydrophobicContact CG2-CG 4.19Å; T683-K693 HydrophobicContact CG2-CB 4.42Å; T683-K693 HydrophobicContact CG2-CD 4.26Å; T683-K693 HydrophobicContact CG2-CG 4.08Å
684G87.3Confident90.2Very high2 Ų228.7 Ų28.72%0.02116%0.157CC..  trans-128.9-145.7175.200000110.9N148 G149 A643 S686N148-G684 PolarHBondContact O-N 2.83Å; G149-G684 WeakPolarHBondContact O-CA 3.5Å; A643-G684 WeakPolarHBondContact CB-O 3.43Å; G684-S686 PolarHBondContact O-N 3.26Å
685H85.9Confident90.1Very high30 Ų3028.5 Ų28.514%0.13916%0.155CC..SBendtrans-57.8-46.3-166.2-157.858000114.9S560 V584 D646 R648 V649S560-H685 WeakPolarHBondContact CB-NE2 3.16Å; S560-H685 PolarHBondContact OG-NE2 3.24Å; V584-H685 WeakPolarHBondContact CG2-CE1 3.28Å; D646-H685 WeakPolarHBondContact OD1-CB 3.36Å; D646-H685 IonicContact OD1-CG 2.74Å; D646-H685 IonicContact OD1-ND1 3.84Å; D646-H685 PolarHBondContact OD1-ND1 3.16Å; D646-H685 VanDerWaalsContact OD1-ND1 3.13Å; D646-H685 WeakPolarHBondContact OD2-CA 3.26Å; D646-H685 IonicContact OD2-CE1 2.83Å; D646-H685 IonicContact OD2-CG 3.64Å; D646-H685 IonicContact OD2-ND1 3.04Å; D646-H685 PolarHBondContact OD2-ND1 3.47Å; R648-H685 HydrophobicContact CB-CB 3.76Å; R648-H685 HydrophobicContact CG-CB 4.48Å; V649-H685 VanDerWaalsContact CG2-CE1 3.41Å; V649-H685 WeakPolarHBondContact CG2-CE1 3.47Å
686S78.9Confident90.1Very high55 Ų5532 Ų3239%0.38517%0.172SC..SBendtrans177.8-30.9170.7178.60000111.2G684 G688 K689G684-S686 PolarHBondContact O-N 3.26Å; S686-G688 PolarHBondContact O-N 3.17Å; S686-K689 VanDerWaalsContact O-CB 3.25Å; S686-K689 WeakPolarHBondContact O-CB 3.19Å; S686-K689 PolarHBondContact O-N 3.25Å
687I76.2Confident90Very high84 Ų8432.8 Ų32.843%0.43118%0.175SC..THydrogen-bonded Turntrans-77.1130.7-167.3-47.6166.8000109.6K689I687-K689 PolarHBondContact O-N 3.41Å
688G79.8Confident89.9Confident19 Ų1933.4 Ų33.420%0.19618%0.179CC..THydrogen-bonded Turntrans75.57.6-173.900000113.8Q99 A128 S686Q99-G688 PolarHBondContact NE2-O 3.27Å; A128-G688 VanDerWaalsContact CB-CA 3.42Å; S686-G688 PolarHBondContact O-N 3.17Å
689K88.6Confident90Very high16 Ų1633 Ų337%0.0718%0.177CC..  trans-61.1129.6172.1178.7177.6-71.9175.60109.2T683 S686 I687 K693 H694 E697T683-K689 HydrophobicContact CG2-CG 4.19Å; S686-K689 VanDerWaalsContact O-CB 3.25Å; S686-K689 WeakPolarHBondContact O-CB 3.19Å; S686-K689 PolarHBondContact O-N 3.25Å; I687-K689 PolarHBondContact O-N 3.41Å; K689-K693 HydrophobicContact CD-CB 4.19Å; K689-K693 HydrophobicContact CG-CB 3.76Å; K689-H694 PolarHBondContact O-CD2 3.42Å; K689-E697 IonicContact NZ-OE1 2.67Å; K689-E697 IonicContact NZ-OE2 3.53Å; K689-E697 PolarHBondContact NZ-OE2 3.01Å
690P90.7Very high90.1Very high3 Ų332.6 Ų32.62%0.01918%0.175CC..  trans-55.5146.9178.1-30.537.6000113.6N98 G125 N692 K693 H694N98-P690 HydrophobicContact CB-CB 4.03Å; N98-P690 WeakPolarHBondContact O-CA 3.49Å; G125-P690 WeakPolarHBondContact O-CG 3.02Å; P690-N692 VanDerWaalsContact C-N 3.3Å; P690-N692 WeakPolarHBondContact CB-OD1 3.33Å; P690-N692 PolarHBondContact O-N 3.34Å; P690-K693 HydrophobicContact CB-CB 4.25Å; P690-K693 HydrophobicContact CB-CG 4.13Å; P690-K693 HydrophobicContact CG-CG 4.21Å; P690-K693 WeakPolarHBondContact O-CB 3.41Å; P690-K693 PolarHBondContact O-N 2.88Å; P690-K693 VanDerWaalsContact O-N 3.14Å; P690-H694 PolarHBondContact O-N 3.01Å
