A0A077Z206_TRITR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A077Z206, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 206 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
1M46.9Very low54.9Low243 Ų243153.8 Ų153.8100%1.19784%0.844SS**  092.30-68.9-174.3175.400109.3
2I50.6Low54.5Low170 Ų170144.8 Ų144.887%0.87281%0.813SS**  trans-139.9109.3151-58.6-177.9000104.5Q4I2-Q4 PolarHBondContact O-N 2.85Å
3A56.3Low54.2Low93 Ų93142 Ų14277%0.76982%0.819SS**  trans-67.6128-175.800000110.2R5A3-R5 PolarHBondContact O-N 3.24Å; A3-R5 VanDerWaalsContact O-N 3.15Å
4Q59.2Low54.3Low192 Ų192141.6 Ų141.690%0.89781%0.813SS**  trans-61112.4167.4-64.8173.5400107.5I2 G6I2-Q4 PolarHBondContact O-N 2.85Å; Q4-G6 PolarHBondContact O-N 3.4Å
5R60.8Low55Low243 Ų243139.1 Ų139.192%0.91779%0.786SS**  trans-69.199.8168.5-79.8-175.8144.396.4-0.9107.1A3 L7A3-R5 PolarHBondContact O-N 3.24Å; A3-R5 VanDerWaalsContact O-N 3.15Å; R5-L7 PolarHBondContact O-N 2.89Å
6G60.3Low56.6Low68 Ų68142.1 Ų142.170%0.70178%0.782SS**PPolyproline II helixtrans-53.8127173.100000110.6Q4Q4-G6 PolarHBondContact O-N 3.4Å
7L58.9Low58.1Low163 Ų163136.9 Ų136.985%0.85375%0.75SS**PPolyproline II helixtrans-66.7125.2164.9-76.3147.9000107.6R5 C9R5-L7 PolarHBondContact O-N 2.89Å; L7-C9 PolarHBondContact O-N 3.38Å
8P63.8Low59.5Low98 Ų98131.6 Ų131.664%0.63672%0.724SS**PPolyproline II helixtrans-67.5128173.726.6-31.1000109.2F10P8-F10 HydrophobicContact CB-CD2 4.49Å; P8-F10 HydrophobicContact CG-CD2 4.31Å; P8-F10 HydrophobicContact CG-CE2 4.18Å; P8-F10 PolarHBondContact O-N 2.89Å
9C47.1Very low60.8Low121 Ų121128.7 Ų128.782%0.81870%0.701SS**  trans-64.9100.9169.3-46.20000107.7L7 S11L7-C9 PolarHBondContact O-N 3.38Å; C9-S11 PolarHBondContact O-N 2.98Å
10F49.4Very low62Low185 Ų185124.7 Ų124.781%0.81169%0.686SS**  trans-8080.2168.6-95.9-92.7000108.5P8 G12P8-F10 HydrophobicContact CB-CD2 4.49Å; P8-F10 HydrophobicContact CG-CD2 4.31Å; P8-F10 HydrophobicContact CG-CE2 4.18Å; P8-F10 PolarHBondContact O-N 2.89Å; F10-G12 PolarHBondContact O-N 2.94Å
11S50.5Low63Low116 Ų116119.3 Ų119.381%0.81166%0.657SS**  trans-77.5107.215953.60000107.8C9C9-S11 PolarHBondContact O-N 2.98Å
12G49.8Very low64.7Low46 Ų46115.9 Ų115.947%0.47464%0.638SS.*  trans174.594175.200000109.6F10 D14F10-G12 PolarHBondContact O-N 2.94Å; G12-D14 PolarHBondContact O-N 3.29Å
13A50.5Low66.3Low108 Ų108111.8 Ų111.889%0.89362%0.615SS**  trans-65.780.1163.400000107.4Y15A13-Y15 VanDerWaalsContact C-N 3.29Å; A13-Y15 PolarHBondContact O-N 2.88Å
14D56.5Low67.4Low136 Ų136111.9 Ų111.973%0.72762%0.616SS**  trans-74.389.6179.5-68.2-23.1000107.9G12 Y16G12-D14 PolarHBondContact O-N 3.29Å; D14-Y16 PolarHBondContact O-N 3.39Å
15Y64.8Low68.6Low104 Ų104109.6 Ų109.641%0.40861%0.61SS.*  trans-40.6113.3166.2176.6-89.3000109.3A13 K17 A31 D142A13-Y15 VanDerWaalsContact C-N 3.29Å; A13-Y15 PolarHBondContact O-N 2.88Å; Y15-K17 HydrophobicContact CD1-CD 4Å; Y15-K17 HydrophobicContact CD1-CG 3.5Å; Y15-K17 HydrophobicContact CE1-CD 4.19Å; Y15-K17 HydrophobicContact CE1-CG 3.76Å; Y15-K17 PolarHBondContact O-N 3.11Å; Y15-K17 VanDerWaalsContact O-N 3.08Å; Y15-A31 HydrophobicContact CE1-CB 3.61Å; Y15-A31 WeakPolarHBondContact OH-CB 3.42Å; Y15-D142 VanDerWaalsContact CE2-OD1 3.25Å; Y15-D142 WeakPolarHBondContact CE2-OD1 3.37Å; Y15-D142 WeakPolarHBondContact CE2-OD2 3.03Å; Y15-D142 VanDerWaalsContact CZ-OD1 3.26Å; Y15-D142 PolarHBondContact OH-OD1 2.92Å
16Y80.7Confident69.5Low187 Ų18798.7 Ų98.773%0.73357%0.571SS**  trans-66.5109.4-172.4176.9-109.1000110D14 P18D14-Y16 PolarHBondContact O-N 3.39Å; Y16-P18 HydrophobicContact CD1-CB 4.29Å; Y16-P18 HydrophobicContact CD1-CG 3.9Å; Y16-P18 HydrophobicContact CE1-CB 3.53Å; Y16-P18 HydrophobicContact CE1-CG 3.5Å; Y16-P18 VanDerWaalsContact CE1-CG 3.5Å; Y16-P18 WeakPolarHBondContact O-CD 3.19Å
17K82.1Confident70.5Confident55 Ų55103 Ų10324%0.23958%0.578CS.*  trans-106.784.8175.9-60-172.3-177.5-166.40110.4Y15 Y19 R29 F30 D140Y15-K17 HydrophobicContact CD1-CD 4Å; Y15-K17 HydrophobicContact CD1-CG 3.5Å; Y15-K17 HydrophobicContact CE1-CD 4.19Å; Y15-K17 HydrophobicContact CE1-CG 3.76Å; Y15-K17 PolarHBondContact O-N 3.11Å; Y15-K17 VanDerWaalsContact O-N 3.08Å; K17-Y19 VanDerWaalsContact C-N 3.32Å; K17-Y19 PolarHBondContact O-N 3.46Å; K17-R29 HydrophobicContact CB-CB 3.72Å; K17-R29 WeakPolarHBondContact CD-O 3.35Å; K17-R29 PolarHBondContact O-NE 3.12Å; K17-R29 PolarHBondContact O-NH2 3.34Å; K17-F30 CarbonylContact C-O 3.48Å; K17-F30 VanDerWaalsContact C-O 3.3Å; K17-F30 WeakPolarHBondContact CA-O 3.41Å; K17-D140 IonicContact NZ-OD1 2.69Å; K17-D140 PolarHBondContact NZ-OD1 2.98Å; K17-D140 IonicContact NZ-OD2 3.73Å
18P83.4Confident71.7Confident41 Ų41101.2 Ų101.227%0.26656%0.563SS.*  trans-69.9-23.8-174.421.2-28.5000114.3Y16Y16-P18 HydrophobicContact CD1-CB 4.29Å; Y16-P18 HydrophobicContact CD1-CG 3.9Å; Y16-P18 HydrophobicContact CE1-CB 3.53Å; Y16-P18 HydrophobicContact CE1-CG 3.5Å; Y16-P18 VanDerWaalsContact CE1-CG 3.5Å; Y16-P18 WeakPolarHBondContact O-CD 3.19Å
19Y83Confident72.6Confident76 Ų76103.4 Ų103.430%0.29856%0.559SS.*EExtended strand (participates in β ladder)trans-99.3108.2-169.6-59-69.1000111.2K17 R29 F30 A31 N32 K33K17-Y19 VanDerWaalsContact C-N 3.32Å; K17-Y19 PolarHBondContact O-N 3.46Å; Y19-R29 CarbonylContact O-C 3.3Å; Y19-R29 VanDerWaalsContact O-CA 3.27Å; Y19-R29 WeakPolarHBondContact O-CA 3.18Å; Y19-F30 PolarHBondContact N-O 2.94Å; Y19-F30 PolarHBondContact O-N 3.38Å; Y19-A31 WeakPolarHBondContact CD2-O 3.47Å; Y19-A31 VanDerWaalsContact CE2-O 3.3Å; Y19-A31 WeakPolarHBondContact CE2-O 3.44Å; Y19-N32 VanDerWaalsContact CE2-CA 3.43Å; Y19-K33 HydrophobicContact CD1-CG 3.64Å; Y19-K33 HydrophobicContact CD2-CG 4.35Å; Y19-K33 HydrophobicContact CE1-CD 3.95Å; Y19-K33 VanDerWaalsContact CE1-CE 3.41Å; Y19-K33 HydrophobicContact CE1-CG 3.22Å; Y19-K33 HydrophobicContact CE2-CG 3.96Å; Y19-K33 HydrophobicContact CG-CG 4.2Å
20A84.8Confident74.3Confident48 Ų4898.6 Ų98.640%0.39752%0.524SS..EExtended strand (participates in β ladder)trans-96.1144.3178.200000111.6R29A20-R29 HydrophobicContact CB-CG 4.22Å
21C84.2Confident75.9Confident13 Ų1391.2 Ų91.29%0.08850%0.497CS..  trans-66.6133.7169-172.40000110.4H23 C26 K28 L36 H39 H43C21-H23 PolarHBondContact SG-N 3.43Å; C21-C26 HydrophobicContact CB-CB 4.09Å; C21-K28 PolarHBondContact N-O 3.12Å; C21-L36 HydrophobicContact CB-CD1 4.2Å; C21-H39 VanDerWaalsContact SG-CD2 3.54Å; C21-H39 PolarHBondContact SG-NE2 3.18Å; C21-H39 VanDerWaalsContact SG-NE2 3.38Å; C21-H43 VanDerWaalsContact SG-CD2 3.53Å; C21-H43 PolarHBondContact SG-NE2 2.79Å; C21-H43 VanDerWaalsContact SG-NE2 3.42Å
22Q82.5Confident77.2Confident170 Ų17088.9 Ų88.979%0.79448%0.476SS*.  trans-90.82179.2-60.6-173.38.400113.5A24Q22-A24 PolarHBondContact O-N 3.45Å
