A0A096LUX6_POEFO Loading...

Protein numb homolog

Plays a role in the process of neurogenesis.

AlphaFold DB , UniProt , Accession A0A096LUX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 661 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
1M50.5Low51.9Low227 Ų227191.6 Ų191.6100%1.11886%0.863SS**  0-1.60-145.358.895.800115.1
2N49.3Very low51.2Low162 Ų162191.4 Ų191.487%0.86686%0.86SS**  trans-110.157.8-162.2-64.52.8000115.3
3K55.3Low50.8Low211 Ų211187.3 Ų187.392%0.91785%0.85SS**SBendtrans-134.410.1175.3-75.9-165.7176.7-176.60116.5
4L57.2Low50.8Low158 Ų158184.5 Ų184.583%0.82784%0.844SS**SBendtrans-118.540.9-175.9-158.870.1000114.1
5R59.6Low50.7Low237 Ų237184.6 Ų184.689%0.89484%0.836SS**SBendtrans-139.628.3-176.4-136.5174.4-169.1-94.12.3116.5
6Q49.8Very low50.7Low181 Ų181177.4 Ų177.485%0.84681%0.811SS**SBendtrans-128.1-5.9172.7-68.2-165.82.400115.4F8Q6-F8 PolarHBondContact O-N 2.61Å
7S49.7Very low51.4Low88 Ų88169.7 Ų169.762%0.61578%0.78SS**THydrogen-bonded Turntrans-75.32.1-17850.90000115.8
8F47.9Very low51.6Low195 Ų195165.1 Ų165.186%0.85576%0.76SS**THydrogen-bonded Turntrans-102.411178-73.4-66.1000115.1Q6 R10Q6-F8 PolarHBondContact O-N 2.61Å; F8-R10 PolarHBondContact O-N 3.37Å
9R55.7Low51.9Low231 Ų231157.2 Ų157.287%0.87273%0.725SS**SBendtrans-68.489.9150.6-72.7-168.5-178.7-143.70.7107.2K11R9-K11 PolarHBondContact O-N 3.2Å
10R49.6Very low52.2Low232 Ų232152.5 Ų152.588%0.87571%0.711SS**  trans-44.1117.9164.1-81.8-175.4168.698.6-3.3106.6F8 K12F8-R10 PolarHBondContact O-N 3.37Å; R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 PolarHBondContact O-N 2.73Å
11K46.6Very low52.9Low186 Ų186151.2 Ų151.281%0.80970%0.7SS**  trans-54.7106.2169.9-172.6179.3-176.5-176.90104.4R9 D13R9-K11 PolarHBondContact O-N 3.2Å; K11-D13 PolarHBondContact O-N 3.44Å
12K43.3Very low53.7Low189 Ų189145.1 Ų145.182%0.82268%0.677SS**  trans-63.8111.4-179.9-179.6173.5-179.3178.10104.4R10 I14R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 PolarHBondContact O-N 2.73Å; K12-I14 PolarHBondContact O-N 2.78Å
13D46.2Very low54.9Low138 Ų138144.6 Ų144.674%0.73867%0.669SS**  trans-49.5132-179-66.7-63000108K11 Y15K11-D13 PolarHBondContact O-N 3.44Å; D13-Y15 PolarHBondContact O-N 3.06Å
14I50.6Low56.2Low148 Ų148136.4 Ų136.476%0.75963%0.634SS**  trans-52.9116.9174.1-66.9167.5000104.3K12 V16K12-I14 PolarHBondContact O-N 2.78Å; I14-V16 HydrophobicContact CG2-CG2 4.34Å; I14-V16 PolarHBondContact O-N 3.27Å
15Y49Very low57.6Low186 Ų186133.2 Ų133.273%0.72961%0.611SS**  trans-74.473.7-176.9-177.2-95.9000107.6D13 P17D13-Y15 PolarHBondContact O-N 3.06Å; Y15-P17 WeakPolarHBondContact O-CD 3.32Å; Y15-P17 VanDerWaalsContact O-N 3.16Å
16V51.3Low59Low70 Ų70127.9 Ų127.942%0.42460%0.596SS.*  trans-54111.4159.11770000104.4I14 E18 S20I14-V16 HydrophobicContact CG2-CG2 4.34Å; I14-V16 PolarHBondContact O-N 3.27Å; V16-E18 PolarHBondContact O-N 3.02Å; V16-S20 VanDerWaalsContact CG1-OG 3.26Å; V16-S20 WeakPolarHBondContact CG1-OG 3.21Å
17P61.4Low61Low46 Ų46123.2 Ų123.230%0.29958%0.58SS.*  trans-55.1136.6179.4-25.135.9000108.7Y15 S19 S20Y15-P17 WeakPolarHBondContact O-CD 3.32Å; Y15-P17 VanDerWaalsContact O-N 3.16Å; P17-S19 PolarHBondContact O-N 3.47Å; P17-S20 PolarHBondContact O-N 2.92Å; P17-S20 PolarHBondContact O-OG 3.34Å
18E56.2Low63.1Low87 Ų87119.6 Ų119.641%0.40755%0.554SS.*G310 helixtrans-54.3-29.9-176.5-163.368.5-146.800111.6V16 S20 R21 Q24V16-E18 PolarHBondContact O-N 3.02Å; E18-S20 PolarHBondContact O-N 2.91Å; E18-R21 PolarHBondContact O-N 3.34Å; E18-R21 VanDerWaalsContact OE1-CD 3.29Å; E18-R21 WeakPolarHBondContact OE1-CD 3.46Å; E18-R21 IonicContact OE1-CZ 3.43Å; E18-R21 IonicContact OE1-NE 3.52Å; E18-R21 IonicContact OE1-NH1 2.95Å; E18-R21 PolarHBondContact OE1-NH1 2.99Å; E18-R21 IonicContact OE2-CZ 3.66Å; E18-R21 IonicContact OE2-NE 3.98Å; E18-R21 IonicContact OE2-NH1 3.71Å; E18-R21 PolarHBondContact OE2-NH1 3.39Å; E18-Q24 VanDerWaalsContact C-OE1 3.24Å; E18-Q24 VanDerWaalsContact CG-NE2 3.34Å; E18-Q24 PolarHBondContact O-OE1 3.39Å
19S56.4Low65.3Low14 Ų14113 Ų11310%0.09853%0.526CS..G310 helixtrans-66.3-2.417457.10000116.6P17 W25P17-S19 PolarHBondContact O-N 3.47Å; S19-W25 PolarHBondContact O-NE1 3.23Å
20S58.3Low67.1Low64 Ų64107.7 Ų107.745%0.44851%0.511SS..G310 helixtrans-110.513.8171.861.80000113.8V16 P17 E18V16-S20 VanDerWaalsContact CG1-OG 3.26Å; V16-S20 WeakPolarHBondContact CG1-OG 3.21Å; P17-S20 PolarHBondContact O-N 2.92Å; P17-S20 PolarHBondContact O-OG 3.34Å; E18-S20 PolarHBondContact O-N 2.91Å
21R67.2Low69.3Low125 Ų12597.3 Ų97.347%0.47248%0.475SS..  trans-89.1119.3168.6-67.4176.6174.5173.5-0.5110E18 H23 Q24E18-R21 PolarHBondContact O-N 3.34Å; E18-R21 VanDerWaalsContact OE1-CD 3.29Å; E18-R21 WeakPolarHBondContact OE1-CD 3.46Å; E18-R21 IonicContact OE1-CZ 3.43Å; E18-R21 IonicContact OE1-NE 3.52Å; E18-R21 IonicContact OE1-NH1 2.95Å; E18-R21 PolarHBondContact OE1-NH1 2.99Å; E18-R21 IonicContact OE2-CZ 3.66Å; E18-R21 IonicContact OE2-NE 3.98Å; E18-R21 IonicContact OE2-NH1 3.71Å; E18-R21 PolarHBondContact OE2-NH1 3.39Å; R21-H23 PolarHBondContact O-N 2.69Å; R21-H23 VanDerWaalsContact O-N 3.11Å; R21-Q24 WeakPolarHBondContact O-CB 3.3Å; R21-Q24 PolarHBondContact O-N 3.2Å
22P66.3Low71.6Confident100 Ų10088.5 Ų88.565%0.64944%0.437SS*.Hα-helixtrans-54.7-35.4-177.5-29.235.9000114.5Q24 W25 Q26P22-Q24 PolarHBondContact O-N 2.91Å; P22-W25 PolarHBondContact O-N 2.95Å; P22-W25 VanDerWaalsContact O-N 3.17Å; P22-Q26 PolarHBondContact O-N 2.94Å
23H74.9Confident74Confident150 Ų15085.4 Ų85.469%0.69442%0.42SS*.Hα-helixtrans-58.5-30.7176.6-128.662.1000113.2R21 T27R21-H23 PolarHBondContact O-N 2.69Å; R21-H23 VanDerWaalsContact O-N 3.11Å; H23-T27 PolarHBondContact O-N 2.83Å; H23-T27 PolarHBondContact O-OG1 3.33Å
24Q82.8Confident76.3Confident39 Ų3981.6 Ų81.618%0.18240%0.404CS..Hα-helixtrans-72.4-40.6177.6179.9151.6103.200111.8E18 R21 P22 Q26 T27 D28 R153E18-Q24 VanDerWaalsContact C-OE1 3.24Å; E18-Q24 VanDerWaalsContact CG-NE2 3.34Å; E18-Q24 PolarHBondContact O-OE1 3.39Å; R21-Q24 WeakPolarHBondContact O-CB 3.3Å; R21-Q24 PolarHBondContact O-N 3.2Å; P22-Q24 PolarHBondContact O-N 2.91Å; Q24-Q26 VanDerWaalsContact C-N 3.31Å; Q24-Q26 PolarHBondContact O-N 3.44Å; Q24-T27 WeakPolarHBondContact O-CB 3.24Å; Q24-T27 PolarHBondContact O-N 3.44Å; Q24-D28 VanDerWaalsContact O-CG 3.25Å; Q24-D28 PolarHBondContact O-N 3.04Å; Q24-R153 VanDerWaalsContact CG-NH2 3.26Å; Q24-R153 VanDerWaalsContact OE1-NH1 3.13Å
25W86.3Confident78.3Confident92 Ų9276.5 Ų76.535%0.34839%0.388SS..Hα-helixtrans-64.6-37.8176.1-62.8-5.8000112S19 P22 D28 E29S19-W25 PolarHBondContact O-NE1 3.23Å; P22-W25 PolarHBondContact O-N 2.95Å; P22-W25 VanDerWaalsContact O-N 3.17Å; W25-D28 WeakPolarHBondContact O-CB 3.37Å; W25-D28 PolarHBondContact O-N 3.05Å; W25-E29 PolarHBondContact O-N 3.29Å
26Q89.6Confident80.4Confident125 Ų12574.9 Ų74.958%0.58438%0.38SS*.Hα-helixtrans-68.7-36.4176.6-153.8157.342.500111.7P22 Q24 E29 E30P22-Q26 PolarHBondContact O-N 2.94Å; Q24-Q26 VanDerWaalsContact C-N 3.31Å; Q24-Q26 PolarHBondContact O-N 3.44Å; Q26-E29 WeakPolarHBondContact O-CB 3.49Å; Q26-E29 PolarHBondContact O-N 3.36Å; Q26-E30 PolarHBondContact O-N 3.46Å
27T91.9Very high82.5Confident82 Ų8271.7 Ų71.750%0.50336%0.361SS..Hα-helixtrans-63.6-41.5169.5-53.90000111.6H23 Q24 E30 A31H23-T27 PolarHBondContact O-N 2.83Å; H23-T27 PolarHBondContact O-OG1 3.33Å; Q24-T27 WeakPolarHBondContact O-CB 3.24Å; Q24-T27 PolarHBondContact O-N 3.44Å; T27-E30 PolarHBondContact O-N 3.5Å; T27-A31 WeakPolarHBondContact O-CB 3.42Å; T27-A31 PolarHBondContact O-N 3.46Å
28D93Very high84.2Confident12 Ų1272.1 Ų72.16%0.06437%0.365CS..Hα-helixtrans-64.9-39176.8-67.9-34.6000111.7Q24 W25 E30 A31 V32 R153Q24-D28 VanDerWaalsContact O-CG 3.25Å; Q24-D28 PolarHBondContact O-N 3.04Å; W25-D28 WeakPolarHBondContact O-CB 3.37Å; W25-D28 PolarHBondContact O-N 3.05Å; D28-E30 PolarHBondContact O-N 3.39Å; D28-A31 CarbonylContact O-C 3.57Å; D28-A31 WeakPolarHBondContact O-CB 3.32Å; D28-A31 PolarHBondContact O-N 3.39Å; D28-V32 VanDerWaalsContact O-CG2 3.3Å; D28-V32 WeakPolarHBondContact O-CG2 3.39Å; D28-V32 PolarHBondContact O-N 3.09Å; D28-R153 IonicContact OD1-CZ 2.69Å; D28-R153 IonicContact OD1-NE 2.72Å; D28-R153 IonicContact OD1-NH2 3.15Å; D28-R153 PolarHBondContact OD1-NH2 3.05Å; D28-R153 IonicContact OD2-CZ 2.94Å; D28-R153 VanDerWaalsContact OD2-CZ 3.26Å; D28-R153 IonicContact OD2-NE 2.89Å; D28-R153 PolarHBondContact OD2-NE 3.16Å; D28-R153 IonicContact OD2-NH2 3.17Å; D28-R153 PolarHBondContact OD2-NH2 3.13Å
29E93.7Very high86.1Confident56 Ų5668.2 Ų68.226%0.26235%0.347SS..Hα-helixtrans-60.3-45177.5-163.4-165.1137.200111.8W25 Q26 V32 R33 C160W25-E29 PolarHBondContact O-N 3.29Å; Q26-E29 WeakPolarHBondContact O-CB 3.49Å; Q26-E29 PolarHBondContact O-N 3.36Å; E29-V32 PolarHBondContact O-N 3.13Å; E29-R33 PolarHBondContact O-N 2.92Å; E29-R33 IonicContact OE1-CZ 2.7Å; E29-R33 IonicContact OE1-NH1 3.62Å; E29-R33 PolarHBondContact OE1-NH1 2.85Å; E29-R33 IonicContact OE1-NH2 2.71Å; E29-R33 PolarHBondContact OE1-NH2 2.98Å; E29-C160 HydrophobicContact CG-CB 4.1Å
30E94.1Very high88Confident121 Ų12169 Ų6957%0.56536%0.355SS*.Hα-helixtrans-67.8-38.6172.8-161.6-157.1135.900112Q26 T27 D28 V32 R33 S34Q26-E30 PolarHBondContact O-N 3.46Å; T27-E30 PolarHBondContact O-N 3.5Å; D28-E30 PolarHBondContact O-N 3.39Å; E30-V32 VanDerWaalsContact C-N 3.3Å; E30-V32 PolarHBondContact O-N 3.25Å; E30-R33 PolarHBondContact O-N 3.18Å; E30-S34 WeakPolarHBondContact O-CB 3.34Å; E30-S34 PolarHBondContact O-N 3.07Å; E30-S34 PolarHBondContact O-OG 3.4Å
31A95.5Very high89.9Confident14 Ų1466 Ų6612%0.11633%0.333CS..Hα-helixtrans-63.7-34.6175.200000112.1T27 D28 S34 G35 R36 C37T27-A31 WeakPolarHBondContact O-CB 3.42Å; T27-A31 PolarHBondContact O-N 3.46Å; D28-A31 CarbonylContact O-C 3.57Å; D28-A31 WeakPolarHBondContact O-CB 3.32Å; D28-A31 PolarHBondContact O-N 3.39Å; A31-S34 WeakPolarHBondContact CA-OG 3.49Å; A31-S34 CarbonylContact O-C 3.23Å; A31-S34 PolarHBondContact O-OG 2.77Å; A31-G35 PolarHBondContact O-N 3.33Å; A31-R36 PolarHBondContact O-N 3.07Å; A31-C37 HydrophobicContact CB-CB 3.79Å; A31-C37 PolarHBondContact O-N 2.93Å
32V96.1Very high91.2Very high1 Ų163.9 Ų63.91%0.00633%0.327CS..Hα-helixtrans-70.8-44.1174.5169.20000110.8D28 E29 E30 S34 G35 C37 V90 A157 C160 A161D28-V32 VanDerWaalsContact O-CG2 3.3Å; D28-V32 WeakPolarHBondContact O-CG2 3.39Å; D28-V32 PolarHBondContact O-N 3.09Å; E29-V32 PolarHBondContact O-N 3.13Å; E30-V32 VanDerWaalsContact C-N 3.3Å; E30-V32 PolarHBondContact O-N 3.25Å; V32-S34 VanDerWaalsContact C-N 3.26Å; V32-S34 PolarHBondContact O-N 3.04Å; V32-G35 PolarHBondContact O-N 3.11Å; V32-C37 HydrophobicContact CB-CB 4.31Å; V32-C37 HydrophobicContact CG2-CB 3.44Å; V32-C37 VanDerWaalsContact CG2-CB 3.44Å; V32-V90 HydrophobicContact CG1-CG1 4.38Å; V32-V90 HydrophobicContact CG2-CB 4.19Å; V32-V90 HydrophobicContact CG2-CG1 3.82Å; V32-A157 HydrophobicContact CG2-CB 4.06Å; V32-C160 HydrophobicContact CB-CB 4.42Å; V32-C160 HydrophobicContact CG1-CB 4.27Å; V32-A161 HydrophobicContact CG1-CB 3.74Å
33R93.3Very high92.6Very high124 Ų12460.6 Ų60.647%0.46830%0.302SS..Hα-helixtrans-61.4-34.5174.9-73-166.7-174.190.33.7112.7E29 E30E29-R33 PolarHBondContact O-N 2.92Å; E29-R33 IonicContact OE1-CZ 2.7Å; E29-R33 IonicContact OE1-NH1 3.62Å; E29-R33 PolarHBondContact OE1-NH1 2.85Å; E29-R33 IonicContact OE1-NH2 2.71Å; E29-R33 PolarHBondContact OE1-NH2 2.98Å; E30-R33 PolarHBondContact O-N 3.18Å
34S94.1Very high93.5Very high57 Ų5754.4 Ų54.440%0.39927%0.274SS..THydrogen-bonded Turntrans-91.34.6177.458.90000114.8E30 A31 V32 R36E30-S34 WeakPolarHBondContact O-CB 3.34Å; E30-S34 PolarHBondContact O-N 3.07Å; E30-S34 PolarHBondContact O-OG 3.4Å; A31-S34 WeakPolarHBondContact CA-OG 3.49Å; A31-S34 CarbonylContact O-C 3.23Å; A31-S34 PolarHBondContact O-OG 2.77Å; V32-S34 VanDerWaalsContact C-N 3.26Å; V32-S34 PolarHBondContact O-N 3.04Å; S34-R36 VanDerWaalsContact C-N 3.28Å; S34-R36 PolarHBondContact O-N 3.45Å; S34-R36 PolarHBondContact OG-NE 3.07Å; S34-R36 VanDerWaalsContact OG-NE 3.09Å; S34-R36 PolarHBondContact OG-NH2 2.79Å
35G92.8Very high94Very high41 Ų4153.3 Ų53.342%0.42327%0.273SS..THydrogen-bonded Turntrans70.115.5176.100000115.8A31 V32A31-G35 PolarHBondContact O-N 3.33Å; V32-G35 PolarHBondContact O-N 3.11Å
36R93.1Very high94.4Very high153 Ų15354 Ų5458%0.57728%0.281SS*.  trans-104.8-9.2-176.1-62.4-179.6-62.11410.2114.3A31 S34 S38A31-R36 PolarHBondContact O-N 3.07Å; S34-R36 VanDerWaalsContact C-N 3.28Å; S34-R36 PolarHBondContact O-N 3.45Å; S34-R36 PolarHBondContact OG-NE 3.07Å; S34-R36 VanDerWaalsContact OG-NE 3.09Å; S34-R36 PolarHBondContact OG-NH2 2.79Å; R36-S38 PolarHBondContact O-N 2.87Å
37C96.3Very high94.7Very high3 Ų348.8 Ų48.82%0.0226%0.257CS..EExtended strand (participates in β ladder)trans-64.4128-179-171.90000110.9A31 V32 F39 W89 V90A31-C37 HydrophobicContact CB-CB 3.79Å; A31-C37 PolarHBondContact O-N 2.93Å; V32-C37 HydrophobicContact CB-CB 4.31Å; V32-C37 HydrophobicContact CG2-CB 3.44Å; V32-C37 VanDerWaalsContact CG2-CB 3.44Å; C37-F39 WeakPolarHBondContact SG-CE2 3.36Å; C37-F39 VanDerWaalsContact SG-CZ 3.57Å; C37-W89 WeakPolarHBondContact O-CA 3.5Å; C37-V90 HydrophobicContact CB-CB 4.34Å; C37-V90 PolarHBondContact O-N 2.76Å
38S96.1Very high94.9Very high55 Ų5549.4 Ų49.439%0.38525%0.254SS..EExtended strand (participates in β ladder)trans-150.3140.3-178.152.10000113.1R36 L88R36-S38 PolarHBondContact O-N 2.87Å; S38-L88 CarbonylContact C-O 3.42Å; S38-L88 VanDerWaalsContact CA-O 3.3Å; S38-L88 WeakPolarHBondContact CA-O 3.4Å
39F96.8Very high95.1Very high4 Ų449.7 Ų49.72%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-124.9136-178-60.2-76.2000111.3C37 V41 V87 L88 V90 R153 L154 A157C37-F39 WeakPolarHBondContact SG-CE2 3.36Å; C37-F39 VanDerWaalsContact SG-CZ 3.57Å; F39-V41 HydrophobicContact CB-CG1 4.16Å; F39-V41 PolarHBondContact O-N 2.98Å; F39-V87 WeakPolarHBondContact O-CA 3.4Å; F39-L88 PolarHBondContact N-O 3Å; F39-L88 PolarHBondContact O-N 3.09Å; F39-V90 HydrophobicContact CD2-CG2 4.02Å; F39-V90 HydrophobicContact CE2-CG2 3.98Å; F39-R153 HydrophobicContact CE1-CG 4.03Å; F39-R153 HydrophobicContact CZ-CG 4.43Å; F39-L154 HydrophobicContact CB-CD1 3.94Å; F39-L154 HydrophobicContact CB-CD2 4.38Å; F39-L154 HydrophobicContact CB-CG 4.11Å; F39-L154 HydrophobicContact CD1-CD1 3.55Å; F39-L154 HydrophobicContact CD1-CG 4.23Å; F39-L154 HydrophobicContact CD2-CD1 4.14Å; F39-L154 HydrophobicContact CD2-CG 3.88Å; F39-L154 HydrophobicContact CE1-CD1 4.07Å; F39-L154 HydrophobicContact CE2-CG 4.38Å; F39-L154 HydrophobicContact CG-CD1 3.59Å; F39-L154 HydrophobicContact CG-CG 3.79Å; F39-A157 HydrophobicContact CE2-CB 3.59Å; F39-A157 HydrophobicContact CZ-CB 3.68Å
40A96.9Very high95.1Very high32 Ų3255.7 Ų55.726%0.26428%0.284SS..EExtended strand (participates in β ladder)trans-76.3114.6172.400000109.2I147A40-I147 HydrophobicContact CB-CB 4.07Å; A40-I147 HydrophobicContact CB-CD1 4.39Å; A40-I147 VanDerWaalsContact O-CB 3.29Å; A40-I147 WeakPolarHBondContact O-CB 3.45Å; A40-I147 PolarHBondContact O-N 3.12Å
41V96.8Very high95.2Very high0 Ų054.4 Ų54.40%028%0.278CS..EExtended strand (participates in β ladder)trans-128.6163.6-174.4-60.70000112.3F39 A86 L88 F144 M145 I147 L154F39-V41 HydrophobicContact CB-CG1 4.16Å; F39-V41 PolarHBondContact O-N 2.98Å; V41-A86 HydrophobicContact CG2-CB 4.14Å; V41-A86 WeakPolarHBondContact CG2-O 3.49Å; V41-A86 PolarHBondContact N-O 2.98Å; V41-A86 PolarHBondContact O-N 3.4Å; V41-L88 HydrophobicContact CG1-CB 3.98Å; V41-L88 HydrophobicContact CG1-CD2 4.5Å; V41-L88 HydrophobicContact CG2-CB 3.81Å; V41-F144 HydrophobicContact CB-CD1 4.5Å; V41-F144 HydrophobicContact CG2-CD1 4.09Å; V41-M145 CarbonylContact C-O 3.54Å; V41-M145 WeakPolarHBondContact CA-O 3.06Å; V41-I147 WeakPolarHBondContact O-CD1 3.37Å; V41-L154 HydrophobicContact CG1-CD2 3.77Å
42K95.5Very high95.3Very high80 Ų8055.5 Ų55.535%0.34829%0.285SS..EExtended strand (participates in β ladder)trans-117.8116.9167.7160.3173.8156.8178.30107.9L44 A83 V84 M145K42-L44 PolarHBondContact O-N 2.84Å; K42-A83 HydrophobicContact CD-CB 3.78Å; K42-A83 VanDerWaalsContact CE-CB 3.41Å; K42-A83 HydrophobicContact CG-CB 3.93Å; K42-V84 WeakPolarHBondContact CA-O 3.08Å; K42-M145 HydrophobicContact CB-CB 4.27Å; K42-M145 PolarHBondContact N-O 3.09Å; K42-M145 PolarHBondContact O-N 3.4Å
43Y95Very high95.3Very high31 Ų3163.6 Ų63.612%0.12232%0.316CS..EExtended strand (participates in β ladder)trans-72.7127.6-179.6-172.5-145.4000109.7G45 R69 V84 I106 H142 C143 F144Y43-G45 WeakPolarHBondContact CE2-O 3.25Å; Y43-R69 PolarHBondContact O-NH1 3.45Å; Y43-V84 PolarHBondContact N-O 3.09Å; Y43-I106 HydrophobicContact CD1-CG2 4.13Å; Y43-I106 HydrophobicContact CE1-CG2 4.06Å; Y43-H142 AromaticContact CZ-ND1 3.97Å; Y43-H142 PolarHBondContact OH-ND1 3.22Å; Y43-C143 WeakPolarHBondContact CD2-O 3.36Å; Y43-F144 AromaticContact CD2-CD1 3.88Å; Y43-F144 HydrophobicContact CD2-CD1 3.88Å; Y43-F144 AromaticContact CD2-CE1 3.5Å; Y43-F144 HydrophobicContact CD2-CE1 3.5Å; Y43-F144 HydrophobicContact CD2-CZ 4.03Å; Y43-F144 AromaticContact CE2-CE1 3.97Å; Y43-F144 HydrophobicContact CE2-CE1 3.97Å; Y43-F144 HydrophobicContact CE2-CZ 4.03Å; Y43-F144 HydrophobicContact CG-CE1 4.31Å
44L93.6Very high95.4Very high20 Ų2058.3 Ų58.311%0.10530%0.3CS..EExtended strand (participates in β ladder)trans-86-42.8177.1-59.2-176.8000110.7K42 V62 L65 C143 M145K42-L44 PolarHBondContact O-N 2.84Å; L44-V62 HydrophobicContact CD1-CG1 4.35Å; L44-L65 HydrophobicContact CB-CB 4.32Å; L44-L65 HydrophobicContact CB-CD1 4.24Å; L44-C143 HydrophobicContact CB-CB 4.1Å; L44-C143 WeakPolarHBondContact CB-O 3.43Å; L44-C143 HydrophobicContact CD1-CB 4.17Å; L44-C143 PolarHBondContact N-O 2.84Å; L44-M145 HydrophobicContact CD1-CE 3.99Å; L44-M145 HydrophobicContact CD2-CB 4.25Å; L44-M145 HydrophobicContact CG-CB 4.5Å
45G93.3Very high95.5Very high16 Ų1658.1 Ų58.117%0.16529%0.293CS..EExtended strand (participates in β ladder)trans144.3-161.8-176.800000109.7Y43 C143Y43-G45 WeakPolarHBondContact CE2-O 3.25Å; G45-C143 PolarHBondContact O-N 3Å
46H94.1Very high95.7Very high108 Ų10861 Ų6150%0.530%0.296SS..EExtended strand (participates in β ladder)trans-128.8158.8168.766.9-93000110.2I140 C141H46-I140 HydrophobicContact CB-CG2 3.67Å; H46-C141 CarbonylContact C-O 3.52Å; H46-C141 WeakPolarHBondContact CA-O 3.32Å
47V95.9Very high95.9Very high15 Ų1555.1 Ų55.19%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-136.8138.4177.1161.70000108.5V49 A61 L65 C141V47-V49 HydrophobicContact CG1-CG1 4.27Å; V47-A61 HydrophobicContact CB-CB 4.29Å; V47-A61 HydrophobicContact CG1-CB 4.38Å; V47-L65 HydrophobicContact CG2-CD1 3.98Å; V47-L65 HydrophobicContact CG2-CD2 3.89Å; V47-L65 HydrophobicContact CG2-CG 3.6Å; V47-C141 PolarHBondContact N-O 3.29Å; V47-C141 PolarHBondContact O-N 3.15Å
48E96.3Very high95.9Very high95 Ų9555 Ų5544%0.44427%0.274SS..EExtended strand (participates in β ladder)trans-68.5132.5167.7-173-177.1160.700110R138 W139 I140E48-R138 VanDerWaalsContact CD-CD 3.47Å; E48-R138 HydrophobicContact CG-CB 4.14Å; E48-R138 VanDerWaalsContact OE1-CD 3.23Å; E48-R138 WeakPolarHBondContact OE1-CD 3.26Å; E48-R138 WeakPolarHBondContact OE1-CG 3.49Å; E48-R138 IonicContact OE1-CZ 3.41Å; E48-R138 IonicContact OE1-NE 3.67Å; E48-R138 IonicContact OE1-NH1 2.64Å; E48-R138 PolarHBondContact OE1-NH1 3.17Å; E48-R138 WeakPolarHBondContact OE2-CD 3.35Å; E48-R138 IonicContact OE2-CZ 3.71Å; E48-R138 IonicContact OE2-NE 3.96Å; E48-R138 IonicContact OE2-NH1 2.76Å; E48-R138 PolarHBondContact OE2-NH1 3.13Å; E48-W139 WeakPolarHBondContact CA-O 3.34Å; E48-I140 HydrophobicContact CB-CD1 4.35Å; E48-I140 HydrophobicContact CG-CD1 4.5Å
49V97.1Very high95.9Very high17 Ų1753.6 Ų53.610%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-126157.3178.3-63.50000110.6V47 I57 A61 I130 W139 C141V47-V49 HydrophobicContact CG1-CG1 4.27Å; V49-I57 HydrophobicContact CB-CG2 3.66Å; V49-I57 HydrophobicContact CG1-CG2 3.72Å; V49-I57 HydrophobicContact CG2-CG2 4.06Å; V49-A61 HydrophobicContact CG1-CB 4.44Å; V49-I130 HydrophobicContact CG2-CD1 4.4Å; V49-I130 HydrophobicContact CG2-CG1 4.4Å; V49-I130 HydrophobicContact CG2-CG2 3.93Å; V49-W139 HydrophobicContact CG2-CB 3.77Å; V49-W139 PolarHBondContact N-O 2.96Å; V49-W139 WeakPolarHBondContact O-CB 3.15Å; V49-C141 HydrophobicContact CG1-CB 3.64Å; V49-C141 HydrophobicContact CG2-CB 4.12Å