691V92.8Very high90.3Very high18 Ų1831.9 Ų31.911%0.10917%0.171CC..Hα-helixtrans-55.2-43.2176.9172.20000112.3E73 L96 Q97 N98 K693 H694 V695E73-V691 HydrophobicContact CG-CG1 3.78Å; L96-V691 HydrophobicContact CD2-CG1 4.37Å; Q97-V691 WeakPolarHBondContact O-CB 3.36Å; Q97-V691 WeakPolarHBondContact O-CG2 3.39Å; N98-V691 PolarHBondContact O-N 3.27Å; N98-V691 VanDerWaalsContact O-N 3.14Å; V691-K693 PolarHBondContact O-N 2.75Å; V691-H694 WeakPolarHBondContact O-CB 3.4Å; V691-H694 PolarHBondContact O-N 3.31Å; V691-V695 WeakPolarHBondContact O-CG2 3.22Å; V691-V695 PolarHBondContact O-N 3.04Å
692N93.1Very high90.8Very high64 Ų6429 Ų2934%0.34215%0.151SC..Hα-helixtrans-60.9-42178.366.3-20.1000112.6N98 P690 V695 E696N98-N692 VanDerWaalsContact OD1-CG 3.23Å; N98-N692 PolarHBondContact OD1-OD1 2.78Å; N98-N692 VanDerWaalsContact OD1-OD1 3.11Å; P690-N692 VanDerWaalsContact C-N 3.3Å; P690-N692 WeakPolarHBondContact CB-OD1 3.33Å; P690-N692 PolarHBondContact O-N 3.34Å; N692-V695 PolarHBondContact O-N 2.85Å; N692-E696 WeakPolarHBondContact O-CG 3.38Å; N692-E696 PolarHBondContact O-N 3.36Å
693K92.9Very high91.5Very high38 Ų3824.1 Ų24.117%0.16513%0.13CC..Hα-helixtrans-64.5-39.2176.2-73.3-71.1-160.11680111.7D680 S681 T683 K689 P690 V691 E696 E697D680-K693 IonicContact OD1-NZ 3.41Å; D680-K693 PolarHBondContact OD1-NZ 2.75Å; D680-K693 IonicContact OD2-NZ 3.66Å; S681-K693 PolarHBondContact O-NZ 2.85Å; T683-K693 HydrophobicContact CG2-CB 4.42Å; T683-K693 HydrophobicContact CG2-CD 4.26Å; T683-K693 HydrophobicContact CG2-CG 4.08Å; K689-K693 HydrophobicContact CD-CB 4.19Å; K689-K693 HydrophobicContact CG-CB 3.76Å; P690-K693 HydrophobicContact CB-CB 4.25Å; P690-K693 HydrophobicContact CB-CG 4.13Å; P690-K693 HydrophobicContact CG-CG 4.21Å; P690-K693 WeakPolarHBondContact O-CB 3.41Å; P690-K693 PolarHBondContact O-N 2.88Å; P690-K693 VanDerWaalsContact O-N 3.14Å; V691-K693 PolarHBondContact O-N 2.75Å; K693-E696 PolarHBondContact O-N 2.76Å; K693-E697 PolarHBondContact O-N 2.68Å
694H92Very high92.1Very high63 Ų6324.1 Ų24.129%0.29213%0.13SC..Hα-helixtrans-61.7-44.5172.5-87.6-59.4000112.3K689 P690 V691 E697 N698K689-H694 PolarHBondContact O-CD2 3.42Å; P690-H694 PolarHBondContact O-N 3.01Å; V691-H694 WeakPolarHBondContact O-CB 3.4Å; V691-H694 PolarHBondContact O-N 3.31Å; H694-E697 PolarHBondContact O-N 3.09Å; H694-N698 VanDerWaalsContact O-CG 3.27Å; H694-N698 PolarHBondContact O-N 2.84Å; H694-N698 PolarHBondContact O-ND2 2.66Å
695V95.3Very high92.6Very high4 Ų424 Ų242%0.02413%0.129CC..Hα-helixtrans-62-461761720000110.8L69 E73 V691 N692 E697 N698 V699L69-V695 HydrophobicContact CB-CG1 3.97Å; E73-V695 HydrophobicContact CB-CG2 4.23Å; E73-V695 HydrophobicContact CG-CG2 4.07Å; V691-V695 WeakPolarHBondContact O-CG2 3.22Å; V691-V695 PolarHBondContact O-N 3.04Å; N692-V695 PolarHBondContact O-N 2.85Å; V695-E697 PolarHBondContact O-N 3.18Å; V695-N698 PolarHBondContact O-N 2.93Å; V695-V699 HydrophobicContact CG1-CG2 4.3Å; V695-V699 VanDerWaalsContact O-CG2 3.3Å; V695-V699 WeakPolarHBondContact O-CG2 3.22Å; V695-V699 PolarHBondContact O-N 3.28Å