23H83Confident78.8Confident84 Ų8493.6 Ų93.639%0.38948%0.483SS..  trans-72.4129.8179.2-168.476.9000110.1C21 N25 C26 H43C21-H23 PolarHBondContact SG-N 3.43Å; H23-N25 PolarHBondContact O-N 3.44Å; H23-C26 HydrophobicContact CB-CB 3.86Å; H23-C26 PolarHBondContact O-N 3.35Å; H23-H43 HydrophobicContact CB-CB 4.43Å; H23-H43 AromaticContact CD2-CE1 3.69Å; H23-H43 AromaticContact CD2-CG 3.93Å; H23-H43 AromaticContact CD2-ND1 3.38Å; H23-H43 PolarHBondContact CD2-ND1 3.08Å; H23-H43 AromaticContact CG-CD2 3.98Å; H23-H43 AromaticContact CG-CE1 3.9Å; H23-H43 AromaticContact CG-CG 3.56Å; H23-H43 AromaticContact CG-ND1 3.52Å; H23-H43 AromaticContact ND1-CG 3.82Å; H23-H43 AromaticContact ND1-ND1 3.98Å; H23-H43 AromaticContact NE2-ND1 3.81Å
24A81Confident80.1Confident95 Ų9594.8 Ų94.879%0.78547%0.468SS*.THydrogen-bonded Turntrans-55.2-29.1-169.700000114.4Q22Q22-A24 PolarHBondContact O-N 3.45Å
25N83Confident81.1Confident145 Ų14590.7 Ų90.778%0.77545%0.446SS*.THydrogen-bonded Turntrans-104.414.2-179.9-61.4-9.3000112.9H23H23-N25 PolarHBondContact O-N 3.44Å
26C80.6Confident81.9Confident13 Ų1386.8 Ų86.89%0.08843%0.432CS..  trans-124.1122.3-178.9-169.70000112C21 H23 H39C21-C26 HydrophobicContact CB-CB 4.09Å; H23-C26 HydrophobicContact CB-CB 3.86Å; H23-C26 PolarHBondContact O-N 3.35Å; C26-H39 PolarHBondContact SG-NE2 2.88Å
27N81.8Confident81.8Confident159 Ų15984 Ų8485%0.8542%0.424SS*.  trans-108.319.7178.9-65.4-54.3000113.1
28K82.3Confident81.4Confident126 Ų12682.9 Ų82.955%0.54842%0.419SS..  trans-76.6141-177.3-70.5177.3179.6-80.60111.6C21 F30C21-K28 PolarHBondContact N-O 3.12Å; K28-F30 HydrophobicContact CB-CE2 3.87Å; K28-F30 HydrophobicContact CB-CZ 3.85Å; K28-F30 HydrophobicContact CD-CZ 4.45Å
29R83.4Confident81.3Confident144 Ų14481.6 Ų81.654%0.54341%0.409SS..EExtended strand (participates in β ladder)trans-122.2147.3176.9-58.1-179.268.2152.13.2109.9K17 Y19 A20K17-R29 HydrophobicContact CB-CB 3.72Å; K17-R29 WeakPolarHBondContact CD-O 3.35Å; K17-R29 PolarHBondContact O-NE 3.12Å; K17-R29 PolarHBondContact O-NH2 3.34Å; Y19-R29 CarbonylContact O-C 3.3Å; Y19-R29 VanDerWaalsContact O-CA 3.27Å; Y19-R29 WeakPolarHBondContact O-CA 3.18Å; A20-R29 HydrophobicContact CB-CG 4.22Å
30F82.5Confident81.1Confident20 Ų2081 Ų819%0.08841%0.409CS..EExtended strand (participates in β ladder)trans-131.3150.9-173.6-58.5-82.9000111.1K17 Y19 K28 L35 L36 H39K17-F30 CarbonylContact C-O 3.48Å; K17-F30 VanDerWaalsContact C-O 3.3Å; K17-F30 WeakPolarHBondContact CA-O 3.41Å; Y19-F30 PolarHBondContact N-O 2.94Å; Y19-F30 PolarHBondContact O-N 3.38Å; K28-F30 HydrophobicContact CB-CE2 3.87Å; K28-F30 HydrophobicContact CB-CZ 3.85Å; K28-F30 HydrophobicContact CD-CZ 4.45Å; F30-L35 HydrophobicContact CB-CB 3.98Å; F30-L35 HydrophobicContact CD1-CB 3.71Å; F30-L35 HydrophobicContact CG-CB 4.09Å; F30-L36 HydrophobicContact CB-CB 4.32Å; F30-L36 HydrophobicContact CD2-CB 3.93Å; F30-L36 HydrophobicContact CD2-CD1 3.89Å; F30-L36 HydrophobicContact CE2-CD1 4.12Å; F30-L36 HydrophobicContact CG-CB 4.32Å; F30-H39 HydrophobicContact CE1-CB 3.91Å; F30-H39 HydrophobicContact CE2-CB 3.66Å; F30-H39 AromaticContact CE2-CD2 3.49Å; F30-H39 VanDerWaalsContact CE2-CD2 3.49Å; F30-H39 WeakPolarHBondContact CE2-CD2 3.39Å; F30-H39 AromaticContact CE2-CG 3.54Å; F30-H39 HydrophobicContact CZ-CB 3.26Å; F30-H39 AromaticContact CZ-CD2 3.63Å; F30-H39 AromaticContact CZ-CG 3.19Å; F30-H39 AromaticContact CZ-ND1 3.69Å
31A82.4Confident80.6Confident29 Ų2980.5 Ų80.524%0.2440%0.398CS..SBendtrans-70.2-35.6178.500000113.1Y15 Y19Y15-A31 HydrophobicContact CE1-CB 3.61Å; Y15-A31 WeakPolarHBondContact OH-CB 3.42Å; Y19-A31 WeakPolarHBondContact CD2-O 3.47Å; Y19-A31 VanDerWaalsContact CE2-O 3.3Å; Y19-A31 WeakPolarHBondContact CE2-O 3.44Å
32N79.6Confident80.1Confident68 Ų6885.9 Ų85.936%0.36443%0.425SS..SBendtrans-131.8160.8-175.168.231.7000111.8Y19 F34 L35 L36Y19-N32 VanDerWaalsContact CE2-CA 3.43Å; N32-F34 PolarHBondContact O-N 3.33Å; N32-F34 PolarHBondContact OD1-N 3.29Å; N32-L35 WeakPolarHBondContact OD1-CB 3.34Å; N32-L35 WeakPolarHBondContact OD1-CD1 3.29Å; N32-L35 WeakPolarHBondContact OD1-CG 3.31Å; N32-L35 PolarHBondContact OD1-N 2.9Å; N32-L36 PolarHBondContact O-N 3.24Å
33K82.8Confident79.9Confident144 Ų14480.9 Ų80.963%0.62640%0.401SS*.Hα-helixtrans-65-29.4178.1-65.9-177.1-179.7178.20112.6Y19 L36 K37Y19-K33 HydrophobicContact CD1-CG 3.64Å; Y19-K33 HydrophobicContact CD2-CG 4.35Å; Y19-K33 HydrophobicContact CE1-CD 3.95Å; Y19-K33 VanDerWaalsContact CE1-CE 3.41Å; Y19-K33 HydrophobicContact CE1-CG 3.22Å; Y19-K33 HydrophobicContact CE2-CG 3.96Å; Y19-K33 HydrophobicContact CG-CG 4.2Å; K33-L36 PolarHBondContact O-N 2.76Å; K33-K37 WeakPolarHBondContact O-CB 3.24Å; K33-K37 PolarHBondContact O-N 2.88Å
34F77.3Confident79.5Confident134 Ų13480.4 Ų80.459%0.58841%0.405SS*.Hα-helixtrans-65.6-45.8-177.7179.5-97.7000111.5N32 K37 K38N32-F34 PolarHBondContact O-N 3.33Å; N32-F34 PolarHBondContact OD1-N 3.29Å; F34-K37 PolarHBondContact O-N 2.8Å; F34-K38 WeakPolarHBondContact O-CB 3.35Å; F34-K38 PolarHBondContact O-N 2.84Å
35L77.9Confident78.8Confident50 Ų5078.5 Ų78.526%0.26239%0.394SS..Hα-helixtrans-66.1-41.7175.9-68.8171.8000111.5F30 N32 K37 K38 H39F30-L35 HydrophobicContact CB-CB 3.98Å; F30-L35 HydrophobicContact CD1-CB 3.71Å; F30-L35 HydrophobicContact CG-CB 4.09Å; N32-L35 WeakPolarHBondContact OD1-CB 3.34Å; N32-L35 WeakPolarHBondContact OD1-CD1 3.29Å; N32-L35 WeakPolarHBondContact OD1-CG 3.31Å; N32-L35 PolarHBondContact OD1-N 2.9Å; L35-K37 PolarHBondContact O-N 3.36Å; L35-K38 WeakPolarHBondContact O-CB 3.42Å; L35-K38 PolarHBondContact O-N 3.29Å; L35-H39 WeakPolarHBondContact O-CB 3.43Å; L35-H39 PolarHBondContact O-N 3.2Å
36L81.3Confident77.8Confident21 Ų2177.7 Ų77.711%0.1139%0.386CS..Hα-helixtrans-57.5-49.3172.817261.4000111.2C21 F30 N32 K33 K38 H39 E40C21-L36 HydrophobicContact CB-CD1 4.2Å; F30-L36 HydrophobicContact CB-CB 4.32Å; F30-L36 HydrophobicContact CD2-CB 3.93Å; F30-L36 HydrophobicContact CD2-CD1 3.89Å; F30-L36 HydrophobicContact CE2-CD1 4.12Å; F30-L36 HydrophobicContact CG-CB 4.32Å; N32-L36 PolarHBondContact O-N 3.24Å; K33-L36 PolarHBondContact O-N 2.76Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 3.21Å; L36-H39 WeakPolarHBondContact O-CB 3.41Å; L36-H39 PolarHBondContact O-N 3.38Å; L36-H39 VanDerWaalsContact O-N 3.13Å; L36-E40 HydrophobicContact CD1-CG 4.1Å; L36-E40 HydrophobicContact CG-CG 4.44Å; L36-E40 WeakPolarHBondContact O-CG 3.33Å; L36-E40 PolarHBondContact O-N 3.19Å
37K79.2Confident77.3Confident130 Ų13081 Ų8157%0.56540%0.396SS*.Hα-helixtrans-63-39179.4-170.2170.5-174.2172.40112.1K33 F34 L35 H39 E40 F41K33-K37 WeakPolarHBondContact O-CB 3.24Å; K33-K37 PolarHBondContact O-N 2.88Å; F34-K37 PolarHBondContact O-N 2.8Å; L35-K37 PolarHBondContact O-N 3.36Å; K37-H39 VanDerWaalsContact C-N 3.3Å; K37-H39 PolarHBondContact O-N 3.44Å; K37-E40 PolarHBondContact O-N 3.32Å; K37-F41 HydrophobicContact CG-CE2 4.3Å; K37-F41 HydrophobicContact CG-CZ 4.08Å; K37-F41 VanDerWaalsContact O-CD2 3.22Å; K37-F41 WeakPolarHBondContact O-CD2 3.42Å; K37-F41 WeakPolarHBondContact O-CE2 3.41Å; K37-F41 PolarHBondContact O-N 3.44Å
38K73.5Confident76.8Confident30 Ų3076.6 Ų76.613%0.1338%0.376CS..Hα-helixtrans-59.5-44173.5-175.3-169.9176.2-164.40111F34 L35 L36 F41 E138F34-K38 WeakPolarHBondContact O-CB 3.35Å; F34-K38 PolarHBondContact O-N 2.84Å; L35-K38 WeakPolarHBondContact O-CB 3.42Å; L35-K38 PolarHBondContact O-N 3.29Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 3.21Å; K38-F41 WeakPolarHBondContact O-CB 3.47Å; K38-F41 PolarHBondContact O-N 3.07Å; K38-E138 WeakPolarHBondContact CE-OE1 3.3Å; K38-E138 IonicContact NZ-OE1 2.65Å; K38-E138 PolarHBondContact NZ-OE1 2.79Å