50E94.9Very high95.8Very high183 Ų18357.2 Ų57.286%0.85528%0.281SS*.SBendtrans-85.2-41.5-176.4-171.4165.5-171.500112.3W139E50-W139 VanDerWaalsContact O-CD1 3.3Å
51E96.8Very high95.8Very high94 Ų9455.8 Ų55.844%0.43927%0.27SS..  trans-93.3151179.4-61.2-166.4-17800113.5R53 I57E51-R53 VanDerWaalsContact C-N 3.34Å; E51-I57 HydrophobicContact CB-CD1 4.24Å; E51-I57 HydrophobicContact CB-CG1 4.17Å; E51-I57 HydrophobicContact CG-CD1 4.22Å
52S95.9Very high95.7Very high37 Ų3755.8 Ų55.826%0.25927%0.27SS..SBendtrans-78.7-14177.164.40000114.6S115 W139S52-S115 WeakPolarHBondContact O-CB 3.37Å; S52-S115 PolarHBondContact O-OG 2.82Å; S52-W139 VanDerWaalsContact CB-CZ2 3.47Å
53R96.6Very high95.7Very high171 Ų17156.7 Ų56.765%0.64527%0.273SS*.SBendtrans-154.5148.2-172.563.2-174.2-178101.54.6109.1E51 F116E51-R53 VanDerWaalsContact C-N 3.34Å; R53-F116 HydrophobicContact CB-CB 3.85Å; R53-F116 HydrophobicContact CB-CD2 3.9Å; R53-F116 HydrophobicContact CB-CG 3.86Å
54G96.2Very high95.6Very high13 Ų1362.2 Ų62.213%0.13429%0.294CS..  trans151.4131.717500000113C58 F116G54-C58 PolarHBondContact O-N 3.21Å; G54-C58 PolarHBondContact O-SG 3.26Å; G54-F116 VanDerWaalsContact C-CE1 3.45Å; G54-F116 WeakPolarHBondContact O-CE1 3.45Å
55M95.9Very high95.6Very high53 Ų5362.2 Ų62.226%0.26129%0.294SS..Hα-helixtrans-64.2-51.9176.8-172.264.263.700110.7I57 C58 E59 A118M55-I57 VanDerWaalsContact C-N 3.32Å; M55-I57 PolarHBondContact O-N 3.26Å; M55-C58 WeakPolarHBondContact O-CB 3.31Å; M55-C58 PolarHBondContact O-N 3.14Å; M55-E59 WeakPolarHBondContact O-CG 3.19Å; M55-E59 PolarHBondContact O-N 3.42Å; M55-A118 HydrophobicContact CE-CB 3.86Å; M55-A118 HydrophobicContact SD-CB 3.78Å
56H96.5Very high95.4Very high102 Ų10263.1 Ų63.147%0.47229%0.294SS..Hα-helixtrans-61.9-37.5179.765.6-89.7000112.5C58 E59 D60H56-C58 VanDerWaalsContact C-N 3.28Å; H56-C58 PolarHBondContact O-N 3.02Å; H56-E59 PolarHBondContact O-N 3.41Å; H56-D60 WeakPolarHBondContact O-CB 3.27Å; H56-D60 PolarHBondContact O-N 2.58Å
57I96.9Very high95.3Very high28 Ų2861.8 Ų61.814%0.14429%0.293CS..Hα-helixtrans-58.1-40.7173.6-54.6-66.2000111.4V49 E51 M55 A61 I130V49-I57 HydrophobicContact CB-CG2 3.66Å; V49-I57 HydrophobicContact CG1-CG2 3.72Å; V49-I57 HydrophobicContact CG2-CG2 4.06Å; E51-I57 HydrophobicContact CB-CD1 4.24Å; E51-I57 HydrophobicContact CB-CG1 4.17Å; E51-I57 HydrophobicContact CG-CD1 4.22Å; M55-I57 VanDerWaalsContact C-N 3.32Å; M55-I57 PolarHBondContact O-N 3.26Å; I57-A61 WeakPolarHBondContact O-CB 3.49Å; I57-A61 PolarHBondContact O-N 2.94Å; I57-A61 VanDerWaalsContact O-N 3.15Å; I57-I130 HydrophobicContact CB-CD1 4.3Å; I57-I130 HydrophobicContact CG2-CD1 3.8Å
58C96.7Very high94.9Very high0 Ų064.1 Ų64.10%031%0.305CS..Hα-helixtrans-69.5-47.1175.7-66.80000111.6G54 M55 H56 D60 A61 V62 A118 S128G54-C58 PolarHBondContact O-N 3.21Å; G54-C58 PolarHBondContact O-SG 3.26Å; M55-C58 WeakPolarHBondContact O-CB 3.31Å; M55-C58 PolarHBondContact O-N 3.14Å; H56-C58 VanDerWaalsContact C-N 3.28Å; H56-C58 PolarHBondContact O-N 3.02Å; C58-D60 PolarHBondContact O-N 3.3Å; C58-A61 PolarHBondContact O-N 3.02Å; C58-V62 WeakPolarHBondContact O-CG2 3.43Å; C58-V62 PolarHBondContact O-N 3.43Å; C58-A118 HydrophobicContact CB-CB 4.42Å; C58-S128 WeakPolarHBondContact CB-OG 3.38Å
59E95.8Very high94.3Very high27 Ų2762.8 Ų62.813%0.12630%0.296CS..Hα-helixtrans-61.4-41.9179.9-68.1168.2152.500111.9M55 H56 V62 K63 R121M55-E59 WeakPolarHBondContact O-CG 3.19Å; M55-E59 PolarHBondContact O-N 3.42Å; H56-E59 PolarHBondContact O-N 3.41Å; E59-V62 PolarHBondContact O-N 3.11Å; E59-K63 VanDerWaalsContact O-CB 3.25Å; E59-K63 WeakPolarHBondContact O-CB 3.44Å; E59-K63 PolarHBondContact O-N 3.03Å; E59-R121 WeakPolarHBondContact OE1-CB 3.45Å; E59-R121 VanDerWaalsContact OE1-CD 3.3Å; E59-R121 WeakPolarHBondContact OE1-CD 3.47Å; E59-R121 WeakPolarHBondContact OE1-CG 3.25Å; E59-R121 PolarHBondContact OE1-N 3.13Å; E59-R121 VanDerWaalsContact OE1-N 3.13Å
60D96.1Very high93.6Very high79 Ų7969.5 Ų69.542%0.42232%0.323SS..Hα-helixtrans-72.4-34.2176.4-83.8-35.5000113.3H56 C58 K63 R64H56-D60 WeakPolarHBondContact O-CB 3.27Å; H56-D60 PolarHBondContact O-N 2.58Å; C58-D60 PolarHBondContact O-N 3.3Å; D60-K63 PolarHBondContact O-N 3.28Å; D60-K63 WeakPolarHBondContact OD1-CD 3.45Å; D60-K63 VanDerWaalsContact OD1-CE 3.31Å; D60-K63 WeakPolarHBondContact OD1-CE 3.39Å; D60-K63 IonicContact OD1-NZ 2.91Å; D60-K63 PolarHBondContact OD1-NZ 3.41Å; D60-R64 VanDerWaalsContact O-CB 3.23Å; D60-R64 WeakPolarHBondContact O-CB 3.28Å; D60-R64 PolarHBondContact O-N 2.79Å
61A96.3Very high93Very high3 Ų368.5 Ų68.53%0.02532%0.317CS..Hα-helixtrans-62.7-43170.200000111.7V47 V49 I57 C58 L65 C141V47-A61 HydrophobicContact CB-CB 4.29Å; V47-A61 HydrophobicContact CG1-CB 4.38Å; V49-A61 HydrophobicContact CG1-CB 4.44Å; I57-A61 WeakPolarHBondContact O-CB 3.49Å; I57-A61 PolarHBondContact O-N 2.94Å; I57-A61 VanDerWaalsContact O-N 3.15Å; C58-A61 PolarHBondContact O-N 3.02Å; A61-L65 WeakPolarHBondContact O-CB 3.36Å; A61-L65 PolarHBondContact O-N 3.46Å; A61-C141 HydrophobicContact CB-CB 3.92Å
62V94.8Very high92.1Very high0 Ų068.4 Ų68.40%032%0.315CS..Hα-helixtrans-65.2-41.9174.6173.60000111.4L44 C58 E59 K66 D120 A126 C143L44-V62 HydrophobicContact CD1-CG1 4.35Å; C58-V62 WeakPolarHBondContact O-CG2 3.43Å; C58-V62 PolarHBondContact O-N 3.43Å; E59-V62 PolarHBondContact O-N 3.11Å; V62-K66 HydrophobicContact CG1-CD 3.89Å; V62-K66 WeakPolarHBondContact O-CB 3.49Å; V62-K66 VanDerWaalsContact O-CG 3.29Å; V62-K66 WeakPolarHBondContact O-CG 3.35Å; V62-K66 PolarHBondContact O-N 3.13Å; V62-D120 WeakPolarHBondContact CB-OD2 3.3Å; V62-D120 WeakPolarHBondContact CG1-OD2 3.45Å; V62-A126 HydrophobicContact CG1-CB 4.04Å; V62-C143 HydrophobicContact CG2-CB 3.93Å
63K94.8Very high91.3Very high98 Ų9873.4 Ų73.443%0.42633%0.332SS..Hα-helixtrans-61.2-48.8176.2-173.2-172.5-63.81610111.1E59 D60 K66 T67E59-K63 VanDerWaalsContact O-CB 3.25Å; E59-K63 WeakPolarHBondContact O-CB 3.44Å; E59-K63 PolarHBondContact O-N 3.03Å; D60-K63 PolarHBondContact O-N 3.28Å; D60-K63 WeakPolarHBondContact OD1-CD 3.45Å; D60-K63 VanDerWaalsContact OD1-CE 3.31Å; D60-K63 WeakPolarHBondContact OD1-CE 3.39Å; D60-K63 IonicContact OD1-NZ 2.91Å; D60-K63 PolarHBondContact OD1-NZ 3.41Å; K63-K66 PolarHBondContact O-N 3.31Å; K63-T67 PolarHBondContact O-N 2.93Å; K63-T67 PolarHBondContact O-OG1 3.33Å
64R93.9Very high90.2Very high147 Ų14767.9 Ų67.956%0.55533%0.328SS*.Hα-helixtrans-58.9-55.3177-175.1174.1-179.1177.62.5111.4D60 K66 T67 D68D60-R64 VanDerWaalsContact O-CB 3.23Å; D60-R64 WeakPolarHBondContact O-CB 3.28Å; D60-R64 PolarHBondContact O-N 2.79Å; R64-K66 PolarHBondContact O-N 3.46Å; R64-T67 PolarHBondContact O-N 3.11Å; R64-D68 VanDerWaalsContact O-CG 3.29Å; R64-D68 PolarHBondContact O-N 2.91Å
65L92.8Very high89.2Confident21 Ų2173.9 Ų73.911%0.1135%0.351CS..Hα-helixtrans-59.5-32.6177.4-76.8169.4000113.3L44 V47 A61 R69 C143L44-L65 HydrophobicContact CB-CB 4.32Å; L44-L65 HydrophobicContact CB-CD1 4.24Å; V47-L65 HydrophobicContact CG2-CD1 3.98Å; V47-L65 HydrophobicContact CG2-CD2 3.89Å; V47-L65 HydrophobicContact CG2-CG 3.6Å; A61-L65 WeakPolarHBondContact O-CB 3.36Å; A61-L65 PolarHBondContact O-N 3.46Å; L65-R69 WeakPolarHBondContact O-CB 3.24Å; L65-R69 PolarHBondContact O-N 3.25Å; L65-R69 VanDerWaalsContact O-N 3.09Å; L65-C143 HydrophobicContact CD1-CB 3.63Å
66K90Very high88.1Confident35 Ų3574.8 Ų74.815%0.15235%0.353CS..Hα-helixtrans-70.2-40.7172.7-80.1169.2179.9159.20112.4V62 K63 R64 K70 F123 M145V62-K66 HydrophobicContact CG1-CD 3.89Å; V62-K66 WeakPolarHBondContact O-CB 3.49Å; V62-K66 VanDerWaalsContact O-CG 3.29Å; V62-K66 WeakPolarHBondContact O-CG 3.35Å; V62-K66 PolarHBondContact O-N 3.13Å; K63-K66 PolarHBondContact O-N 3.31Å; R64-K66 PolarHBondContact O-N 3.46Å; K66-K70 WeakPolarHBondContact O-CB 3.48Å; K66-K70 VanDerWaalsContact O-CG 3.25Å; K66-K70 WeakPolarHBondContact O-CG 3.4Å; K66-K70 PolarHBondContact O-N 3.07Å; K66-F123 HydrophobicContact CD-CD2 4.48Å; K66-F123 HydrophobicContact CD-CE1 4.31Å; K66-F123 HydrophobicContact CD-CE2 3.97Å; K66-F123 HydrophobicContact CD-CZ 3.88Å; K66-F123 VanDerWaalsContact NZ-CD1 3.25Å; K66-M145 VanDerWaalsContact CE-CE 3.44Å
67T90.8Very high86.8Confident79 Ų7974.9 Ų74.949%0.48536%0.361SS..Hα-helixtrans-69.3-49.5178.6-65.90000111.3K63 R64 R69 K70 F71K63-T67 PolarHBondContact O-N 2.93Å; K63-T67 PolarHBondContact O-OG1 3.33Å; R64-T67 PolarHBondContact O-N 3.11Å; T67-R69 VanDerWaalsContact C-N 3.28Å; T67-R69 PolarHBondContact O-N 3.32Å; T67-K70 WeakPolarHBondContact O-CA 3.08Å; T67-K70 WeakPolarHBondContact O-CB 3.39Å; T67-K70 PolarHBondContact O-N 3.29Å; T67-F71 PolarHBondContact O-N 3.33Å
68D87.3Confident85.3Confident64 Ų6483 Ų8334%0.34240%0.395SS..Hα-helixtrans-57.6-44.1175.9-62-16.3000110.4R64 K70 F71 F72R64-D68 VanDerWaalsContact O-CG 3.29Å; R64-D68 PolarHBondContact O-N 2.91Å; D68-K70 VanDerWaalsContact C-N 3.33Å; D68-K70 PolarHBondContact O-N 2.85Å; D68-F71 PolarHBondContact O-N 2.81Å; D68-F72 HydrophobicContact CB-CD2 4.45Å; D68-F72 WeakPolarHBondContact O-CB 3Å; D68-F72 VanDerWaalsContact O-CD2 3.3Å; D68-F72 WeakPolarHBondContact O-CD2 3.5Å; D68-F72 PolarHBondContact O-N 3.37Å
69R83.7Confident84Confident67 Ų6785.5 Ų85.525%0.25342%0.415SS..Hα-helixtrans-67.3-27.2175.9-177.2166.4-12714823114.2Y43 L65 T67 K73Y43-R69 PolarHBondContact O-NH1 3.45Å; L65-R69 WeakPolarHBondContact O-CB 3.24Å; L65-R69 PolarHBondContact O-N 3.25Å; L65-R69 VanDerWaalsContact O-N 3.09Å; T67-R69 VanDerWaalsContact C-N 3.28Å; T67-R69 PolarHBondContact O-N 3.32Å; R69-K73 WeakPolarHBondContact O-CB 3.22Å; R69-K73 PolarHBondContact O-N 3.37Å
70K83.4Confident82.4Confident158 Ų15886.7 Ų86.769%0.68744%0.435SS*.Hα-helixtrans-73.6-47.3171.5-79168.9178.7-179.20110.4K66 T67 D68 K73K66-K70 WeakPolarHBondContact O-CB 3.48Å; K66-K70 VanDerWaalsContact O-CG 3.25Å; K66-K70 WeakPolarHBondContact O-CG 3.4Å; K66-K70 PolarHBondContact O-N 3.07Å; T67-K70 WeakPolarHBondContact O-CA 3.08Å; T67-K70 WeakPolarHBondContact O-CB 3.39Å; T67-K70 PolarHBondContact O-N 3.29Å; D68-K70 VanDerWaalsContact C-N 3.33Å; D68-K70 PolarHBondContact O-N 2.85Å; K70-K73 WeakPolarHBondContact O-CB 3.48Å; K70-K73 PolarHBondContact O-N 2.87Å
71F81.4Confident80.9Confident162 Ų16290 Ų9071%0.71145%0.446SS*.Hα-helixtrans-62.9-57.1-179-176.4-98.3000111.2T67 D68 K73T67-F71 PolarHBondContact O-N 3.33Å; D68-F71 PolarHBondContact O-N 2.81Å; F71-K73 PolarHBondContact O-N 3.33Å; F71-K73 VanDerWaalsContact O-N 3.07Å
72F78.7Confident79.6Confident92 Ų9298.5 Ų98.540%0.40448%0.482SS..THydrogen-bonded Turntrans-74.47.9176-64.5-69000113.7D68 G74 F75 F76D68-F72 HydrophobicContact CB-CD2 4.45Å; D68-F72 WeakPolarHBondContact O-CB 3Å; D68-F72 VanDerWaalsContact O-CD2 3.3Å; D68-F72 WeakPolarHBondContact O-CD2 3.5Å; D68-F72 PolarHBondContact O-N 3.37Å; F72-G74 VanDerWaalsContact C-N 3.29Å; F72-G74 PolarHBondContact O-N 3.1Å; F72-F75 HydrophobicContact CD1-CB 4.45Å; F72-F75 PolarHBondContact O-N 3.14Å; F72-F75 VanDerWaalsContact O-N 3.15Å; F72-F76 HydrophobicContact CB-CD2 3.57Å; F72-F76 HydrophobicContact CB-CE2 3.45Å; F72-F76 VanDerWaalsContact CB-CE2 3.45Å; F72-F76 HydrophobicContact CB-CZ 4.32Å; F72-F76 HydrophobicContact CG-CE2 4.34Å; F72-F76 WeakPolarHBondContact O-CB 3.3Å; F72-F76 VanDerWaalsContact O-CD2 3.25Å; F72-F76 WeakPolarHBondContact O-CD2 3.23Å; F72-F76 PolarHBondContact O-N 2.89Å
73K78.5Confident78.7Confident143 Ų143100 Ų10062%0.62249%0.494SS*.Hα-helixtrans-55.9-42.8178.6-173.5-175.7174-167.40111.7R69 K70 F71 V77R69-K73 WeakPolarHBondContact O-CB 3.22Å; R69-K73 PolarHBondContact O-N 3.37Å; K70-K73 WeakPolarHBondContact O-CB 3.48Å; K70-K73 PolarHBondContact O-N 2.87Å; F71-K73 PolarHBondContact O-N 3.33Å; F71-K73 VanDerWaalsContact O-N 3.07Å; K73-V77 HydrophobicContact CG-CG2 4.43Å; K73-V77 VanDerWaalsContact O-CB 3.31Å; K73-V77 WeakPolarHBondContact O-CB 3.45Å; K73-V77 WeakPolarHBondContact O-CG2 3.43Å; K73-V77 PolarHBondContact O-N 3.45Å
74G73.4Confident78.4Confident54 Ų5497.7 Ų97.756%0.55749%0.489SS*.Hα-helixtrans-62.7-46.1177.100000112.3F72 V77 K78F72-G74 VanDerWaalsContact C-N 3.29Å; F72-G74 PolarHBondContact O-N 3.1Å; G74-V77 PolarHBondContact O-N 3.37Å; G74-K78 WeakPolarHBondContact O-CB 3.4Å; G74-K78 PolarHBondContact O-N 2.79Å
75F75.2Confident78.4Confident140 Ų14097.2 Ų97.261%0.61449%0.487SS*.Hα-helixtrans-63.3-48.6177.3-176.4-100.7000112.2F72 V77 K78 A79F72-F75 HydrophobicContact CD1-CB 4.45Å; F72-F75 PolarHBondContact O-N 3.14Å; F72-F75 VanDerWaalsContact O-N 3.15Å; F75-V77 PolarHBondContact O-N 2.73Å; F75-K78 PolarHBondContact O-N 3.33Å; F75-A79 WeakPolarHBondContact O-CB 3.21Å; F75-A79 PolarHBondContact O-N 3.22Å
76F73.5Confident78.5Confident72 Ų7296.3 Ų96.332%0.31648%0.483SS..Hα-helixtrans-68-30178.6-72.6-51000113.6F72 A79 G80 K81F72-F76 HydrophobicContact CB-CD2 3.57Å; F72-F76 HydrophobicContact CB-CE2 3.45Å; F72-F76 VanDerWaalsContact CB-CE2 3.45Å; F72-F76 HydrophobicContact CB-CZ 4.32Å; F72-F76 HydrophobicContact CG-CE2 4.34Å; F72-F76 WeakPolarHBondContact O-CB 3.3Å; F72-F76 VanDerWaalsContact O-CD2 3.25Å; F72-F76 WeakPolarHBondContact O-CD2 3.23Å; F72-F76 PolarHBondContact O-N 2.89Å; F76-A79 CarbonylContact O-C 3.57Å; F76-G80 CarbonylContact O-C 3.49Å; F76-G80 PolarHBondContact O-N 2.83Å; F76-G80 VanDerWaalsContact O-N 3.09Å; F76-K81 HydrophobicContact CD1-CB 3.96Å; F76-K81 PolarHBondContact O-N 3.42Å
77V69.5Low78.9Confident103 Ų10396.1 Ų96.162%0.62448%0.484SS*.Hα-helixtrans-67.9-45.8170166.60000110.5K73 G74 F75 A79 G80K73-V77 HydrophobicContact CG-CG2 4.43Å; K73-V77 VanDerWaalsContact O-CB 3.31Å; K73-V77 WeakPolarHBondContact O-CB 3.45Å; K73-V77 WeakPolarHBondContact O-CG2 3.43Å; K73-V77 PolarHBondContact O-N 3.45Å; G74-V77 PolarHBondContact O-N 3.37Å; F75-V77 PolarHBondContact O-N 2.73Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 2.88Å; V77-G80 PolarHBondContact O-N 2.83Å; V77-G80 VanDerWaalsContact O-N 3.12Å
78K65.8Low79.2Confident199 Ų19992.3 Ų92.387%0.86546%0.461SS*.Hα-helixtrans-63.5-33.6176.1-168.8173.7-177.3178.40112.5G74 F75 G80G74-K78 WeakPolarHBondContact O-CB 3.4Å; G74-K78 PolarHBondContact O-N 2.79Å; F75-K78 PolarHBondContact O-N 3.33Å; K78-G80 VanDerWaalsContact C-N 3.35Å
79A68.2Low79.7Confident52 Ų5294.1 Ų94.143%0.4346%0.463SS..THydrogen-bonded Turntrans-87.97.2175.600000114.2F75 F76 V77 K81F75-A79 WeakPolarHBondContact O-CB 3.21Å; F75-A79 PolarHBondContact O-N 3.22Å; F76-A79 CarbonylContact O-C 3.57Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 2.88Å; A79-K81 PolarHBondContact O-N 2.58Å
80G61.9Low80.4Confident53 Ų5391 Ų9155%0.54645%0.451SS..THydrogen-bonded Turntrans68.3-10.7179.200000116.8F76 V77 K78 K82F76-G80 CarbonylContact O-C 3.49Å; F76-G80 PolarHBondContact O-N 2.83Å; F76-G80 VanDerWaalsContact O-N 3.09Å; V77-G80 PolarHBondContact O-N 2.83Å; V77-G80 VanDerWaalsContact O-N 3.12Å; K78-G80 VanDerWaalsContact C-N 3.35Å; G80-K82 VanDerWaalsContact C-N 3.26Å; G80-K82 PolarHBondContact O-N 2.86Å
81K65.6Low81Confident149 Ų14984.1 Ų84.165%0.64842%0.423SS*.  trans-70.771.8-176.1-68.7-176.2-179.9-175.80112.4F76 A79F76-K81 HydrophobicContact CD1-CB 3.96Å; F76-K81 PolarHBondContact O-N 3.42Å; A79-K81 PolarHBondContact O-N 2.58Å
82K69.3Low81.6Confident180 Ų18076.7 Ų76.778%0.78339%0.391SS*.PPolyproline II helixtrans-61.4166.7169.7-71.2176-179.6173.20110.8G80 V84G80-K82 VanDerWaalsContact C-N 3.26Å; G80-K82 PolarHBondContact O-N 2.86Å; K82-V84 PolarHBondContact O-N 3.17Å
83A74.8Confident82.4Confident31 Ų3178 Ų7826%0.25640%0.403SS..PPolyproline II helixtrans-67.4125.3175.700000111.4K42 R85K42-A83 HydrophobicContact CD-CB 3.78Å; K42-A83 VanDerWaalsContact CE-CB 3.41Å; K42-A83 HydrophobicContact CG-CB 3.93Å; A83-R85 PolarHBondContact O-N 3.32Å
84V88.4Confident83.2Confident50 Ų5071.3 Ų71.330%0.30337%0.374SS..PPolyproline II helixtrans-60117.1174.6178.10000109.1K42 Y43 K82 A86 D99 I106K42-V84 WeakPolarHBondContact CA-O 3.08Å; Y43-V84 PolarHBondContact N-O 3.09Å; K82-V84 PolarHBondContact O-N 3.17Å; V84-A86 HydrophobicContact CG1-CB 4.42Å; V84-D99 WeakPolarHBondContact CG1-OD2 3.18Å; V84-I106 HydrophobicContact CG1-CD1 3.54Å
85R93.8Very high84.4Confident138 Ų13868.7 Ų68.752%0.52135%0.347SS..EExtended strand (participates in β ladder)trans-83.5134.8163.2-80.7174.751.7154.1-4.3106.6A83 D100 I147A83-R85 PolarHBondContact O-N 3.32Å; R85-D100 HydrophobicContact CB-CB 3.81Å; R85-D100 IonicContact CZ-OD2 3.99Å; R85-D100 IonicContact NE-OD2 3.59Å; R85-D100 PolarHBondContact NE-OD2 2.89Å; R85-D100 IonicContact NH2-OD2 2.84Å; R85-D100 PolarHBondContact NH2-OD2 2.92Å; R85-D100 WeakPolarHBondContact O-CB 3.18Å; R85-D100 PolarHBondContact O-N 2.95Å; R85-I147 HydrophobicContact CG-CD1 4.12Å
86A96.1Very high85.4Confident2 Ų266.7 Ų66.72%0.01734%0.336CS..EExtended strand (participates in β ladder)trans-144.4165.5-176.300000110.9V41 V84 V97 V98 I106V41-A86 HydrophobicContact CG2-CB 4.14Å; V41-A86 WeakPolarHBondContact CG2-O 3.49Å; V41-A86 PolarHBondContact N-O 2.98Å; V41-A86 PolarHBondContact O-N 3.4Å; V84-A86 HydrophobicContact CG1-CB 4.42Å; A86-V97 HydrophobicContact CB-CG1 3.56Å; A86-V98 CarbonylContact C-O 3.57Å; A86-V98 WeakPolarHBondContact CA-O 3.5Å; A86-V98 WeakPolarHBondContact CB-O 3.39Å; A86-I106 HydrophobicContact CB-CD1 3.97Å
87V97.3Very high86.6Confident30 Ų3063.3 Ų63.318%0.18232%0.321CS..EExtended strand (participates in β ladder)trans-105.9121.4165-176.30000107.4F39 W89 V97 V98F39-V87 WeakPolarHBondContact O-CA 3.4Å; V87-W89 HydrophobicContact CG1-CD2 4.47Å; V87-W89 HydrophobicContact CG1-CG 4.47Å; V87-W89 HydrophobicContact CG1-CZ2 4.32Å; V87-V97 WeakPolarHBondContact O-CA 3.35Å; V87-V98 PolarHBondContact N-O 2.8Å; V87-V98 PolarHBondContact O-N 3.27Å
88L97.7Very high87.9Confident0 Ų059.9 Ų59.90%030%0.3CS..EExtended strand (participates in β ladder)trans-88.6111.7169.3169.463.1000107.7S38 F39 V41 V90 L95 V97 F127 L154S38-L88 CarbonylContact C-O 3.42Å; S38-L88 VanDerWaalsContact CA-O 3.3Å; S38-L88 WeakPolarHBondContact CA-O 3.4Å; F39-L88 PolarHBondContact N-O 3Å; F39-L88 PolarHBondContact O-N 3.09Å; V41-L88 HydrophobicContact CG1-CB 3.98Å; V41-L88 HydrophobicContact CG1-CD2 4.5Å; V41-L88 HydrophobicContact CG2-CB 3.81Å; L88-V90 HydrophobicContact CD2-CG2 4.43Å; L88-V90 HydrophobicContact CG-CG2 4.09Å; L88-L95 HydrophobicContact CD1-CB 4.18Å; L88-V97 HydrophobicContact CD1-CG2 3.99Å; L88-F127 HydrophobicContact CD2-CD1 4.39Å; L88-F127 HydrophobicContact CD2-CE1 4.32Å; L88-L154 HydrophobicContact CD2-CD2 4.11Å
89W97.6Very high89.3Confident101 Ų10151.7 Ų51.738%0.38327%0.266SS..EExtended strand (participates in β ladder)trans-89.6135.5170.3-63.683.8000109.6C37 V87 L95 R96C37-W89 WeakPolarHBondContact O-CA 3.5Å; V87-W89 HydrophobicContact CG1-CD2 4.47Å; V87-W89 HydrophobicContact CG1-CG 4.47Å; V87-W89 HydrophobicContact CG1-CZ2 4.32Å; W89-L95 WeakPolarHBondContact O-CA 3.32Å; W89-R96 HydrophobicContact CB-CB 4.22Å; W89-R96 PolarHBondContact N-O 2.89Å; W89-R96 PolarHBondContact O-N 3.32Å
90V97.9Very high90.5Very high1 Ų151.4 Ų51.41%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-120120.9-177.9-175.90000108.7V32 C37 F39 L88 L95 A157 V158 A161V32-V90 HydrophobicContact CG1-CG1 4.38Å; V32-V90 HydrophobicContact CG2-CB 4.19Å; V32-V90 HydrophobicContact CG2-CG1 3.82Å; C37-V90 HydrophobicContact CB-CB 4.34Å; C37-V90 PolarHBondContact O-N 2.76Å; F39-V90 HydrophobicContact CD2-CG2 4.02Å; F39-V90 HydrophobicContact CE2-CG2 3.98Å; L88-V90 HydrophobicContact CD2-CG2 4.43Å; L88-V90 HydrophobicContact CG-CG2 4.09Å; V90-L95 HydrophobicContact CB-CD2 4.34Å; V90-L95 HydrophobicContact CG1-CD2 3.87Å; V90-L95 HydrophobicContact CG2-CD2 4.23Å; V90-A157 HydrophobicContact CG1-CB 4.4Å; V90-A157 WeakPolarHBondContact CG1-O 3.16Å; V90-V158 HydrophobicContact CG1-CG2 3.98Å; V90-V158 HydrophobicContact CG2-CG2 4.07Å; V90-A161 HydrophobicContact CG1-CB 3.94Å