696E95.6Very high93.2Very high73 Ų7322.6 Ų22.634%0.34112%0.122SC..Hα-helixtrans-59.6-43.5178.4-74.5175.3175.300113N692 K693 N698 V699 D700N692-E696 WeakPolarHBondContact O-CG 3.38Å; N692-E696 PolarHBondContact O-N 3.36Å; K693-E696 PolarHBondContact O-N 2.76Å; E696-N698 VanDerWaalsContact C-N 3.35Å; E696-N698 PolarHBondContact O-N 3.26Å; E696-V699 WeakPolarHBondContact O-CB 3.01Å; E696-V699 PolarHBondContact O-N 3.01Å; E696-D700 PolarHBondContact O-N 2.86Å
697E96.6Very high94.1Very high17 Ų1722 Ų228%0.07911%0.113CC..Hα-helixtrans-62-43175.2-169.6175.511800111.6Q583 L641 K689 K693 H694 V695 V699 D700 I701Q583-E697 PolarHBondContact NE2-OE1 3.04Å; L641-E697 HydrophobicContact CD1-CG 3.83Å; K689-E697 IonicContact NZ-OE1 2.67Å; K689-E697 IonicContact NZ-OE2 3.53Å; K689-E697 PolarHBondContact NZ-OE2 3.01Å; K693-E697 PolarHBondContact O-N 2.68Å; H694-E697 PolarHBondContact O-N 3.09Å; V695-E697 PolarHBondContact O-N 3.18Å; E697-V699 PolarHBondContact O-N 2.92Å; E697-D700 PolarHBondContact O-N 2.93Å; E697-I701 HydrophobicContact CG-CD1 4.28Å; E697-I701 WeakPolarHBondContact O-CG1 3.46Å; E697-I701 PolarHBondContact O-N 3.31Å
698N97.4Very high95.1Very high16 Ų1618.4 Ų18.49%0.0869%0.094CC..Hα-helixtrans-65.1-38.2176.5-70.8-17.8000112.3L69 L493 H694 V695 E696 D700 I701 L702L69-N698 HydrophobicContact CD1-CB 3.72Å; L493-N698 HydrophobicContact CB-CB 4.34Å; L493-N698 HydrophobicContact CD1-CB 4.12Å; H694-N698 VanDerWaalsContact O-CG 3.27Å; H694-N698 PolarHBondContact O-N 2.84Å; H694-N698 PolarHBondContact O-ND2 2.66Å; V695-N698 PolarHBondContact O-N 2.93Å; E696-N698 VanDerWaalsContact C-N 3.35Å; E696-N698 PolarHBondContact O-N 3.26Å; N698-D700 VanDerWaalsContact C-N 3.32Å; N698-D700 PolarHBondContact O-N 3.34Å; N698-I701 PolarHBondContact O-N 3.07Å; N698-L702 WeakPolarHBondContact O-CG 3.45Å; N698-L702 PolarHBondContact O-N 2.92Å
699V98.2Very high95.8Very high2 Ų218.7 Ų18.71%0.0129%0.091CC..Hα-helixtrans-58.8-47.2173171.40000110R62 I65 K66 L69 V695 E696 E697 L702 C703R62-V699 HydrophobicContact CG-CG1 4Å; I65-V699 HydrophobicContact CG2-CB 4.46Å; I65-V699 HydrophobicContact CG2-CG1 4.37Å; I65-V699 HydrophobicContact CG2-CG2 4.25Å; K66-V699 HydrophobicContact CB-CG1 4.38Å; K66-V699 HydrophobicContact CB-CG2 3.78Å; K66-V699 HydrophobicContact CG-CG2 4.09Å; L69-V699 HydrophobicContact CD1-CB 4.4Å; L69-V699 HydrophobicContact CD1-CG2 3.64Å; V695-V699 HydrophobicContact CG1-CG2 4.3Å; V695-V699 VanDerWaalsContact O-CG2 3.3Å; V695-V699 WeakPolarHBondContact O-CG2 3.22Å; V695-V699 PolarHBondContact O-N 3.28Å; E696-V699 WeakPolarHBondContact O-CB 3.01Å; E696-V699 PolarHBondContact O-N 3.01Å; E697-V699 PolarHBondContact O-N 2.92Å; V699-L702 PolarHBondContact O-N 2.78Å; V699-C703 WeakPolarHBondContact O-CB 3.26Å; V699-C703 PolarHBondContact O-N 2.72Å; V699-C703 PolarHBondContact O-SG 3.42Å