39H81Confident76.3Confident15 Ų1572.8 Ų72.87%0.06936%0.36CS..Hα-helixtrans-67.8-39.2178.6171.470000112.5C21 C26 F30 L35 L36 K37 F41 I42 H43C21-H39 VanDerWaalsContact SG-CD2 3.54Å; C21-H39 PolarHBondContact SG-NE2 3.18Å; C21-H39 VanDerWaalsContact SG-NE2 3.38Å; C26-H39 PolarHBondContact SG-NE2 2.88Å; F30-H39 HydrophobicContact CE1-CB 3.91Å; F30-H39 HydrophobicContact CE2-CB 3.66Å; F30-H39 AromaticContact CE2-CD2 3.49Å; F30-H39 VanDerWaalsContact CE2-CD2 3.49Å; F30-H39 WeakPolarHBondContact CE2-CD2 3.39Å; F30-H39 AromaticContact CE2-CG 3.54Å; F30-H39 HydrophobicContact CZ-CB 3.26Å; F30-H39 AromaticContact CZ-CD2 3.63Å; F30-H39 AromaticContact CZ-CG 3.19Å; F30-H39 AromaticContact CZ-ND1 3.69Å; L35-H39 WeakPolarHBondContact O-CB 3.43Å; L35-H39 PolarHBondContact O-N 3.2Å; L36-H39 WeakPolarHBondContact O-CB 3.41Å; L36-H39 PolarHBondContact O-N 3.38Å; L36-H39 VanDerWaalsContact O-N 3.13Å; K37-H39 VanDerWaalsContact C-N 3.3Å; K37-H39 PolarHBondContact O-N 3.44Å; H39-F41 PolarHBondContact O-N 3.44Å; H39-I42 VanDerWaalsContact O-CB 3.28Å; H39-I42 WeakPolarHBondContact O-CB 3.26Å; H39-I42 WeakPolarHBondContact O-CG1 3.28Å; H39-I42 PolarHBondContact O-N 3.26Å; H39-H43 AromaticContact CD2-NE2 3.83Å; H39-H43 AromaticContact CE1-NE2 3.41Å; H39-H43 PolarHBondContact CE1-NE2 2.84Å; H39-H43 AromaticContact NE2-CD2 3.67Å; H39-H43 AromaticContact NE2-CE1 3.99Å; H39-H43 AromaticContact NE2-NE2 2.94Å; H39-H43 PolarHBondContact NE2-NE2 3.47Å
40E77.8Confident75.8Confident63 Ų6370 Ų7029%0.29435%0.354SS..Hα-helixtrans-58.7-30.3178.2-76.7173.8167.500112.8L36 K37 I42 H43 T44L36-E40 HydrophobicContact CD1-CG 4.1Å; L36-E40 HydrophobicContact CG-CG 4.44Å; L36-E40 WeakPolarHBondContact O-CG 3.33Å; L36-E40 PolarHBondContact O-N 3.19Å; K37-E40 PolarHBondContact O-N 3.32Å; E40-I42 PolarHBondContact O-N 3.24Å; E40-I42 VanDerWaalsContact O-N 3.15Å; E40-H43 PolarHBondContact O-N 3Å; E40-T44 PolarHBondContact O-N 3.48Å; E40-T44 PolarHBondContact O-OG1 3.5Å
41F74.6Confident75.5Confident37 Ų3769 Ų6916%0.16235%0.349CS..Hα-helixtrans-61.1-22.1174.4-62.6-47.6000114.2K37 K38 H39 H43 T44 G45 E46 P48 N59K37-F41 HydrophobicContact CG-CE2 4.3Å; K37-F41 HydrophobicContact CG-CZ 4.08Å; K37-F41 VanDerWaalsContact O-CD2 3.22Å; K37-F41 WeakPolarHBondContact O-CD2 3.42Å; K37-F41 WeakPolarHBondContact O-CE2 3.41Å; K37-F41 PolarHBondContact O-N 3.44Å; K38-F41 WeakPolarHBondContact O-CB 3.47Å; K38-F41 PolarHBondContact O-N 3.07Å; H39-F41 PolarHBondContact O-N 3.44Å; F41-H43 VanDerWaalsContact C-N 3.31Å; F41-T44 WeakPolarHBondContact CA-OG1 3.39Å; F41-G45 VanDerWaalsContact O-CA 3.31Å; F41-G45 WeakPolarHBondContact O-CA 3.27Å; F41-G45 PolarHBondContact O-N 3.42Å; F41-E46 WeakPolarHBondContact CB-O 3.41Å; F41-E46 HydrophobicContact CD1-CB 4.06Å; F41-E46 WeakPolarHBondContact CD1-O 3.46Å; F41-E46 HydrophobicContact CE1-CB 4.46Å; F41-E46 WeakPolarHBondContact CG-O 3.43Å; F41-P48 HydrophobicContact CE2-CG 4.46Å; F41-P48 HydrophobicContact CZ-CG 4.1Å; F41-N59 HydrophobicContact CD2-CB 4.35Å
42I74.1Confident75Confident127 Ų12771.5 Ų71.565%0.65136%0.363SS*.Hα-helixtrans-70.3-34.8174.2-57.3171.9000110H39 E40H39-I42 VanDerWaalsContact O-CB 3.28Å; H39-I42 WeakPolarHBondContact O-CB 3.26Å; H39-I42 WeakPolarHBondContact O-CG1 3.28Å; H39-I42 PolarHBondContact O-N 3.26Å; E40-I42 PolarHBondContact O-N 3.24Å; E40-I42 VanDerWaalsContact O-N 3.15Å
43H78.8Confident74.7Confident64 Ų6473.8 Ų73.830%0.29637%0.367SS..Hα-helixtrans-82.9-37.7178.4-59.8-56.9000112.2C21 H23 H39 E40 F41C21-H43 VanDerWaalsContact SG-CD2 3.53Å; C21-H43 PolarHBondContact SG-NE2 2.79Å; C21-H43 VanDerWaalsContact SG-NE2 3.42Å; H23-H43 HydrophobicContact CB-CB 4.43Å; H23-H43 AromaticContact CD2-CE1 3.69Å; H23-H43 AromaticContact CD2-CG 3.93Å; H23-H43 AromaticContact CD2-ND1 3.38Å; H23-H43 PolarHBondContact CD2-ND1 3.08Å; H23-H43 AromaticContact CG-CD2 3.98Å; H23-H43 AromaticContact CG-CE1 3.9Å; H23-H43 AromaticContact CG-CG 3.56Å; H23-H43 AromaticContact CG-ND1 3.52Å; H23-H43 AromaticContact ND1-CG 3.82Å; H23-H43 AromaticContact ND1-ND1 3.98Å; H23-H43 AromaticContact NE2-ND1 3.81Å; H39-H43 AromaticContact CD2-NE2 3.83Å; H39-H43 AromaticContact CE1-NE2 3.41Å; H39-H43 PolarHBondContact CE1-NE2 2.84Å; H39-H43 AromaticContact NE2-CD2 3.67Å; H39-H43 AromaticContact NE2-CE1 3.99Å; H39-H43 AromaticContact NE2-NE2 2.94Å; H39-H43 PolarHBondContact NE2-NE2 3.47Å; E40-H43 PolarHBondContact O-N 3Å; F41-H43 VanDerWaalsContact C-N 3.31Å
44T73.6Confident74.4Confident75 Ų7569.4 Ų69.446%0.4635%0.354SS..Hα-helixtrans-85.4-19.2-178650000113.1E40 F41 E46E40-T44 PolarHBondContact O-N 3.48Å; E40-T44 PolarHBondContact O-OG1 3.5Å; F41-T44 WeakPolarHBondContact CA-OG1 3.39Å; T44-E46 PolarHBondContact O-N 3.48Å; T44-E46 WeakPolarHBondContact OG1-CB 3.39Å; T44-E46 PolarHBondContact OG1-N 2.91Å
45G67.4Low74.3Confident55 Ų5566.4 Ų66.457%0.56735%0.349SS*.  trans68.82.5-171.400000113.5F41 R47F41-G45 VanDerWaalsContact O-CA 3.31Å; F41-G45 WeakPolarHBondContact O-CA 3.27Å; F41-G45 PolarHBondContact O-N 3.42Å; G45-R47 PolarHBondContact O-N 2.73Å
46E62.8Low74.1Confident127 Ų12768 Ų6859%0.59335%0.354SS*.  trans-77.7110-176.6-65.6179.7169.400109.9F41 T44F41-E46 WeakPolarHBondContact CB-O 3.41Å; F41-E46 HydrophobicContact CD1-CB 4.06Å; F41-E46 WeakPolarHBondContact CD1-O 3.46Å; F41-E46 HydrophobicContact CE1-CB 4.46Å; F41-E46 WeakPolarHBondContact CG-O 3.43Å; T44-E46 PolarHBondContact O-N 3.48Å; T44-E46 WeakPolarHBondContact OG1-CB 3.39Å; T44-E46 PolarHBondContact OG1-N 2.91Å
47R68.5Low73.8Confident83 Ų8372.5 Ų72.531%0.31337%0.369SS..  trans-109.5102.6175.1-68.6-179.7176-177.24.8109.2G45 H49 R57 D131G45-R47 PolarHBondContact O-N 2.73Å; R47-H49 VanDerWaalsContact C-N 3.32Å; R47-H49 PolarHBondContact O-N 3.06Å; R47-R57 HydrophobicContact CB-CB 3.32Å; R47-R57 HydrophobicContact CB-CG 4.44Å; R47-R57 VanDerWaalsContact CD-O 3.28Å; R47-R57 WeakPolarHBondContact CD-O 3.5Å; R47-R57 HydrophobicContact CG-CB 4.24Å; R47-R57 PolarHBondContact NH1-O 3.14Å; R47-R57 PolarHBondContact O-NE 3.07Å; R47-R57 PolarHBondContact O-NH2 2.9Å; R47-D131 IonicContact NH1-OD2 3.91Å
48P71.6Confident73.5Confident67 Ų6768 Ų6844%0.43535%0.35SS..  trans-71.5-20.2-168.425-33.6000114.6F41F41-P48 HydrophobicContact CE2-CG 4.46Å; F41-P48 HydrophobicContact CZ-CG 4.1Å
49H72.4Confident73.3Confident45 Ų4569 Ų6921%0.20836%0.357CS..EExtended strand (participates in β ladder)trans-104.698.9-172.4-60-54.5000111.7R47 R57 F58 R60 K61 L64R47-H49 VanDerWaalsContact C-N 3.32Å; R47-H49 PolarHBondContact O-N 3.06Å; H49-R57 CarbonylContact O-C 3.45Å; H49-R57 WeakPolarHBondContact O-CA 3.14Å; H49-F58 HydrophobicContact CB-CB 4.13Å; H49-F58 WeakPolarHBondContact CB-O 3.41Å; H49-F58 PolarHBondContact N-O 3.16Å; H49-F58 VanDerWaalsContact N-O 3.08Å; H49-F58 WeakPolarHBondContact O-CD2 3.08Å; H49-F58 PolarHBondContact O-N 3.07Å; H49-R60 VanDerWaalsContact CD2-C 3.43Å; H49-K61 PolarHBondContact CD2-N 2.93Å; H49-K61 WeakPolarHBondContact CE1-CG 3.45Å; H49-K61 WeakPolarHBondContact NE2-CG 3.42Å; H49-L64 HydrophobicContact CB-CB 4.2Å; H49-L64 HydrophobicContact CB-CD2 3.93Å