91S96.6Very high91.9Very high15 Ų1557.6 Ų57.611%0.10527%0.269CS..  trans-139.7159-178.868.90000110.2D93 G94 A161S91-D93 PolarHBondContact O-N 2.64Å; S91-D93 VanDerWaalsContact O-N 3.13Å; S91-G94 PolarHBondContact N-O 3.41Å; S91-G94 VanDerWaalsContact N-O 3.13Å; S91-G94 PolarHBondContact O-N 2.84Å; S91-G94 PolarHBondContact OG-N 2.87Å; S91-G94 VanDerWaalsContact OG-N 3.16Å; S91-G94 PolarHBondContact OG-O 2.75Å; S91-A161 WeakPolarHBondContact O-CB 3.44Å
92A94.8Very high93.2Very high5 Ų554.4 Ų54.44%0.04126%0.262CS..SBendtrans-67.5-6.1176.300000114.3I111 A164 R168A92-I111 WeakPolarHBondContact O-CG2 3.17Å; A92-A164 HydrophobicContact CB-CB 4.06Å; A92-R168 VanDerWaalsContact CB-NH1 3.28Å
93D94.4Very high94.4Very high121 Ų12151.9 Ų51.965%0.64725%0.251SS*.SBendtrans-97.9-31.3174.4-49.8-66000112S91 I111S91-D93 PolarHBondContact O-N 2.64Å; S91-D93 VanDerWaalsContact O-N 3.13Å; D93-I111 PolarHBondContact O-N 2.99Å; D93-I111 VanDerWaalsContact O-N 3.08Å
94G95.9Very high95.4Very high1 Ų155.2 Ų55.21%0.0126%0.264CS..EExtended strand (participates in β ladder)trans175.2174.3-176.800000116.2S91 Q109S91-G94 PolarHBondContact N-O 3.41Å; S91-G94 VanDerWaalsContact N-O 3.13Å; S91-G94 PolarHBondContact O-N 2.84Å; S91-G94 PolarHBondContact OG-N 2.87Å; S91-G94 VanDerWaalsContact OG-N 3.16Å; S91-G94 PolarHBondContact OG-O 2.75Å; G94-Q109 CarbonylContact C-O 3.54Å; G94-Q109 WeakPolarHBondContact CA-O 3.36Å
95L97.6Very high95.8Very high0 Ų057.2 Ų57.20%027%0.273CS..EExtended strand (participates in β ladder)trans-105.3118.1177.3-51.1-178.5000108.6L88 W89 V90 Q109 I111 V114 Y129 V158L88-L95 HydrophobicContact CD1-CB 4.18Å; W89-L95 WeakPolarHBondContact O-CA 3.32Å; V90-L95 HydrophobicContact CB-CD2 4.34Å; V90-L95 HydrophobicContact CG1-CD2 3.87Å; V90-L95 HydrophobicContact CG2-CD2 4.23Å; L95-Q109 HydrophobicContact CB-CB 4.29Å; L95-Q109 PolarHBondContact N-O 3.04Å; L95-Q109 PolarHBondContact O-N 2.91Å; L95-I111 HydrophobicContact CD2-CD1 4.31Å; L95-I111 HydrophobicContact CG-CD1 4.28Å; L95-V114 HydrophobicContact CD1-CG2 4.41Å; L95-Y129 HydrophobicContact CD1-CD1 3.61Å; L95-Y129 HydrophobicContact CD1-CE1 3.51Å; L95-Y129 HydrophobicContact CD1-CG 4.25Å; L95-V158 HydrophobicContact CD1-CG1 4.11Å; L95-V158 HydrophobicContact CD1-CG2 4.29Å; L95-V158 HydrophobicContact CD2-CG1 4.31Å; L95-V158 HydrophobicContact CD2-CG2 3.84Å
96R97.4Very high95.8Very high98 Ų9853.6 Ų53.637%0.3726%0.264SS..EExtended strand (participates in β ladder)trans-116.1125.9-176.4-64.5172.1175.7-72-22.4110.1W89 L105 L107 D108W89-R96 HydrophobicContact CB-CB 4.22Å; W89-R96 PolarHBondContact N-O 2.89Å; W89-R96 PolarHBondContact O-N 3.32Å; R96-L105 HydrophobicContact CB-CD1 4.15Å; R96-L107 WeakPolarHBondContact CA-O 3.48Å; R96-D108 VanDerWaalsContact CZ-CG 3.42Å; R96-D108 IonicContact CZ-OD1 3.16Å; R96-D108 IonicContact CZ-OD2 3.19Å; R96-D108 IonicContact NE-OD1 3.1Å; R96-D108 IonicContact NH1-OD1 2.7Å; R96-D108 PolarHBondContact NH1-OD1 2.7Å; R96-D108 IonicContact NH1-OD2 2.71Å; R96-D108 PolarHBondContact NH1-OD2 3.11Å; R96-D108 VanDerWaalsContact NH2-CG 3.3Å; R96-D108 IonicContact NH2-OD1 2.89Å; R96-D108 PolarHBondContact NH2-OD1 2.94Å; R96-D108 IonicContact NH2-OD2 2.83Å; R96-D108 PolarHBondContact NH2-OD2 2.91Å
97V97.3Very high95.7Very high0 Ų055 Ų550%027%0.27CS..EExtended strand (participates in β ladder)trans-110.7118-179.3-172.30000109.1A86 V87 L88 I106 L107 F144A86-V97 HydrophobicContact CB-CG1 3.56Å; V87-V97 WeakPolarHBondContact O-CA 3.35Å; L88-V97 HydrophobicContact CD1-CG2 3.99Å; V97-I106 HydrophobicContact CB-CB 4.44Å; V97-I106 HydrophobicContact CG1-CB 4.39Å; V97-I106 HydrophobicContact CG1-CD1 4.08Å; V97-I106 WeakPolarHBondContact O-CB 3.14Å; V97-I106 PolarHBondContact O-N 2.78Å; V97-L107 HydrophobicContact CB-CB 3.9Å; V97-L107 HydrophobicContact CG2-CB 3.92Å; V97-L107 HydrophobicContact CG2-CD2 4.09Å; V97-L107 HydrophobicContact CG2-CG 4.47Å; V97-L107 PolarHBondContact N-O 3.05Å; V97-L107 PolarHBondContact O-N 3.42Å; V97-F144 HydrophobicContact CG1-CE1 4.26Å; V97-F144 HydrophobicContact CG2-CE1 3.71Å; V97-F144 HydrophobicContact CG2-CZ 3.93Å
98V96.9Very high95.6Very high31 Ų3157.3 Ų57.319%0.18828%0.282CS..EExtended strand (participates in β ladder)trans-117.9131.9-174.9178.40000109.9A86 V87 D100 K103 D104 L105A86-V98 CarbonylContact C-O 3.57Å; A86-V98 WeakPolarHBondContact CA-O 3.5Å; A86-V98 WeakPolarHBondContact CB-O 3.39Å; V87-V98 PolarHBondContact N-O 2.8Å; V87-V98 PolarHBondContact O-N 3.27Å; V98-D100 PolarHBondContact O-N 2.66Å; V98-K103 HydrophobicContact CG1-CB 4.38Å; V98-K103 WeakPolarHBondContact CG1-O 3.34Å; V98-D104 CarbonylContact C-O 3.5Å; V98-D104 VanDerWaalsContact CA-O 3.3Å; V98-D104 WeakPolarHBondContact CA-O 3.47Å; V98-L105 HydrophobicContact CG2-CD1 4.09Å
99D95.5Very high95.6Very high27 Ų2758.1 Ų58.114%0.14429%0.286CS..EExtended strand (participates in β ladder)trans-62.1134.3178.8-164.8-60.7000110.5V84 K101 T102 K103 D104 I106V84-D99 WeakPolarHBondContact CG1-OD2 3.18Å; D99-K101 PolarHBondContact O-N 2.92Å; D99-K101 WeakPolarHBondContact OD1-CA 3.32Å; D99-K101 WeakPolarHBondContact OD1-CB 3.49Å; D99-K101 PolarHBondContact OD1-N 2.9Å; D99-T102 WeakPolarHBondContact CB-OG1 3.47Å; D99-T102 PolarHBondContact OD1-N 2.85Å; D99-K103 VanDerWaalsContact O-CA 3.27Å; D99-K103 WeakPolarHBondContact O-CA 3.25Å; D99-K103 WeakPolarHBondContact O-CD 3.36Å; D99-K103 PolarHBondContact O-N 3.01Å; D99-K103 VanDerWaalsContact O-N 3.14Å; D99-D104 PolarHBondContact N-O 2.96Å; D99-I106 HydrophobicContact CB-CD1 3.85Å; D99-I106 HydrophobicContact CB-CG1 4.3Å
100D93.6Very high95.5Very high47 Ų4755.8 Ų55.825%0.25128%0.283SS..THydrogen-bonded Turntrans-68.5-22.8-179.1-172.827.6000112.4R85 V98 K103R85-D100 HydrophobicContact CB-CB 3.81Å; R85-D100 IonicContact CZ-OD2 3.99Å; R85-D100 IonicContact NE-OD2 3.59Å; R85-D100 PolarHBondContact NE-OD2 2.89Å; R85-D100 IonicContact NH2-OD2 2.84Å; R85-D100 PolarHBondContact NH2-OD2 2.92Å; R85-D100 WeakPolarHBondContact O-CB 3.18Å; R85-D100 PolarHBondContact O-N 2.95Å; V98-D100 PolarHBondContact O-N 2.66Å; D100-K103 WeakPolarHBondContact O-CE 3.23Å; D100-K103 PolarHBondContact O-NZ 3.02Å; D100-K103 IonicContact OD1-NZ 3.67Å
101K91.1Very high95.4Very high182 Ų18255.8 Ų55.879%0.79128%0.283SS*.THydrogen-bonded Turntrans-96.2-59.6-179.8-66.5-172.9164.1-152.80113.7D99D99-K101 PolarHBondContact O-N 2.92Å; D99-K101 WeakPolarHBondContact OD1-CA 3.32Å; D99-K101 WeakPolarHBondContact OD1-CB 3.49Å; D99-K101 PolarHBondContact OD1-N 2.9Å
102T93.5Very high95.2Very high82 Ų8261.4 Ų61.450%0.50331%0.307SS..THydrogen-bonded Turntrans-84.5-19-173.5570000112.7D99 D104D99-T102 WeakPolarHBondContact CB-OG1 3.47Å; D99-T102 PolarHBondContact OD1-N 2.85Å; T102-D104 WeakPolarHBondContact CB-OD2 3.41Å; T102-D104 PolarHBondContact O-N 2.83Å; T102-D104 PolarHBondContact OG1-N 3.14Å; T102-D104 PolarHBondContact OG1-OD2 3.47Å
103K94.9Very high95.3Very high128 Ų12866.5 Ų66.556%0.55733%0.328SS*.  trans64.217.6-170.6-48-48.8-168.2-172.10114.1V98 D99 D100V98-K103 HydrophobicContact CG1-CB 4.38Å; V98-K103 WeakPolarHBondContact CG1-O 3.34Å; D99-K103 VanDerWaalsContact O-CA 3.27Å; D99-K103 WeakPolarHBondContact O-CA 3.25Å; D99-K103 WeakPolarHBondContact O-CD 3.36Å; D99-K103 PolarHBondContact O-N 3.01Å; D99-K103 VanDerWaalsContact O-N 3.14Å; D100-K103 WeakPolarHBondContact O-CE 3.23Å; D100-K103 PolarHBondContact O-NZ 3.02Å; D100-K103 IonicContact OD1-NZ 3.67Å
104D94.8Very high95.4Very high100 Ų10061.2 Ų61.254%0.53530%0.3SS..  trans-67143.9172.1-60.8-44.3000111.5V98 D99 T102 I106V98-D104 CarbonylContact C-O 3.5Å; V98-D104 VanDerWaalsContact CA-O 3.3Å; V98-D104 WeakPolarHBondContact CA-O 3.47Å; D99-D104 PolarHBondContact N-O 2.96Å; T102-D104 WeakPolarHBondContact CB-OD2 3.41Å; T102-D104 PolarHBondContact O-N 2.83Å; T102-D104 PolarHBondContact OG1-N 3.14Å; T102-D104 PolarHBondContact OG1-OD2 3.47Å; D104-I106 PolarHBondContact O-N 2.92Å
105L96.3Very high95.4Very high92 Ų9263.5 Ų63.548%0.48232%0.317SS..EExtended strand (participates in β ladder)trans-79.5105.7171.5-176.861.5000109.7R96 V98 L107 D108R96-L105 HydrophobicContact CB-CD1 4.15Å; V98-L105 HydrophobicContact CG2-CD1 4.09Å; L105-L107 WeakPolarHBondContact CD1-O 3.3Å; L105-D108 HydrophobicContact CD2-CB 4.15Å
106I94.4Very high95.4Very high63 Ų6366.3 Ų66.332%0.32333%0.329SS..EExtended strand (participates in β ladder)trans-80-33.5-178.1-58.5154.5000111.3Y43 V84 A86 V97 D99 D104Y43-I106 HydrophobicContact CD1-CG2 4.13Å; Y43-I106 HydrophobicContact CE1-CG2 4.06Å; V84-I106 HydrophobicContact CG1-CD1 3.54Å; A86-I106 HydrophobicContact CB-CD1 3.97Å; V97-I106 HydrophobicContact CB-CB 4.44Å; V97-I106 HydrophobicContact CG1-CB 4.39Å; V97-I106 HydrophobicContact CG1-CD1 4.08Å; V97-I106 WeakPolarHBondContact O-CB 3.14Å; V97-I106 PolarHBondContact O-N 2.78Å; D99-I106 HydrophobicContact CB-CD1 3.85Å; D99-I106 HydrophobicContact CB-CG1 4.3Å; D104-I106 PolarHBondContact O-N 2.92Å
107L94.8Very high95.3Very high30 Ų3062.6 Ų62.616%0.15732%0.318CS..EExtended strand (participates in β ladder)trans-154.5132.1-173.7-171.958.5000110.2R96 V97 L105 Q109 Y129 H142 F144R96-L107 WeakPolarHBondContact CA-O 3.48Å; V97-L107 HydrophobicContact CB-CB 3.9Å; V97-L107 HydrophobicContact CG2-CB 3.92Å; V97-L107 HydrophobicContact CG2-CD2 4.09Å; V97-L107 HydrophobicContact CG2-CG 4.47Å; V97-L107 PolarHBondContact N-O 3.05Å; V97-L107 PolarHBondContact O-N 3.42Å; L105-L107 WeakPolarHBondContact CD1-O 3.3Å; L107-Q109 HydrophobicContact CG-CB 4.44Å; L107-Y129 WeakPolarHBondContact CD2-OH 3.29Å; L107-H142 WeakPolarHBondContact CD2-ND1 3.49Å; L107-F144 HydrophobicContact CD2-CZ 4.44Å
108D95.4Very high95.3Very high80 Ų8062.7 Ų62.743%0.42832%0.318SS..EExtended strand (participates in β ladder)trans-125.198.6171.8-168.91.5000108.9R96 L105R96-D108 VanDerWaalsContact CZ-CG 3.42Å; R96-D108 IonicContact CZ-OD1 3.16Å; R96-D108 IonicContact CZ-OD2 3.19Å; R96-D108 IonicContact NE-OD1 3.1Å; R96-D108 IonicContact NH1-OD1 2.7Å; R96-D108 PolarHBondContact NH1-OD1 2.7Å; R96-D108 IonicContact NH1-OD2 2.71Å; R96-D108 PolarHBondContact NH1-OD2 3.11Å; R96-D108 VanDerWaalsContact NH2-CG 3.3Å; R96-D108 IonicContact NH2-OD1 2.89Å; R96-D108 PolarHBondContact NH2-OD1 2.94Å; R96-D108 IonicContact NH2-OD2 2.83Å; R96-D108 PolarHBondContact NH2-OD2 2.91Å; L105-D108 HydrophobicContact CD2-CB 4.15Å
109Q96.4Very high95.3Very high16 Ų1662.7 Ų62.78%0.07532%0.319CS..EExtended strand (participates in β ladder)trans-109.7101.7-171.9176.161.366.800110.1G94 L95 L107 I111 K113 V114 Y129 C131G94-Q109 CarbonylContact C-O 3.54Å; G94-Q109 WeakPolarHBondContact CA-O 3.36Å; L95-Q109 HydrophobicContact CB-CB 4.29Å; L95-Q109 PolarHBondContact N-O 3.04Å; L95-Q109 PolarHBondContact O-N 2.91Å; L107-Q109 HydrophobicContact CG-CB 4.44Å; Q109-I111 PolarHBondContact O-N 2.98Å; Q109-K113 VanDerWaalsContact NE2-CB 3.32Å; Q109-V114 HydrophobicContact CG-CG2 3.49Å; Q109-V114 VanDerWaalsContact CG-CG2 3.49Å; Q109-Y129 HydrophobicContact CG-CE2 3.8Å; Q109-C131 PolarHBondContact OE1-SG 2.92Å
110T95.8Very high95.3Very high53 Ų5361.6 Ų61.633%0.32531%0.313SS..EExtended strand (participates in β ladder)trans-52.9131.1170.7-38.40000110.2E112 K113T110-E112 VanDerWaalsContact C-N 3.29Å; T110-E112 HydrophobicContact CG2-CB 4.35Å; T110-E112 HydrophobicContact CG2-CG 4.45Å; T110-E112 PolarHBondContact O-N 2.84Å; T110-K113 PolarHBondContact O-N 3.2Å
111I95.6Very high95.3Very high1 Ų168.9 Ų68.91%0.00534%0.337CS..G310 helixtrans-64.3-34.1-174.4-166.766.4000111.9A92 D93 L95 Q109 K113 V114 V158 A161 F162 C165A92-I111 WeakPolarHBondContact O-CG2 3.17Å; D93-I111 PolarHBondContact O-N 2.99Å; D93-I111 VanDerWaalsContact O-N 3.08Å; L95-I111 HydrophobicContact CD2-CD1 4.31Å; L95-I111 HydrophobicContact CG-CD1 4.28Å; Q109-I111 PolarHBondContact O-N 2.98Å; I111-K113 PolarHBondContact O-N 3.28Å; I111-K113 VanDerWaalsContact O-N 3.07Å; I111-V114 HydrophobicContact CD1-CG2 4.42Å; I111-V114 WeakPolarHBondContact O-CB 3.24Å; I111-V114 PolarHBondContact O-N 3Å; I111-V158 HydrophobicContact CD1-CG1 4.45Å; I111-A161 HydrophobicContact CD1-CB 4.29Å; I111-F162 HydrophobicContact CD1-CD1 3.87Å; I111-F162 HydrophobicContact CD1-CD2 4.46Å; I111-F162 HydrophobicContact CD1-CE1 3.77Å; I111-F162 HydrophobicContact CD1-CE2 4.38Å; I111-F162 HydrophobicContact CD1-CG 4.23Å; I111-F162 HydrophobicContact CD1-CZ 4.06Å; I111-F162 HydrophobicContact CG1-CD1 3.74Å; I111-F162 HydrophobicContact CG1-CE1 3.91Å; I111-F162 HydrophobicContact CG1-CG 4.36Å; I111-C165 HydrophobicContact CG2-CB 3.72Å; I111-C165 WeakPolarHBondContact CG2-SG 3.33Å
112E93.8Very high95.3Very high132 Ų13265.4 Ų65.462%0.61733%0.327SS*.G310 helixtrans-57.9-22.6177.2-60.3-173.8145.800114.4T110T110-E112 VanDerWaalsContact C-N 3.29Å; T110-E112 HydrophobicContact CG2-CB 4.35Å; T110-E112 HydrophobicContact CG2-CG 4.45Å; T110-E112 PolarHBondContact O-N 2.84Å
113K95.3Very high95.2Very high112 Ų11265.7 Ų65.749%0.48732%0.322SS..G310 helixtrans-92.7-9.5178.3-72.8175.8-177.4169.20113.1Q109 T110 I111 C131 R132Q109-K113 VanDerWaalsContact NE2-CB 3.32Å; T110-K113 PolarHBondContact O-N 3.2Å; I111-K113 PolarHBondContact O-N 3.28Å; I111-K113 VanDerWaalsContact O-N 3.07Å; K113-C131 CarbonylContact O-C 3.51Å; K113-C131 VanDerWaalsContact O-CA 3.24Å; K113-C131 WeakPolarHBondContact O-CA 3.42Å; K113-C131 WeakPolarHBondContact O-CB 3.33Å; K113-R132 PolarHBondContact O-N 3.19Å
114V96.4Very high95.2Very high10 Ų1065.6 Ų65.66%0.06132%0.323CS..EExtended strand (participates in β ladder)trans-85.4124.6176.8-166.40000107.7L95 Q109 I111 Y129 I130 C131 F162L95-V114 HydrophobicContact CD1-CG2 4.41Å; Q109-V114 HydrophobicContact CG-CG2 3.49Å; Q109-V114 VanDerWaalsContact CG-CG2 3.49Å; I111-V114 HydrophobicContact CD1-CG2 4.42Å; I111-V114 WeakPolarHBondContact O-CB 3.24Å; I111-V114 PolarHBondContact O-N 3Å; V114-Y129 HydrophobicContact CG1-CD2 3.66Å; V114-Y129 HydrophobicContact CG1-CG 3.89Å; V114-Y129 HydrophobicContact CG2-CD2 4.3Å; V114-Y129 HydrophobicContact CG2-CE2 4.41Å; V114-I130 VanDerWaalsContact CG1-O 3.26Å; V114-I130 WeakPolarHBondContact CG1-O 3.18Å; V114-C131 HydrophobicContact CB-CB 4.49Å; V114-C131 HydrophobicContact CG2-CB 4.25Å; V114-F162 HydrophobicContact CB-CE1 3.91Å; V114-F162 HydrophobicContact CB-CZ 3.61Å; V114-F162 HydrophobicContact CG1-CE1 4.38Å; V114-F162 HydrophobicContact CG1-CE2 4.41Å; V114-F162 HydrophobicContact CG1-CZ 3.58Å; V114-F162 VanDerWaalsContact O-CE1 3.27Å; V114-F162 WeakPolarHBondContact O-CE1 3.29Å
115S95.9Very high95.2Very high50 Ų5066 Ų6635%0.3532%0.317SS..EExtended strand (participates in β ladder)trans-99.3-23.3-174.947.70000113.4S52 I130 W139S52-S115 WeakPolarHBondContact O-CB 3.37Å; S52-S115 PolarHBondContact O-OG 2.82Å; S115-I130 PolarHBondContact N-O 3.36Å; S115-I130 PolarHBondContact OG-O 2.82Å; S115-W139 WeakPolarHBondContact OG-CZ3 3.49Å
116F97.6Very high95.2Very high58 Ų5861.6 Ų61.625%0.25429%0.294SS..EExtended strand (participates in β ladder)trans-159.9147.7-177.5-174.5-109.3000111R53 G54 A118 Y129 I130R53-F116 HydrophobicContact CB-CB 3.85Å; R53-F116 HydrophobicContact CB-CD2 3.9Å; R53-F116 HydrophobicContact CB-CG 3.86Å; G54-F116 VanDerWaalsContact C-CE1 3.45Å; G54-F116 WeakPolarHBondContact O-CE1 3.45Å; F116-A118 HydrophobicContact CE1-CB 3.7Å; F116-A118 HydrophobicContact CZ-CB 4.12Å; F116-Y129 CarbonylContact O-C 3.58Å; F116-Y129 VanDerWaalsContact O-CA 3.23Å; F116-Y129 WeakPolarHBondContact O-CA 3.41Å; F116-Y129 WeakPolarHBondContact O-CB 3.41Å; F116-I130 HydrophobicContact CB-CB 4.42Å; F116-I130 HydrophobicContact CD1-CD1 4.24Å; F116-I130 PolarHBondContact N-O 2.8Å; F116-I130 PolarHBondContact O-N 3.08Å
117C97.1Very high95.4Very high21 Ų2158.6 Ų58.614%0.14228%0.279CS..EExtended strand (participates in β ladder)trans-137.6148.7168.569.10000111F127 S128 V158 F162C117-F127 HydrophobicContact CB-CE2 3.93Å; C117-F127 HydrophobicContact CB-CZ 3.93Å; C117-S128 WeakPolarHBondContact CA-O 3.48Å; C117-V158 HydrophobicContact CB-CG1 4.03Å; C117-F162 HydrophobicContact CB-CE2 4.2Å
118A96.6Very high95.5Very high1 Ų157.2 Ų57.21%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-153.2148.8-179.700000113.3M55 C58 F116 F127 S128M55-A118 HydrophobicContact CE-CB 3.86Å; M55-A118 HydrophobicContact SD-CB 3.78Å; C58-A118 HydrophobicContact CB-CB 4.42Å; F116-A118 HydrophobicContact CE1-CB 3.7Å; F116-A118 HydrophobicContact CZ-CB 4.12Å; A118-F127 WeakPolarHBondContact O-CD2 3.31Å; A118-S128 PolarHBondContact N-O 2.9Å; A118-S128 PolarHBondContact O-N 3.34Å
119P96.6Very high95.6Very high31 Ų3153.4 Ų53.420%0.20125%0.251CS..EExtended strand (participates in β ladder)trans-73167156.236.2-34.6000110.4E152P119-E152 HydrophobicContact CB-CG 3.92Å; P119-E152 HydrophobicContact CG-CG 4.17Å
120D95.5Very high95.7Very high5 Ų552.6 Ų52.63%0.02725%0.247CC..EExtended strand (participates in β ladder)trans-105.3124.5178.6177.8-37.4000110.2V62 N122 F123 A126V62-D120 WeakPolarHBondContact CB-OD2 3.3Å; V62-D120 WeakPolarHBondContact CG1-OD2 3.45Å; D120-N122 VanDerWaalsContact C-N 3.32Å; D120-N122 PolarHBondContact O-N 3.18Å; D120-N122 WeakPolarHBondContact OD1-CA 3.37Å; D120-N122 WeakPolarHBondContact OD1-CB 3.36Å; D120-N122 PolarHBondContact OD1-N 3.32Å; D120-F123 HydrophobicContact CB-CB 4.31Å; D120-F123 CarbonylContact O-C 3.54Å; D120-F123 VanDerWaalsContact O-C 3.23Å; D120-F123 PolarHBondContact O-N 2.91Å; D120-F123 WeakPolarHBondContact OD1-CD2 3.16Å; D120-F123 PolarHBondContact OD1-N 2.72Å; D120-F123 VanDerWaalsContact OD2-CD2 3.31Å; D120-F123 WeakPolarHBondContact OD2-CD2 3.29Å; D120-A126 HydrophobicContact CB-CB 3.75Å; D120-A126 PolarHBondContact N-O 2.85Å
121R93.3Very high95.8Very high199 Ų19950.2 Ų50.275%0.75123%0.233SC*.THydrogen-bonded Turntrans-72.7-22.5-175.9-61169.3165.9-177.2-6.7113.8E59E59-R121 WeakPolarHBondContact OE1-CB 3.45Å; E59-R121 VanDerWaalsContact OE1-CD 3.3Å; E59-R121 WeakPolarHBondContact OE1-CD 3.47Å; E59-R121 WeakPolarHBondContact OE1-CG 3.25Å; E59-R121 PolarHBondContact OE1-N 3.13Å; E59-R121 VanDerWaalsContact OE1-N 3.13Å
122N91.2Very high95.8Very high109 Ų10956.2 Ų56.258%0.58326%0.256SS*.THydrogen-bonded Turntrans-87-15.3175.3-59.2149.2000111.9D120D120-N122 VanDerWaalsContact C-N 3.32Å; D120-N122 PolarHBondContact O-N 3.18Å; D120-N122 WeakPolarHBondContact OD1-CA 3.37Å; D120-N122 WeakPolarHBondContact OD1-CB 3.36Å; D120-N122 PolarHBondContact OD1-N 3.32Å
123F92.3Very high95.8Very high89 Ų8951.9 Ų51.939%0.3924%0.237SC..EExtended strand (participates in β ladder)trans-144.285.6-174.4-59.3-81.6000111.2K66 D120 R125 A126K66-F123 HydrophobicContact CD-CD2 4.48Å; K66-F123 HydrophobicContact CD-CE1 4.31Å; K66-F123 HydrophobicContact CD-CE2 3.97Å; K66-F123 HydrophobicContact CD-CZ 3.88Å; K66-F123 VanDerWaalsContact NZ-CD1 3.25Å; D120-F123 HydrophobicContact CB-CB 4.31Å; D120-F123 CarbonylContact O-C 3.54Å; D120-F123 VanDerWaalsContact O-C 3.23Å; D120-F123 PolarHBondContact O-N 2.91Å; D120-F123 WeakPolarHBondContact OD1-CD2 3.16Å; D120-F123 PolarHBondContact OD1-N 2.72Å; D120-F123 VanDerWaalsContact OD2-CD2 3.31Å; D120-F123 WeakPolarHBondContact OD2-CD2 3.29Å; F123-R125 PolarHBondContact O-N 2.81Å; F123-A126 HydrophobicContact CB-CB 3.93Å; F123-A126 PolarHBondContact O-N 3.01Å
124E93.9Very high95.5Very high125 Ų12549.4 Ų49.458%0.58424%0.243SC*.EExtended strand (participates in β ladder)trans-34-33.7175.6-172.8-160.7170.300116G151E124-G151 PolarHBondContact O-N 3.32Å
125R95.3Very high95.2Very high109 Ų10954.9 Ų54.941%0.41128%0.276SS..EExtended strand (participates in β ladder)trans-101.40.3-176.8-65.3174.451.6164.31.5115F123 M145 A146 I147F123-R125 PolarHBondContact O-N 2.81Å; R125-M145 HydrophobicContact CB-SD 4.09Å; R125-M145 CarbonylContact O-C 3.55Å; R125-M145 WeakPolarHBondContact O-CA 3.39Å; R125-A146 PolarHBondContact NE-O 3.09Å; R125-A146 VanDerWaalsContact NE-O 3.15Å; R125-A146 PolarHBondContact NH2-O 2.95Å; R125-A146 PolarHBondContact O-N 2.65Å; R125-I147 VanDerWaalsContact NH2-C 3.28Å; R125-I147 PolarHBondContact NH2-O 3.05Å