700D98.1Very high96.2Very high2 Ų224.9 Ų24.91%0.01113%0.125CC..Hα-helixtrans-63.7-42.5-179.5-72.9-20.2000112.1L56 R62 K678 E696 E697 N698 C703 F704L56-D700 HydrophobicContact CD1-CB 3.94Å; R62-D700 IonicContact CZ-OD1 3.67Å; R62-D700 VanDerWaalsContact CZ-OD1 3.24Å; R62-D700 IonicContact NH1-OD1 3.46Å; R62-D700 PolarHBondContact NH1-OD1 2.77Å; R62-D700 IonicContact NH2-OD1 3.17Å; R62-D700 PolarHBondContact NH2-OD1 3.14Å; K678-D700 WeakPolarHBondContact CD-OD2 3.45Å; K678-D700 WeakPolarHBondContact CE-OD2 3.04Å; K678-D700 IonicContact NZ-OD2 3.62Å; K678-D700 PolarHBondContact NZ-OD2 3.1Å; E696-D700 PolarHBondContact O-N 2.86Å; E697-D700 PolarHBondContact O-N 2.93Å; N698-D700 VanDerWaalsContact C-N 3.32Å; N698-D700 PolarHBondContact O-N 3.34Å; D700-C703 PolarHBondContact O-N 3.29Å; D700-F704 WeakPolarHBondContact O-CB 3.46Å; D700-F704 PolarHBondContact O-N 3.34Å
701I98.6Very high96.5Very high0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-59.2-49.8175.1-68.4166.3000110.7L493 M557 I581 L639 L641 E697 N698 C703 F704 I705L493-I701 HydrophobicContact CD1-CB 4.41Å; L493-I701 HydrophobicContact CD1-CG2 4.14Å; L493-I701 HydrophobicContact CD2-CD1 4.08Å; L493-I701 HydrophobicContact CD2-CG2 4.19Å; M557-I701 HydrophobicContact CE-CD1 3.83Å; I581-I701 HydrophobicContact CD1-CG2 4.4Å; I581-I701 HydrophobicContact CG1-CG2 4.25Å; I581-I701 HydrophobicContact CG2-CD1 4.17Å; I581-I701 HydrophobicContact CG2-CG1 4.02Å; I581-I701 HydrophobicContact CG2-CG2 4.42Å; L639-I701 HydrophobicContact CD2-CG1 4.49Å; L641-I701 HydrophobicContact CD1-CD1 3.76Å; L641-I701 HydrophobicContact CD1-CG1 3.68Å; E697-I701 HydrophobicContact CG-CD1 4.28Å; E697-I701 WeakPolarHBondContact O-CG1 3.46Å; E697-I701 PolarHBondContact O-N 3.31Å; N698-I701 PolarHBondContact O-N 3.07Å; I701-C703 PolarHBondContact O-N 2.91Å; I701-F704 PolarHBondContact O-N 3.08Å; I701-I705 HydrophobicContact CG2-CD1 3.85Å; I701-I705 WeakPolarHBondContact O-CG1 3.42Å; I701-I705 PolarHBondContact O-N 3.04Å
702L98.6Very high96.6Very high0 Ų033 Ų330%016%0.16CC..Hα-helixtrans-66.4-37.5-179.7-68.2178000112.3I65 L69 L493 A496 F497 F501 N698 V699 G706 W713I65-L702 HydrophobicContact CD1-CB 4.16Å; I65-L702 HydrophobicContact CG2-CB 3.97Å; I65-L702 HydrophobicContact CG2-CD1 3.72Å; I65-L702 HydrophobicContact CG2-CG 4.49Å; L69-L702 HydrophobicContact CD1-CD1 3.94Å; L69-L702 HydrophobicContact CD2-CD1 4.35Å; L69-L702 HydrophobicContact CG-CD1 4.31Å; L493-L702 HydrophobicContact CD1-CD1 4.12Å; L493-L702 HydrophobicContact CD1-CD2 3.64Å; L493-L702 HydrophobicContact CD1-CG 3.59Å; A496-L702 HydrophobicContact CB-CD1 4.18Å; F497-L702 HydrophobicContact CB-CD2 3.92Å; F497-L702 HydrophobicContact CD2-CD2 4.08Å; F501-L702 HydrophobicContact CD2-CD2 4.35Å; F501-L702 HydrophobicContact CE2-CB 4.22Å; F501-L702 HydrophobicContact CE2-CD2 3.97Å; N698-L702 WeakPolarHBondContact O-CG 3.45Å; N698-L702 PolarHBondContact O-N 2.92Å; V699-L702 PolarHBondContact O-N 2.78Å; L702-G706 PolarHBondContact O-N 2.92Å; L702-W713 HydrophobicContact CD1-CH2 4.18Å; L702-W713 HydrophobicContact CD1-CZ3 4.19Å