50Q73.5Confident72.9Confident86 Ų8671.7 Ų71.740%0.40237%0.366SS..EExtended strand (participates in β ladder)trans-92.1139.3179-168.3170.524.500112.2C55 K56 R57Q50-C55 WeakPolarHBondContact CG-O 3.45Å; Q50-C55 PolarHBondContact NE2-O 3.29Å; Q50-C55 VanDerWaalsContact NE2-O 3.07Å; Q50-K56 CarbonylContact C-O 3.51Å; Q50-K56 WeakPolarHBondContact CA-O 3.31Å; Q50-R57 HydrophobicContact CB-CG 4.41Å; Q50-R57 HydrophobicContact CG-CG 4.19Å
51C75.9Confident73Confident0 Ų075.4 Ų75.40%038%0.381CS..  trans-72.5123.3169.4-176.30000110.2Y53 C55 K56 F58 L64 H67 H71C51-Y53 PolarHBondContact O-N 2.99Å; C51-Y53 PolarHBondContact SG-N 3.1Å; C51-Y53 VanDerWaalsContact SG-N 3.42Å; C51-C55 VanDerWaalsContact O-CA 3.26Å; C51-C55 WeakPolarHBondContact O-CA 3.25Å; C51-C55 PolarHBondContact O-N 2.82Å; C51-K56 HydrophobicContact CB-CB 4.39Å; C51-K56 PolarHBondContact N-O 2.71Å; C51-F58 HydrophobicContact CB-CE2 4.14Å; C51-L64 HydrophobicContact CB-CD1 3.86Å; C51-H67 VanDerWaalsContact CB-NE2 3.34Å; C51-H67 WeakPolarHBondContact CB-NE2 3.41Å; C51-H67 PolarHBondContact SG-CD2 2.8Å; C51-H67 PolarHBondContact SG-NE2 2.83Å; C51-H71 PolarHBondContact SG-NE2 3.29Å
52P71.8Confident73.2Confident80 Ų8076.7 Ų76.752%0.51939%0.39SS..THydrogen-bonded Turntrans-70.1-14178.829.9-35.7000113.2
53Y73.2Confident73.6Confident117 Ų11771.7 Ų71.746%0.45937%0.365SS..THydrogen-bonded Turntrans-94.6-31.4-176.6-55.5-67000113.7C51 K68 H71C51-Y53 PolarHBondContact O-N 2.99Å; C51-Y53 PolarHBondContact SG-N 3.1Å; C51-Y53 VanDerWaalsContact SG-N 3.42Å; Y53-K68 HydrophobicContact CD2-CG 4.44Å; Y53-K68 HydrophobicContact CE2-CG 4.16Å; Y53-H71 HydrophobicContact CD2-CB 4.24Å; Y53-H71 AromaticContact CD2-CD2 3.7Å; Y53-H71 AromaticContact CD2-CG 3.94Å
54C76.4Confident73.7Confident51 Ų5169.6 Ų69.635%0.34536%0.355SS..THydrogen-bonded Turntrans-138.611.8-176.4720000114.4K56 H67 H71C54-K56 PolarHBondContact O-N 3.49Å; C54-K56 VanDerWaalsContact SG-CG 3.57Å; C54-H67 VanDerWaalsContact SG-CE1 3.58Å; C54-H67 PolarHBondContact SG-NE2 3.2Å; C54-H71 PolarHBondContact SG-NE2 2.91Å; C54-H71 VanDerWaalsContact SG-NE2 3.44Å
55C75.6Confident74.2Confident71 Ų7171 Ų7148%0.4836%0.359SS..  trans60.55.7178-62.10000116Q50 C51 R57Q50-C55 WeakPolarHBondContact CG-O 3.45Å; Q50-C55 PolarHBondContact NE2-O 3.29Å; Q50-C55 VanDerWaalsContact NE2-O 3.07Å; C51-C55 VanDerWaalsContact O-CA 3.26Å; C51-C55 WeakPolarHBondContact O-CA 3.25Å; C51-C55 PolarHBondContact O-N 2.82Å; C55-R57 PolarHBondContact O-N 3.49Å
56K73Confident75Confident84 Ų8476.1 Ų76.137%0.36536%0.362SS..  trans-61.6133.1174.8-79.9-170.9178.7-133.90110.4Q50 C51 C54 F58 D131Q50-K56 CarbonylContact C-O 3.51Å; Q50-K56 WeakPolarHBondContact CA-O 3.31Å; C51-K56 HydrophobicContact CB-CB 4.39Å; C51-K56 PolarHBondContact N-O 2.71Å; C54-K56 PolarHBondContact O-N 3.49Å; C54-K56 VanDerWaalsContact SG-CG 3.57Å; K56-F58 HydrophobicContact CB-CE2 3.86Å; K56-F58 HydrophobicContact CB-CZ 4.02Å; K56-F58 WeakPolarHBondContact O-CE2 3.2Å; K56-D131 IonicContact NZ-OD1 2.79Å; K56-D131 PolarHBondContact NZ-OD1 3.38Å
57R75.6Confident76.1Confident115 Ų11571.5 Ų71.543%0.43434%0.34SS..EExtended strand (participates in β ladder)trans-103.1140.2-178.3-49.5-178.169.9111.1-0.6110.7R47 H49 Q50 C55R47-R57 HydrophobicContact CB-CB 3.32Å; R47-R57 HydrophobicContact CB-CG 4.44Å; R47-R57 VanDerWaalsContact CD-O 3.28Å; R47-R57 WeakPolarHBondContact CD-O 3.5Å; R47-R57 HydrophobicContact CG-CB 4.24Å; R47-R57 PolarHBondContact NH1-O 3.14Å; R47-R57 PolarHBondContact O-NE 3.07Å; R47-R57 PolarHBondContact O-NH2 2.9Å; H49-R57 CarbonylContact O-C 3.45Å; H49-R57 WeakPolarHBondContact O-CA 3.14Å; Q50-R57 HydrophobicContact CB-CG 4.41Å; Q50-R57 HydrophobicContact CG-CG 4.19Å; C55-R57 PolarHBondContact O-N 3.49Å
58F73.6Confident76.7Confident36 Ų3671 Ų7116%0.15834%0.34CS..EExtended strand (participates in β ladder)trans-123.3146.9-178-59.8-87.4000109.9H49 C51 K56 N63 L64 H67H49-F58 HydrophobicContact CB-CB 4.13Å; H49-F58 WeakPolarHBondContact CB-O 3.41Å; H49-F58 PolarHBondContact N-O 3.16Å; H49-F58 VanDerWaalsContact N-O 3.08Å; H49-F58 WeakPolarHBondContact O-CD2 3.08Å; H49-F58 PolarHBondContact O-N 3.07Å; C51-F58 HydrophobicContact CB-CE2 4.14Å; K56-F58 HydrophobicContact CB-CE2 3.86Å; K56-F58 HydrophobicContact CB-CZ 4.02Å; K56-F58 WeakPolarHBondContact O-CE2 3.2Å; F58-N63 HydrophobicContact CB-CB 4.28Å; F58-N63 HydrophobicContact CD1-CB 3.82Å; F58-N63 HydrophobicContact CG-CB 4.33Å; F58-L64 HydrophobicContact CB-CB 4.24Å; F58-L64 HydrophobicContact CD2-CB 3.86Å; F58-L64 HydrophobicContact CD2-CD1 3.84Å; F58-L64 HydrophobicContact CD2-CG 4.44Å; F58-L64 HydrophobicContact CE2-CD1 4.03Å; F58-L64 HydrophobicContact CG-CB 4.14Å; F58-H67 HydrophobicContact CE1-CB 3.83Å; F58-H67 HydrophobicContact CE2-CB 3.96Å; F58-H67 AromaticContact CE2-CD2 3.29Å; F58-H67 WeakPolarHBondContact CE2-CD2 3.49Å; F58-H67 AromaticContact CE2-CG 3.64Å; F58-H67 AromaticContact CE2-NE2 3.87Å; F58-H67 HydrophobicContact CZ-CB 3.39Å; F58-H67 AromaticContact CZ-CD2 3.31Å; F58-H67 WeakPolarHBondContact CZ-CD2 3.43Å; F58-H67 AromaticContact CZ-CG 3.14Å; F58-H67 AromaticContact CZ-ND1 3.63Å; F58-H67 AromaticContact CZ-NE2 3.83Å
59N68.9Low77.3Confident52 Ų5274.8 Ų74.828%0.27835%0.349SS..SBendtrans-82.3-15.1173.960.3-2.2000112.9F41 N63F41-N59 HydrophobicContact CD2-CB 4.35Å; N59-N63 PolarHBondContact OD1-ND2 2.83Å
60R72.7Confident77.8Confident71 Ų7175.7 Ų75.727%0.26836%0.359SS..SBendtrans-130.6146.3-179.1-68.3-178.661.6172.94112H49 D62 N63 L64H49-R60 VanDerWaalsContact CD2-C 3.43Å; R60-D62 WeakPolarHBondContact CB-OD1 3.22Å; R60-D62 VanDerWaalsContact CZ-CG 3.47Å; R60-D62 IonicContact CZ-OD1 3.32Å; R60-D62 IonicContact CZ-OD2 3.02Å; R60-D62 VanDerWaalsContact NE-CG 3.28Å; R60-D62 IonicContact NE-OD1 2.82Å; R60-D62 PolarHBondContact NE-OD1 2.79Å; R60-D62 IonicContact NE-OD2 2.99Å; R60-D62 PolarHBondContact NE-OD2 3.36Å; R60-D62 IonicContact NH1-OD2 3.75Å; R60-D62 IonicContact NH2-OD1 3.1Å; R60-D62 PolarHBondContact NH2-OD1 2.82Å; R60-D62 VanDerWaalsContact NH2-OD1 3.1Å; R60-D62 IonicContact NH2-OD2 3.07Å; R60-D62 PolarHBondContact NH2-OD2 2.79Å; R60-D62 VanDerWaalsContact NH2-OD2 3.07Å; R60-N63 HydrophobicContact CB-CB 4.15Å; R60-L64 PolarHBondContact O-N 2.79Å
61K78.8Confident78Confident140 Ų14073 Ų7361%0.60935%0.346SS*.Hα-helixtrans-67.2-41176.8-69.7-176.6-1781730112.5H49 N63 L64 L65H49-K61 PolarHBondContact CD2-N 2.93Å; H49-K61 WeakPolarHBondContact CE1-CG 3.45Å; H49-K61 WeakPolarHBondContact NE2-CG 3.42Å; K61-N63 VanDerWaalsContact C-N 3.35Å; K61-N63 PolarHBondContact O-N 2.89Å; K61-L64 WeakPolarHBondContact O-CB 3.5Å; K61-L64 PolarHBondContact O-N 2.84Å; K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.11Å