126A96.3Very high94.9Very high0 Ų055.9 Ų55.90%028%0.281CS..EExtended strand (participates in β ladder)trans-90.7141.6173.700000110.1V62 D120 F123 F144 M145V62-A126 HydrophobicContact CG1-CB 4.04Å; D120-A126 HydrophobicContact CB-CB 3.75Å; D120-A126 PolarHBondContact N-O 2.85Å; F123-A126 HydrophobicContact CB-CB 3.93Å; F123-A126 PolarHBondContact O-N 3.01Å; A126-F144 WeakPolarHBondContact CA-O 3.49Å; A126-M145 HydrophobicContact CB-CE 3.44Å; A126-M145 VanDerWaalsContact CB-CE 3.44Å; A126-M145 HydrophobicContact CB-SD 4.27Å
127F97.8Very high94.7Very high0 Ų062.5 Ų62.50%030%0.304CS..EExtended strand (participates in β ladder)trans-138.1143.7178.1168.8-106.7000108.3L88 C117 A118 Y129 F144 L154 V158L88-F127 HydrophobicContact CD2-CD1 4.39Å; L88-F127 HydrophobicContact CD2-CE1 4.32Å; C117-F127 HydrophobicContact CB-CE2 3.93Å; C117-F127 HydrophobicContact CB-CZ 3.93Å; A118-F127 WeakPolarHBondContact O-CD2 3.31Å; F127-Y129 HydrophobicContact CE1-CD1 4.15Å; F127-F144 HydrophobicContact CD1-CD2 4.12Å; F127-F144 PolarHBondContact N-O 2.85Å; F127-F144 VanDerWaalsContact N-O 3.13Å; F127-F144 PolarHBondContact O-N 3.36Å; F127-L154 HydrophobicContact CB-CB 4.06Å; F127-L154 HydrophobicContact CB-CD2 3.96Å; F127-L154 HydrophobicContact CD1-CB 3.99Å; F127-L154 HydrophobicContact CD1-CD2 3.97Å; F127-L154 HydrophobicContact CD2-CB 4.08Å; F127-L154 HydrophobicContact CG-CB 3.74Å; F127-L154 HydrophobicContact CG-CD2 4.13Å; F127-V158 HydrophobicContact CE1-CG2 4.11Å; F127-V158 HydrophobicContact CZ-CB 4.08Å; F127-V158 HydrophobicContact CZ-CG1 4.33Å; F127-V158 HydrophobicContact CZ-CG2 3.74Å
128S97.6Very high94.6Very high0 Ų067.5 Ų67.50%032%0.32CS..EExtended strand (participates in β ladder)trans-149.8154.5179.831.50000112.1C58 C117 A118 H142C58-S128 WeakPolarHBondContact CB-OG 3.38Å; C117-S128 WeakPolarHBondContact CA-O 3.48Å; A118-S128 PolarHBondContact N-O 2.9Å; A118-S128 PolarHBondContact O-N 3.34Å; S128-H142 WeakPolarHBondContact CA-O 3.23Å; S128-H142 VanDerWaalsContact CB-O 3.29Å; S128-H142 WeakPolarHBondContact CB-O 3.44Å
129Y98.1Very high94.6Very high0 Ų070.1 Ų70.10%033%0.329CS..EExtended strand (participates in β ladder)trans-135.9151.3170.766.6-106.6000110.7L95 L107 Q109 V114 F116 F127 C131 C141 H142 F144L95-Y129 HydrophobicContact CD1-CD1 3.61Å; L95-Y129 HydrophobicContact CD1-CE1 3.51Å; L95-Y129 HydrophobicContact CD1-CG 4.25Å; L107-Y129 WeakPolarHBondContact CD2-OH 3.29Å; Q109-Y129 HydrophobicContact CG-CE2 3.8Å; V114-Y129 HydrophobicContact CG1-CD2 3.66Å; V114-Y129 HydrophobicContact CG1-CG 3.89Å; V114-Y129 HydrophobicContact CG2-CD2 4.3Å; V114-Y129 HydrophobicContact CG2-CE2 4.41Å; F116-Y129 CarbonylContact O-C 3.58Å; F116-Y129 VanDerWaalsContact O-CA 3.23Å; F116-Y129 WeakPolarHBondContact O-CA 3.41Å; F116-Y129 WeakPolarHBondContact O-CB 3.41Å; F127-Y129 HydrophobicContact CE1-CD1 4.15Å; Y129-C131 HydrophobicContact CD2-CB 4.23Å; Y129-C131 HydrophobicContact CE2-CB 4.13Å; Y129-C141 CarbonylContact O-C 3.52Å; Y129-C141 WeakPolarHBondContact O-CA 3.46Å; Y129-H142 HydrophobicContact CD2-CB 4.32Å; Y129-H142 HydrophobicContact CE1-CB 4.12Å; Y129-H142 HydrophobicContact CE2-CB 3.84Å; Y129-H142 AromaticContact CE2-CD2 3.51Å; Y129-H142 AromaticContact CE2-CG 3.88Å; Y129-H142 AromaticContact CZ-CD2 3.98Å; Y129-H142 AromaticContact CZ-CG 3.93Å; Y129-H142 PolarHBondContact N-O 3.15Å; Y129-H142 VanDerWaalsContact N-O 3.17Å; Y129-H142 PolarHBondContact O-N 3.46Å; Y129-F144 AromaticContact CD1-CE2 3.98Å; Y129-F144 HydrophobicContact CD1-CE2 3.98Å; Y129-F144 AromaticContact CE1-CE2 3.54Å; Y129-F144 HydrophobicContact CE1-CE2 3.54Å; Y129-F144 HydrophobicContact CE1-CZ 4.01Å
130I97.8Very high94.6Very high0 Ų069.7 Ų69.70%033%0.325CS..EExtended strand (participates in β ladder)trans-102.2129.5172.3-55.8172.5000107.3V49 I57 V114 S115 F116 W139 I140 C141V49-I130 HydrophobicContact CG2-CD1 4.4Å; V49-I130 HydrophobicContact CG2-CG1 4.4Å; V49-I130 HydrophobicContact CG2-CG2 3.93Å; I57-I130 HydrophobicContact CB-CD1 4.3Å; I57-I130 HydrophobicContact CG2-CD1 3.8Å; V114-I130 VanDerWaalsContact CG1-O 3.26Å; V114-I130 WeakPolarHBondContact CG1-O 3.18Å; S115-I130 PolarHBondContact N-O 3.36Å; S115-I130 PolarHBondContact OG-O 2.82Å; F116-I130 HydrophobicContact CB-CB 4.42Å; F116-I130 HydrophobicContact CD1-CD1 4.24Å; F116-I130 PolarHBondContact N-O 2.8Å; F116-I130 PolarHBondContact O-N 3.08Å; I130-W139 HydrophobicContact CG2-CB 4Å; I130-W139 HydrophobicContact CG2-CE3 4.25Å; I130-I140 WeakPolarHBondContact CA-O 3.38Å; I130-C141 HydrophobicContact CG1-CB 4.2Å
131C97Very high94.7Very high3 Ų369.5 Ų69.52%0.0232%0.324CS..EExtended strand (participates in β ladder)trans-126.3161.5172.466.90000111.2Q109 K113 V114 Y129 I140Q109-C131 PolarHBondContact OE1-SG 2.92Å; K113-C131 CarbonylContact O-C 3.51Å; K113-C131 VanDerWaalsContact O-CA 3.24Å; K113-C131 WeakPolarHBondContact O-CA 3.42Å; K113-C131 WeakPolarHBondContact O-CB 3.33Å; V114-C131 HydrophobicContact CB-CB 4.49Å; V114-C131 HydrophobicContact CG2-CB 4.25Å; Y129-C131 HydrophobicContact CD2-CB 4.23Å; Y129-C131 HydrophobicContact CE2-CB 4.13Å; C131-I140 PolarHBondContact N-O 3.41Å; C131-I140 PolarHBondContact O-N 2.77Å
132R95.8Very high94.9Very high127 Ų12760.6 Ų60.648%0.47929%0.291SS..EExtended strand (participates in β ladder)trans-92.1120.7171.7-153.7174.8-169.6163.46.3110.4K113 G134 W139K113-R132 PolarHBondContact O-N 3.19Å; R132-G134 PolarHBondContact O-N 3.15Å; R132-W139 HydrophobicContact CB-CE3 3.81Å; R132-W139 HydrophobicContact CB-CH2 4.12Å; R132-W139 HydrophobicContact CB-CZ3 3.51Å; R132-W139 HydrophobicContact CG-CD2 4.37Å; R132-W139 HydrophobicContact CG-CE3 3.96Å; R132-W139 HydrophobicContact CG-CH2 4.04Å; R132-W139 HydrophobicContact CG-CZ2 4.42Å; R132-W139 HydrophobicContact CG-CZ3 3.81Å
133D94.4Very high95.2Very high41 Ų4155.4 Ų55.422%0.21926%0.263CS..  trans-75.9119.8164.717225.7000109.4T135 T136 R137 R138 I140D133-T135 VanDerWaalsContact C-N 3.25Å; D133-T135 VanDerWaalsContact CG-OG1 3.24Å; D133-T135 PolarHBondContact O-N 2.87Å; D133-T135 WeakPolarHBondContact OD1-CB 3.27Å; D133-T135 PolarHBondContact OD1-N 2.9Å; D133-T135 PolarHBondContact OD1-OG1 2.88Å; D133-T135 PolarHBondContact OD2-OG1 2.86Å; D133-T136 VanDerWaalsContact OD2-CB 3.22Å; D133-T136 WeakPolarHBondContact OD2-CB 3.48Å; D133-T136 VanDerWaalsContact OD2-CG2 3.24Å; D133-T136 WeakPolarHBondContact OD2-CG2 3.4Å; D133-T136 PolarHBondContact OD2-N 2.8Å; D133-T136 PolarHBondContact OD2-OG1 2.77Å; D133-R137 WeakPolarHBondContact O-CA 3.38Å; D133-R137 PolarHBondContact O-N 3.34Å; D133-R138 PolarHBondContact N-O 3.07Å; D133-R138 VanDerWaalsContact N-O 3.11Å; D133-I140 HydrophobicContact CB-CG1 3.96Å
134G88.2Confident95.4Very high60 Ų6051.2 Ų51.262%0.61925%0.245SC*.THydrogen-bonded Turntrans-71.4-18.3177.600000113.8R132R132-G134 PolarHBondContact O-N 3.15Å
135T90.3Very high95.5Very high124 Ų12447 Ų4776%0.76123%0.226SC*.THydrogen-bonded Turntrans-86.6-55.2-177.3690000111.8D133D133-T135 VanDerWaalsContact C-N 3.25Å; D133-T135 VanDerWaalsContact CG-OG1 3.24Å; D133-T135 PolarHBondContact O-N 2.87Å; D133-T135 WeakPolarHBondContact OD1-CB 3.27Å; D133-T135 PolarHBondContact OD1-N 2.9Å; D133-T135 PolarHBondContact OD1-OG1 2.88Å; D133-T135 PolarHBondContact OD2-OG1 2.86Å
136T90.9Very high95.5Very high72 Ų7241.8 Ų41.844%0.44221%0.206SC..THydrogen-bonded Turntrans-84.7-10.1177.466.60000114.2D133 R138D133-T136 VanDerWaalsContact OD2-CB 3.22Å; D133-T136 WeakPolarHBondContact OD2-CB 3.48Å; D133-T136 VanDerWaalsContact OD2-CG2 3.24Å; D133-T136 WeakPolarHBondContact OD2-CG2 3.4Å; D133-T136 PolarHBondContact OD2-N 2.8Å; D133-T136 PolarHBondContact OD2-OG1 2.77Å; T136-R138 PolarHBondContact O-N 2.8Å
137R92Very high95.4Very high197 Ų19744.5 Ų44.574%0.74322%0.22SC*.  trans64.91.3-174.5-56.7-176171.9-147.5-2.7115.9D133D133-R137 WeakPolarHBondContact O-CA 3.38Å; D133-R137 PolarHBondContact O-N 3.34Å
138R95.6Very high95.1Very high126 Ų12652.9 Ų52.948%0.47526%0.256SS..  trans-82.3164.7-178.9-66.4156.6-179.8-102.7-9.3111.7E48 D133 T136E48-R138 VanDerWaalsContact CD-CD 3.47Å; E48-R138 HydrophobicContact CG-CB 4.14Å; E48-R138 VanDerWaalsContact OE1-CD 3.23Å; E48-R138 WeakPolarHBondContact OE1-CD 3.26Å; E48-R138 WeakPolarHBondContact OE1-CG 3.49Å; E48-R138 IonicContact OE1-CZ 3.41Å; E48-R138 IonicContact OE1-NE 3.67Å; E48-R138 IonicContact OE1-NH1 2.64Å; E48-R138 PolarHBondContact OE1-NH1 3.17Å; E48-R138 WeakPolarHBondContact OE2-CD 3.35Å; E48-R138 IonicContact OE2-CZ 3.71Å; E48-R138 IonicContact OE2-NE 3.96Å; E48-R138 IonicContact OE2-NH1 2.76Å; E48-R138 PolarHBondContact OE2-NH1 3.13Å; D133-R138 PolarHBondContact N-O 3.07Å; D133-R138 VanDerWaalsContact N-O 3.11Å; T136-R138 PolarHBondContact O-N 2.8Å
139W97.3Very high94.9Very high56 Ų5653.8 Ų53.821%0.21226%0.261CS..EExtended strand (participates in β ladder)trans-93.1133.1172.4-57.7105.1000109.7E48 V49 E50 S52 S115 I130 R132E48-W139 WeakPolarHBondContact CA-O 3.34Å; V49-W139 HydrophobicContact CG2-CB 3.77Å; V49-W139 PolarHBondContact N-O 2.96Å; V49-W139 WeakPolarHBondContact O-CB 3.15Å; E50-W139 VanDerWaalsContact O-CD1 3.3Å; S52-W139 VanDerWaalsContact CB-CZ2 3.47Å; S115-W139 WeakPolarHBondContact OG-CZ3 3.49Å; I130-W139 HydrophobicContact CG2-CB 4Å; I130-W139 HydrophobicContact CG2-CE3 4.25Å; R132-W139 HydrophobicContact CB-CE3 3.81Å; R132-W139 HydrophobicContact CB-CH2 4.12Å; R132-W139 HydrophobicContact CB-CZ3 3.51Å; R132-W139 HydrophobicContact CG-CD2 4.37Å; R132-W139 HydrophobicContact CG-CE3 3.96Å; R132-W139 HydrophobicContact CG-CH2 4.04Å; R132-W139 HydrophobicContact CG-CZ2 4.42Å; R132-W139 HydrophobicContact CG-CZ3 3.81Å
140I97.1Very high94.8Very high22 Ų2254.1 Ų54.111%0.11326%0.263CS..EExtended strand (participates in β ladder)trans-121.1120.3-176.3-55-61.8000108.4H46 E48 I130 C131 D133H46-I140 HydrophobicContact CB-CG2 3.67Å; E48-I140 HydrophobicContact CB-CD1 4.35Å; E48-I140 HydrophobicContact CG-CD1 4.5Å; I130-I140 WeakPolarHBondContact CA-O 3.38Å; C131-I140 PolarHBondContact N-O 3.41Å; C131-I140 PolarHBondContact O-N 2.77Å; D133-I140 HydrophobicContact CB-CG1 3.96Å
141C97.5Very high94.6Very high0 Ų054.1 Ų54.10%026%0.263CS..EExtended strand (participates in β ladder)trans-92.3118.4172.6-171.90000109.5H46 V47 V49 A61 Y129 I130H46-C141 CarbonylContact C-O 3.52Å; H46-C141 WeakPolarHBondContact CA-O 3.32Å; V47-C141 PolarHBondContact N-O 3.29Å; V47-C141 PolarHBondContact O-N 3.15Å; V49-C141 HydrophobicContact CG1-CB 3.64Å; V49-C141 HydrophobicContact CG2-CB 4.12Å; A61-C141 HydrophobicContact CB-CB 3.92Å; Y129-C141 CarbonylContact O-C 3.52Å; Y129-C141 WeakPolarHBondContact O-CA 3.46Å; I130-C141 HydrophobicContact CG1-CB 4.2Å
142H97Very high94.5Very high13 Ų1359.7 Ų59.76%0.0629%0.289CS..EExtended strand (participates in β ladder)trans-97.5128.9174.2-71-95000110.2Y43 L107 S128 Y129 F144Y43-H142 AromaticContact CZ-ND1 3.97Å; Y43-H142 PolarHBondContact OH-ND1 3.22Å; L107-H142 WeakPolarHBondContact CD2-ND1 3.49Å; S128-H142 WeakPolarHBondContact CA-O 3.23Å; S128-H142 VanDerWaalsContact CB-O 3.29Å; S128-H142 WeakPolarHBondContact CB-O 3.44Å; Y129-H142 HydrophobicContact CD2-CB 4.32Å; Y129-H142 HydrophobicContact CE1-CB 4.12Å; Y129-H142 HydrophobicContact CE2-CB 3.84Å; Y129-H142 AromaticContact CE2-CD2 3.51Å; Y129-H142 AromaticContact CE2-CG 3.88Å; Y129-H142 AromaticContact CZ-CD2 3.98Å; Y129-H142 AromaticContact CZ-CG 3.93Å; Y129-H142 PolarHBondContact N-O 3.15Å; Y129-H142 VanDerWaalsContact N-O 3.17Å; Y129-H142 PolarHBondContact O-N 3.46Å; H142-F144 HydrophobicContact CB-CE2 3.77Å; H142-F144 HydrophobicContact CB-CZ 4.13Å
143C96.6Very high94.5Very high0 Ų055 Ų550%027%0.272CS..EExtended strand (participates in β ladder)trans-118.3134.7-173.2-57.90000113Y43 L44 G45 V62 L65Y43-C143 WeakPolarHBondContact CD2-O 3.36Å; L44-C143 HydrophobicContact CB-CB 4.1Å; L44-C143 WeakPolarHBondContact CB-O 3.43Å; L44-C143 HydrophobicContact CD1-CB 4.17Å; L44-C143 PolarHBondContact N-O 2.84Å; G45-C143 PolarHBondContact O-N 3Å; V62-C143 HydrophobicContact CG2-CB 3.93Å; L65-C143 HydrophobicContact CD1-CB 3.63Å
144F96.8Very high94.6Very high0 Ų053.1 Ų53.10%026%0.261CS..EExtended strand (participates in β ladder)trans-127.6159.2-175.5-57.1-87.9000111.3V41 Y43 V97 L107 A126 F127 Y129 H142V41-F144 HydrophobicContact CB-CD1 4.5Å; V41-F144 HydrophobicContact CG2-CD1 4.09Å; Y43-F144 AromaticContact CD2-CD1 3.88Å; Y43-F144 HydrophobicContact CD2-CD1 3.88Å; Y43-F144 AromaticContact CD2-CE1 3.5Å; Y43-F144 HydrophobicContact CD2-CE1 3.5Å; Y43-F144 HydrophobicContact CD2-CZ 4.03Å; Y43-F144 AromaticContact CE2-CE1 3.97Å; Y43-F144 HydrophobicContact CE2-CE1 3.97Å; Y43-F144 HydrophobicContact CE2-CZ 4.03Å; Y43-F144 HydrophobicContact CG-CE1 4.31Å; V97-F144 HydrophobicContact CG1-CE1 4.26Å; V97-F144 HydrophobicContact CG2-CE1 3.71Å; V97-F144 HydrophobicContact CG2-CZ 3.93Å; L107-F144 HydrophobicContact CD2-CZ 4.44Å; A126-F144 WeakPolarHBondContact CA-O 3.49Å; F127-F144 HydrophobicContact CD1-CD2 4.12Å; F127-F144 PolarHBondContact N-O 2.85Å; F127-F144 VanDerWaalsContact N-O 3.13Å; F127-F144 PolarHBondContact O-N 3.36Å; Y129-F144 AromaticContact CD1-CE2 3.98Å; Y129-F144 HydrophobicContact CD1-CE2 3.98Å; Y129-F144 AromaticContact CE1-CE2 3.54Å; Y129-F144 HydrophobicContact CE1-CE2 3.54Å; Y129-F144 HydrophobicContact CE1-CZ 4.01Å; H142-F144 HydrophobicContact CB-CE2 3.77Å; H142-F144 HydrophobicContact CB-CZ 4.13Å
145M95.9Very high95Very high37 Ų3751.1 Ų51.118%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-130.4109.1172.5-169.965.740.700108.4V41 K42 L44 K66 R125 A126V41-M145 CarbonylContact C-O 3.54Å; V41-M145 WeakPolarHBondContact CA-O 3.06Å; K42-M145 HydrophobicContact CB-CB 4.27Å; K42-M145 PolarHBondContact N-O 3.09Å; K42-M145 PolarHBondContact O-N 3.4Å; L44-M145 HydrophobicContact CD1-CE 3.99Å; L44-M145 HydrophobicContact CD2-CB 4.25Å; L44-M145 HydrophobicContact CG-CB 4.5Å; K66-M145 VanDerWaalsContact CE-CE 3.44Å; R125-M145 HydrophobicContact CB-SD 4.09Å; R125-M145 CarbonylContact O-C 3.55Å; R125-M145 WeakPolarHBondContact O-CA 3.39Å; A126-M145 HydrophobicContact CB-CE 3.44Å; A126-M145 VanDerWaalsContact CB-CE 3.44Å; A126-M145 HydrophobicContact CB-SD 4.27Å
146A95.9Very high95.2Very high0 Ų048.4 Ų48.40%022%0.217CC..EExtended strand (participates in β ladder)trans-63.4139.4179.400000111.2R125 D149 L154R125-A146 PolarHBondContact NE-O 3.09Å; R125-A146 VanDerWaalsContact NE-O 3.15Å; R125-A146 PolarHBondContact NH2-O 2.95Å; R125-A146 PolarHBondContact O-N 2.65Å; A146-D149 HydrophobicContact CB-CB 4.26Å; A146-D149 WeakPolarHBondContact CB-O 3.33Å; A146-L154 HydrophobicContact CB-CD1 4.12Å; A146-L154 HydrophobicContact CB-CD2 4.26Å
147I94.3Very high95.5Very high57 Ų5745 Ų4529%0.29220%0.196SC..SBendtrans-90.3-39.7-174.4-64.8176.6000111.5A40 V41 R85 R125A40-I147 HydrophobicContact CB-CB 4.07Å; A40-I147 HydrophobicContact CB-CD1 4.39Å; A40-I147 VanDerWaalsContact O-CB 3.29Å; A40-I147 WeakPolarHBondContact O-CB 3.45Å; A40-I147 PolarHBondContact O-N 3.12Å; V41-I147 WeakPolarHBondContact O-CD1 3.37Å; R85-I147 HydrophobicContact CG-CD1 4.12Å; R125-I147 VanDerWaalsContact NH2-C 3.28Å; R125-I147 PolarHBondContact NH2-O 3.05Å
148K91.4Very high95.8Very high175 Ų17535.6 Ų35.676%0.76116%0.16SC*.SBendtrans-109.7-33.8177.9-63.5-178.1178.2-178.90112.8
149D93.5Very high95.8Very high19 Ų1931.1 Ų31.110%0.10215%0.153CC..SBendtrans-101.5170.4-165-46.2-85.4000113.4A146 R153 L154A146-D149 HydrophobicContact CB-CB 4.26Å; A146-D149 WeakPolarHBondContact CB-O 3.33Å; D149-R153 IonicContact OD1-CZ 3.27Å; D149-R153 IonicContact OD1-NH1 2.66Å; D149-R153 PolarHBondContact OD1-NH1 3.24Å; D149-L154 HydrophobicContact CB-CD1 3.89Å
150S94.8Very high95.8Very high7 Ų729.2 Ų29.25%0.04915%0.148CC..  trans-82.1154.2164.268.70000111.4E152 R153 L154S150-E152 PolarHBondContact O-N 2.78Å; S150-R153 PolarHBondContact O-N 3.04Å; S150-R153 PolarHBondContact OG-N 3.2Å; S150-L154 WeakPolarHBondContact O-CD1 3.39Å; S150-L154 PolarHBondContact O-N 2.94Å
151G94.8Very high95.8Very high0 Ų028.2 Ų28.20%014%0.143CC..Hα-helixtrans-65.9-25.6173.100000112.8E124 L154 S155E124-G151 PolarHBondContact O-N 3.32Å; G151-L154 PolarHBondContact O-N 2.95Å; G151-S155 WeakPolarHBondContact O-CB 3.31Å; G151-S155 PolarHBondContact O-N 2.85Å
152E95.3Very high95.7Very high120 Ų12030.2 Ų30.256%0.56115%0.152SC*.Hα-helixtrans-62.9-45.1173-60.2-179.4140.700111.5P119 S150 L154 S155 H156P119-E152 HydrophobicContact CB-CG 3.92Å; P119-E152 HydrophobicContact CG-CG 4.17Å; S150-E152 PolarHBondContact O-N 2.78Å; E152-L154 VanDerWaalsContact C-N 3.32Å; E152-L154 PolarHBondContact O-N 3.39Å; E152-S155 CarbonylContact O-C 3.49Å; E152-S155 PolarHBondContact O-N 2.66Å; E152-S155 VanDerWaalsContact O-N 3.13Å; E152-H156 PolarHBondContact O-N 2.84Å
153R95.1Very high95.6Very high30 Ų3032.4 Ų32.411%0.11317%0.172CC..Hα-helixtrans-60.2-42175.8-173.8-176.4177.5-161.51.5111.7Q24 D28 F39 D149 S150 H156 A157Q24-R153 VanDerWaalsContact CG-NH2 3.26Å; Q24-R153 VanDerWaalsContact OE1-NH1 3.13Å; D28-R153 IonicContact OD1-CZ 2.69Å; D28-R153 IonicContact OD1-NE 2.72Å; D28-R153 IonicContact OD1-NH2 3.15Å; D28-R153 PolarHBondContact OD1-NH2 3.05Å; D28-R153 IonicContact OD2-CZ 2.94Å; D28-R153 VanDerWaalsContact OD2-CZ 3.26Å; D28-R153 IonicContact OD2-NE 2.89Å; D28-R153 PolarHBondContact OD2-NE 3.16Å; D28-R153 IonicContact OD2-NH2 3.17Å; D28-R153 PolarHBondContact OD2-NH2 3.13Å; F39-R153 HydrophobicContact CE1-CG 4.03Å; F39-R153 HydrophobicContact CZ-CG 4.43Å; D149-R153 IonicContact OD1-CZ 3.27Å; D149-R153 IonicContact OD1-NH1 2.66Å; D149-R153 PolarHBondContact OD1-NH1 3.24Å; S150-R153 PolarHBondContact O-N 3.04Å; S150-R153 PolarHBondContact OG-N 3.2Å; R153-H156 PolarHBondContact O-N 3.38Å; R153-A157 PolarHBondContact O-N 3.33Å; R153-A157 VanDerWaalsContact O-N 3.09Å
154L96.2Very high95.5Very high0 Ų032.5 Ų32.50%017%0.173CC..Hα-helixtrans-63.3-43.8174.4-8766.5000111.1F39 V41 L88 F127 A146 D149 S150 G151 E152 H156 A157 V158F39-L154 HydrophobicContact CB-CD1 3.94Å; F39-L154 HydrophobicContact CB-CD2 4.38Å; F39-L154 HydrophobicContact CB-CG 4.11Å; F39-L154 HydrophobicContact CD1-CD1 3.55Å; F39-L154 HydrophobicContact CD1-CG 4.23Å; F39-L154 HydrophobicContact CD2-CD1 4.14Å; F39-L154 HydrophobicContact CD2-CG 3.88Å; F39-L154 HydrophobicContact CE1-CD1 4.07Å; F39-L154 HydrophobicContact CE2-CG 4.38Å; F39-L154 HydrophobicContact CG-CD1 3.59Å; F39-L154 HydrophobicContact CG-CG 3.79Å; V41-L154 HydrophobicContact CG1-CD2 3.77Å; L88-L154 HydrophobicContact CD2-CD2 4.11Å; F127-L154 HydrophobicContact CB-CB 4.06Å; F127-L154 HydrophobicContact CB-CD2 3.96Å; F127-L154 HydrophobicContact CD1-CB 3.99Å; F127-L154 HydrophobicContact CD1-CD2 3.97Å; F127-L154 HydrophobicContact CD2-CB 4.08Å; F127-L154 HydrophobicContact CG-CB 3.74Å; F127-L154 HydrophobicContact CG-CD2 4.13Å; A146-L154 HydrophobicContact CB-CD1 4.12Å; A146-L154 HydrophobicContact CB-CD2 4.26Å; D149-L154 HydrophobicContact CB-CD1 3.89Å; S150-L154 WeakPolarHBondContact O-CD1 3.39Å; S150-L154 PolarHBondContact O-N 2.94Å; G151-L154 PolarHBondContact O-N 2.95Å; E152-L154 VanDerWaalsContact C-N 3.32Å; E152-L154 PolarHBondContact O-N 3.39Å; L154-H156 VanDerWaalsContact C-N 3.33Å; L154-H156 PolarHBondContact O-N 3.19Å; L154-A157 PolarHBondContact O-N 2.76Å; L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 2.78Å
155S96.5Very high95.4Very high19 Ų1933.3 Ų33.313%0.13318%0.179CC..Hα-helixtrans-66.1-33.7178-1610000112.8G151 E152 G159G151-S155 WeakPolarHBondContact O-CB 3.31Å; G151-S155 PolarHBondContact O-N 2.85Å; E152-S155 CarbonylContact O-C 3.49Å; E152-S155 PolarHBondContact O-N 2.66Å; E152-S155 VanDerWaalsContact O-N 3.13Å; S155-G159 PolarHBondContact O-N 3.22Å