703C98.4Very high96.8Very high0 Ų030.8 Ų30.80%015%0.146CC..Hα-helixtrans-63.5-42.5174.4-70.10000111.4L56 Y59 V699 D700 I701 K707L56-C703 HydrophobicContact CD2-CB 4.49Å; Y59-C703 HydrophobicContact CD1-CB 4.11Å; Y59-C703 HydrophobicContact CG-CB 4.4Å; V699-C703 WeakPolarHBondContact O-CB 3.26Å; V699-C703 PolarHBondContact O-N 2.72Å; V699-C703 PolarHBondContact O-SG 3.42Å; D700-C703 PolarHBondContact O-N 3.29Å; I701-C703 PolarHBondContact O-N 2.91Å; C703-K707 WeakPolarHBondContact O-CB 3.45Å; C703-K707 PolarHBondContact O-N 2.58Å
704F98.6Very high96.7Very high0 Ų031.3 Ų31.30%016%0.162CC..Hα-helixtrans-62.1-51.8177.9-173.3-103.9000111.5Y55 L56 C579 I581 A637 L639 P674 L676 D700 I701 K707 V708Y55-F704 HydrophobicContact CD1-CD2 4.43Å; Y55-F704 HydrophobicContact CE1-CD2 4.12Å; Y55-F704 HydrophobicContact CE1-CE2 4.27Å; L56-F704 HydrophobicContact CD2-CB 3.73Å; L56-F704 HydrophobicContact CD2-CD2 4.09Å; L56-F704 HydrophobicContact CD2-CG 4.41Å; C579-F704 HydrophobicContact CB-CE1 4.08Å; I581-F704 HydrophobicContact CD1-CD1 3.6Å; I581-F704 HydrophobicContact CD1-CE1 4.13Å; I581-F704 HydrophobicContact CD1-CG 4.49Å; A637-F704 HydrophobicContact CB-CE1 4.09Å; A637-F704 HydrophobicContact CB-CZ 3.78Å; L639-F704 HydrophobicContact CB-CD1 3.88Å; L639-F704 HydrophobicContact CB-CD2 4.24Å; L639-F704 HydrophobicContact CB-CE1 3.88Å; L639-F704 HydrophobicContact CB-CE2 4.27Å; L639-F704 HydrophobicContact CB-CG 4.04Å; L639-F704 HydrophobicContact CB-CZ 4.08Å; L639-F704 HydrophobicContact CD2-CB 3.96Å; L639-F704 HydrophobicContact CD2-CD1 4.5Å; L639-F704 HydrophobicContact CD2-CG 4.12Å; P674-F704 HydrophobicContact CB-CE2 4.35Å; P674-F704 HydrophobicContact CG-CE2 3.86Å; P674-F704 HydrophobicContact CG-CZ 4.11Å; L676-F704 HydrophobicContact CD1-CD2 3.84Å; L676-F704 HydrophobicContact CD1-CE2 3.69Å; L676-F704 HydrophobicContact CG-CE2 4.16Å; D700-F704 WeakPolarHBondContact O-CB 3.46Å; D700-F704 PolarHBondContact O-N 3.34Å; I701-F704 PolarHBondContact O-N 3.08Å; F704-K707 PolarHBondContact O-N 3.25Å; F704-V708 HydrophobicContact CD1-CG2 4.27Å; F704-V708 HydrophobicContact CD2-CG2 4.31Å; F704-V708 HydrophobicContact CE1-CG2 4.01Å; F704-V708 HydrophobicContact CE2-CG2 4.03Å; F704-V708 HydrophobicContact CG-CG2 4.44Å; F704-V708 HydrophobicContact CZ-CG2 3.88Å; F704-V708 WeakPolarHBondContact O-CB 3.11Å; F704-V708 VanDerWaalsContact O-CG2 3.26Å; F704-V708 WeakPolarHBondContact O-CG2 3.49Å; F704-V708 PolarHBondContact O-N 3.32Å
705I98.5Very high96.3Very high0 Ų032 Ų320%017%0.165CC..Hα-helixtrans-60.6-50.2179.1-65.2172.4000110.2I475 F497 I581 I701 K707 V708 M709 L711I475-I705 HydrophobicContact CD1-CD1 3.61Å; I475-I705 HydrophobicContact CG1-CD1 4Å; F497-I705 HydrophobicContact CE2-CG2 4.02Å; I581-I705 HydrophobicContact CD1-CG1 4.39Å; I581-I705 HydrophobicContact CG1-CD1 4.43Å; I701-I705 HydrophobicContact CG2-CD1 3.85Å; I701-I705 WeakPolarHBondContact O-CG1 3.42Å; I701-I705 PolarHBondContact O-N 3.04Å; I705-K707 VanDerWaalsContact C-N 3.3Å; I705-K707 PolarHBondContact O-N 2.83Å; I705-V708 PolarHBondContact O-N 2.78Å; I705-M709 HydrophobicContact CG2-CE 4.43Å; I705-M709 HydrophobicContact CG2-SD 3.85Å; I705-M709 WeakPolarHBondContact O-CB 3.37Å; I705-M709 PolarHBondContact O-N 2.59Å; I705-L711 HydrophobicContact CG2-CD1 4.26Å