62D79.8Confident77.9Confident64 Ų6481 Ų8134%0.34238%0.383SS..Hα-helixtrans-62.8-40.3178.351.9-77000112R60 L64 L65 R66R60-D62 WeakPolarHBondContact CB-OD1 3.22Å; R60-D62 VanDerWaalsContact CZ-CG 3.47Å; R60-D62 IonicContact CZ-OD1 3.32Å; R60-D62 IonicContact CZ-OD2 3.02Å; R60-D62 VanDerWaalsContact NE-CG 3.28Å; R60-D62 IonicContact NE-OD1 2.82Å; R60-D62 PolarHBondContact NE-OD1 2.79Å; R60-D62 IonicContact NE-OD2 2.99Å; R60-D62 PolarHBondContact NE-OD2 3.36Å; R60-D62 IonicContact NH1-OD2 3.75Å; R60-D62 IonicContact NH2-OD1 3.1Å; R60-D62 PolarHBondContact NH2-OD1 2.82Å; R60-D62 VanDerWaalsContact NH2-OD1 3.1Å; R60-D62 IonicContact NH2-OD2 3.07Å; R60-D62 PolarHBondContact NH2-OD2 2.79Å; R60-D62 VanDerWaalsContact NH2-OD2 3.07Å; D62-L64 PolarHBondContact O-N 3.1Å; D62-L65 PolarHBondContact O-N 3.29Å; D62-R66 WeakPolarHBondContact O-CB 3.32Å; D62-R66 PolarHBondContact O-N 3.23Å
63N81Confident77.7Confident23 Ų2381.8 Ų81.812%0.12339%0.391CS..Hα-helixtrans-59.4-44.8171.7-78.3-24.9000112.1F58 N59 R60 K61 R66 H67F58-N63 HydrophobicContact CB-CB 4.28Å; F58-N63 HydrophobicContact CD1-CB 3.82Å; F58-N63 HydrophobicContact CG-CB 4.33Å; N59-N63 PolarHBondContact OD1-ND2 2.83Å; R60-N63 HydrophobicContact CB-CB 4.15Å; K61-N63 VanDerWaalsContact C-N 3.35Å; K61-N63 PolarHBondContact O-N 2.89Å; N63-R66 PolarHBondContact O-N 2.79Å; N63-R66 PolarHBondContact OD1-NH2 2.56Å; N63-H67 VanDerWaalsContact O-CB 3.24Å; N63-H67 WeakPolarHBondContact O-CB 2.86Å; N63-H67 PolarHBondContact O-N 3.08Å
64L82.2Confident77.1Confident19 Ų1979.7 Ų79.710%0.09939%0.393CS..Hα-helixtrans-61.1-44173.7169.862.1000111.5H49 C51 F58 R60 K61 D62 H67 K68H49-L64 HydrophobicContact CB-CB 4.2Å; H49-L64 HydrophobicContact CB-CD2 3.93Å; C51-L64 HydrophobicContact CB-CD1 3.86Å; F58-L64 HydrophobicContact CB-CB 4.24Å; F58-L64 HydrophobicContact CD2-CB 3.86Å; F58-L64 HydrophobicContact CD2-CD1 3.84Å; F58-L64 HydrophobicContact CD2-CG 4.44Å; F58-L64 HydrophobicContact CE2-CD1 4.03Å; F58-L64 HydrophobicContact CG-CB 4.14Å; R60-L64 PolarHBondContact O-N 2.79Å; K61-L64 WeakPolarHBondContact O-CB 3.5Å; K61-L64 PolarHBondContact O-N 2.84Å; D62-L64 PolarHBondContact O-N 3.1Å; L64-H67 PolarHBondContact O-N 3.32Å; L64-K68 HydrophobicContact CD1-CG 4.2Å; L64-K68 WeakPolarHBondContact O-CG 3.27Å; L64-K68 PolarHBondContact O-N 2.69Å
65L84.5Confident76.2Confident104 Ų10480.2 Ų80.255%0.54541%0.407SS..Hα-helixtrans-63.3-43.7178.7-73169.1000111.9K61 D62 K68 K69K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.11Å; D62-L65 PolarHBondContact O-N 3.29Å; L65-K68 WeakPolarHBondContact O-CB 3.19Å; L65-K68 PolarHBondContact O-N 2.91Å; L65-K69 PolarHBondContact O-N 3.23Å
66R83.7Confident75.2Confident164 Ų16480.4 Ų80.462%0.61941%0.406SS*.Hα-helixtrans-61.2-45.1173.9177.6170.159.3174.1-0.3111.2D62 N63 K68 K69 T70D62-R66 WeakPolarHBondContact O-CB 3.32Å; D62-R66 PolarHBondContact O-N 3.23Å; N63-R66 PolarHBondContact O-N 2.79Å; N63-R66 PolarHBondContact OD1-NH2 2.56Å; R66-K68 VanDerWaalsContact C-N 3.33Å; R66-K68 PolarHBondContact O-N 3.12Å; R66-K69 WeakPolarHBondContact O-CB 3.49Å; R66-K69 PolarHBondContact O-N 2.65Å; R66-K69 VanDerWaalsContact O-N 3.12Å; R66-T70 PolarHBondContact O-N 3.28Å
67H84.7Confident74.2Confident29 Ų2983.2 Ų83.213%0.13442%0.424CS..Hα-helixtrans-63-36.9176.1168.871.7000113C51 C54 F58 N63 L64 K69 T70 H71C51-H67 VanDerWaalsContact CB-NE2 3.34Å; C51-H67 WeakPolarHBondContact CB-NE2 3.41Å; C51-H67 PolarHBondContact SG-CD2 2.8Å; C51-H67 PolarHBondContact SG-NE2 2.83Å; C54-H67 VanDerWaalsContact SG-CE1 3.58Å; C54-H67 PolarHBondContact SG-NE2 3.2Å; F58-H67 HydrophobicContact CE1-CB 3.83Å; F58-H67 HydrophobicContact CE2-CB 3.96Å; F58-H67 AromaticContact CE2-CD2 3.29Å; F58-H67 WeakPolarHBondContact CE2-CD2 3.49Å; F58-H67 AromaticContact CE2-CG 3.64Å; F58-H67 AromaticContact CE2-NE2 3.87Å; F58-H67 HydrophobicContact CZ-CB 3.39Å; F58-H67 AromaticContact CZ-CD2 3.31Å; F58-H67 WeakPolarHBondContact CZ-CD2 3.43Å; F58-H67 AromaticContact CZ-CG 3.14Å; F58-H67 AromaticContact CZ-ND1 3.63Å; F58-H67 AromaticContact CZ-NE2 3.83Å; N63-H67 VanDerWaalsContact O-CB 3.24Å; N63-H67 WeakPolarHBondContact O-CB 2.86Å; N63-H67 PolarHBondContact O-N 3.08Å; L64-H67 PolarHBondContact O-N 3.32Å; H67-K69 PolarHBondContact O-N 3.39Å; H67-T70 WeakPolarHBondContact O-CA 3.28Å; H67-T70 WeakPolarHBondContact O-CB 3.4Å; H67-T70 PolarHBondContact O-N 3.36Å; H67-T70 PolarHBondContact O-OG1 2.89Å; H67-H71 AromaticContact CD2-NE2 3.9Å; H67-H71 AromaticContact CE1-NE2 3.38Å; H67-H71 PolarHBondContact CE1-NE2 2.75Å; H67-H71 AromaticContact NE2-CD2 3.75Å; H67-H71 AromaticContact NE2-NE2 3.07Å; H67-H71 PolarHBondContact NE2-NE2 3.1Å; H67-H71 PolarHBondContact O-N 3.13Å
68K82.5Confident73.1Confident74 Ų7481.8 Ų81.832%0.32243%0.428SS..Hα-helixtrans-58.6-36.7172.8-77179.3176.9-174.80112.1Y53 L64 L65 R66 T70 H71 E72Y53-K68 HydrophobicContact CD2-CG 4.44Å; Y53-K68 HydrophobicContact CE2-CG 4.16Å; L64-K68 HydrophobicContact CD1-CG 4.2Å; L64-K68 WeakPolarHBondContact O-CG 3.27Å; L64-K68 PolarHBondContact O-N 2.69Å; L65-K68 WeakPolarHBondContact O-CB 3.19Å; L65-K68 PolarHBondContact O-N 2.91Å; R66-K68 VanDerWaalsContact C-N 3.33Å; R66-K68 PolarHBondContact O-N 3.12Å; K68-T70 PolarHBondContact O-N 3.48Å; K68-H71 WeakPolarHBondContact O-CB 3.41Å; K68-H71 PolarHBondContact O-N 3.5Å; K68-H71 VanDerWaalsContact O-N 3.12Å; K68-E72 PolarHBondContact O-N 3.41Å
69K84Confident71.7Confident145 Ų14588.7 Ų88.763%0.6346%0.458SS*.Hα-helixtrans-66.3-26.1173.2-61179.3179.8-178.10112.7L65 R66 H67 H71 E72 S73L65-K69 PolarHBondContact O-N 3.23Å; R66-K69 WeakPolarHBondContact O-CB 3.49Å; R66-K69 PolarHBondContact O-N 2.65Å; R66-K69 VanDerWaalsContact O-N 3.12Å; H67-K69 PolarHBondContact O-N 3.39Å; K69-H71 VanDerWaalsContact C-N 3.32Å; K69-E72 PolarHBondContact O-N 3.36Å; K69-S73 PolarHBondContact O-N 3.45Å; K69-S73 PolarHBondContact O-OG 3.36Å
70T82.6Confident70.4Confident65 Ų6596.6 Ų96.640%0.39948%0.484SS..Hα-helixtrans-66.5-35.4171.9-47.50000111.3R66 H67 K68 E72 S73 S74R66-T70 PolarHBondContact O-N 3.28Å; H67-T70 WeakPolarHBondContact O-CA 3.28Å; H67-T70 WeakPolarHBondContact O-CB 3.4Å; H67-T70 PolarHBondContact O-N 3.36Å; H67-T70 PolarHBondContact O-OG1 2.89Å; K68-T70 PolarHBondContact O-N 3.48Å; T70-E72 VanDerWaalsContact C-N 3.3Å; T70-E72 PolarHBondContact O-N 2.78Å; T70-S73 WeakPolarHBondContact CA-OG 3.12Å; T70-S73 PolarHBondContact O-N 3.48Å; T70-S73 PolarHBondContact O-OG 3.31Å; T70-S74 WeakPolarHBondContact O-CB 3.36Å; T70-S74 PolarHBondContact O-N 3.31Å; T70-S74 PolarHBondContact O-OG 3.39Å; T70-S74 VanDerWaalsContact O-OG 3.11Å
71H78.7Confident68.9Low30 Ų3097.6 Ų97.614%0.13951%0.507CS..Hα-helixtrans-63.7-37.8172.4-72.7-69.3000112.7C51 Y53 C54 H67 K68 K69C51-H71 PolarHBondContact SG-NE2 3.29Å; Y53-H71 HydrophobicContact CD2-CB 4.24Å; Y53-H71 AromaticContact CD2-CD2 3.7Å; Y53-H71 AromaticContact CD2-CG 3.94Å; C54-H71 PolarHBondContact SG-NE2 2.91Å; C54-H71 VanDerWaalsContact SG-NE2 3.44Å; H67-H71 AromaticContact CD2-NE2 3.9Å; H67-H71 AromaticContact CE1-NE2 3.38Å; H67-H71 PolarHBondContact CE1-NE2 2.75Å; H67-H71 AromaticContact NE2-CD2 3.75Å; H67-H71 AromaticContact NE2-NE2 3.07Å; H67-H71 PolarHBondContact NE2-NE2 3.1Å; H67-H71 PolarHBondContact O-N 3.13Å; K68-H71 WeakPolarHBondContact O-CB 3.41Å; K68-H71 PolarHBondContact O-N 3.5Å; K68-H71 VanDerWaalsContact O-N 3.12Å; K69-H71 VanDerWaalsContact C-N 3.32Å