156H95.6Very high95.2Very high67 Ų6736.9 Ų36.931%0.3120%0.198SC..Hα-helixtrans-62.7-54.1172.1-177.3-89.8000110.6E152 R153 L154 V158 G159 C160E152-H156 PolarHBondContact O-N 2.84Å; R153-H156 PolarHBondContact O-N 3.38Å; L154-H156 VanDerWaalsContact C-N 3.33Å; L154-H156 PolarHBondContact O-N 3.19Å; H156-V158 VanDerWaalsContact C-N 3.31Å; H156-V158 PolarHBondContact O-N 3.31Å; H156-G159 CarbonylContact O-C 3.58Å; H156-G159 VanDerWaalsContact O-CA 3.29Å; H156-G159 WeakPolarHBondContact O-CA 3.42Å; H156-G159 PolarHBondContact O-N 2.89Å; H156-C160 PolarHBondContact CE1-SG 3.05Å; H156-C160 PolarHBondContact O-N 3.26Å; H156-C160 PolarHBondContact O-SG 3.03Å
157A96.8Very high95Very high0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-59.8-38.1-179.900000113.2V32 F39 V90 R153 L154 C160 A161V32-A157 HydrophobicContact CG2-CB 4.06Å; F39-A157 HydrophobicContact CE2-CB 3.59Å; F39-A157 HydrophobicContact CZ-CB 3.68Å; V90-A157 HydrophobicContact CG1-CB 4.4Å; V90-A157 WeakPolarHBondContact CG1-O 3.16Å; R153-A157 PolarHBondContact O-N 3.33Å; R153-A157 VanDerWaalsContact O-N 3.09Å; L154-A157 PolarHBondContact O-N 2.76Å; A157-C160 WeakPolarHBondContact O-CB 3.48Å; A157-C160 PolarHBondContact O-N 2.97Å; A157-A161 PolarHBondContact O-N 3.37Å
158V97.3Very high94.8Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-69.6-34.6173.3176.30000111.5V90 L95 I111 C117 F127 L154 H156 A161 F162V90-V158 HydrophobicContact CG1-CG2 3.98Å; V90-V158 HydrophobicContact CG2-CG2 4.07Å; L95-V158 HydrophobicContact CD1-CG1 4.11Å; L95-V158 HydrophobicContact CD1-CG2 4.29Å; L95-V158 HydrophobicContact CD2-CG1 4.31Å; L95-V158 HydrophobicContact CD2-CG2 3.84Å; I111-V158 HydrophobicContact CD1-CG1 4.45Å; C117-V158 HydrophobicContact CB-CG1 4.03Å; F127-V158 HydrophobicContact CE1-CG2 4.11Å; F127-V158 HydrophobicContact CZ-CB 4.08Å; F127-V158 HydrophobicContact CZ-CG1 4.33Å; F127-V158 HydrophobicContact CZ-CG2 3.74Å; L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 2.78Å; H156-V158 VanDerWaalsContact C-N 3.31Å; H156-V158 PolarHBondContact O-N 3.31Å; V158-A161 WeakPolarHBondContact O-CB 3.17Å; V158-A161 PolarHBondContact O-N 3.35Å; V158-F162 HydrophobicContact CG1-CD2 4.01Å; V158-F162 HydrophobicContact CG1-CE2 3.76Å; V158-F162 VanDerWaalsContact O-CD2 3.23Å; V158-F162 WeakPolarHBondContact O-CD2 3.41Å; V158-F162 PolarHBondContact O-N 2.96Å
159G96.3Very high94.6Very high31 Ų3140.8 Ų40.832%0.3221%0.211SC..Hα-helixtrans-58.8-43167.600000113.3S155 H156 A161 F162 A163S155-G159 PolarHBondContact O-N 3.22Å; H156-G159 CarbonylContact O-C 3.58Å; H156-G159 VanDerWaalsContact O-CA 3.29Å; H156-G159 WeakPolarHBondContact O-CA 3.42Å; H156-G159 PolarHBondContact O-N 2.89Å; G159-A161 VanDerWaalsContact C-N 3.31Å; G159-A161 PolarHBondContact O-N 2.84Å; G159-F162 WeakPolarHBondContact O-CB 3.46Å; G159-F162 PolarHBondContact O-N 2.76Å; G159-A163 PolarHBondContact O-N 3.4Å
160C96.3Very high94.5Very high17 Ų1744.9 Ų44.912%0.11523%0.23CC..Hα-helixtrans-61.2-39.7173.4-53.90000111.7E29 V32 H156 A157 A163 A164E29-C160 HydrophobicContact CG-CB 4.1Å; V32-C160 HydrophobicContact CB-CB 4.42Å; V32-C160 HydrophobicContact CG1-CB 4.27Å; H156-C160 PolarHBondContact CE1-SG 3.05Å; H156-C160 PolarHBondContact O-N 3.26Å; H156-C160 PolarHBondContact O-SG 3.03Å; A157-C160 WeakPolarHBondContact O-CB 3.48Å; A157-C160 PolarHBondContact O-N 2.97Å; C160-A163 PolarHBondContact O-N 3.11Å; C160-A164 VanDerWaalsContact O-CB 3.28Å; C160-A164 WeakPolarHBondContact O-CB 3.44Å; C160-A164 PolarHBondContact O-N 3.25Å
161A97.1Very high94.2Very high0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-64.6-43.2176.100000111.7V32 V90 S91 I111 A157 V158 G159 C165V32-A161 HydrophobicContact CG1-CB 3.74Å; V90-A161 HydrophobicContact CG1-CB 3.94Å; S91-A161 WeakPolarHBondContact O-CB 3.44Å; I111-A161 HydrophobicContact CD1-CB 4.29Å; A157-A161 PolarHBondContact O-N 3.37Å; V158-A161 WeakPolarHBondContact O-CB 3.17Å; V158-A161 PolarHBondContact O-N 3.35Å; G159-A161 VanDerWaalsContact C-N 3.31Å; G159-A161 PolarHBondContact O-N 2.84Å; A161-C165 VanDerWaalsContact O-CB 3.29Å; A161-C165 WeakPolarHBondContact O-CB 3.49Å; A161-C165 PolarHBondContact O-N 2.96Å
162F96.5Very high93.8Very high42 Ų4257.5 Ų57.518%0.18428%0.28CS..Hα-helixtrans-59.8-51.3173.2-80.8-58.8000112.3I111 V114 C117 V158 G159 A164 C165 L166I111-F162 HydrophobicContact CD1-CD1 3.87Å; I111-F162 HydrophobicContact CD1-CD2 4.46Å; I111-F162 HydrophobicContact CD1-CE1 3.77Å; I111-F162 HydrophobicContact CD1-CE2 4.38Å; I111-F162 HydrophobicContact CD1-CG 4.23Å; I111-F162 HydrophobicContact CD1-CZ 4.06Å; I111-F162 HydrophobicContact CG1-CD1 3.74Å; I111-F162 HydrophobicContact CG1-CE1 3.91Å; I111-F162 HydrophobicContact CG1-CG 4.36Å; V114-F162 HydrophobicContact CB-CE1 3.91Å; V114-F162 HydrophobicContact CB-CZ 3.61Å; V114-F162 HydrophobicContact CG1-CE1 4.38Å; V114-F162 HydrophobicContact CG1-CE2 4.41Å; V114-F162 HydrophobicContact CG1-CZ 3.58Å; V114-F162 VanDerWaalsContact O-CE1 3.27Å; V114-F162 WeakPolarHBondContact O-CE1 3.29Å; C117-F162 HydrophobicContact CB-CE2 4.2Å; V158-F162 HydrophobicContact CG1-CD2 4.01Å; V158-F162 HydrophobicContact CG1-CE2 3.76Å; V158-F162 VanDerWaalsContact O-CD2 3.23Å; V158-F162 WeakPolarHBondContact O-CD2 3.41Å; V158-F162 PolarHBondContact O-N 2.96Å; G159-F162 WeakPolarHBondContact O-CB 3.46Å; G159-F162 PolarHBondContact O-N 2.76Å; F162-A164 PolarHBondContact O-N 3.12Å; F162-C165 PolarHBondContact O-N 3.42Å; F162-L166 WeakPolarHBondContact O-CB 3.42Å; F162-L166 WeakPolarHBondContact O-CG 3.36Å; F162-L166 PolarHBondContact O-N 3.14Å
163A95.3Very high93.2Very high60 Ų6057.2 Ų57.250%0.49628%0.278SS..Hα-helixtrans-57.3-48.9179.600000111.1G159 C160 C165 L166 E167G159-A163 PolarHBondContact O-N 3.4Å; C160-A163 PolarHBondContact O-N 3.11Å; A163-C165 VanDerWaalsContact C-N 3.3Å; A163-C165 PolarHBondContact O-N 3.32Å; A163-L166 PolarHBondContact O-N 3.31Å; A163-E167 VanDerWaalsContact O-CB 3.27Å; A163-E167 WeakPolarHBondContact O-CB 3.49Å; A163-E167 PolarHBondContact O-N 3.24Å
164A94.1Very high92.7Very high2 Ų262.7 Ų62.72%0.01730%0.303CS..Hα-helixtrans-70.5-22.1-179.700000113.7A92 C160 F162 R168A92-A164 HydrophobicContact CB-CB 4.06Å; C160-A164 VanDerWaalsContact O-CB 3.28Å; C160-A164 WeakPolarHBondContact O-CB 3.44Å; C160-A164 PolarHBondContact O-N 3.25Å; F162-A164 PolarHBondContact O-N 3.12Å; A164-R168 VanDerWaalsContact O-CG 3.3Å; A164-R168 WeakPolarHBondContact O-CG 3.01Å; A164-R168 PolarHBondContact O-N 3.46Å; A164-R168 PolarHBondContact O-NH1 3.14Å
165C93.9Very high91.5Very high17 Ų1768.5 Ų68.512%0.11533%0.33CS..Hα-helixtrans-77.4-46.6170-1780000111.5I111 A161 F162 A163 E167 R168 K169I111-C165 HydrophobicContact CG2-CB 3.72Å; I111-C165 WeakPolarHBondContact CG2-SG 3.33Å; A161-C165 VanDerWaalsContact O-CB 3.29Å; A161-C165 WeakPolarHBondContact O-CB 3.49Å; A161-C165 PolarHBondContact O-N 2.96Å; F162-C165 PolarHBondContact O-N 3.42Å; A163-C165 VanDerWaalsContact C-N 3.3Å; A163-C165 PolarHBondContact O-N 3.32Å; C165-E167 VanDerWaalsContact C-N 3.33Å; C165-E167 PolarHBondContact O-N 3.45Å; C165-R168 PolarHBondContact O-N 3.4Å; C165-K169 WeakPolarHBondContact O-CB 3.39Å; C165-K169 PolarHBondContact O-N 3.06Å
166L91.5Very high89.8Confident112 Ų11270.3 Ų70.359%0.58634%0.342SS*.Hα-helixtrans-64.2-38.7178.7-70.9171.5000111.5F162 A163 K169 Q170F162-L166 WeakPolarHBondContact O-CB 3.42Å; F162-L166 WeakPolarHBondContact O-CG 3.36Å; F162-L166 PolarHBondContact O-N 3.14Å; A163-L166 PolarHBondContact O-N 3.31Å; L166-K169 PolarHBondContact O-N 3.49Å; L166-Q170 WeakPolarHBondContact O-CB 3.42Å; L166-Q170 PolarHBondContact O-N 3.49Å
167E92.1Very high88.1Confident115 Ų11568.7 Ų68.754%0.53734%0.343SS..Hα-helixtrans-58.5-54.1171.7-176.1-168.5177.900111.1A163 C165 K169 Q170 K171A163-E167 VanDerWaalsContact O-CB 3.27Å; A163-E167 WeakPolarHBondContact O-CB 3.49Å; A163-E167 PolarHBondContact O-N 3.24Å; C165-E167 VanDerWaalsContact C-N 3.33Å; C165-E167 PolarHBondContact O-N 3.45Å; E167-K169 VanDerWaalsContact C-N 3.3Å; E167-K169 PolarHBondContact O-N 3.02Å; E167-Q170 PolarHBondContact O-N 3.06Å; E167-K171 WeakPolarHBondContact O-CB 3.3Å; E167-K171 PolarHBondContact O-N 3.27Å
168R89.6Confident86.3Confident109 Ų10972 Ų7241%0.41136%0.363SS..Hα-helixtrans-59.6-38.9177.1-77.3179-17787.7-14.4112.4A92 A164 C165 R172A92-R168 VanDerWaalsContact CB-NH1 3.28Å; A164-R168 VanDerWaalsContact O-CG 3.3Å; A164-R168 WeakPolarHBondContact O-CG 3.01Å; A164-R168 PolarHBondContact O-N 3.46Å; A164-R168 PolarHBondContact O-NH1 3.14Å; C165-R168 PolarHBondContact O-N 3.4Å; R168-R172 WeakPolarHBondContact O-CB 3.28Å; R168-R172 PolarHBondContact O-N 3.14Å
169K88.9Confident84.7Confident89 Ų8976 Ų7639%0.38739%0.388SS..Hα-helixtrans-66.8-52.4177.4179176.1170.2178.40111.1C165 L166 E167 K171 R172 E173C165-K169 WeakPolarHBondContact O-CB 3.39Å; C165-K169 PolarHBondContact O-N 3.06Å; L166-K169 PolarHBondContact O-N 3.49Å; E167-K169 VanDerWaalsContact C-N 3.3Å; E167-K169 PolarHBondContact O-N 3.02Å; K169-K171 VanDerWaalsContact C-N 3.29Å; K169-K171 PolarHBondContact O-N 3.09Å; K169-R172 CarbonylContact O-C 3.5Å; K169-R172 WeakPolarHBondContact O-CB 3.3Å; K169-R172 PolarHBondContact O-N 3.37Å; K169-R172 VanDerWaalsContact O-N 3.11Å; K169-E173 VanDerWaalsContact CE-CD 3.46Å; K169-E173 WeakPolarHBondContact CE-OE1 3.43Å; K169-E173 HydrophobicContact CG-CG 4.46Å; K169-E173 IonicContact NZ-OE1 2.69Å; K169-E173 WeakPolarHBondContact O-CG 3.47Å; K169-E173 PolarHBondContact O-N 3.46Å
170Q90.2Very high83.3Confident105 Ų10576.4 Ų76.449%0.49139%0.388SS..Hα-helixtrans-64-36.3179.5-166.9-167.887.500111.4L166 E167 E173 K174L166-Q170 WeakPolarHBondContact O-CB 3.42Å; L166-Q170 PolarHBondContact O-N 3.49Å; E167-Q170 PolarHBondContact O-N 3.06Å; Q170-E173 PolarHBondContact O-N 2.77Å; Q170-K174 HydrophobicContact CG-CD 4.22Å; Q170-K174 WeakPolarHBondContact O-CB 3.37Å; Q170-K174 VanDerWaalsContact O-CG 3.3Å; Q170-K174 WeakPolarHBondContact O-CG 3.37Å; Q170-K174 PolarHBondContact O-N 3.32Å
171K89.7Confident82.1Confident114 Ų11478.5 Ų78.550%0.49640%0.401SS..Hα-helixtrans-60.4-48171.4-177.8171.1-178174.90111E167 K169 E173 K174 E175E167-K171 WeakPolarHBondContact O-CB 3.3Å; E167-K171 PolarHBondContact O-N 3.27Å; K169-K171 VanDerWaalsContact C-N 3.29Å; K169-K171 PolarHBondContact O-N 3.09Å; K171-E173 VanDerWaalsContact C-N 3.34Å; K171-E173 PolarHBondContact O-N 3.33Å; K171-K174 PolarHBondContact O-N 2.84Å; K171-E175 WeakPolarHBondContact CE-OE1 3.34Å; K171-E175 WeakPolarHBondContact CE-OE2 3.49Å; K171-E175 HydrophobicContact CG-CG 4.27Å; K171-E175 WeakPolarHBondContact CG-OE2 3.43Å; K171-E175 IonicContact NZ-OE1 3.75Å; K171-E175 WeakPolarHBondContact O-CB 3.29Å; K171-E175 WeakPolarHBondContact O-CG 3.44Å; K171-E175 PolarHBondContact O-N 3.06Å
172R86.3Confident81Confident159 Ų15984.9 Ų84.960%0.643%0.429SS*.Hα-helixtrans-60.8-39.6174.3-170.3-168.3-62.1156.91.4112.3R168 K169 K174 C176R168-R172 WeakPolarHBondContact O-CB 3.28Å; R168-R172 PolarHBondContact O-N 3.14Å; K169-R172 CarbonylContact O-C 3.5Å; K169-R172 WeakPolarHBondContact O-CB 3.3Å; K169-R172 PolarHBondContact O-N 3.37Å; K169-R172 VanDerWaalsContact O-N 3.11Å; R172-K174 VanDerWaalsContact C-N 3.34Å; R172-C176 WeakPolarHBondContact O-CA 3.23Å; R172-C176 WeakPolarHBondContact O-CB 3.42Å; R172-C176 PolarHBondContact O-N 2.92Å
173E82.6Confident79.9Confident114 Ų11485.1 Ų85.153%0.53343%0.432SS..Hα-helixtrans-70.6-29178.3-72.3171.1158.100112.5K169 Q170 K171 G177K169-E173 VanDerWaalsContact CE-CD 3.46Å; K169-E173 WeakPolarHBondContact CE-OE1 3.43Å; K169-E173 HydrophobicContact CG-CG 4.46Å; K169-E173 IonicContact NZ-OE1 2.69Å; K169-E173 WeakPolarHBondContact O-CG 3.47Å; K169-E173 PolarHBondContact O-N 3.46Å; Q170-E173 PolarHBondContact O-N 2.77Å; K171-E173 VanDerWaalsContact C-N 3.34Å; K171-E173 PolarHBondContact O-N 3.33Å; E173-G177 WeakPolarHBondContact O-CA 3.29Å; E173-G177 PolarHBondContact O-N 2.94Å
174K83.1Confident79.1Confident144 Ų14485.5 Ų85.563%0.62644%0.435SS*.Hα-helixtrans-77.5-45.5172-73.8168.4170175.50112.8Q170 K171 R172Q170-K174 HydrophobicContact CG-CD 4.22Å; Q170-K174 WeakPolarHBondContact O-CB 3.37Å; Q170-K174 VanDerWaalsContact O-CG 3.3Å; Q170-K174 WeakPolarHBondContact O-CG 3.37Å; Q170-K174 PolarHBondContact O-N 3.32Å; K171-K174 PolarHBondContact O-N 2.84Å; R172-K174 VanDerWaalsContact C-N 3.34Å
175E72.3Confident78.4Confident123 Ų12393 Ų9358%0.57548%0.475SS*.Hα-helixtrans-82.3-22.4-176.4-66.9178.6155.500113.8K171K171-E175 WeakPolarHBondContact CE-OE1 3.34Å; K171-E175 WeakPolarHBondContact CE-OE2 3.49Å; K171-E175 HydrophobicContact CG-CG 4.27Å; K171-E175 WeakPolarHBondContact CG-OE2 3.43Å; K171-E175 IonicContact NZ-OE1 3.75Å; K171-E175 WeakPolarHBondContact O-CB 3.29Å; K171-E175 WeakPolarHBondContact O-CG 3.44Å; K171-E175 PolarHBondContact O-N 3.06Å
176C59.8Low77.6Confident57 Ų5799.1 Ų99.139%0.38550%0.496SS..SBendtrans-105.69.9171.7-152.90000111.8R172 V178R172-C176 WeakPolarHBondContact O-CA 3.23Å; R172-C176 WeakPolarHBondContact O-CB 3.42Å; R172-C176 PolarHBondContact O-N 2.92Å; C176-V178 PolarHBondContact O-N 3.19Å; C176-V178 VanDerWaalsContact O-N 3.11Å
177G60.6Low77Confident33 Ų3399.3 Ų99.334%0.3450%0.502SS..  trans-61.6111.3166.100000108.4E173 T179E173-G177 WeakPolarHBondContact O-CA 3.29Å; E173-G177 PolarHBondContact O-N 2.94Å; G177-T179 PolarHBondContact O-N 3.42Å
178V60Low76Confident68 Ų6897.1 Ų97.141%0.41250%0.496SS..  trans-76.184.8176.1178.80000107.9C176 R191C176-V178 PolarHBondContact O-N 3.19Å; C176-V178 VanDerWaalsContact O-N 3.11Å; V178-R191 HydrophobicContact CG1-CG 3.52Å
179T63Low75.2Confident84 Ų8498.3 Ų98.352%0.51550%0.504SS..  trans-64.7132.7161.926.80000108.8G177 R191 E192G177-T179 PolarHBondContact O-N 3.42Å; T179-R191 CarbonylContact O-C 3.44Å; T179-E192 PolarHBondContact O-N 3.39Å; T179-E192 VanDerWaalsContact O-O 3.09Å; T179-E192 PolarHBondContact OG1-O 2.86Å
180A65.9Low74.5Confident40 Ų4096.6 Ų96.633%0.33150%0.501SS..  trans-136.3106.917700000107.3F189 T190 R191A180-F189 HydrophobicContact CB-CD1 4.08Å; A180-F189 HydrophobicContact CB-CE1 3.37Å; A180-F189 HydrophobicContact CB-CE2 3.98Å; A180-F189 HydrophobicContact CB-CZ 3.31Å; A180-F189 VanDerWaalsContact O-CE2 3.29Å; A180-F189 WeakPolarHBondContact O-CE2 3.14Å; A180-T190 CarbonylContact C-O 3.56Å; A180-T190 VanDerWaalsContact CA-O 3.25Å; A180-T190 WeakPolarHBondContact CA-O 3.41Å; A180-R191 HydrophobicContact CB-CG 4.1Å
181T70.8Confident73.4Confident62 Ų6297.8 Ų97.838%0.3850%0.502SS..EExtended strand (participates in β ladder)trans-100138.1-171.843.40000109.7F189 T190 E192T181-F189 CarbonylContact O-C 3.57Å; T181-F189 WeakPolarHBondContact O-CA 3.16Å; T181-F189 WeakPolarHBondContact O-CD2 2.79Å; T181-T190 PolarHBondContact N-O 2.7Å; T181-T190 PolarHBondContact O-N 2.95Å; T181-T190 PolarHBondContact O-OG1 3.23Å; T181-T190 PolarHBondContact OG1-O 2.71Å; T181-T190 PolarHBondContact OG1-OG1 2.83Å; T181-E192 WeakPolarHBondContact CB-OE1 3.31Å; T181-E192 WeakPolarHBondContact CG2-OE1 3.42Å; T181-E192 PolarHBondContact OG1-OE1 2.86Å; T181-E192 PolarHBondContact OG1-OE2 3.3Å
182F74.9Confident72.4Confident133 Ų13396.5 Ų96.558%0.58350%0.497SS*.EExtended strand (participates in β ladder)trans-93.4109.5172.3-178.9-104.8000109.1A184 F189F182-A184 HydrophobicContact CD1-CB 4.37Å; F182-A184 HydrophobicContact CE1-CB 4.14Å; F182-A184 PolarHBondContact O-N 3.48Å; F182-F189 HydrophobicContact CB-CD2 4.12Å; F182-F189 HydrophobicContact CB-CE2 4.49Å
183D73.6Confident71.3Confident47 Ų4790.3 Ų90.325%0.25148%0.482SS..EExtended strand (participates in β ladder)trans-78.5101.8170.9-177.7-14.7000108.5N185 R186 T187 T188D183-N185 PolarHBondContact O-N 3.11Å; D183-N185 WeakPolarHBondContact OD1-CA 3.47Å; D183-N185 WeakPolarHBondContact OD1-CB 3.32Å; D183-N185 PolarHBondContact OD1-N 2.83Å; D183-R186 HydrophobicContact CB-CB 4.24Å; D183-R186 CarbonylContact O-C 3.54Å; D183-R186 PolarHBondContact O-N 2.97Å; D183-R186 PolarHBondContact OD1-N 2.83Å; D183-R186 VanDerWaalsContact OD1-N 3.17Å; D183-R186 VanDerWaalsContact OD2-CD 3.25Å; D183-R186 WeakPolarHBondContact OD2-CD 3.3Å; D183-R186 WeakPolarHBondContact OD2-CG 3.44Å; D183-T187 WeakPolarHBondContact O-CA 3.3Å; D183-T187 PolarHBondContact O-N 2.79Å; D183-T188 HydrophobicContact CB-CG2 4.34Å; D183-T188 PolarHBondContact N-O 2.72Å; D183-T188 PolarHBondContact O-N 3.41Å
184A78.8Confident70.3Confident68 Ų6888.9 Ų88.956%0.56249%0.485SS*.THydrogen-bonded Turntrans-63-25.2178.400000113.5F182F182-A184 HydrophobicContact CD1-CB 4.37Å; F182-A184 HydrophobicContact CE1-CB 4.14Å; F182-A184 PolarHBondContact O-N 3.48Å
185N79.7Confident68.7Low160 Ų16089.2 Ų89.286%0.85649%0.487SS*.THydrogen-bonded Turntrans-81.3-24.3179.6-63.3-7.4000112D183D183-N185 PolarHBondContact O-N 3.11Å; D183-N185 WeakPolarHBondContact OD1-CA 3.47Å; D183-N185 WeakPolarHBondContact OD1-CB 3.32Å; D183-N185 PolarHBondContact OD1-N 2.83Å
186R76.5Confident68.1Low146 Ų14694.4 Ų94.455%0.55150%0.501SS*.THydrogen-bonded Turntrans-107.9-0.9175.8-72.9175.6156.7175-24.5113.7D183 T188 E205D183-R186 HydrophobicContact CB-CB 4.24Å; D183-R186 CarbonylContact O-C 3.54Å; D183-R186 PolarHBondContact O-N 2.97Å; D183-R186 PolarHBondContact OD1-N 2.83Å; D183-R186 VanDerWaalsContact OD1-N 3.17Å; D183-R186 VanDerWaalsContact OD2-CD 3.25Å; D183-R186 WeakPolarHBondContact OD2-CD 3.3Å; D183-R186 WeakPolarHBondContact OD2-CG 3.44Å; R186-T188 HydrophobicContact CB-CG2 3.69Å; R186-T188 PolarHBondContact O-N 3.39Å; R186-T188 VanDerWaalsContact O-N 3.11Å; R186-E205 IonicContact CZ-OE1 3.89Å; R186-E205 IonicContact NH2-OE1 2.93Å; R186-E205 PolarHBondContact NH2-OE1 3.3Å
187T78.6Confident67.5Low116 Ų11697.4 Ų97.471%0.71252%0.518SS*.THydrogen-bonded Turntrans50.428.7-174.659.30000114.5D183D183-T187 WeakPolarHBondContact O-CA 3.3Å; D183-T187 PolarHBondContact O-N 2.79Å
188T71.6Confident67.1Low68 Ų68100 Ų10042%0.41753%0.527SS..EExtended strand (participates in β ladder)trans-125.4160.7-169-1640000112.2D183 R186D183-T188 HydrophobicContact CB-CG2 4.34Å; D183-T188 PolarHBondContact N-O 2.72Å; D183-T188 PolarHBondContact O-N 3.41Å; R186-T188 HydrophobicContact CB-CG2 3.69Å; R186-T188 PolarHBondContact O-N 3.39Å; R186-T188 VanDerWaalsContact O-N 3.11Å
189F73.4Confident67.2Low134 Ų134100.5 Ų100.559%0.58853%0.53SS*.EExtended strand (participates in β ladder)trans-110.192.8-175.1-158.1-130.3000110.2A180 T181 F182A180-F189 HydrophobicContact CB-CD1 4.08Å; A180-F189 HydrophobicContact CB-CE1 3.37Å; A180-F189 HydrophobicContact CB-CE2 3.98Å; A180-F189 HydrophobicContact CB-CZ 3.31Å; A180-F189 VanDerWaalsContact O-CE2 3.29Å; A180-F189 WeakPolarHBondContact O-CE2 3.14Å; T181-F189 CarbonylContact O-C 3.57Å; T181-F189 WeakPolarHBondContact O-CA 3.16Å; T181-F189 WeakPolarHBondContact O-CD2 2.79Å; F182-F189 HydrophobicContact CB-CD2 4.12Å; F182-F189 HydrophobicContact CB-CE2 4.49Å
190T72.6Confident66.9Low53 Ų53100.7 Ų100.733%0.32554%0.54SS..EExtended strand (participates in β ladder)trans-73.6133176.334.70000110.1A180 T181A180-T190 CarbonylContact C-O 3.56Å; A180-T190 VanDerWaalsContact CA-O 3.25Å; A180-T190 WeakPolarHBondContact CA-O 3.41Å; T181-T190 PolarHBondContact N-O 2.7Å; T181-T190 PolarHBondContact O-N 2.95Å; T181-T190 PolarHBondContact O-OG1 3.23Å; T181-T190 PolarHBondContact OG1-O 2.71Å; T181-T190 PolarHBondContact OG1-OG1 2.83Å
191R67.4Low66.8Low131 Ų131103.9 Ų103.949%0.49456%0.556SS.*  trans-122.365.3-172.5-162.7-164.5110.8141.46112.7V178 T179 A180 G193V178-R191 HydrophobicContact CG1-CG 3.52Å; T179-R191 CarbonylContact O-C 3.44Å; A180-R191 HydrophobicContact CB-CG 4.1Å; R191-G193 PolarHBondContact O-N 3.32Å; R191-G193 VanDerWaalsContact O-N 3.14Å
192E68.3Low66.4Low87 Ų87106 Ų10641%0.40756%0.561SS.*  trans-64.3106.917154.4-72.5165.900112.3T179 T181T179-E192 PolarHBondContact O-N 3.39Å; T179-E192 VanDerWaalsContact O-O 3.09Å; T179-E192 PolarHBondContact OG1-O 2.86Å; T181-E192 WeakPolarHBondContact CB-OE1 3.31Å; T181-E192 WeakPolarHBondContact CG2-OE1 3.42Å; T181-E192 PolarHBondContact OG1-OE1 2.86Å; T181-E192 PolarHBondContact OG1-OE2 3.3Å
193G63.4Low65.8Low28 Ų28102 Ų10229%0.28955%0.553SS.*SBendtrans172.2130.1174.400000112.6R191 F195R191-G193 PolarHBondContact O-N 3.32Å; R191-G193 VanDerWaalsContact O-N 3.14Å; G193-F195 PolarHBondContact O-N 3.49Å