706G98.1Very high96.4Very high0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-57.5-41.7179.800000112.6Y59 L702 N710 L711Y59-G706 WeakPolarHBondContact CE2-O 3.39Å; L702-G706 PolarHBondContact O-N 2.92Å; G706-N710 CarbonylContact O-C 3.09Å; G706-N710 WeakPolarHBondContact O-CA 3.47Å; G706-N710 PolarHBondContact O-N 3.47Å; G706-L711 PolarHBondContact O-N 2.79Å
707K97.3Very high96.4Very high44 Ų4431.3 Ų31.319%0.19116%0.163CC..Hα-helixtrans-71.5-47.3178.2-171.2167.3172.61750112.4Y55 Q58 Y59 C703 F704 I705 M709 N710Y55-K707 HydrophobicContact CD1-CD 4.13Å; Y55-K707 HydrophobicContact CE1-CB 4.48Å; Y55-K707 HydrophobicContact CE1-CD 3.57Å; Y55-K707 HydrophobicContact CE1-CG 4.14Å; Y55-K707 HydrophobicContact CE2-CD 4.17Å; Y55-K707 VanDerWaalsContact CE2-CE 3.49Å; Y55-K707 VanDerWaalsContact CZ-CE 3.41Å; Y55-K707 PolarHBondContact O-NZ 3.11Å; Q58-K707 VanDerWaalsContact CB-NZ 3.3Å; Y59-K707 HydrophobicContact CD2-CB 3.66Å; Y59-K707 HydrophobicContact CD2-CG 4.34Å; Y59-K707 HydrophobicContact CE2-CB 4.33Å; Y59-K707 HydrophobicContact CG-CB 4.26Å; C703-K707 WeakPolarHBondContact O-CB 3.45Å; C703-K707 PolarHBondContact O-N 2.58Å; F704-K707 PolarHBondContact O-N 3.25Å; I705-K707 VanDerWaalsContact C-N 3.3Å; I705-K707 PolarHBondContact O-N 2.83Å; K707-M709 VanDerWaalsContact C-N 3.33Å; K707-M709 PolarHBondContact O-N 3.12Å; K707-N710 PolarHBondContact O-N 3.29Å
708V97Very high96.4Very high7 Ų732.1 Ų32.14%0.04217%0.167CC..Hα-helixtrans-63.9-38.3-178.1166.10000112.2R578 C579 A637 P674 F704 I705R578-V708 HydrophobicContact CG-CG1 3.85Å; R578-V708 PolarHBondContact NE-O 3.34Å; R578-V708 PolarHBondContact NH2-O 2.98Å; C579-V708 HydrophobicContact CB-CG1 4.32Å; A637-V708 HydrophobicContact CB-CB 4.19Å; A637-V708 HydrophobicContact CB-CG1 3.5Å; A637-V708 VanDerWaalsContact CB-CG1 3.5Å; A637-V708 HydrophobicContact CB-CG2 3.56Å; P674-V708 HydrophobicContact CG-CG2 3.77Å; F704-V708 HydrophobicContact CD1-CG2 4.27Å; F704-V708 HydrophobicContact CD2-CG2 4.31Å; F704-V708 HydrophobicContact CE1-CG2 4.01Å; F704-V708 HydrophobicContact CE2-CG2 4.03Å; F704-V708 HydrophobicContact CG-CG2 4.44Å; F704-V708 HydrophobicContact CZ-CG2 3.88Å; F704-V708 WeakPolarHBondContact O-CB 3.11Å; F704-V708 VanDerWaalsContact O-CG2 3.26Å; F704-V708 WeakPolarHBondContact O-CG2 3.49Å; F704-V708 PolarHBondContact O-N 3.32Å; I705-V708 PolarHBondContact O-N 2.78Å
709M96.5Very high96.4Very high25 Ų2533 Ų3312%0.12317%0.172CC..THydrogen-bonded Turntrans-93.31.2179.8-68.8178.4-177.800113.2P473 K553 C555 R578 I705 K707 L711P473-M709 HydrophobicContact CB-SD 3.92Å; K553-M709 WeakPolarHBondContact O-CE 3.45Å; C555-M709 HydrophobicContact CB-CE 4.01Å; R578-M709 HydrophobicContact CB-CE 3.92Å; R578-M709 HydrophobicContact CG-CE 4.01Å; R578-M709 HydrophobicContact CG-CG 3.86Å; I705-M709 HydrophobicContact CG2-CE 4.43Å; I705-M709 HydrophobicContact CG2-SD 3.85Å; I705-M709 WeakPolarHBondContact O-CB 3.37Å; I705-M709 PolarHBondContact O-N 2.59Å; K707-M709 VanDerWaalsContact C-N 3.33Å; K707-M709 PolarHBondContact O-N 3.12Å; M709-L711 VanDerWaalsContact C-N 3.28Å; M709-L711 HydrophobicContact CB-CD1 3.9Å; M709-L711 HydrophobicContact CB-CD2 3.9Å; M709-L711 HydrophobicContact CB-CG 3.61Å; M709-L711 PolarHBondContact O-N 2.92Å; M709-L711 HydrophobicContact SD-CD1 4.22Å