72E72.9Confident67.3Low168 Ų16896 Ų9679%0.78551%0.511SS*.Hα-helixtrans-68.3-43.9176.9-171.3174.8-17500112K68 K69 T70K68-E72 PolarHBondContact O-N 3.41Å; K69-E72 PolarHBondContact O-N 3.36Å; T70-E72 VanDerWaalsContact C-N 3.3Å; T70-E72 PolarHBondContact O-N 2.78Å
73S67.5Low65.2Low96 Ų9697.2 Ų97.267%0.67153%0.53SS*.Hα-helixtrans-81-31.6-177.352.60000114.7K69 T70 G75K69-S73 PolarHBondContact O-N 3.45Å; K69-S73 PolarHBondContact O-OG 3.36Å; T70-S73 WeakPolarHBondContact CA-OG 3.12Å; T70-S73 PolarHBondContact O-N 3.48Å; T70-S73 PolarHBondContact O-OG 3.31Å; S73-G75 VanDerWaalsContact C-N 3.28Å; S73-G75 PolarHBondContact O-N 3.46Å
74S61Low63Low73 Ų73106.5 Ų106.551%0.5156%0.563SS.*THydrogen-bonded Turntrans-84.15.5-177.6-59.50000114.2T70 V76T70-S74 WeakPolarHBondContact O-CB 3.36Å; T70-S74 PolarHBondContact O-N 3.31Å; T70-S74 PolarHBondContact O-OG 3.39Å; T70-S74 VanDerWaalsContact O-OG 3.11Å; S74-V76 PolarHBondContact O-N 2.81Å
75G57.8Low60.8Low61 Ų61111.4 Ų111.463%0.62960%0.596SS**  trans63.311176.700000114.5S73 L77S73-G75 VanDerWaalsContact C-N 3.28Å; S73-G75 PolarHBondContact O-N 3.46Å; G75-L77 PolarHBondContact O-N 2.9Å
76V53.5Low58.4Low76 Ų76113.5 Ų113.546%0.46161%0.607SS.*  trans-80.871.5176.8-176.60000108S74 V78S74-V76 PolarHBondContact O-N 2.81Å; V76-V78 HydrophobicContact CG1-CG2 3.65Å; V76-V78 PolarHBondContact O-N 3.07Å
77L53.3Low55.8Low143 Ų143112.8 Ų112.875%0.74961%0.611SS**  trans-69.971.3163.4-81.7165.1000108.6G75 K79G75-L77 PolarHBondContact O-N 2.9Å; L77-K79 HydrophobicContact CB-CG 4.46Å; L77-K79 PolarHBondContact O-N 2.94Å
78V50.8Low53.5Low85 Ų85118.7 Ų118.752%0.51564%0.643SS.*  trans-71.989.8159.6178.90000105.9V76 R80V76-V78 HydrophobicContact CG1-CG2 3.65Å; V76-V78 PolarHBondContact O-N 3.07Å; V78-R80 PolarHBondContact O-N 3.38Å
79K44.2Very low51.3Low180 Ų180120.5 Ų120.578%0.78366%0.655SS**  trans-64.177172.8-66.6179179.5175.80109.6L77L77-K79 HydrophobicContact CB-CG 4.46Å; L77-K79 PolarHBondContact O-N 2.94Å
80R41.9Very low48.8Very low218 Ų218118.7 Ų118.782%0.82366%0.659SS**  trans-137.566.2155.2-77.9-170.7177.2165.2-1.1108.9V78V78-R80 PolarHBondContact O-N 3.38Å
81A42Very low46.3Very low92 Ų92123.4 Ų123.476%0.7668%0.676SS**  trans-81.5131.814900000107.2
82P45.2Very low44.3Very low108 Ų108126.6 Ų126.670%0.70170%0.698SS**  trans-111.6115.9135.529.9-26.6000109.7R84P82-R84 PolarHBondContact O-N 3.41Å
83A35.9Very low42.2Very low88 Ų88124.9 Ų124.973%0.72769%0.694SS**  trans-1.2106.1143.900000116.4
84R33.7Very low40.6Very low218 Ų218128.4 Ų128.482%0.82370%0.7SS**  171.3134.2120.5-89.9161.4-164.7-111.44.1108.4P82P82-R84 PolarHBondContact O-N 3.41Å
85P35.6Very low39.3Very low122 Ų122132.7 Ų132.779%0.79271%0.714SS**SBendtrans-68.6130.2164.6-1.718.6000106.7
86L35.2Very low38.2Very low148 Ų148134.2 Ų134.278%0.77571%0.713SS**SBendtrans80.5132.9-175.5-42.7169.2000112
87E29.4Very low37.3Very low149 Ų149139.1 Ų139.170%0.69673%0.733SS**  trans76.171.2177.6-42.8-60.710100117.3I89E87-I89 WeakPolarHBondContact OE2-CD1 3.35Å
88L36.4Very low36.4Very low154 Ų154143.1 Ų143.181%0.80674%0.738SS**  trans-13876.3140.5-158.464.7000109.8C90L88-C90 PolarHBondContact O-N 3.2Å
89I35.3Very low35.4Very low112 Ų112143.9 Ų143.957%0.57475%0.748SS**  trans-65.5101.3162.3-46.7125000105.2E87 Q91E87-I89 WeakPolarHBondContact OE2-CD1 3.35Å; I89-Q91 VanDerWaalsContact C-N 3.32Å; I89-Q91 PolarHBondContact O-N 2.94Å; I89-Q91 VanDerWaalsContact O-N 3.1Å
90C32.5Very low34.9Very low107 Ų107141.4 Ų141.472%0.72375%0.747SS**  trans-67.6107.1153.9-77.70000105.1L88 T92L88-C90 PolarHBondContact O-N 3.2Å; C90-T92 PolarHBondContact O-N 2.98Å
91Q30.2Very low34.6Very low163 Ų163135.3 Ų135.376%0.76274%0.743SS**  trans-38.894.1179.6-6515614.400111.6I89I89-Q91 VanDerWaalsContact C-N 3.32Å; I89-Q91 PolarHBondContact O-N 2.94Å; I89-Q91 VanDerWaalsContact O-N 3.1Å
92T35.2Very low34.4Very low98 Ų98137.4 Ų137.460%0.60175%0.747SS**  trans-108.682.5135.660.30000104.5C90C90-T92 PolarHBondContact O-N 2.98Å
93D29.8Very low33.9Very low131 Ų131138.5 Ų138.570%0.70175%0.747SS**  trans-44.5139.6143.1-64.6-69000107
94E34Very low34.1Very low171 Ų171140.4 Ų140.480%0.79975%0.754SS**  trans89.681.4-176.3-39.8-96.392.700114.1P96E94-P96 VanDerWaalsContact C-CD 3.43Å; E94-P96 WeakPolarHBondContact O-CD 3.38Å
95M33.5Very low34.5Very low162 Ų162134.4 Ų134.480%0.79875%0.746SS**  trans-84.795.8153-66.4-84.6108.600108.9
96P34.8Very low34.8Very low94 Ų94131.9 Ų131.961%0.6174%0.742SS**  trans-92.3102.3157.633-27.4000107.2E94 R98E94-P96 VanDerWaalsContact C-CD 3.43Å; E94-P96 WeakPolarHBondContact O-CD 3.38Å; P96-R98 PolarHBondContact O-N 3.15Å
97M35.1Very low34.9Very low179 Ų179135.2 Ų135.288%0.88275%0.751SS**  trans-53.398.7147.3-74.1-76.6-142.600106S99M97-S99 PolarHBondContact O-N 2.95Å
98R33.6Very low35.3Very low226 Ų226131.9 Ų131.985%0.85376%0.756SS**  trans-70.679.2166.8-79.1-173.5167.9-149-1.3107.3P96 V100P96-R98 PolarHBondContact O-N 3.15Å; R98-V100 PolarHBondContact O-N 3.18Å; R98-V100 VanDerWaalsContact O-N 3.14Å
99S29.5Very low35.5Very low102 Ų102134.1 Ų134.171%0.71376%0.759SS**  trans-64.7102.8154.551.90000106.5M97 A101M97-S99 PolarHBondContact O-N 2.95Å; S99-A101 PolarHBondContact O-N 3.05Å
100V35.1Very low35.7Very low128 Ų128136.3 Ų136.378%0.77677%0.771SS**  trans-66.991.8161.7-70.70000106.9R98 V102R98-V100 PolarHBondContact O-N 3.18Å; R98-V100 VanDerWaalsContact O-N 3.14Å; V100-V102 PolarHBondContact O-N 3.13Å
101A34.3Very low36.6Very low89 Ų89139.2 Ų139.274%0.73678%0.776SS**  trans-72.4103.3162.800000106.2S99 D103S99-A101 PolarHBondContact O-N 3.05Å; A101-D103 PolarHBondContact O-N 3.08Å
102V37.6Very low37.1Very low137 Ų137139.6 Ų139.683%0.8378%0.778SS**  trans-71.8109.7164-88.20000107V100V100-V102 PolarHBondContact O-N 3.13Å
103D34.9Very low37.5Very low131 Ų131142.4 Ų142.470%0.70178%0.784SS**  trans-86.5127.217057-5.2000110.2A101 S105A101-D103 PolarHBondContact O-N 3.08Å; D103-S105 PolarHBondContact O-N 3.03Å
104S39.9Very low37.8Very low127 Ų127144.6 Ų144.689%0.88879%0.789SS**  trans-8165.3176.1-59.60000110.2
105S43.1Very low38.4Very low93 Ų93145.1 Ų145.165%0.6579%0.789SS**  trans-175.3114.4170.143.20000115D103D103-S105 PolarHBondContact O-N 3.03Å
106G42.4Very low38.6Very low68 Ų68142.9 Ų142.970%0.70179%0.79SS**  trans80100.4130.700000119.4
107F35.9Very low39.4Very low219 Ų219143.7 Ų143.796%0.96180%0.798SS**  trans30.1111.9138-74.4-93000118.9
108G37.5Very low39.6Very low78 Ų78141 Ų14180%0.80480%0.797SS**  trans17983.4163.900000118
109K41.2Very low40.1Very low201 Ų201134.7 Ų134.787%0.87479%0.792SS**  trans42108.6148.8-75169.2178.91710119.8M111K109-M111 PolarHBondContact O-N 2.73Å
110L39Very low40.3Very low158 Ų158134.5 Ų134.583%0.82780%0.797SS**  trans-52.8121153.6-13275.7000110.7
111M51.3Low40.4Very low168 Ų168133 Ų13383%0.82880%0.799SS**  trans-125.3111.5158.7-81.7-70.5-174.600107.6K109 H113K109-M111 PolarHBondContact O-N 2.73Å; M111-H113 PolarHBondContact O-N 2.86Å