194S62.8Low65.6Low84 Ų84102.2 Ų102.259%0.58756%0.561SS**SBendtrans-77.473.8-166.11800000115
195F47.7Very low65.2Low152 Ų152103.6 Ų103.667%0.66756%0.556SS**SBendtrans-120.7103.9148.4-154.1-89.1000108.8G193 V197G193-F195 PolarHBondContact O-N 3.49Å; F195-V197 PolarHBondContact O-N 3.19Å
196R60Low64.7Low231 Ų231105 Ų10587%0.87255%0.549SS*.  trans-70.594.6-166-73.1-171.5176.7-143.90.3113.3
197V47.5Very low64.4Low121 Ų121104.5 Ų104.573%0.73355%0.553SS**  trans-128.1102.4136.3-179.20000106.1F195 T199F195-V197 PolarHBondContact O-N 3.19Å; V197-T199 PolarHBondContact O-N 3.36Å
198T53.3Low64.3Low87 Ų87102.4 Ų102.453%0.53454%0.536SS..  trans-59.6125.916444.70000107.2E202T198-E202 WeakPolarHBondContact CA-OE2 3.49Å
199T60.9Low64.4Low78 Ų78103.1 Ų103.148%0.47954%0.54SS..  trans-66.3152.6177.559.80000109.7V197 T201 E202 A203V197-T199 PolarHBondContact O-N 3.36Å; T199-T201 PolarHBondContact O-N 2.93Å; T199-T201 VanDerWaalsContact O-N 3.14Å; T199-E202 PolarHBondContact N-OE2 2.92Å; T199-E202 PolarHBondContact O-N 3.43Å; T199-E202 PolarHBondContact OG1-N 3.48Å; T199-A203 PolarHBondContact O-N 3.28Å; T199-A203 VanDerWaalsContact O-N 3.14Å
200A57.6Low64.3Low88 Ų88101.8 Ų101.873%0.72754%0.536SS*.Hα-helixtrans-57.1-32.6-17900000112A204A200-A204 WeakPolarHBondContact O-CB 3.38Å; A200-A204 PolarHBondContact O-N 3.22Å
201T63.7Low64.4Low108 Ų108104.7 Ų104.766%0.66354%0.541SS*.Hα-helixtrans-65.5-43.5175.3-25.40000112.9T199 A203 A204 E205T199-T201 PolarHBondContact O-N 2.93Å; T199-T201 VanDerWaalsContact O-N 3.14Å; T201-A203 VanDerWaalsContact C-N 3.35Å; T201-A204 PolarHBondContact O-N 3.06Å; T201-E205 PolarHBondContact O-N 2.85Å
202E62.3Low64.6Low106 Ų106104 Ų10450%0.49554%0.544SS..Hα-helixtrans-65.8-38178-173-164.3163.300111.6T198 T199 R206T198-E202 WeakPolarHBondContact CA-OE2 3.49Å; T199-E202 PolarHBondContact N-OE2 2.92Å; T199-E202 PolarHBondContact O-N 3.43Å; T199-E202 PolarHBondContact OG1-N 3.48Å; E202-R206 WeakPolarHBondContact O-CB 3.3Å; E202-R206 PolarHBondContact O-N 2.99Å; E202-R206 VanDerWaalsContact O-N 3.15Å
203A62.2Low64.7Low49 Ų49106.1 Ų106.141%0.40556%0.557SS.*Hα-helixtrans-64.7-43172.700000111.6T199 T201 R206 E207T199-A203 PolarHBondContact O-N 3.28Å; T199-A203 VanDerWaalsContact O-N 3.14Å; T201-A203 VanDerWaalsContact C-N 3.35Å; A203-R206 PolarHBondContact O-N 2.95Å; A203-E207 PolarHBondContact O-N 3.44Å
204A69.1Low65Low52 Ų52110.4 Ų110.443%0.4357%0.57SS.*Hα-helixtrans-66.5-44.417800000112.9A200 T201 R206 E207 E208A200-A204 WeakPolarHBondContact O-CB 3.38Å; A200-A204 PolarHBondContact O-N 3.22Å; T201-A204 PolarHBondContact O-N 3.06Å; A204-R206 VanDerWaalsContact C-N 3.27Å; A204-R206 PolarHBondContact O-N 2.98Å; A204-E207 PolarHBondContact O-N 3.31Å; A204-E207 VanDerWaalsContact O-N 3.15Å; A204-E208 WeakPolarHBondContact O-CB 3.45Å; A204-E208 PolarHBondContact O-N 3.37Å
205E70.5Confident65.3Low96 Ų96110.6 Ų110.645%0.44956%0.564SS.*Hα-helixtrans-61.4-37.2175.5-172.6177.1-176.800111R186 T201 E208 V209R186-E205 IonicContact CZ-OE1 3.89Å; R186-E205 IonicContact NH2-OE1 2.93Å; R186-E205 PolarHBondContact NH2-OE1 3.3Å; T201-E205 PolarHBondContact O-N 2.85Å; E205-E208 WeakPolarHBondContact O-CB 3.4Å; E205-E208 PolarHBondContact O-N 3.09Å; E205-V209 WeakPolarHBondContact O-CB 3.47Å; E205-V209 VanDerWaalsContact O-CG2 3.3Å; E205-V209 WeakPolarHBondContact O-CG2 3.32Å; E205-V209 PolarHBondContact O-N 3.41Å
206R69.3Low66.1Low189 Ų189106.2 Ų106.271%0.71356%0.556SS**Hα-helixtrans-67.2-34.7175.4-168.6179.6-176.588.86.7113.1E202 A203 A204 M210E202-R206 WeakPolarHBondContact O-CB 3.3Å; E202-R206 PolarHBondContact O-N 2.99Å; E202-R206 VanDerWaalsContact O-N 3.15Å; A203-R206 PolarHBondContact O-N 2.95Å; A204-R206 VanDerWaalsContact C-N 3.27Å; A204-R206 PolarHBondContact O-N 2.98Å; R206-M210 WeakPolarHBondContact O-CB 3.39Å; R206-M210 PolarHBondContact O-N 3.18Å
207E71.3Confident66.1Low136 Ų136102.5 Ų102.564%0.63655%0.546SS*.Hα-helixtrans-72.7-40.9174.1-171.1172.516900111.5A203 A204 M210 R211A203-E207 PolarHBondContact O-N 3.44Å; A204-E207 PolarHBondContact O-N 3.31Å; A204-E207 VanDerWaalsContact O-N 3.15Å; E207-M210 PolarHBondContact O-N 2.96Å; E207-R211 WeakPolarHBondContact O-CB 3.13Å; E207-R211 PolarHBondContact O-N 3.39Å
208E74.8Confident66.5Low73 Ų73104 Ų10434%0.34154%0.543SS..Hα-helixtrans-57.1-52.3174.3-167.262.5-144.600111.8A204 E205 M210 R211 Q212A204-E208 WeakPolarHBondContact O-CB 3.45Å; A204-E208 PolarHBondContact O-N 3.37Å; E205-E208 WeakPolarHBondContact O-CB 3.4Å; E205-E208 PolarHBondContact O-N 3.09Å; E208-M210 VanDerWaalsContact C-N 3.33Å; E208-M210 PolarHBondContact O-N 3.47Å; E208-R211 WeakPolarHBondContact O-CB 2.8Å; E208-R211 PolarHBondContact O-N 3.46Å; E208-R211 IonicContact OE1-CZ 3.76Å; E208-R211 IonicContact OE1-NH1 3.86Å; E208-R211 IonicContact OE1-NH2 3.67Å; E208-R211 PolarHBondContact OE1-NH2 2.82Å; E208-R211 IonicContact OE2-CZ 2.65Å; E208-R211 IonicContact OE2-NH1 3.26Å; E208-R211 PolarHBondContact OE2-NH1 2.92Å; E208-R211 IonicContact OE2-NH2 2.72Å; E208-R211 PolarHBondContact OE2-NH2 3.13Å; E208-Q212 WeakPolarHBondContact O-CG 3.42Å; E208-Q212 PolarHBondContact O-N 2.89Å; E208-Q212 PolarHBondContact OE1-NE2 3.32Å
209V75.1Confident66.4Low83 Ų83103.6 Ų103.650%0.50355%0.549SS..Hα-helixtrans-63.9-37.6177.6170.40000111.6E205 R211 L213E205-V209 WeakPolarHBondContact O-CB 3.47Å; E205-V209 VanDerWaalsContact O-CG2 3.3Å; E205-V209 WeakPolarHBondContact O-CG2 3.32Å; E205-V209 PolarHBondContact O-N 3.41Å; V209-R211 VanDerWaalsContact C-N 3.32Å; V209-R211 PolarHBondContact O-N 3.4Å; V209-L213 WeakPolarHBondContact O-CB 3.49Å; V209-L213 PolarHBondContact O-N 3.33Å; V209-L213 VanDerWaalsContact O-N 3.1Å
210M70.9Confident65.8Low105 Ų105107.9 Ų107.952%0.51756%0.563SS.*Hα-helixtrans-68-33.6176.4-164.6-175.8-55.300112.2R206 E207 E208 Q214R206-M210 WeakPolarHBondContact O-CB 3.39Å; R206-M210 PolarHBondContact O-N 3.18Å; E207-M210 PolarHBondContact O-N 2.96Å; E208-M210 VanDerWaalsContact C-N 3.33Å; E208-M210 PolarHBondContact O-N 3.47Å; M210-Q214 WeakPolarHBondContact O-CG 3.41Å; M210-Q214 PolarHBondContact O-N 2.75Å
211R74Confident65.3Low114 Ų114108.4 Ų108.443%0.4356%0.558SS.*Hα-helixtrans-70.2-49176.2-163.8168.275.4-107.91.8111.3E207 E208 V209 L213 Q214 D215E207-R211 WeakPolarHBondContact O-CB 3.13Å; E207-R211 PolarHBondContact O-N 3.39Å; E208-R211 WeakPolarHBondContact O-CB 2.8Å; E208-R211 PolarHBondContact O-N 3.46Å; E208-R211 IonicContact OE1-CZ 3.76Å; E208-R211 IonicContact OE1-NH1 3.86Å; E208-R211 IonicContact OE1-NH2 3.67Å; E208-R211 PolarHBondContact OE1-NH2 2.82Å; E208-R211 IonicContact OE2-CZ 2.65Å; E208-R211 IonicContact OE2-NH1 3.26Å; E208-R211 PolarHBondContact OE2-NH1 2.92Å; E208-R211 IonicContact OE2-NH2 2.72Å; E208-R211 PolarHBondContact OE2-NH2 3.13Å; V209-R211 VanDerWaalsContact C-N 3.32Å; V209-R211 PolarHBondContact O-N 3.4Å; R211-L213 VanDerWaalsContact C-N 3.27Å; R211-L213 PolarHBondContact O-N 3.41Å; R211-Q214 WeakPolarHBondContact O-CA 3.36Å; R211-Q214 WeakPolarHBondContact O-CB 3.25Å; R211-Q214 PolarHBondContact O-N 3.03Å; R211-D215 PolarHBondContact O-N 3.23Å
212Q71.5Confident64.3Low117 Ų117112 Ų11255%0.54757%0.567SS.*Hα-helixtrans-57.2-38.9175.8-69.1177.520.100112.5E208 Q214 D215 A216E208-Q212 WeakPolarHBondContact O-CG 3.42Å; E208-Q212 PolarHBondContact O-N 2.89Å; E208-Q212 PolarHBondContact OE1-NE2 3.32Å; Q212-Q214 VanDerWaalsContact C-N 3.31Å; Q212-Q214 PolarHBondContact O-N 3.08Å; Q212-D215 PolarHBondContact O-N 3.17Å; Q212-A216 WeakPolarHBondContact O-CB 3.4Å; Q212-A216 PolarHBondContact O-N 3.18Å
213L71Confident63.8Low131 Ų131114.7 Ų114.769%0.68658%0.584SS**Hα-helixtrans-70.4-24.1176.7-164.267.3000113.4V209 R211V209-L213 WeakPolarHBondContact O-CB 3.49Å; V209-L213 PolarHBondContact O-N 3.33Å; V209-L213 VanDerWaalsContact O-N 3.1Å; R211-L213 VanDerWaalsContact C-N 3.27Å; R211-L213 PolarHBondContact O-N 3.41Å
214Q70.6Confident62.7Low118 Ų118119.1 Ų119.155%0.55160%0.6SS**Hα-helixtrans-80.8-40172.6-72175.840.100112M210 R211 Q212 K217 K218M210-Q214 WeakPolarHBondContact O-CG 3.41Å; M210-Q214 PolarHBondContact O-N 2.75Å; R211-Q214 WeakPolarHBondContact O-CA 3.36Å; R211-Q214 WeakPolarHBondContact O-CB 3.25Å; R211-Q214 PolarHBondContact O-N 3.03Å; Q212-Q214 VanDerWaalsContact C-N 3.31Å; Q212-Q214 PolarHBondContact O-N 3.08Å; Q214-K217 PolarHBondContact O-N 3.14Å; Q214-K218 PolarHBondContact O-N 3.41Å; Q214-K218 VanDerWaalsContact O-N 3.09Å
215D67.4Low61.2Low88 Ų88123.1 Ų123.147%0.47162%0.619SS.*Hα-helixtrans-69.9-39.7179-68.8-36.6000111.9R211 Q212 K217 K218 A219R211-D215 PolarHBondContact O-N 3.23Å; Q212-D215 PolarHBondContact O-N 3.17Å; D215-K217 VanDerWaalsContact C-N 3.27Å; D215-K217 PolarHBondContact O-N 3.5Å; D215-K218 WeakPolarHBondContact O-CB 3.4Å; D215-K218 PolarHBondContact O-N 3.22Å; D215-K218 VanDerWaalsContact O-N 3.1Å; D215-A219 PolarHBondContact O-N 2.99Å; D215-A219 VanDerWaalsContact O-N 3.12Å
216A64.3Low59.5Low60 Ų60125.2 Ų125.250%0.49664%0.639SS.*Hα-helixtrans-56.5-41.9170.400000111.9Q212 K218 A219Q212-A216 WeakPolarHBondContact O-CB 3.4Å; Q212-A216 PolarHBondContact O-N 3.18Å; A216-K218 VanDerWaalsContact C-N 3.31Å; A216-K218 PolarHBondContact O-N 3.08Å; A216-A219 PolarHBondContact O-N 3.13Å
217K61Low57.7Low154 Ų154119.3 Ų119.367%0.6764%0.636SS**Hα-helixtrans-70.6-23.8178.4-170166.1-175.8171.30113.5Q214 D215 T221Q214-K217 PolarHBondContact O-N 3.14Å; D215-K217 VanDerWaalsContact C-N 3.27Å; D215-K217 PolarHBondContact O-N 3.5Å; K217-T221 PolarHBondContact O-OG1 2.84Å
218K56.1Low55.8Low152 Ų152120.9 Ų120.966%0.66165%0.649SS**Hα-helixtrans-72.5-40.9169.6-79.2-173.6170-174.80112.1Q214 D215 A216 E220 T221Q214-K218 PolarHBondContact O-N 3.41Å; Q214-K218 VanDerWaalsContact O-N 3.09Å; D215-K218 WeakPolarHBondContact O-CB 3.4Å; D215-K218 PolarHBondContact O-N 3.22Å; D215-K218 VanDerWaalsContact O-N 3.1Å; A216-K218 VanDerWaalsContact C-N 3.31Å; A216-K218 PolarHBondContact O-N 3.08Å; K218-E220 VanDerWaalsContact C-N 3.28Å; K218-E220 PolarHBondContact O-N 3.13Å; K218-T221 WeakPolarHBondContact O-CB 3.2Å; K218-T221 PolarHBondContact O-N 3.45Å
219A50.3Low53.8Low79 Ų79123 Ų12365%0.65367%0.672SS**Hα-helixtrans-59.4-35.3-178.200000113.3D215 A216 T221D215-A219 PolarHBondContact O-N 2.99Å; D215-A219 VanDerWaalsContact O-N 3.12Å; A216-A219 PolarHBondContact O-N 3.13Å; A219-T221 VanDerWaalsContact C-N 3.28Å; A219-T221 PolarHBondContact O-N 3.32Å
220E48.7Very low51.8Low167 Ų167123.2 Ų123.278%0.7868%0.682SS**THydrogen-bonded Turntrans-72.8-15.1175.7-65.9-171.1119.200114.2K218K218-E220 VanDerWaalsContact C-N 3.28Å; K218-E220 PolarHBondContact O-N 3.13Å
221T47.6Very low50Low100 Ų100125.5 Ų125.561%0.61370%0.696SS**THydrogen-bonded Turntrans-87.9-19.7-168.2-580000114K217 K218 A219K217-T221 PolarHBondContact O-OG1 2.84Å; K218-T221 WeakPolarHBondContact O-CB 3.2Å; K218-T221 PolarHBondContact O-N 3.45Å; A219-T221 VanDerWaalsContact C-N 3.28Å; A219-T221 PolarHBondContact O-N 3.32Å
222E43.3Very low47.8Very low182 Ų182126.9 Ų126.985%0.8571%0.712SS**SBendtrans-88.6-12.6-176.5-69.3-154.4130.400115.4N224E222-N224 PolarHBondContact O-N 3.22Å
223L51.1Low45.8Very low163 Ų163126.7 Ų126.785%0.85372%0.719SS**SBendtrans-91.76.4-167.4-150110.5000116.1
224N39.5Very low43.8Very low142 Ų142126.6 Ų126.676%0.75972%0.724SS**  trans-15280.1-179-145.9-11.7000115.5E222E222-N224 PolarHBondContact O-N 3.22Å
225V37.9Very low41.9Very low136 Ų136127.7 Ų127.782%0.82473%0.734SS**  trans-13169.9171.1-171.80000111.4
226V34Very low40.1Very low141 Ų141128.7 Ų128.786%0.85575%0.748SS**  trans-147.9136.7159.9-179.20000107.9
227G30.6Very low38.4Very low64 Ų64131.4 Ų131.466%0.6676%0.763SS**  trans13546.4159.700000121.1
228N31.9Very low36.9Very low170 Ų170129.7 Ų129.791%0.90977%0.765SS**  trans57.4164.5147.3-68.313.9000122.1
229S32.6Very low35.6Very low118 Ų118129.9 Ų129.983%0.82577%0.773SS**  trans-105.3155.5-176.4-400000112.8
230A34Very low34.6Very low86 Ų86135.6 Ų135.671%0.71179%0.786SS**  160.9132.5115.800000115.7
231N32.2Very low33.6Very low153 Ų153133.3 Ų133.382%0.81879%0.788SS**  trans53.2132.7140.5-59.4-4.4000124.8
232N29Very low32.7Very low143 Ų143132 Ų13277%0.76579%0.794SS**  trans86.5105.6138.1-87.416000124.6
233V28.9Very low32.1Very low114 Ų114128.6 Ų128.669%0.69179%0.791SS**  64.1109.3113.61750000120.4
234T29.3Very low31.1Very low129 Ų129126.7 Ų126.779%0.79179%0.791SS**  -176.9149.5113.821.40000115.4
235N29.7Very low31.2Very low141 Ų141125.6 Ų125.675%0.75479%0.792SS**  trans41.3108.8151.5-73.7-20.4000124.6
236S30Very low30.8Very low109 Ų109124.4 Ų124.476%0.76279%0.79SS**  44.7118.5104.9-48.40000121.9
237S28.6Very low30.8Very low116 Ų116124.3 Ų124.381%0.81179%0.792SS**  168.3169.2101.9-163.10000114.5
238V29.2Very low30.9Very low119 Ų119126.7 Ų126.772%0.72180%0.798SS**  trans73.396.1163.6-164.70000120.6
239L28.6Very low30.9Very low156 Ų156124 Ų12482%0.81779%0.792SS**  26.1125.2128.7-58.6167.8000121.2
240Q29.8Very low31.2Very low198 Ų198123.6 Ų123.693%0.92579%0.79SS**  -168.1173.4103.6-105.1177.467.500112.8
241S27.7Very low31.6Very low119 Ų119124.7 Ų124.783%0.83279%0.79SS**  trans-132.7136.4-16557.60000114
242G28.9Very low32Very low72 Ų72123.8 Ų123.874%0.74279%0.792SS**  trans-167117.1173.800000116.2
243S30.5Very low32.3Very low112 Ų112124.8 Ų124.878%0.78380%0.797SS**  trans38.6107.715259.70000122
244S30.9Very low32.7Very low123 Ų123125 Ų12586%0.8680%0.803SS**  54.7154.4116.1-66.50000123
245P41.1Very low33.7Very low119 Ų119126.2 Ų126.277%0.77381%0.81SS**  trans-109.6156.6-140.739.6-35.2000116.9
246S30.3Very low34.3Very low111 Ų111123.8 Ų123.878%0.77681%0.81SS**  trans-103.2146154.5-70.40000110.2S248S246-S248 PolarHBondContact O-N 3.12Å; S246-S248 VanDerWaalsContact O-N 3.12Å
247P33.3Very low35Very low138 Ų138123.1 Ų123.190%0.89681%0.811SS**  trans-76.3100.2-177.330.2-34.2000111.7
248S32.3Very low35.5Very low114 Ų114125.7 Ų125.780%0.79782%0.815SS**  trans-81.8137.6173.5-169.90000111.9S246S246-S248 PolarHBondContact O-N 3.12Å; S246-S248 VanDerWaalsContact O-N 3.12Å
249S32.7Very low36.4Very low113 Ų113123 Ų12379%0.7981%0.811SS**  trans-86.8111.1177.154.30000111.6
250S37.4Very low37.5Very low111 Ų111121.8 Ų121.878%0.77681%0.812SS**PPolyproline II helixtrans-73143176.5-52.20000113
251P43.7Very low38.6Very low108 Ų108121.4 Ų121.470%0.70181%0.811SS**PPolyproline II helixtrans-71.2161.7167.332-35.2000111.6
252P41.2Very low39.2Very low134 Ų134121.5 Ų121.587%0.8781%0.806SS**PPolyproline II helixtrans-72.4140.2-176.429.6-35.3000112.8
253L35.2Very low40.6Very low165 Ų165125.5 Ų125.586%0.86481%0.809SS**  trans-109151.8171.6-74.5172.8000111.5
254S36.5Very low41.7Very low117 Ų117125.5 Ų125.582%0.81881%0.806SS**  trans-65.2137-173.3-52.40000113.7A256S254-A256 PolarHBondContact O-N 2.83Å; S254-A256 VanDerWaalsContact O-N 3.09Å
255V50Low43.2Very low155 Ų155130.8 Ų130.894%0.93981%0.807SS**SBendtrans-82.187.5-178.2-176.30000110.7
256A42.7Very low44.1Very low91 Ų91136.9 Ų136.975%0.75282%0.815SS**  trans-149.723.4-179.600000116.8S254S254-A256 PolarHBondContact O-N 2.83Å; S254-A256 VanDerWaalsContact O-N 3.09Å
257A44.3Very low45.8Very low95 Ų95140.2 Ų140.279%0.78582%0.818SS**  trans-167.2100.1164.200000113.2
258L40.4Very low47.1Very low169 Ų169136.8 Ų136.889%0.88580%0.801SS**  trans-143.7139.4160-80.3-178.6000110.6
259G46.1Very low48.6Very low63 Ų63135.8 Ų135.865%0.64979%0.792SS**  trans-73.8170.5175.200000113.4Q261G259-Q261 PolarHBondContact O-N 2.71Å
260P52.7Low49.9Very low130 Ų130134.4 Ų134.484%0.84479%0.787SS**SBendtrans-76116-172.730-33.9000112
261Q53.1Low51.1Low191 Ų191137.4 Ų137.489%0.89379%0.789SS**  trans162.947149.1-84.2-89.3-3.700111.7G259G259-Q261 PolarHBondContact O-N 2.71Å
262V40.2Very low51.9Low121 Ų121135.8 Ų135.873%0.73379%0.785SS**  trans-132.8122.7168-179.90000109.2P264V262-P264 WeakPolarHBondContact O-CD 3.27Å
263I57.6Low52.9Low156 Ų156135.9 Ų135.980%0.878%0.777SS**PPolyproline II helixtrans-87.7118.4178.3-59.1174.2000109R265I263-R265 PolarHBondContact O-N 2.84Å
264P53.8Low53.9Low112 Ų112131.4 Ų131.473%0.72776%0.764SS**PPolyproline II helixtrans-65129.6175.1-20.933.8000111.3V262 R266V262-P264 WeakPolarHBondContact O-CD 3.27Å; P264-R266 PolarHBondContact O-N 2.92Å
265R63.8Low54.9Low233 Ų233137.4 Ų137.488%0.87977%0.769SS**PPolyproline II helixtrans-68.7123.8170.9-70.5179.6176.5151.3-0.3108.9I263 H267I263-R265 PolarHBondContact O-N 2.84Å; R265-H267 PolarHBondContact O-N 3.5Å
266R59.9Low55.1Low247 Ų247138.4 Ų138.493%0.93276%0.763SS**PPolyproline II helixtrans-64.5125.1174.2-70.8-170.8175.7-151-0.5109.7P264P264-R266 PolarHBondContact O-N 2.92Å
267H64.4Low55.4Low182 Ų182136.9 Ų136.984%0.84376%0.757SS**PPolyproline II helixtrans-70.5148166.2-78.9-114.7000109.9R265R265-H267 PolarHBondContact O-N 3.5Å
268A60.5Low55.5Low66 Ų66137.1 Ų137.155%0.54575%0.753SS.*PPolyproline II helixtrans-69.8142.4174.700000110.7A272 L273A268-A272 HydrophobicContact CB-CB 4.45Å; A268-L273 HydrophobicContact CB-CD1 4.25Å
269P65.5Low55.7Low92 Ų92137 Ų13760%0.59775%0.745SS**PPolyproline II helixtrans-66.4151.3176.429.1-35000111.2E271 A272P269-E271 PolarHBondContact O-N 2.83Å; P269-E271 VanDerWaalsContact O-N 3.14Å; P269-A272 HydrophobicContact CG-CB 4.46Å; P269-A272 WeakPolarHBondContact O-CB 3.39Å; P269-A272 PolarHBondContact O-N 3.3Å
270A59.9Low56.5Low85 Ų85145.1 Ų145.170%0.70276%0.756SS**G310 helixtrans-58.6-31.7-171.100000114.2A272 L273 A274A270-A272 PolarHBondContact O-N 3.19Å; A270-L273 PolarHBondContact O-N 3.19Å; A270-A274 PolarHBondContact O-N 3.41Å
271E62.1Low56.6Low174 Ų174140.5 Ų140.581%0.81373%0.732SS**G310 helixtrans-61.4-27.6175.6-65176.7117.200112.8P269 L273 A274P269-E271 PolarHBondContact O-N 2.83Å; P269-E271 VanDerWaalsContact O-N 3.14Å; E271-L273 VanDerWaalsContact C-N 3.27Å; E271-L273 PolarHBondContact O-N 2.86Å; E271-A274 WeakPolarHBondContact O-CB 3.29Å; E271-A274 PolarHBondContact O-N 3.36Å
272A60.8Low56.6Low74 Ų74139.1 Ų139.161%0.61272%0.723SS**G310 helixtrans-75.8-12.7175.500000113.6A268 P269 A270A268-A272 HydrophobicContact CB-CB 4.45Å; P269-A272 HydrophobicContact CG-CB 4.46Å; P269-A272 WeakPolarHBondContact O-CB 3.39Å; P269-A272 PolarHBondContact O-N 3.3Å; A270-A272 PolarHBondContact O-N 3.19Å
273L61.3Low57.1Low135 Ų135138.7 Ų138.771%0.70772%0.723SS**THydrogen-bonded Turntrans-96.7-12.7170.7-81.673.9000112.1A268 A270 E271 R275A268-L273 HydrophobicContact CB-CD1 4.25Å; A270-L273 PolarHBondContact O-N 3.19Å; E271-L273 VanDerWaalsContact C-N 3.27Å; E271-L273 PolarHBondContact O-N 2.86Å; L273-R275 PolarHBondContact O-N 3.15Å; L273-R275 VanDerWaalsContact O-N 3.1Å
274A55.9Low56.6Low71 Ų71135.4 Ų135.459%0.58772%0.719SS**  trans-71.7103.9178.100000110.5A270 E271 Q276A270-A274 PolarHBondContact O-N 3.41Å; E271-A274 WeakPolarHBondContact O-CB 3.29Å; E271-A274 PolarHBondContact O-N 3.36Å; A274-Q276 PolarHBondContact O-N 3.15Å
275R58.6Low56.2Low244 Ų244135.7 Ų135.792%0.92171%0.714SS**  trans-60.8110169.1-83.2-177.1162.2-173.2-5109.4L273 G277L273-R275 PolarHBondContact O-N 3.15Å; L273-R275 VanDerWaalsContact O-N 3.1Å; R275-G277 PolarHBondContact O-N 3.14Å
276Q52.7Low55.6Low175 Ų175128.8 Ų128.882%0.81870%0.701SS**  trans-51.6115.7174.4-177.4179.4-15.400110.1A274A274-Q276 PolarHBondContact O-N 3.15Å
277G49.1Very low55.1Low60 Ų60124.6 Ų124.662%0.61969%0.692SS**  trans-60.5149.4-179.600000112.1R275 F279R275-G277 PolarHBondContact O-N 3.14Å; G277-F279 PolarHBondContact O-N 3.5Å; G277-F279 VanDerWaalsContact O-N 3.11Å
278S47.7Very low54.6Low100 Ų100125.2 Ų125.270%0.69969%0.693SS**  trans-42.2114.7-177.5-1790000113R280S278-R280 PolarHBondContact O-N 3.25Å
279F44.6Very low54.3Low167 Ų167128.3 Ų128.373%0.73271%0.705SS**  trans-68.597172.3-176.5-100000109.4G277 G281G277-F279 PolarHBondContact O-N 3.5Å; G277-F279 VanDerWaalsContact O-N 3.11Å; F279-G281 PolarHBondContact O-N 3.27Å
280R62.5Low53.5Low233 Ų233126.4 Ų126.488%0.87969%0.694SS**  trans-7662.3-177.6-67.9-175.2177.8-89.54.2112S278S278-R280 PolarHBondContact O-N 3.25Å
281G54.3Low53.1Low33 Ų33128 Ų12834%0.3470%0.697SS.*  trans-111.825.2-168.100000117.3F279F279-G281 PolarHBondContact O-N 3.27Å