710N95.9Very high96.2Very high146 Ų14634.9 Ų34.978%0.78118%0.182SC*.THydrogen-bonded Turntrans51.845.4-177.3-17150.8000112.8G706 K707G706-N710 CarbonylContact O-C 3.09Å; G706-N710 WeakPolarHBondContact O-CA 3.47Å; G706-N710 PolarHBondContact O-N 3.47Å; K707-N710 PolarHBondContact O-N 3.29Å
711L96.5Very high96.1Very high28 Ų2837.1 Ų37.115%0.14719%0.194CC..PPolyproline II helixtrans-84.4153.7-179.5-53175.1000110.4Y59 P473 F501 I705 G706 M709Y59-L711 PolarHBondContact OH-O 3.03Å; P473-L711 HydrophobicContact CB-CD1 3.62Å; P473-L711 HydrophobicContact CB-CD2 4.07Å; P473-L711 HydrophobicContact CG-CD1 3.86Å; P473-L711 HydrophobicContact CG-CD2 4.05Å; F501-L711 HydrophobicContact CB-CD1 4.23Å; F501-L711 HydrophobicContact CD1-CB 3.64Å; F501-L711 HydrophobicContact CD1-CD1 3.95Å; F501-L711 HydrophobicContact CD1-CG 4.43Å; F501-L711 HydrophobicContact CD2-CD1 4.3Å; F501-L711 HydrophobicContact CE1-CB 3.74Å; F501-L711 HydrophobicContact CE1-CD1 4.35Å; F501-L711 HydrophobicContact CG-CB 4.45Å; F501-L711 HydrophobicContact CG-CD1 3.93Å; I705-L711 HydrophobicContact CG2-CD1 4.26Å; G706-L711 PolarHBondContact O-N 2.79Å; M709-L711 VanDerWaalsContact C-N 3.28Å; M709-L711 HydrophobicContact CB-CD1 3.9Å; M709-L711 HydrophobicContact CB-CD2 3.9Å; M709-L711 HydrophobicContact CB-CG 3.61Å; M709-L711 PolarHBondContact O-N 2.92Å; M709-L711 HydrophobicContact SD-CD1 4.22Å
712K96.2Very high95.9Very high164 Ų16439.8 Ų39.871%0.71321%0.207SC*.PPolyproline II helixtrans-98.2140165.6-66-175178.1-179.20108.7Y61 F501Y61-K712 HydrophobicContact CE2-CB 4.18Å; Y61-K712 HydrophobicContact CE2-CG 4.32Å; F501-K712 WeakPolarHBondContact CD1-O 3.3Å
713W96.3Very high95.7Very high17 Ų1742.8 Ų42.86%0.06422%0.223CC..PPolyproline II helixtrans-84.9129170.8-177.6-105.9000109.9Y61 S64 I65 R68 A496 G500 F501 L702 F715Y61-W713 HydrophobicContact CD1-CB 3.78Å; Y61-W713 HydrophobicContact CD2-CB 4.04Å; Y61-W713 HydrophobicContact CE1-CB 4.48Å; Y61-W713 HydrophobicContact CG-CB 3.51Å; S64-W713 VanDerWaalsContact OG-CD1 3.32Å; S64-W713 PolarHBondContact OG-NE1 3.3Å; I65-W713 HydrophobicContact CD1-CD2 4.19Å; I65-W713 HydrophobicContact CD1-CE3 4.09Å; I65-W713 HydrophobicContact CD1-CG 4.45Å; I65-W713 HydrophobicContact CG1-CB 4.49Å; I65-W713 HydrophobicContact CG1-CD2 3.47Å; I65-W713 VanDerWaalsContact CG1-CD2 3.47Å; I65-W713 HydrophobicContact CG1-CE3 3.71Å; I65-W713 HydrophobicContact CG1-CG 3.84Å; I65-W713 HydrophobicContact CG1-CH2 4.28Å; I65-W713 HydrophobicContact CG1-CZ2 4.08Å; I65-W713 HydrophobicContact CG1-CZ3 4.1Å; R68-W713 HydrophobicContact CB-CZ2 4.18Å; R68-W713 HydrophobicContact CG-CZ2 4.36Å; A496-W713 HydrophobicContact CB-CH2 4.25Å; A496-W713 