112H41.3Very low40.6Very low172 Ų172135.2 Ų135.280%0.79680%0.802SS**  trans-63113.9163.6-93.3-104.3000108
113H43.6Very low40.3Very low157 Ų157132.9 Ų132.973%0.72779%0.792SS**  trans-105.3109.6163.1-138.7-83000108.9M111 F115M111-H113 PolarHBondContact O-N 2.86Å; H113-F115 AromaticContact ND1-CE2 3.77Å
114Q36.9Very low40.9Very low176 Ų176132.7 Ų132.782%0.82280%0.798SS**  trans-62.4132.3167.5-64-173.8-13.500108.7
115F45.4Very low40.6Very low182 Ų182135.3 Ų135.380%0.79880%0.796SS**  trans-120.4101.7157.8-92.5-85.2000107.9H113H113-F115 AromaticContact ND1-CE2 3.77Å
116S38.6Very low40Very low116 Ų116134.5 Ų134.581%0.81180%0.803SS**  trans-67.6118.2154.148.10000108.1
117S51.1Low39.5Very low111 Ų111136 Ų13678%0.77680%0.801SS**  trans-154.2110152.2-164.20000109.5A119S117-A119 PolarHBondContact O-N 2.94Å
118S38.8Very low39.4Very low123 Ų123134 Ų13486%0.8679%0.793SS**  trans-68.5112170.4480000110
119A44.9Very low39.6Very low92 Ų92137.1 Ų137.176%0.7679%0.791SS**  trans-133.5123.5160.200000107.9S117 A121S117-A119 PolarHBondContact O-N 2.94Å; A119-A121 PolarHBondContact O-N 3.39Å
120A34.2Very low39.5Very low99 Ų99134.3 Ų134.382%0.81878%0.781SS**  trans-56114.9-173.900000111.7V122A120-V122 PolarHBondContact O-N 3.05Å; A120-V122 VanDerWaalsContact O-N 3.13Å
121A37Very low39.7Very low97 Ų97130 Ų13080%0.80276%0.758SS**  trans-74.997.6170.200000108.9A119 S123A119-A121 PolarHBondContact O-N 3.39Å; A121-S123 PolarHBondContact O-N 3.5Å
122V38.2Very low39.1Very low134 Ų134131 Ų13181%0.81276%0.761SS**  trans-72.2112.2159.9174.10000106.6A120A120-V122 PolarHBondContact O-N 3.05Å; A120-V122 VanDerWaalsContact O-N 3.13Å
123S31.7Very low39Very low88 Ų88126.1 Ų126.162%0.61575%0.747SS**  trans-58.1127.5177.2-56.80000111.4A121 E125A121-S123 PolarHBondContact O-N 3.5Å; S123-E125 PolarHBondContact O-N 2.84Å
124P47.1Very low38.7Very low128 Ų128123.6 Ų123.683%0.83174%0.742SS**  trans-77.6103.4157.429.9-26000107.7G126P124-G126 PolarHBondContact O-N 2.91Å
125E33.6Very low38.9Very low181 Ų181125.6 Ų125.685%0.84674%0.744SS**  trans-46.6122.2163.2-64.3-80.7121.400110.4S123S123-E125 PolarHBondContact O-N 2.84Å
126G31.1Very low38.5Very low76 Ų76122.1 Ų122.178%0.78473%0.734SS**  trans103.378.6151.600000118P124P124-G126 PolarHBondContact O-N 2.91Å
127C30.8Very low38.6Very low99 Ų99124.6 Ų124.667%0.66973%0.732SS**  trans-131.899.5135-143.70000106.9D129C127-D129 PolarHBondContact O-N 3.42Å; C127-D129 VanDerWaalsContact O-N 3.11Å
128F34.5Very low38.5Very low179 Ų179124 Ų12479%0.78572%0.717SS**  trans-76.197.2175.5-161.4-103.3000106.8Q130F128-Q130 HydrophobicContact CD1-CB 3.75Å; F128-Q130 HydrophobicContact CE1-CB 3.92Å; F128-Q130 HydrophobicContact CE1-CG 4.42Å; F128-Q130 PolarHBondContact O-N 3.5Å
129D41.5Very low38.9Very low142 Ų142125.6 Ų125.676%0.75971%0.711SS**  trans-67.479.8172.9-79.4-60.2000109.4C127C127-D129 PolarHBondContact O-N 3.42Å; C127-D129 VanDerWaalsContact O-N 3.11Å
130Q39.5Very low38.7Very low143 Ų143126.8 Ų126.867%0.66871%0.705SS**  trans-11268163.9-160.5164.732.900108.1F128F128-Q130 HydrophobicContact CD1-CB 3.75Å; F128-Q130 HydrophobicContact CE1-CB 3.92Å; F128-Q130 HydrophobicContact CE1-CG 4.42Å; F128-Q130 PolarHBondContact O-N 3.5Å
131D42Very low39.3Very low67 Ų67128.9 Ų128.936%0.35870%0.702SS.*  trans-11397.6164.7-82.1-30.6000107.7R47 K56 S133R47-D131 IonicContact NH1-OD2 3.91Å; K56-D131 IonicContact NZ-OD1 2.79Å; K56-D131 PolarHBondContact NZ-OD1 3.38Å; D131-S133 PolarHBondContact O-N 3.07Å
132Q39.2Very low39.5Very low188 Ų188129.6 Ų129.688%0.87969%0.692SS**  trans-53.273.3137.9-76160.1-20.100107.7T134Q132-T134 VanDerWaalsContact C-N 3.27Å; Q132-T134 PolarHBondContact O-N 3.19Å; Q132-T134 VanDerWaalsContact O-N 3.08Å
133S40.4Very low40Very low71 Ų71131.9 Ų131.950%0.49769%0.694SS.*  trans-68.1104.1153.156.10000103.9D131 Y135D131-S133 PolarHBondContact O-N 3.07Å; S133-Y135 PolarHBondContact O-N 2.98Å; S133-Y135 VanDerWaalsContact O-N 3.1Å
134T36.6Very low40.4Very low104 Ų104135.8 Ų135.864%0.63870%0.703SS**  trans-37122.4156.551.90000106.3Q132 D136Q132-T134 VanDerWaalsContact C-N 3.27Å; Q132-T134 PolarHBondContact O-N 3.19Å; Q132-T134 VanDerWaalsContact O-N 3.08Å; T134-D136 PolarHBondContact O-N 3.43Å
135Y40.5Very low40.1Very low218 Ų218136.3 Ų136.386%0.85570%0.697SS**  trans-54.6103.2157.4-69.4-89.7000103.2S133 E137S133-Y135 PolarHBondContact O-N 2.98Å; S133-Y135 VanDerWaalsContact O-N 3.1Å; Y135-E137 PolarHBondContact O-N 3.41Å
136D37.5Very low40.5Very low109 Ų109134.8 Ų134.858%0.58369%0.69SS**  trans-61.994.7156.3-67.7-39.2000101.6T134 E138T134-D136 PolarHBondContact O-N 3.43Å; D136-E138 PolarHBondContact O-N 3.14Å
137E41.4Very low41.1Very low167 Ų167139.3 Ų139.378%0.7869%0.691SS**  trans-53.399.8160-67.2-177.8143.800103.5Y135 E139Y135-E137 PolarHBondContact O-N 3.41Å; E137-E139 PolarHBondContact O-N 2.83Å
138E47.5Very low41.4Very low98 Ų98139.1 Ų139.146%0.45869%0.687SS.*  trans-69.380.6170.9-67.3-173.8166.700105.2K38 D136 D140K38-E138 WeakPolarHBondContact CE-OE1 3.3Å; K38-E138 IonicContact NZ-OE1 2.65Å; K38-E138 PolarHBondContact NZ-OE1 2.79Å; D136-E138 PolarHBondContact O-N 3.14Å; E138-D140 PolarHBondContact O-N 3.37Å
139E48.7Very low41.4Very low157 Ų157137.4 Ų137.473%0.73468%0.684SS**  trans-55.7123.4154.6-73.9-173.1154.100106.1E137 D141E137-E139 PolarHBondContact O-N 2.83Å; E139-D141 PolarHBondContact O-N 3.05Å
140D40.2Very low41.1Very low117 Ų117135.3 Ų135.363%0.62668%0.677SS**  trans-60.781.6178-70.9-78.7000109.5K17 E138K17-D140 IonicContact NZ-OD1 2.69Å; K17-D140 PolarHBondContact NZ-OD1 2.98Å; K17-D140 IonicContact NZ-OD2 3.73Å; E138-D140 PolarHBondContact O-N 3.37Å
141D46.9Very low40.9Very low143 Ų143134.8 Ų134.877%0.76568%0.683SS**  trans-116.9100.9164.7-75-46000109.1E139 E143E139-D141 PolarHBondContact O-N 3.05Å; D141-E143 PolarHBondContact O-N 3.49Å; D141-E143 VanDerWaalsContact O-N 3.12Å
142D40.7Very low41Very low112 Ų112139.6 Ų139.660%0.59970%0.701SS**  trans-51.8106169-69.3-68.6000111.5Y15Y15-D142 VanDerWaalsContact CE2-OD1 3.25Å; Y15-D142 WeakPolarHBondContact CE2-OD1 3.37Å; Y15-D142 WeakPolarHBondContact CE2-OD2 3.03Å; Y15-D142 VanDerWaalsContact CZ-OD1 3.26Å; Y15-D142 PolarHBondContact OH-OD1 2.92Å
143E49.4Very low41.2Very low183 Ų183138.3 Ų138.386%0.85570%0.695SS**  trans-135.9109.3152.6-157.2156.1-165.600111.1D141 I145D141-E143 PolarHBondContact O-N 3.49Å; D141-E143 VanDerWaalsContact O-N 3.12Å; E143-I145 PolarHBondContact O-N 3.2Å
144Q39.7Very low40.9Very low169 Ų169142.9 Ų142.979%0.7971%0.714SS**  trans-60104.6176.6-63.4-176.145.300109.7E146Q144-E146 PolarHBondContact O-N 3.35Å
145I41Very low41Very low139 Ų139144.7 Ų144.771%0.71372%0.72SS**  trans-93.286.115527.6171.3000107.5E143 E147E143-I145 PolarHBondContact O-N 3.2Å; I145-E147 PolarHBondContact O-N 3.37Å; I145-E147 VanDerWaalsContact O-N 3.14Å
146E42.2Very low40.9Very low150 Ų150139.4 Ų139.470%0.70171%0.714SS**  trans-60.2106.4154.9-69.6-165.8155.900107.7Q144 T148Q144-E146 PolarHBondContact O-N 3.35Å; E146-T148 PolarHBondContact O-N 3.5Å; E146-T148 VanDerWaalsContact O-N 3.16Å