282F53.5Low52.6Low161 Ų161128.4 Ų128.471%0.70670%0.697SS**  trans-135.180.4-178.8-78.8-73.5000116.3L285F282-L285 HydrophobicContact CD1-CD1 3.83Å; F282-L285 HydrophobicContact CD1-CG 4.37Å; F282-L285 HydrophobicContact CE1-CD1 3.84Å
283P50.1Low52Low112 Ų112130.2 Ų130.273%0.72769%0.69SS**SBendtrans-82-22.9155-10.628.5000112.8L285 S286P283-L285 PolarHBondContact O-N 3.05Å; P283-S286 PolarHBondContact O-OG 3.41Å
284A48.6Very low51.8Low87 Ų87133.4 Ų133.472%0.71969%0.693SS**THydrogen-bonded Turntrans-897.8-158.300000116.9
285L45.3Very low51.9Low119 Ų119139.1 Ų139.162%0.62371%0.708SS**THydrogen-bonded Turntrans-1059.3-179.4-98169.7000114.6F282 P283F282-L285 HydrophobicContact CD1-CD1 3.83Å; F282-L285 HydrophobicContact CD1-CG 4.37Å; F282-L285 HydrophobicContact CE1-CD1 3.84Å; P283-L285 PolarHBondContact O-N 3.05Å
286S49.8Very low51.7Low87 Ų87135.8 Ų135.861%0.60871%0.707SS**  trans-75.1-21.1-179.352.80000114.1P283 K288P283-S286 PolarHBondContact O-OG 3.41Å; S286-K288 PolarHBondContact O-N 2.76Å
287Q50.3Low51.8Low159 Ų159130.4 Ų130.474%0.74369%0.689SS**SBendtrans-87.296.5-170.3-61.9-145.421.400114.2T289Q287-T289 VanDerWaalsContact C-N 3.29Å; Q287-T289 PolarHBondContact O-N 2.91Å; Q287-T289 PolarHBondContact O-OG1 2.69Å
288K53.2Low52Low195 Ų195133.7 Ų133.785%0.84869%0.692SS**SBendtrans47.3-12147.9-67-175.1177.5179.30122.9S286S286-K288 PolarHBondContact O-N 2.76Å
289T54.3Low52.6Low132 Ų132135.9 Ų135.981%0.8169%0.685SS**  trans-117.57.7-174.857.30000115.4Q287Q287-T289 VanDerWaalsContact C-N 3.29Å; Q287-T289 PolarHBondContact O-N 2.91Å; Q287-T289 PolarHBondContact O-OG1 2.69Å
290S49.3Very low52.9Low52 Ų52135.4 Ų135.436%0.36469%0.687SS.*  trans-65.4124.6179.4-179.10000112.4F292 K293S290-F292 PolarHBondContact O-N 2.92Å; S290-F292 VanDerWaalsContact O-N 3.09Å; S290-K293 PolarHBondContact O-N 3.39Å
291P50.7Low52.8Low117 Ų117132 Ų13276%0.7669%0.686SS**THydrogen-bonded Turntrans-72.2-2.1-173.928.8-35.9000115
292F52.7Low53Low184 Ų184136 Ų13681%0.80770%0.695SS**THydrogen-bonded Turntrans-109.313.5-179.9-67.9-75.2000113.8S290 R294S290-F292 PolarHBondContact O-N 2.92Å; S290-F292 VanDerWaalsContact O-N 3.09Å; F292-R294 PolarHBondContact O-N 3.42Å
293K48.4Very low53.3Low111 Ų111132.8 Ų132.848%0.48369%0.685SS.*  trans-81.589.6-172.8-160.7171.2-173.9177.40112.5S290 Q295S290-K293 PolarHBondContact O-N 3.39Å; K293-Q295 PolarHBondContact O-N 2.8Å; K293-Q295 VanDerWaalsContact O-N 3.13Å
294R56.9Low53.7Low203 Ų203130.9 Ų130.977%0.76667%0.673SS**  trans-52.2116167.9-77.1-176.2-82.3144.9-10.2110.5F292 L296F292-R294 PolarHBondContact O-N 3.42Å; R294-L296 VanDerWaalsContact C-N 3.33Å; R294-L296 PolarHBondContact O-N 2.76Å
295Q56.5Low54.1Low190 Ų190129.4 Ų129.489%0.88866%0.657SS**THydrogen-bonded Turntrans-84.4-0.5-166.8-167165.7-20.900114.6K293K293-Q295 PolarHBondContact O-N 2.8Å; K293-Q295 VanDerWaalsContact O-N 3.13Å
296L54.3Low54.6Low174 Ų174128.8 Ų128.891%0.91166%0.659SS**THydrogen-bonded Turntrans-12422.5-174.7-63.3174.9000113.6R294R294-L296 VanDerWaalsContact C-N 3.33Å; R294-L296 PolarHBondContact O-N 2.76Å
297S55.9Low54.5Low62 Ų62131.3 Ų131.343%0.43466%0.662SS.*  trans-111.295.8173.9-58.40000110.1
298L54.1Low54.9Low130 Ų130129 Ų12968%0.68165%0.652SS**  trans-54.1138.5166.9-72.1172000109.4E302L298-E302 HydrophobicContact CD2-CB 4.5Å
299R59.3Low55.1Low145 Ų145128.2 Ų128.255%0.54764%0.644SS.*  trans-80.4155.5176.9-74.5169.6166.560.211.8110.1N301 E302R299-N301 PolarHBondContact O-N 2.92Å; R299-N301 VanDerWaalsContact O-N 3.07Å; R299-E302 HydrophobicContact CB-CG 4.47Å; R299-E302 PolarHBondContact N-OE2 3.11Å; R299-E302 PolarHBondContact O-N 3.17Å
300M51.8Low55.1Low157 Ų157129.5 Ų129.577%0.77364%0.638SS**G310 helixtrans-56.1-29.4178.9-153.369.575.100112.3E302 L303M300-E302 VanDerWaalsContact C-N 3.3Å; M300-E302 PolarHBondContact O-N 2.84Å; M300-L303 HydrophobicContact SD-CD1 3.8Å
301N59.1Low55.4Low161 Ų161131 Ų13186%0.86165%0.648SS**G310 helixtrans-77.6-4.8177-5654.7000114.5R299R299-N301 PolarHBondContact O-N 2.92Å; R299-N301 VanDerWaalsContact O-N 3.07Å
302E58.3Low55.4Low117 Ų117131 Ų13155%0.54764%0.641SS.*G310 helixtrans-111.58.1-179.7-64.7172.1131.400112.2L298 R299 M300L298-E302 HydrophobicContact CD2-CB 4.5Å; R299-E302 HydrophobicContact CB-CG 4.47Å; R299-E302 PolarHBondContact N-OE2 3.11Å; R299-E302 PolarHBondContact O-N 3.17Å; M300-E302 VanDerWaalsContact C-N 3.3Å; M300-E302 PolarHBondContact O-N 2.84Å
303L59.6Low54.8Low94 Ų94132 Ų13249%0.49265%0.646SS.*SBendtrans-87.1127.1177.1-65.3175.9000110.8M300M300-L303 HydrophobicContact SD-CD1 3.8Å
304P58.2Low54.7Low73 Ų73132.6 Ų132.647%0.47466%0.661SS.*PPolyproline II helixtrans-66.6136.5176.127.3-33.7000110.9Q308 R309P304-Q308 HydrophobicContact CB-CB 4.49Å; P304-R309 PolarHBondContact O-NH2 3.36Å
305S58.2Low54.4Low55 Ų55130.9 Ų130.939%0.38567%0.666SS.*PPolyproline II helixtrans-63.7159.5-172.668.40000112.9M307 Q308 R309S305-M307 PolarHBondContact O-N 3.43Å; S305-Q308 PolarHBondContact O-N 3.38Å; S305-Q308 VanDerWaalsContact O-N 3.11Å; S305-Q308 PolarHBondContact OG-N 3.33Å; S305-Q308 PolarHBondContact OG-OE1 3.38Å; S305-R309 PolarHBondContact O-N 3.23Å
306T55.1Low53.8Low106 Ų106131.1 Ų131.165%0.6566%0.664SS**THydrogen-bonded Turntrans-59.9-13.2174.6-55.90000113.4K310T306-K310 VanDerWaalsContact O-CE 3.28Å; T306-K310 WeakPolarHBondContact O-CE 3.43Å; T306-K310 WeakPolarHBondContact O-CG 3.29Å
307M49.1Very low52.8Low140 Ų140130.2 Ų130.269%0.6966%0.66SS**THydrogen-bonded Turntrans-85.6-42.8172.1-68.4-131.463.100112.8S305 R309 K310S305-M307 PolarHBondContact O-N 3.43Å; M307-R309 PolarHBondContact O-N 2.82Å; M307-K310 WeakPolarHBondContact O-CB 3.3Å; M307-K310 PolarHBondContact O-N 2.72Å; M307-K310 VanDerWaalsContact O-N 3.11Å
308Q58.6Low52.2Low110 Ų110133.9 Ų133.951%0.51468%0.68SS.*G310 helixtrans-67.2-24.5178.8-70.7159.3-62.900112.8P304 S305 K310 S311P304-Q308 HydrophobicContact CB-CB 4.49Å; S305-Q308 PolarHBondContact O-N 3.38Å; S305-Q308 VanDerWaalsContact O-N 3.11Å; S305-Q308 PolarHBondContact OG-N 3.33Å; S305-Q308 PolarHBondContact OG-OE1 3.38Å; Q308-K310 PolarHBondContact O-N 2.69Å; Q308-K310 VanDerWaalsContact O-N 3.13Å; Q308-S311 PolarHBondContact O-OG 2.91Å; Q308-S311 VanDerWaalsContact O-OG 3.09Å
309R57.3Low50.9Low180 Ų180133.9 Ų133.968%0.67969%0.685SS**G310 helixtrans-71.83.6173-115.3174.8-69.4170.8-1.8114.7P304 S305 M307P304-R309 PolarHBondContact O-NH2 3.36Å; S305-R309 PolarHBondContact O-N 3.23Å; M307-R309 PolarHBondContact O-N 2.82Å
310K53.4Low50.2Low159 Ų159132.6 Ų132.669%0.69170%0.696SS**G310 helixtrans-108.5-15.4-179.6-54.4-174.8178.5-1690114.1T306 M307 Q308T306-K310 VanDerWaalsContact O-CE 3.28Å; T306-K310 WeakPolarHBondContact O-CE 3.43Å; T306-K310 WeakPolarHBondContact O-CG 3.29Å; M307-K310 WeakPolarHBondContact O-CB 3.3Å; M307-K310 PolarHBondContact O-N 2.72Å; M307-K310 VanDerWaalsContact O-N 3.11Å; Q308-K310 PolarHBondContact O-N 2.69Å; Q308-K310 VanDerWaalsContact O-N 3.13Å
311S56.8Low49.8Very low82 Ų82133.3 Ų133.357%0.57370%0.697SS**THydrogen-bonded Turntrans-97.8-25.6-169.535.80000114.7Q308Q308-S311 PolarHBondContact O-OG 2.91Å; Q308-S311 VanDerWaalsContact O-OG 3.09Å
312D49.3Very low48.9Very low117 Ų117132.4 Ų132.463%0.62670%0.697SS**  trans-120.362.9-155.4-65.9-83000114.9
313F41.4Very low48.3Very low205 Ų205135.4 Ų135.490%0.89971%0.711SS**  trans-150.1106.9154.2-83.4-62.8000111.9
314P45.6Very low47.5Very low124 Ų124134.1 Ų134.181%0.80572%0.72SS**  trans-77130.1170.230.6-32.4000110.9K316P314-K316 PolarHBondContact O-N 3.24Å
315I50.9Low47.1Very low168 Ų168140.1 Ų140.186%0.86274%0.742SS**  trans-73.3110-178.8-60.9171000110.2
316K43.6Very low46.7Very low195 Ų195143.8 Ų143.885%0.84876%0.757SS**  trans-146.694163.7-78.3-164.2175.7-176.70112.3P314P314-K316 PolarHBondContact O-N 3.24Å
317N33.9Very low46.9Very low154 Ų154144.5 Ų144.582%0.82476%0.757SS**  -164.7142.1124.8-116.310.4000111.1
318T43Very low47.6Very low139 Ų139142.6 Ų142.685%0.85376%0.757SS**  trans-124.5110-177.9-580000109.7
319V27.5Very low47.9Very low131 Ų131143.4 Ų143.479%0.79476%0.764SS**  trans-159.7157.2163.5-1110000108
320P43.7Very low48.5Very low118 Ų118138.4 Ų138.477%0.76676%0.757SS**  -114.6174.8-101.441-35.6000115
321E43.6Very low49.3Very low172 Ų172134.2 Ų134.280%0.80475%0.747SS**  trans-44.4133.6173.7-160171.3125.300115.4
322V39.4Very low49.9Very low142 Ų142134.7 Ų134.786%0.86174%0.743SS**  trans-144.5128.9149.565.30000107.5
323E45.8Very low50.7Low180 Ų180133 Ų13384%0.84174%0.739SS**  trans-77.9143.7-172.5-62173.498.500112.1
324G44.1Very low52.1Low66 Ų66127.6 Ų127.668%0.6872%0.723SS**  trans162.387.7177.100000114.5
325E49.4Very low53.3Low199 Ų199127.7 Ų127.793%0.9371%0.713SS**  trans36.692.4162.6-68.2179.973.400118.1
326N49.8Very low54.4Low133 Ų133124 Ų12471%0.71169%0.694SS**  trans-1221.2178.958.3-6.2000116.2
327D58.2Low55.6Low120 Ų120117.6 Ų117.664%0.64268%0.677SS**Hα-helixtrans-84.2-15.3-171.6-86.6-47.3000116.9I329 S331D327-I329 PolarHBondContact O-N 2.89Å; D327-S331 WeakPolarHBondContact O-CB 3.34Å; D327-S331 PolarHBondContact O-N 3.17Å; D327-S331 VanDerWaalsContact O-N 3.14Å
328S64.4Low57.1Low100 Ų100114.8 Ų114.870%0.69967%0.666SS**Hα-helixtrans-59.5-41.5-173-72.30000114.7L332S328-L332 VanDerWaalsContact O-CB 3.31Å; S328-L332 WeakPolarHBondContact O-CB 3.26Å; S328-L332 PolarHBondContact O-N 3.22Å
329I64.8Low58Low128 Ų128111.8 Ų111.866%0.65666%0.655SS**Hα-helixtrans-81.3-45.8-171.9-57.1177000111D327 S331 L332 C333D327-I329 PolarHBondContact O-N 2.89Å; I329-S331 VanDerWaalsContact C-N 3.33Å; I329-S331 PolarHBondContact O-N 3.18Å; I329-L332 PolarHBondContact O-N 3.46Å; I329-C333 PolarHBondContact O-N 2.92Å; I329-C333 PolarHBondContact O-SG 2.95Å
330S69.7Low59.4Low75 Ų75114.1 Ų114.152%0.52466%0.655SS.*Hα-helixtrans-61.3-41.7178.5-53.70000111.7T334S330-T334 WeakPolarHBondContact O-CB 3.21Å; S330-T334 PolarHBondContact O-N 2.86Å; S330-T334 VanDerWaalsContact O-N 3.12Å; S330-T334 PolarHBondContact O-OG1 2.76Å
331S69.9Low59.8Low71 Ų71113.2 Ų113.250%0.49765%0.651SS.*Hα-helixtrans-63.3-49.9175.1-173.50000111.5D327 I329 C333 T334 Q335D327-S331 WeakPolarHBondContact O-CB 3.34Å; D327-S331 PolarHBondContact O-N 3.17Å; D327-S331 VanDerWaalsContact O-N 3.14Å; I329-S331 VanDerWaalsContact C-N 3.33Å; I329-S331 PolarHBondContact O-N 3.18Å; S331-C333 PolarHBondContact O-N 3.24Å; S331-T334 WeakPolarHBondContact O-CB 3.48Å; S331-T334 PolarHBondContact O-N 2.9Å; S331-T334 VanDerWaalsContact O-N 3.11Å; S331-Q335 WeakPolarHBondContact O-CB 3.47Å; S331-Q335 PolarHBondContact O-N 3.03Å
332L70.6Confident60Low92 Ų92107.9 Ų107.948%0.48264%0.642SS.*Hα-helixtrans-59.7-45178.918062.4000112.8S328 I329 T334 Q335 I336S328-L332 VanDerWaalsContact O-CB 3.31Å; S328-L332 WeakPolarHBondContact O-CB 3.26Å; S328-L332 PolarHBondContact O-N 3.22Å; I329-L332 PolarHBondContact O-N 3.46Å; L332-T334 VanDerWaalsContact C-N 3.28Å; L332-T334 PolarHBondContact O-N 2.82Å; L332-Q335 PolarHBondContact O-N 2.86Å; L332-I336 HydrophobicContact CD1-CD1 3.98Å; L332-I336 HydrophobicContact CD1-CG1 4.3Å; L332-I336 HydrophobicContact CG-CD1 3.97Å; L332-I336 VanDerWaalsContact O-CG1 3.3Å; L332-I336 WeakPolarHBondContact O-CG1 3.36Å; L332-I336 PolarHBondContact O-N 2.96Å
333C65.6Low60.4Low80 Ų80106.8 Ų106.854%0.54164%0.638SS.*Hα-helixtrans-62.8-35.4176.3-71.60000112.5I329 S331 A337I329-C333 PolarHBondContact O-N 2.92Å; I329-C333 PolarHBondContact O-SG 2.95Å; S331-C333 PolarHBondContact O-N 3.24Å; C333-A337 PolarHBondContact O-N 3.19Å
334T71.6Confident60.5Low92 Ų92104.2 Ų104.256%0.56464%0.637SS**Hα-helixtrans-70.2-44175.7-54.90000111.3S330 S331 L332 I336 A337 T338S330-T334 WeakPolarHBondContact O-CB 3.21Å; S330-T334 PolarHBondContact O-N 2.86Å; S330-T334 VanDerWaalsContact O-N 3.12Å; S330-T334 PolarHBondContact O-OG1 2.76Å; S331-T334 WeakPolarHBondContact O-CB 3.48Å; S331-T334 PolarHBondContact O-N 2.9Å; S331-T334 VanDerWaalsContact O-N 3.11Å; L332-T334 VanDerWaalsContact C-N 3.28Å; L332-T334 PolarHBondContact O-N 2.82Å; T334-I336 PolarHBondContact O-N 2.85Å; T334-A337 WeakPolarHBondContact O-CB 3.43Å; T334-A337 PolarHBondContact O-N 3.42Å; T334-A337 VanDerWaalsContact O-N 3.13Å; T334-T338 PolarHBondContact O-N 3.34Å; T334-T338 VanDerWaalsContact O-N 3.08Å; T334-T338 PolarHBondContact O-OG1 2.7Å
335Q70.8Confident60.2Low126 Ų126109.9 Ų109.959%0.58965%0.646SS**Hα-helixtrans-62.8-38.6179.3-170.7178.623.800112.6S331 L332 A337 T338 A339S331-Q335 WeakPolarHBondContact O-CB 3.47Å; S331-Q335 PolarHBondContact O-N 3.03Å; L332-Q335 PolarHBondContact O-N 2.86Å; Q335-A337 VanDerWaalsContact C-N 3.34Å; Q335-T338 PolarHBondContact O-OG1 2.94Å; Q335-A339 WeakPolarHBondContact O-CB 3.49Å; Q335-A339 PolarHBondContact O-N 3.09Å; Q335-A339 VanDerWaalsContact O-N 3.17Å
336I73Confident59.8Low92 Ų92106.2 Ų106.247%0.47263%0.633SS.*Hα-helixtrans-66.4-37.2174.2-67.7166.2000110.8L332 T334 A339 F340L332-I336 HydrophobicContact CD1-CD1 3.98Å; L332-I336 HydrophobicContact CD1-CG1 4.3Å; L332-I336 HydrophobicContact CG-CD1 3.97Å; L332-I336 VanDerWaalsContact O-CG1 3.3Å; L332-I336 WeakPolarHBondContact O-CG1 3.36Å; L332-I336 PolarHBondContact O-N 2.96Å; T334-I336 PolarHBondContact O-N 2.85Å; I336-A339 PolarHBondContact O-N 3.29Å; I336-F340 HydrophobicContact CG2-CE2 4.26Å; I336-F340 VanDerWaalsContact O-CD2 3.32Å; I336-F340 WeakPolarHBondContact O-CD2 3.42Å
337A69.3Low59.7Low60 Ų60105.6 Ų105.650%0.49664%0.636SS.*Hα-helixtrans-69.6-39.2179.500000113.1C333 T334 Q335 S341C333-A337 PolarHBondContact O-N 3.19Å; T334-A337 WeakPolarHBondContact O-CB 3.43Å; T334-A337 PolarHBondContact O-N 3.42Å; T334-A337 VanDerWaalsContact O-N 3.13Å; Q335-A337 VanDerWaalsContact C-N 3.34Å; A337-S341 PolarHBondContact O-OG 2.97Å
338T66.1Low59Low94 Ų94108.9 Ų108.958%0.57765%0.645SS**Hα-helixtrans-70.4-32.617537.90000112.9T334 Q335 F340 S341T334-T338 PolarHBondContact O-N 3.34Å; T334-T338 VanDerWaalsContact O-N 3.08Å; T334-T338 PolarHBondContact O-OG1 2.7Å; Q335-T338 PolarHBondContact O-OG1 2.94Å; T338-F340 PolarHBondContact O-N 2.94Å; T338-F340 VanDerWaalsContact O-N 3.14Å; T338-S341 PolarHBondContact O-N 3.43Å; T338-S341 VanDerWaalsContact O-N 3.08Å
339A61Low57.9Low76 Ų76109.2 Ų109.263%0.62865%0.647SS**Hα-helixtrans-59.3-25.6-179.200000114.8Q335 I336Q335-A339 WeakPolarHBondContact O-CB 3.49Å; Q335-A339 PolarHBondContact O-N 3.09Å; Q335-A339 VanDerWaalsContact O-N 3.17Å; I336-A339 PolarHBondContact O-N 3.29Å
340F56.5Low56.6Low181 Ų181109.1 Ų109.179%0.79466%0.658SS**THydrogen-bonded Turntrans-99.49.4178.6-67.4-72.6000114.5I336 T338I336-F340 HydrophobicContact CG2-CE2 4.26Å; I336-F340 VanDerWaalsContact O-CD2 3.32Å; I336-F340 WeakPolarHBondContact O-CD2 3.42Å; T338-F340 PolarHBondContact O-N 2.94Å; T338-F340 VanDerWaalsContact O-N 3.14Å
341S51.3Low54.9Low98 Ų98110.3 Ų110.369%0.68567%0.672SS**SBendtrans-116.17.8-170.6-580000114.9A337 T338A337-S341 PolarHBondContact O-OG 2.97Å; T338-S341 PolarHBondContact O-N 3.43Å; T338-S341 VanDerWaalsContact O-N 3.08Å
342G47.8Very low53.3Low60 Ų60113.1 Ų113.162%0.61969%0.689SS**SBendtrans-95.1150.2179.600000114
343P47.8Very low51.5Low119 Ų119116.8 Ų116.877%0.77371%0.706SS**PPolyproline II helixtrans-72.4159.117132.6-35.3000111.8
344P48.9Very low50.2Low127 Ų127118.7 Ų118.783%0.82572%0.717SS**PPolyproline II helixtrans-78.7128.8-178.131.4-34000112.4
345E37.3Very low48.4Very low185 Ų185123.8 Ų123.886%0.86473%0.731SS**  trans-127.3148.6166.6-86.9-76.5110.700109
346D40.8Very low46.7Very low121 Ų121123.8 Ų123.865%0.64774%0.742SS**  trans-86.9120.1-165.2-175.9-8.1000113F348D346-F348 VanDerWaalsContact C-N 3.27Å; D346-F348 PolarHBondContact O-N 3.44Å; D346-F348 PolarHBondContact OD1-N 3.27Å; D346-F348 VanDerWaalsContact OD1-N 3.08Å
347P49Very low44.8Very low121 Ų121125.5 Ų125.579%0.78676%0.757SS**THydrogen-bonded Turntrans-77.22.8-176.232.6-37000115.4S349P347-S349 PolarHBondContact O-N 3.3Å
348F42.2Very low43.1Very low188 Ų188127.3 Ų127.383%0.82577%0.766SS**THydrogen-bonded Turntrans-90.513.5-172.5-102.7-77.3000117.6D346D346-F348 VanDerWaalsContact C-N 3.27Å; D346-F348 PolarHBondContact O-N 3.44Å; D346-F348 PolarHBondContact OD1-N 3.27Å; D346-F348 VanDerWaalsContact OD1-N 3.08Å
349S42.3Very low41.6Very low107 Ų107128.3 Ų128.375%0.74878%0.777SS**SBendtrans-115.764.2179.7-73.30000115.6P347P347-S349 PolarHBondContact O-N 3.3Å
350S38Very low40.6Very low126 Ų126129.9 Ų129.988%0.88178%0.781SS**SBendtrans174.986.9146.1-89.30000115.8
351A32.9Very low39.4Very low100 Ų100130 Ų13083%0.82678%0.784SS**  trans-168145.415100000111.3
352P37Very low38.5Very low130 Ų130130.8 Ų130.884%0.84479%0.789SS**PPolyproline II helixtrans-90.5147-17434.4-34.8000114.9
353M31.6Very low38Very low170 Ų170133.7 Ų133.784%0.83780%0.797SS**PPolyproline II helixtrans-81.9139.4177.6-61.2174.469.600113.9
354P39.1Very low37.2Very low120 Ų120134.6 Ų134.678%0.77980%0.8SS**PPolyproline II helixtrans-85143.5149.233-28.5000110.9
355K34.5Very low36.4Very low199 Ų199132.9 Ų132.987%0.86580%0.797SS**PPolyproline II helixtrans-89.4134.4-178-59.3174.1-176.8175.20111.9
356P35.3Very low36.5Very low126 Ų126129.4 Ų129.482%0.81879%0.79SS**PPolyproline II helixtrans-79.6145.8157.833.1-31.6000110.5
357T32.6Very low36Very low127 Ų127129.7 Ų129.778%0.77980%0.796SS**  trans-126.2141.1174.4-171.40000111.6
358S33.3Very low35.1Very low98 Ų98131.6 Ų131.669%0.68580%0.8SS**  trans33.6118.4151.458.10000120.3
359S33.7Very low34.5Very low115 Ų115126 Ų12680%0.80480%0.795SS**  trans-60.1166.5152.8-42.70000111.8
360P40.8Very low33.9Very low109 Ų109127.9 Ų127.971%0.70880%0.802SS**  -149.1161.690.139.4-22.9000117.3
361Q31.4Very low33.5Very low183 Ų183129.7 Ų129.786%0.85580%0.799SS**  trans42.1131.5146.1-70.3171.8-10600123.2
362S32Very low34.3Very low115 Ų115130.3 Ų130.380%0.80479%0.794SS**  trans-70.9160153.8-40.80000112.6
363P37.8Very low34Very low122 Ų122127.1 Ų127.179%0.79278%0.779SS**  trans-136.3150133.737.3-26.5000115.9
364V29.9Very low34Very low137 Ų137128.1 Ų128.183%0.8378%0.779SS**  trans2.5136.6148172.40000119.4
365A32.8Very low33.5Very low92 Ų92127.7 Ų127.776%0.7678%0.778SS**  trans-95157.816700000113.3
366P40.4Very low33.2Very low111 Ų111125.8 Ų125.872%0.72178%0.776SS**  trans-142.3135.4145.836.2-20.5000116.8
367V28.8Very low32.9Very low127 Ų127124.4 Ų124.477%0.7778%0.775SS**  58.2122.5129.4-179.90000122.2
368N30.8Very low32.8Very low162 Ų162122.3 Ų122.387%0.86677%0.771SS**  trans49.7142.3150.8-66.8-4.6000122.7
369G29.7Very low32.6Very low69 Ų69124.2 Ų124.271%0.71178%0.778SS**  trans164.671.9154.200000118.6
370T29.8Very low32.5Very low147 Ų147123.6 Ų123.690%0.90278%0.781SS**  trans40.3137.3142.8-32.10000122.5
371M30Very low31.9Very low165 Ų165122.9 Ų122.981%0.81378%0.784SS**  trans-72.6-172.5166.6-62-178.564.500112
372P49.5Very low32.5Very low113 Ų113119.9 Ų119.973%0.73478%0.78SS**  cis-149.7175.18.746.9-27.2000120.6
373A31.1Very low32.3Very low63 Ų63118.7 Ų118.752%0.52178%0.777SS.*  104.8142.7129.600000123.5
374F30.2Very low32Very low191 Ų191117.8 Ų117.884%0.83878%0.78SS**  trans70.3109.2159.4-46.5-52.4000118.5
375S29Very low32Very low110 Ų110117 Ų11777%0.76978%0.78SS**  93.2145.267-66.60000111.8
376I28.6Very low32.3Very low160 Ų160120.2 Ų120.282%0.82179%0.785SS**  cis-149.7141.433.5-69.3172.6000112.4
377A29.1Very low32.4Very low97 Ų97120.8 Ų120.880%0.80279%0.788SS**  trans60.116015700000120.2
378A29.9Very low32.5Very low83 Ų83119.6 Ų119.669%0.68679%0.792SS**  cis-149169.611.400000115.2
379T29.9Very low32.6Very low137 Ų137118.6 Ų118.684%0.8479%0.792SS**  trans69.1112.3156.330.10000122.6
380A30.9Very low32.8Very low103 Ų103123.3 Ų123.385%0.85180%0.8SS**  70.6138.5129.100000122.7
381A28.4Very low33.1Very low93 Ų93125.1 Ų125.177%0.76980%0.797SS**  trans-160177.3168.400000107.6
382P44.3Very low33.6Very low120 Ų120123.2 Ų123.278%0.77980%0.797SS**  cis-134-166.6-6.540.3-21.8000114.2
383A28.1Very low32.8Very low90 Ų90122.7 Ų122.774%0.74480%0.803SS**  trans85.5110.2143.500000122.6
384A30.7Very low33.1Very low103 Ų103126.9 Ų126.985%0.85182%0.816SS**  66.4110.1127.300000122
385S30.6Very low33.5Very low120 Ų120124 Ų12484%0.83982%0.816SS**  trans-151.5156.1143560000111