VanDerWaalsContact O-CH2 3.3Å; A496-W713 WeakPolarHBondContact O-CH2 3.39Å; G500-W713 VanDerWaalsContact CA-CZ3 3.49Å; G500-W713 WeakPolarHBondContact O-CA 3.36Å; F501-W713 AromaticContact CD1-CE3 4Å; F501-W713 HydrophobicContact CD1-CE3 4Å; F501-W713 HydrophobicContact CD2-CE3 4.17Å; F501-W713 HydrophobicContact CD2-CZ3 4.09Å; F501-W713 HydrophobicContact CE1-CB 4.24Å; F501-W713 AromaticContact CE1-CE3 3.74Å; F501-W713 HydrophobicContact CE1-CE3 3.74Å; F501-W713 AromaticContact CE2-CE3 3.95Å; F501-W713 HydrophobicContact CE2-CE3 3.95Å; F501-W713 HydrophobicContact CE2-CZ3 4.01Å; F501-W713 HydrophobicContact CG-CE3 4.2Å; F501-W713 HydrophobicContact CG-CZ3 4.43Å; F501-W713 AromaticContact CZ-CE3 3.73Å; F501-W713 HydrophobicContact CZ-CE3 3.73Å; F501-W713 HydrophobicContact CZ-CZ3 4.26Å; L702-W713 HydrophobicContact CD1-CH2 4.18Å; L702-W713 HydrophobicContact CD1-CZ3 4.19Å; W713-F715 HydrophobicContact CH2-CD2 4.12Å; W713-F715 HydrophobicContact CZ2-CB 4.13Å; W713-F715 AromaticContact CZ2-CD2 3.69Å; W713-F715 HydrophobicContact CZ2-CD2 3.69Å; W713-F715 HydrophobicContact CZ2-CG 4.36Å
714G90.8Very high95.5Very high49 Ų4946.4 Ų46.451%0.50524%0.242SC..  trans-148104.6172.600000109.2G500G500-G714 CarbonylContact C-O 3.59Å; G500-G714 WeakPolarHBondContact CA-O 3.39Å; G500-G714 PolarHBondContact O-N 3.01Å
715F84.5Confident95.2Very high77 Ų7750.6 Ų50.634%0.33826%0.264SS..  trans-102.10179.8-161.7-72.1000111.8R68 I72 I433 K499 W713R68-F715 HydrophobicContact CG-CB 4.01Å; R68-F715 HydrophobicContact CG-CD1 3.77Å; R68-F715 HydrophobicContact CG-CD2 3.46Å; R68-F715 VanDerWaalsContact CG-CD2 3.46Å; R68-F715 HydrophobicContact CG-CE1 4.09Å; R68-F715 HydrophobicContact CG-CE2 3.74Å; R68-F715 HydrophobicContact CG-CG 3.43Å; R68-F715 VanDerWaalsContact CG-CG 3.43Å; R68-F715 HydrophobicContact CG-CZ 4.01Å; R68-F715 VanDerWaalsContact CZ-CD1 3.44Å; I72-F715 HydrophobicContact CD1-CE2 3.56Å; I72-F715 HydrophobicContact CD1-CZ 3.75Å; I72-F715 HydrophobicContact CG1-CE2 4.4Å; I72-F715 HydrophobicContact CG1-CZ 4.1Å; I433-F715 HydrophobicContact CG1-CZ 4.4Å; K499-F715 HydrophobicContact CB-CD2 4.16Å; K499-F715 HydrophobicContact CB-CE2 3.79Å; K499-F715 HydrophobicContact CB-CZ 4.16Å; K499-F715 HydrophobicContact CD-CD1 4.02Å; K499-F715 HydrophobicContact CD-CD2 4.41Å; K499-F715 HydrophobicContact CD-CE1 3.36Å; K499-F715 HydrophobicContact CD-CE2 3.89Å; K499-F715 HydrophobicContact CD-CZ 3.38Å; K499-F715 WeakPolarHBondContact CE-OXT 3.45Å; K499-F715 HydrophobicContact CG-CD1 4.14Å; K499-F715 HydrophobicContact CG-CD2 3.92Å; K499-F715 HydrophobicContact CG-CE1 3.9Å; K499-F715 HydrophobicContact CG-CE2 3.76Å; K499-F715 HydrophobicContact CG-CG 4.15Å; K499-F715 HydrophobicContact CG-CZ 3.8Å; W713-F715 HydrophobicContact CH2-CD2 4.12Å; W713-F715 HydrophobicContact CZ2-CB 4.13Å; W713-F715 AromaticContact CZ2-CD2 3.69Å; W713-F715 HydrophobicContact CZ2-CD2 3.69Å; W713-F715 HydrophobicContact CZ2-CG 4.36Å

Retrieved 715 of 715 residues in 3231.6 ms (Link to these results)

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