147E42.2Very low40.9Very low170 Ų170139.8 Ų139.879%0.79473%0.725SS**  trans-8482.6159.3-152.6174.1-155.300106.6I145 I149I145-E147 PolarHBondContact O-N 3.37Å; I145-E147 VanDerWaalsContact O-N 3.14Å; E147-I149 VanDerWaalsContact C-N 3.31Å; E147-I149 PolarHBondContact O-N 3Å
148T37.6Very low41.1Very low95 Ų95141.3 Ų141.358%0.58373%0.73SS**  trans-59.995.3166-36.60000107.5E146 T150E146-T148 PolarHBondContact O-N 3.5Å; E146-T148 VanDerWaalsContact O-N 3.16Å; T148-T150 HydrophobicContact CG2-CG2 3.94Å; T148-T150 PolarHBondContact O-N 3.15Å
149I35.1Very low40.8Very low143 Ų143145.6 Ų145.673%0.73375%0.75SS**  trans-73.879166.8-54.6173.4000107E147 V151E147-I149 VanDerWaalsContact C-N 3.31Å; E147-I149 PolarHBondContact O-N 3Å; I149-V151 HydrophobicContact CG2-CG2 4.09Å
150T35Very low40.5Very low99 Ų99149.5 Ų149.561%0.60776%0.758SS**  trans-91.190.4158.643.40000108.1T148 K152T148-T150 HydrophobicContact CG2-CG2 3.94Å; T148-T150 PolarHBondContact O-N 3.15Å; T150-K152 PolarHBondContact O-N 3.28Å
151V35Very low40.9Very low132 Ų132149.7 Ų149.780%0.876%0.759SS**  trans-68.587.6152.1177.70000106.1I149I149-V151 HydrophobicContact CG2-CG2 4.09Å
152K44.6Very low40.7Very low167 Ų167149.9 Ų149.973%0.72676%0.755SS**  trans-144.1105.9168.3-70.7-167.3179176.60111.2T150T150-K152 PolarHBondContact O-N 3.28Å
153Q43Very low40.6Very low162 Ų162151.4 Ų151.476%0.75777%0.773SS**  trans81105.6136.9-62.3178.8-50.100117.4N155Q153-N155 PolarHBondContact O-N 3.03Å
154D33.8Very low40.3Very low166 Ų166149.5 Ų149.589%0.88876%0.764SS**  trans-41.7117.7144.3-43.9-71.6000109.6
155N39.5Very low40.5Very low143 Ų143150.9 Ų150.977%0.76577%0.77SS**  trans-147.998.3164-119.6-10.7000110.6Q153Q153-N155 PolarHBondContact O-N 3.03Å
156S38.2Very low40.8Very low106 Ų106149.3 Ų149.374%0.74177%0.767SS**  57.9102128.3-155.50000118.8K158S156-K158 PolarHBondContact O-N 3.4Å
157S37.8Very low40.8Very low117 Ų117148.1 Ų148.182%0.81877%0.77SS**  trans-16.3105.4142.8-49.40000116.4
158K45.8Very low40.9Very low200 Ų200148.8 Ų148.887%0.8778%0.775SS**  trans168102.9143.9-107.4173.4170.1175.90109S156S156-K158 PolarHBondContact O-N 3.4Å
159E40.8Very low41.1Very low188 Ų188149.5 Ų149.588%0.87979%0.791SS**  trans-162.9113.2138.5-106.5163.7168.600107.5
160R42.8Very low41.1Very low239 Ų239147.3 Ų147.390%0.90279%0.794SS**  trans-132.688.8-172.4175.4-153.3-64.5159.3-1.4103.9
161N48.6Very low41.8Very low121 Ų121149 Ų14965%0.64780%0.804SS**  trans172.4134.6177.436.7-25.4000105.7
162E42.4Very low42.4Very low147 Ų147148.4 Ų148.469%0.68781%0.806SS**  cis178.1114.63.1-169.4156.2-169.600102Q164E162-Q164 HydrophobicContact CG-CB 4.27Å
163C39Very low42.6Very low144 Ų144144.2 Ų144.297%0.97381%0.811SS**  trans-126.980.1159.9-98.90000105.7
164Q41.5Very low43Very low143 Ų143141.9 Ų141.967%0.66882%0.819SS**  trans-83.5123.7170.9-166.8-172.325.900106.8E162E162-Q164 HydrophobicContact CG-CB 4.27Å
165E44.3Very low43.5Very low197 Ų197137.1 Ų137.192%0.92181%0.809SS**  trans-154.199.1144.2-116.5-173.2158.200109.7
166T47Very low44Very low106 Ų106138.3 Ų138.365%0.6582%0.815SS**  trans-78.6133.5161.1470000108.8
167V43.7Very low44.8Very low126 Ų126139.1 Ų139.176%0.76482%0.815SS**  161.9124.8125.7-84.90000114.2
168M43.9Very low45.1Very low184 Ų184139.3 Ų139.391%0.90681%0.814SS**  trans65.6117.9137.9-49-94.6-149.500121
169A40.7Very low45.6Very low109 Ų109134.9 Ų134.990%0.90181%0.808SS**  178.3127.5116.500000112.1
170A36.7Very low46.1Very low98 Ų98133 Ų13381%0.8180%0.804SS**  trans-89.9147.8176.700000112.2
171T47.9Very low46.6Very low134 Ų134130.1 Ų130.182%0.82281%0.805SS**  trans-152.998149.452.50000107.5
172S49.2Very low46.6Very low119 Ų119132.1 Ų132.183%0.83282%0.815SS**  49.3117100.667.40000116
173G48.5Very low46.8Very low80 Ų80132.7 Ų132.783%0.82582%0.821SS**  trans156.580158.800000117.4
174A51.5Low47.1Very low112 Ų112130.2 Ų130.293%0.92681%0.812SS**  trans13.3135.3149.700000122.1
175G43.7Very low47.2Very low67 Ų67128 Ų12869%0.69182%0.818SS**  trans159.198.8145.100000116.7
176L49.6Very low47.4Very low168 Ų168125 Ų12588%0.8881%0.812SS**  trans51.9133.1134.3-52.6171.6000118.7
177T55.2Low47.7Very low123 Ų123125.5 Ų125.576%0.75582%0.815SS**  cis-168150.5-4.935.60000104.9
178P45.3Very low48.6Very low121 Ų121125.9 Ų125.979%0.78682%0.821SS**  trans-97147.2-179.936.1-29.3000112.2
179S54.5Low48.9Very low107 Ų107125.9 Ų125.975%0.74882%0.816SS**  trans-159.3118.1155.2-810000110.1
180N53.1Low48.9Very low148 Ų148126.5 Ų126.579%0.79181%0.808SS**  trans65.7101.4154.7-51-31000117.7
181I51.9Low49.5Very low179 Ų179128.6 Ų128.692%0.91881%0.811SS**  -155.2126.4120.6-88.6141.5000107.9
182L49.2Very low49.5Very low163 Ų163127.2 Ų127.285%0.85381%0.807SS**  trans-78.3130.2-172.7-15379.6000110.8
183L47.1Very low49.6Very low158 Ų158127.6 Ų127.683%0.82780%0.804SS**  trans18.9118.8141.3-158.171.8000119.5
184A43.6Very low49.8Very low93 Ų93128 Ų12877%0.76979%0.794SS**  trans-160.2109.9136.900000110.5
185A45.5Very low50Low97 Ų97130.7 Ų130.780%0.80279%0.788SS**  trans-72.9134.1165.500000109.6
186V47.6Very low50.5Low133 Ų133133.9 Ų133.981%0.80679%0.788SS**  trans-132.1112.5165.8-178.60000108.2
187T54.3Low50.7Low116 Ų116131.3 Ų131.371%0.71278%0.782SS**PPolyproline II helixtrans-83.9143.8167.151.60000109.3
188P62Low50.7Low135 Ų135133.2 Ų133.288%0.87779%0.786SS**PPolyproline II helixtrans-88.4116.2160.429.1-26000109.9
189K49.3Very low51.1Low184 Ų184131.7 Ų131.780%0.878%0.784SS**PPolyproline II helixtrans-90.5129.2177.1-148.7177.9-177.2-179.60109
190T42.2Very low51Low122 Ų122132.7 Ų132.775%0.74879%0.785SS**  trans19129.9148.663.60000120.6
191T48Very low51.4Low142 Ų142129.6 Ų129.687%0.87178%0.775SS**  trans-136.2117143.2-50.60000110.1
192S47.7Very low51.8Low104 Ų104130.2 Ų130.273%0.72777%0.772SS**  trans-91143.3172.159.50000111.2
193T52.6Low52Low127 Ų127126 Ų12678%0.77977%0.767SS**  trans-159.197.1154.5-65.50000105.1
194S52.7Low52.9Low88 Ų88125.2 Ų125.262%0.61577%0.769SS**  98.4115.279-730000111.9
195Q54.7Low53.9Low169 Ų169127.1 Ų127.179%0.7977%0.771SS**  trans74.5134.4137.4-62.5-165.668.300117
196L54Low54.7Low134 Ų134133.8 Ų133.870%0.70279%0.793SS**  cis-166.2156.47.1-98.3156.4000106.6
197P53.4Low55.1Low114 Ų114133.8 Ų133.874%0.7479%0.793SS**  trans-112.5130.1172.836.2-24.1000113
198I56.5Low55.1Low163 Ų163134.7 Ų134.784%0.83680%0.797SS**  trans-173147.6168.514.7174.4000106.9
199A54.3Low54.8Low90 Ų90134.7 Ų134.774%0.74479%0.792SS**  cis-161169.3-2.200000107.6
200T51.7Low55.1Low127 Ų127131.8 Ų131.878%0.77979%0.792SS**  trans-62.8170.3-179.542.30000116.7
201S60.8Low55.9Low84 Ų84132.4 Ų132.459%0.58780%0.795SS**  trans74.8141.3155.559.80000116.6
202F60.4Low56.4Low192 Ų192131.8 Ų131.884%0.84279%0.789SS**  cis-152.3154.438-78.8-94000112.1
203G54.6Low57Low74 Ų74133.8 Ų133.876%0.76379%0.794SS**  trans-82.2152.5162.200000112.1
204V65.6Low57.4Low141 Ų141134.3 Ų134.386%0.85580%0.795SS**  trans-141.2123.4161.9177.60000108
205T63.7Low57.8Low133 Ų133138.2 Ų138.282%0.81681%0.81SS**  trans-78.8144.9166.548.20000110.4
206N63.7Low58Low237 Ų237135.4 Ų135.4100%1.26781%0.812SS**  trans-144.40143.6-151.4-4.8000107.7

Retrieved 206 of 206 residues in 285.4 ms (Link to these results)