386N38.7Very low33.8Very low161 Ų161124.4 Ų124.486%0.86181%0.814SS**  trans-81.6163.1-178.9-62.8-31.7000112.2
387P41.1Very low34.2Very low122 Ų122126.8 Ų126.879%0.79281%0.813SS**  trans-114.2150.1138.835.3-29.7000112.2
388A31.6Very low34.4Very low102 Ų102131.3 Ų131.384%0.84382%0.817SS**  trans-92.6158.1171.900000111.3
389V33Very low34.7Very low142 Ų142132 Ų13286%0.86181%0.813SS**  trans-130.1147.8172.8-178.70000109.9
390L34.5Very low35.2Very low168 Ų168131 Ų13188%0.8880%0.802SS**PPolyproline II helixtrans-91.8161.8-165.7-67.4161.6000114
391H35.6Very low35.9Very low184 Ų184131.1 Ų131.185%0.85279%0.794SS**PPolyproline II helixtrans-78.9141.8172.1-72.9-98.8000113
392P40.8Very low36.2Very low125 Ų125137 Ų13781%0.81280%0.797SS**PPolyproline II helixtrans-84.1166.5150.6-11.830000112.3
393A32.8Very low35.9Very low103 Ų103135.9 Ų135.985%0.85180%0.798SS**PPolyproline II helixtrans-97.9173.1-169.700000115.5
394L37.3Very low36.3Very low151 Ų151135.8 Ų135.879%0.79180%0.797SS**PPolyproline II helixtrans-73.7161.5178.3-60.2169.2000113.3T396L394-T396 HydrophobicContact CD1-CG2 4.35Å
395P38.8Very low36.5Very low129 Ų129138.6 Ų138.684%0.83880%0.798SS**  -110155.3128.834.4-32.5000111.6
396T35.3Very low37.1Very low119 Ų119139 Ų13973%0.7380%0.797SS**  trans-115.9141.3-171.831.80000114.4L394L394-T396 HydrophobicContact CD1-CG2 4.35Å
397R37.2Very low36.8Very low210 Ų210136 Ų13679%0.79280%0.795SS**  trans67112.2147.5-174.6-170.1171.6174.9-2.9118.9
398E32.2Very low36.2Very low193 Ų193133.6 Ų133.690%0.90279%0.793SS**  trans-111.8173.1141.5-89.3-90.790.300109.4
399T36.7Very low37.3Very low96 Ų96135.1 Ų135.159%0.58979%0.794SS**  trans-118149.6-159-59.10000115.2
400N41.3Very low37.1Very low116 Ų116133.2 Ų133.262%0.6279%0.793SS**  trans-55.7125-177.2175.721.4000114.7W402N400-W402 PolarHBondContact OD1-N 3.1Å
401P45Very low36.9Very low106 Ų106129.7 Ų129.769%0.68879%0.789SS**SBendtrans-89.3-8.3176.934.8-35.3000116
402W34.8Very low37.5Very low217 Ų217126.1 Ų126.182%0.82278%0.782SS**  trans-111.658.4-172.3-90.5-67000114.6N400 A404N400-W402 PolarHBondContact OD1-N 3.1Å; W402-A404 PolarHBondContact O-N 3.44Å
403A37.2Very low36.9Very low96 Ų96125.8 Ų125.879%0.79378%0.777SS**  trans-91.673.4172.300000112.5
404A36.4Very low37.1Very low89 Ų89128.4 Ų128.474%0.73678%0.776SS**  trans-152.8114.6170.400000113.4W402W402-A404 PolarHBondContact O-N 3.44Å
405N36.3Very low37.1Very low162 Ų162127.3 Ų127.387%0.86678%0.778SS**  trans-77.2161157.7-84.9-4000109.6
406P42.8Very low36.6Very low127 Ų127124.7 Ų124.783%0.82577%0.774SS**  -139.4158.8101.438.1-27.4000114.5
407A32.1Very low36.2Very low99 Ų99122.7 Ų122.782%0.81878%0.777SS**  trans-109153.2159.800000109.4
408G28.8Very low36Very low72 Ų72120 Ų12074%0.74278%0.779SS**  trans-84.8-14617300000112.3
409P54Low35.8Very low133 Ų133122.5 Ų122.586%0.86478%0.78SS**  cis-134.9-178.8-4.342.7-27.1000114.2
410A28.7Very low35.4Very low103 Ų103123.7 Ų123.785%0.85179%0.787SS**  trans-168.1160.1151.200000112.8
411A31.5Very low34.9Very low94 Ų94123.7 Ų123.778%0.77780%0.796SS**  trans-134.9-168.9174.800000108.3
412P47.3Very low34.1Very low109 Ų109123.1 Ų123.171%0.70880%0.801SS**  cis-146.2-168.76.141.6-18.7000117.8
413T29.1Very low33.8Very low117 Ų117119.3 Ų119.372%0.71880%0.802SS**  trans69113.3151.742.70000124
414L35.8Very low34.5Very low158 Ų158120 Ų12083%0.82780%0.798SS**  44152.1114-72.1172.5000121.5
415P38.7Very low34.1Very low129 Ų129120.1 Ų120.184%0.83880%0.799SS**  cis-132.9-171.237.341.4-23.2000114.7
416G27.1Very low33.8Very low73 Ų73119.9 Ų119.975%0.75380%0.796SS**  cis166.5172.8-600000111
417G28.4Very low33.2Very low77 Ų77120.5 Ų120.579%0.79480%0.797SS**  trans160116.8171.900000116.6
418D32.2Very low33Very low155 Ų155119.7 Ų119.783%0.82979%0.791SS**  trans-123.2164.1-176.7-70.4-74.4000113.4
419W27.2Very low34.5Very low245 Ų245122 Ų12293%0.92879%0.793SS**  trans-140.2144.7156.5-7478.1000106.5
420T29.3Very low34.3Very low120 Ų120120.6 Ų120.674%0.73678%0.783SS**  cis-144.1146.726.247.20000114.9
421S29.6Very low34.4Very low116 Ų116122 Ų12281%0.81178%0.782SS**  trans49.8107.8136.6-176.60000123
422A28.2Very low34.2Very low95 Ų95122.1 Ų122.179%0.78578%0.782SS**  -166.9152.5125.300000112.5
423T28.5Very low33.7Very low136 Ų136122.3 Ų122.383%0.83479%0.786SS**  trans-161.8170.4-177.5150000109.9
424P52.5Low34.4Very low112 Ų112122.5 Ų122.573%0.72779%0.79SS**  cis-136.1166.8-12.338.6-22.1000115.7
425A28.1Very low34.2Very low90 Ų90119 Ų11974%0.74478%0.783SS**  trans-176.6120.4147.200000108
426I29.3Very low34.2Very low157 Ų157121.6 Ų121.681%0.80579%0.786SS**  cis110.114248.8-84169.4000110.5
427V30Very low34.2Very low140 Ų140123.3 Ų123.385%0.84879%0.787SS**  trans83.8137.9-176-163.80000117.5
428A28.2Very low34.8Very low83 Ų83124.4 Ų124.469%0.68679%0.789SS**  trans-158.8-178.317400000108.9
429P60Low34.9Very low121 Ų121125.7 Ų125.779%0.78679%0.789SS**  cis-126.4-28.4-15.59.613.1000122.9
430P50.3Low35.7Very low102 Ų102123.8 Ų123.866%0.66279%0.787SS**  -126.8165.3-108.842.9-31.5000119.8
431T30.3Very low36.4Very low134 Ų134129.5 Ų129.582%0.82280%0.796SS**  trans98.8130.4144.5-60.80000121.5
432A28.9Very low37.4Very low95 Ų95129.9 Ų129.979%0.78579%0.793SS**  trans83131.2156.800000122
433S36Very low38.6Very low114 Ų114130.5 Ų130.580%0.79779%0.789SS**  trans-100.8175.9160.3-32.20000108.7
434P43.7Very low40.6Very low121 Ų121127.2 Ų127.279%0.78677%0.772SS**  -151.7173.753.341.6-19.7000118.8
435A31.1Very low41Very low84 Ų84128.7 Ų128.769%0.69477%0.769SS**  trans33.1117.1146.100000123.2
436M39Very low42.3Very low183 Ų183127.1 Ų127.190%0.90176%0.756SS**  trans64.1112.8133.2-58.7-61.5100.800121.3
437S28Very low44.4Very low110 Ų110123.6 Ų123.677%0.76974%0.739SS**  trans-145149.6147.2-173.90000110.3
438A40.2Very low46.7Very low100 Ų100123.9 Ų123.983%0.82673%0.725SS**  trans-86.6113-170.100000112.7
439H35.7Very low48.8Very low181 Ų181127.7 Ų127.784%0.83872%0.721SS**PPolyproline II helixtrans-89.1129.6175-85.9-93.3000112.9
440K42.4Very low49.4Very low205 Ų205126.4 Ų126.489%0.89171%0.708SS**PPolyproline II helixtrans-65.7132.6174.2-62.1-176179.2-176.50110.1
441R44.1Very low50.4Low240 Ų240127 Ų12791%0.90670%0.701SS**PPolyproline II helixtrans-77.1131.9172.4-146.2175.7-159.3157.44.9109.4
442T51.2Low52.3Low124 Ų124125.6 Ų125.676%0.76169%0.686SS**PPolyproline II helixtrans-65.3139166.746.50000109.7
443P53Low54.2Low108 Ų108124 Ų12470%0.70167%0.666SS**PPolyproline II helixtrans-65.2144.7177.828.1-34.6000111D447P443-D447 HydrophobicContact CB-CB 4.1Å
444S70Confident55.8Low67 Ų67122.6 Ų122.647%0.46965%0.653SS.*PPolyproline II helixtrans-74160.4173.9-172.80000111.2A446 D447 R448S444-A446 PolarHBondContact O-N 2.96Å; S444-A446 PolarHBondContact OG-N 2.93Å; S444-D447 WeakPolarHBondContact CB-OD2 3.41Å; S444-D447 PolarHBondContact N-OD2 3.17Å; S444-D447 WeakPolarHBondContact O-CB 3.25Å; S444-D447 PolarHBondContact O-N 2.93Å; S444-R448 PolarHBondContact O-N 3.44Å
445E60.9Low56.4Low143 Ų143123.4 Ų123.467%0.66864%0.644SS**Hα-helixtrans-59.8-30.2169.2-174161.6-157.600111.6R448 W449E445-R448 PolarHBondContact O-N 2.79Å; E445-W449 PolarHBondContact O-N 2.88Å
446A57.2Low57.3Low57 Ų57123.9 Ų123.947%0.47164%0.642SS.*Hα-helixtrans-64.6-39.9170.700000112.9S444 W449 L450S444-A446 PolarHBondContact O-N 2.96Å; S444-A446 PolarHBondContact OG-N 2.93Å; A446-W449 PolarHBondContact O-N 3.18Å; A446-L450 WeakPolarHBondContact O-CB 3.35Å; A446-L450 VanDerWaalsContact O-CG 3.3Å; A446-L450 WeakPolarHBondContact O-CG 3.48Å; A446-L450 PolarHBondContact O-N 3.11Å
447D73.3Confident57.7Low84 Ų84121 Ų12145%0.44963%0.634SS.*Hα-helixtrans-66.3-40.1175.9-60.8-56.1000110.6P443 S444 W449 L450 E451P443-D447 HydrophobicContact CB-CB 4.1Å; S444-D447 WeakPolarHBondContact CB-OD2 3.41Å; S444-D447 PolarHBondContact N-OD2 3.17Å; S444-D447 WeakPolarHBondContact O-CB 3.25Å; S444-D447 PolarHBondContact O-N 2.93Å; D447-W449 VanDerWaalsContact C-N 3.34Å; D447-W449 PolarHBondContact O-N 2.9Å; D447-L450 PolarHBondContact O-N 3.28Å; D447-E451 PolarHBondContact O-N 2.8Å
448R76.6Confident58.6Low146 Ų146125.6 Ų125.655%0.55164%0.635SS**Hα-helixtrans-61-43.7174.7-160.1-16982.6-143.4-4.5111.3S444 E445 E451 E452S444-R448 PolarHBondContact O-N 3.44Å; E445-R448 PolarHBondContact O-N 2.79Å; R448-E451 PolarHBondContact O-N 3.11Å; R448-E452 WeakPolarHBondContact O-CB 3.49Å; R448-E452 PolarHBondContact O-N 3.01Å
449W72.2Confident58.3Low162 Ų162126.6 Ų126.661%0.61463%0.63SS**Hα-helixtrans-66.5-39.9177.7-172.777.2000112.5E445 A446 D447 E452 V453E445-W449 PolarHBondContact O-N 2.88Å; A446-W449 PolarHBondContact O-N 3.18Å; D447-W449 VanDerWaalsContact C-N 3.34Å; D447-W449 PolarHBondContact O-N 2.9Å; W449-E452 PolarHBondContact O-N 3.22Å; W449-V453 HydrophobicContact CD2-CG2 4.11Å; W449-V453 HydrophobicContact CE3-CG2 4.36Å; W449-V453 HydrophobicContact CH2-CG2 4.18Å; W449-V453 HydrophobicContact CZ2-CG2 3.91Å; W449-V453 HydrophobicContact CZ3-CG2 4.4Å; W449-V453 WeakPolarHBondContact O-CG2 3.11Å; W449-V453 PolarHBondContact O-N 3.33Å
450L73.3Confident58.3Low95 Ų95123.6 Ų123.650%0.49763%0.627SS.*Hα-helixtrans-64.3-39.3174.1-72.2169.7000112.1A446 D447 T454A446-L450 WeakPolarHBondContact O-CB 3.35Å; A446-L450 VanDerWaalsContact O-CG 3.3Å; A446-L450 WeakPolarHBondContact O-CG 3.48Å; A446-L450 PolarHBondContact O-N 3.11Å; D447-L450 PolarHBondContact O-N 3.28Å; L450-T454 VanDerWaalsContact O-CB 3.24Å; L450-T454 WeakPolarHBondContact O-CB 3.45Å; L450-T454 PolarHBondContact O-N 2.66Å; L450-T454 PolarHBondContact O-OG1 3.25Å
451E71.9Confident57.7Low114 Ų114123 Ų12353%0.53363%0.627SS.*Hα-helixtrans-63.8-40.7170.2-92.4-154.7-161.300112.6D447 R448 T454 K455D447-E451 PolarHBondContact O-N 2.8Å; R448-E451 PolarHBondContact O-N 3.11Å; E451-T454 PolarHBondContact O-N 2.95Å; E451-K455 WeakPolarHBondContact O-CB 3.35Å; E451-K455 VanDerWaalsContact O-CG 3.32Å; E451-K455 WeakPolarHBondContact O-CG 3.44Å; E451-K455 PolarHBondContact O-N 3.1Å; E451-K455 IonicContact OE2-NZ 2.61Å; E451-K455 PolarHBondContact OE2-NZ 2.96Å
452E70.1Confident57.1Low105 Ų105116.8 Ų116.849%0.49162%0.621SS.*Hα-helixtrans-63.6-47.9-179.7-161.2171.1147.800110.8R448 W449 T454 K455 S456R448-E452 WeakPolarHBondContact O-CB 3.49Å; R448-E452 PolarHBondContact O-N 3.01Å; W449-E452 PolarHBondContact O-N 3.22Å; E452-T454 PolarHBondContact O-N 3.4Å; E452-K455 PolarHBondContact O-N 3.34Å; E452-S456 PolarHBondContact O-N 3.17Å; E452-S456 PolarHBondContact O-OG 3.29Å; E452-S456 VanDerWaalsContact O-OG 3.05Å
453V67.6Low56Low62 Ų62120.2 Ų120.238%0.37663%0.625SS.*Hα-helixtrans-61.5-43.7172.5173.70000111.6W449 K455 S456 V457W449-V453 HydrophobicContact CD2-CG2 4.11Å; W449-V453 HydrophobicContact CE3-CG2 4.36Å; W449-V453 HydrophobicContact CH2-CG2 4.18Å; W449-V453 HydrophobicContact CZ2-CG2 3.91Å; W449-V453 HydrophobicContact CZ3-CG2 4.4Å; W449-V453 WeakPolarHBondContact O-CG2 3.11Å; W449-V453 PolarHBondContact O-N 3.33Å; V453-K455 VanDerWaalsContact C-N 3.34Å; V453-K455 PolarHBondContact O-N 3.42Å; V453-S456 PolarHBondContact O-N 3.25Å; V453-V457 WeakPolarHBondContact O-CG2 3.36Å; V453-V457 PolarHBondContact O-N 2.99Å
454T71.3Confident55.1Low84 Ų84121.1 Ų121.152%0.51563%0.631SS.*Hα-helixtrans-66.7-34.5-179.9-580000112.2L450 E451 E452 R458L450-T454 VanDerWaalsContact O-CB 3.24Å; L450-T454 WeakPolarHBondContact O-CB 3.45Å; L450-T454 PolarHBondContact O-N 2.66Å; L450-T454 PolarHBondContact O-OG1 3.25Å; E451-T454 PolarHBondContact O-N 2.95Å; E452-T454 PolarHBondContact O-N 3.4Å; T454-R458 PolarHBondContact O-N 3.12Å
455K54.5Low53.1Low138 Ų138126.8 Ų126.860%0.665%0.652SS**Hα-helixtrans-68.3-43171.6-78.8162.5173.6157.20111.3E451 E452 V453 V457 R458E451-K455 WeakPolarHBondContact O-CB 3.35Å; E451-K455 VanDerWaalsContact O-CG 3.32Å; E451-K455 WeakPolarHBondContact O-CG 3.44Å; E451-K455 PolarHBondContact O-N 3.1Å; E451-K455 IonicContact OE2-NZ 2.61Å; E451-K455 PolarHBondContact OE2-NZ 2.96Å; E452-K455 PolarHBondContact O-N 3.34Å; V453-K455 VanDerWaalsContact C-N 3.34Å; V453-K455 PolarHBondContact O-N 3.42Å; K455-V457 PolarHBondContact O-N 2.85Å; K455-R458 PolarHBondContact O-N 3.31Å
456S49.8Very low51.7Low93 Ų93124.6 Ų124.665%0.6566%0.658SS**Hα-helixtrans-61.8-28.3175.4-61.40000113.6E452 V453E452-S456 PolarHBondContact O-N 3.17Å; E452-S456 PolarHBondContact O-OG 3.29Å; E452-S456 VanDerWaalsContact O-OG 3.05Å; V453-S456 PolarHBondContact O-N 3.25Å
457V48.1Very low50.6Low123 Ų123127 Ų12775%0.74568%0.678SS**THydrogen-bonded Turntrans-80.4-13.9175.4169.80000113V453 K455V453-V457 WeakPolarHBondContact O-CG2 3.36Å; V453-V457 PolarHBondContact O-N 2.99Å; K455-V457 PolarHBondContact O-N 2.85Å
458R46.8Very low48.5Very low206 Ų206127 Ų12778%0.77770%0.699SS**  trans-112.169.4-177.1-165.8177-70.4-167.6-1.4113.2T454 K455T454-R458 PolarHBondContact O-N 3.12Å; K455-R458 PolarHBondContact O-N 3.31Å
459V33.6Very low46.2Very low121 Ų121123.9 Ų123.973%0.73371%0.712SS**  trans-77.4138.1159.2179.60000109Q461V459-Q461 PolarHBondContact O-N 3.24Å
460P37.1Very low44.4Very low118 Ų118122.8 Ų122.877%0.76672%0.723SS**  trans-66.9125.6179.6-20.332.9000112.5S462P460-S462 PolarHBondContact O-N 3.5Å
461Q29.9Very low42.6Very low193 Ų193124 Ų12490%0.90274%0.737SS**  trans-69.8109.5169.2-176.1179.77.500109.3V459V459-Q461 PolarHBondContact O-N 3.24Å
462S30.7Very low41Very low110 Ų110124.1 Ų124.177%0.76975%0.747SS**PPolyproline II helixtrans-69.6134.7174.446.50000110.9P460P460-S462 PolarHBondContact O-N 3.5Å
463K29Very low39.8Very low196 Ų196125.2 Ų125.285%0.85276%0.763SS**PPolyproline II helixtrans-92.5128179.3-167176.1-176.2-179.80108.9
464P32.6Very low38.3Very low126 Ų126129.7 Ų129.782%0.81878%0.78SS**PPolyproline II helixtrans-69.4145.1176.929.6-34.5000110.5
465M29.1Very low36.9Very low187 Ų187131.7 Ų131.792%0.92180%0.795SS**  trans-132.3130.6174.1-162.316981.700109.5
466A31.6Very low35.8Very low96 Ų96134.1 Ų134.179%0.79381%0.806SS**  trans-80.6163.8177.500000111.5
467A33.9Very low34.9Very low108 Ų108134.7 Ų134.789%0.89382%0.816SS**  trans-90.6154.9-177.400000113.2
468G29Very low34Very low85 Ų85133.4 Ų133.488%0.87682%0.818SS**  trans143.9123.1166.500000113.7
469G28.9Very low34.5Very low80 Ų80129.3 Ų129.383%0.82582%0.818SS**  trans144.9116172.900000113.8
470T34.3Very low34.4Very low138 Ų138129.5 Ų129.585%0.84782%0.82SS**  trans-98.6152179.243.80000112.7
471P34.1Very low34.1Very low121 Ų121132.4 Ų132.479%0.78682%0.823SS**  trans-117.6134.8166.736.7-26.5000113.8
472P38.7Very low34.2Very low116 Ų116129.3 Ų129.375%0.75382%0.817SS**  trans-110-173155.842.5-32.8000109.9
473P44.8Very low35.1Very low128 Ų128129.3 Ų129.383%0.83182%0.815SS**  -115.3-174.3-93.929.6-9.8000114.3
474Q37.6Very low35.4Very low156 Ų156128.1 Ų128.173%0.72981%0.814SS**  trans-74.7175.3-178-61-167.9-23.200114.3
475P40.4Very low35.6Very low127 Ų127126.2 Ų126.283%0.82581%0.809SS**  -134.7169.7107.638.8-30.5000116.4
476F32.5Very low36.6Very low188 Ų188123.2 Ų123.283%0.82580%0.803SS**  trans-81157.2178.5-95.4-127.7000114.2
477A30Very low36.8Very low105 Ų105124.6 Ų124.687%0.86880%0.801SS**  trans-170.2158.5136.800000113.3
478A29Very low37.7Very low96 Ų96125.1 Ų125.179%0.79380%0.796SS**  trans-163-178.2169.300000108.3
479P58.6Low38.3Very low120 Ų120126.9 Ų126.978%0.77979%0.79SS**  cis-112.6-157.5-40.439.4-24.7000110.3
480V31.2Very low38.8Very low126 Ų126129 Ų12976%0.76479%0.786SS**  trans166.9123142.6151.90000115
481H31Very low39.9Very low178 Ų178127.6 Ų127.682%0.82478%0.779SS**  trans48.1171145.1-65.5-98.1000126.8
482T30.8Very low39.9Very low129 Ų129127.6 Ų127.679%0.79178%0.777SS**  trans-108.6-167.9-167.448.40000111.8
483P49.8Very low40Very low110 Ų110128.5 Ų128.571%0.71478%0.78SS**  cis-154.5-179.119.546.1-22.9000122.6
484M34.9Very low40.8Very low171 Ų171127.7 Ų127.784%0.84278%0.775SS**  trans76.7120.9140.2-91.4175.562.800127.8
485A36.3Very low40.8Very low85 Ų85129.9 Ų129.970%0.70278%0.783SS**  67.6165.1127.600000122
486P50.3Low40.7Very low125 Ų125131.2 Ų131.281%0.81278%0.779SS**  cis-128.5-161.7143.1-25.5000116.3
487V35.9Very low41.6Very low124 Ų124127.6 Ų127.675%0.75278%0.775SS**  trans-135.5169.2-172.1-67.80000114.3V489V487-V489 HydrophobicContact CG2-CG2 4.39Å
488P53.5Low41.8Very low119 Ų119126.9 Ų126.977%0.77376%0.763SS**  -127.2141.6118.5418000112.9
489V40.7Very low42.4Very low123 Ų123129.9 Ų129.975%0.74577%0.765SS**  72.8125.254.6170.30000110.9V487V487-V489 HydrophobicContact CG2-CG2 4.39Å
490V40.6Very low42Very low125 Ų125129.1 Ų129.176%0.75876%0.76SS**  cis-171.3179.1-1.971.80000106.7
491P57.4Low42.9Very low107 Ų107128.4 Ų128.470%0.69576%0.759SS**  cis-116-141.11.524.43.9000112.3
492T34Very low43.5Very low121 Ų121125.3 Ų125.374%0.74275%0.754SS**  cis-159.3157.912.5-32.90000112.6
493V41.1Very low44Very low135 Ų135125.6 Ų125.682%0.81876%0.755SS**  trans-154.8-178.9179.9-73.20000109.2
494P60.3Low43.4Very low112 Ų112125.7 Ų125.773%0.72776%0.756SS**  cis-138.1177.70.544.4-27.5000117.1
495F38.9Very low43.6Very low202 Ų202126.6 Ų126.689%0.88676%0.76SS**  trans-159137.4130.6-130.8-84.7000112.1
496M37.6Very low43.6Very low154 Ų154128.3 Ų128.376%0.75976%0.762SS**  trans-159.6156.1178.3-85.5-162.37300110
497P51.3Low43.5Very low113 Ų113127.6 Ų127.673%0.73476%0.758SS**  -145.5131.596.632.4-13.2000114.2
498S35.2Very low43.7Very low89 Ų89127.9 Ų127.962%0.62276%0.762SS**  87.215986.794.30000114
499L41.5Very low42.7Very low159 Ų159133.1 Ų133.183%0.83277%0.766SS**  cis-139.9-112.4-0.7-162.273.2000113.3
500P48.9Very low42.6Very low104 Ų104136.3 Ų136.368%0.67577%0.773SS**  trans-133-149.8-162.844.3-20.6000114.6
501P51.7Low42.1Very low112 Ų112138.7 Ų138.773%0.72778%0.775SS**  -119.8-164.1-6131.4-9.3000111.3
502P43.7Very low41Very low113 Ų113139.9 Ų139.973%0.73478%0.781SS**  cis-138.1-177.14.937.8-15.1000118.3
503V40.8Very low40.8Very low134 Ų134143.8 Ų143.881%0.81279%0.788SS**  trans75.7121.8164.6-1620000118.2
504P36.8Very low40.5Very low112 Ų112145.1 Ų145.173%0.72779%0.785SS**  trans-96149.4175.236.9-33000113.9
505M38Very low39.7Very low190 Ų190145.3 Ų145.394%0.93679%0.786SS**  trans-93.7136.3162-81.7-166.871.900111.5
506V37.6Very low39.7Very low121 Ų121141.6 Ų141.673%0.73378%0.783SS**  trans-120.8137.4172.3175.10000108.2
507P47.9Very low39.6Very low111 Ų111138.6 Ų138.672%0.72178%0.782SS**PPolyproline II helixtrans-80.3146.8-173.731.3-36000113.6
508P39.3Very low39.3Very low129 Ų129139 Ų13984%0.83879%0.785SS**PPolyproline II helixtrans-77151.3167.3-6.623.7000112.2
509R32.4Very low39.2Very low229 Ų229139.9 Ų139.986%0.86480%0.798SS**PPolyproline II helixtrans-81.5162.2176-70.7175.5130.5101.8-4.3112.5
510Q40Very low38.6Very low190 Ų190136.6 Ų136.689%0.88879%0.788SS**PPolyproline II helixtrans-60.5144.1158.9-61.3175.5-59.800110.7
511H30.2Very low37.9Very low175 Ų175141 Ų14181%0.8179%0.793SS**  trans-140.3137.6153.8-92.2-85.8000110.2
512T33.1Very low37.8Very low133 Ų133141.5 Ų141.582%0.81680%0.796SS**  trans-63.7139.7172.4-51.70000110.5
513F29.8Very low37.5Very low202 Ų202140.9 Ų140.989%0.88679%0.79SS**  trans-138.9152.7160.5-127-89.8000111.6
514Q36.1Very low37.1Very low164 Ų164139.5 Ų139.577%0.76679%0.786SS**  trans-113.7134.7-166.3-170.8171.3-54.300109.6
515P43.4Very low36.8Very low115 Ų115142 Ų14275%0.74779%0.793SS**PPolyproline II helixtrans-71.7131.8176.528.7-33000110.6
516P39Very low36.5Very low124 Ų124136.1 Ų136.181%0.80578%0.782SS**PPolyproline II helixtrans-78.2165.3174.132.8-35000112.2
517A35Very low36.6Very low91 Ų91138.2 Ų138.275%0.75279%0.788SS**PPolyproline II helixtrans-72.3153.2177.900000112.8
518P43.7Very low35.8Very low121 Ų121138.9 Ų138.979%0.78679%0.792SS**PPolyproline II helixtrans-70.5147172.630.3-35.1000112.2
519A34.2Very low35.4Very low108 Ų108142 Ų14289%0.89379%0.793SS**PPolyproline II helixtrans-79.2167.4172.600000112.3
520S28.5Very low35.7Very low90 Ų90136.2 Ų136.263%0.62979%0.785SS**  trans-132.4136.8-157.5-81.40000116
521Y34.6Very low35.4Very low198 Ų198136 Ų13678%0.77678%0.784SS**  trans66164.1147.4-60.8-44.3000118V523Y521-V523 HydrophobicContact CD1-CG2 4.13Å; Y521-V523 HydrophobicContact CG-CG2 3.98Å
522P49.1Very low35.6Very low122 Ų122133 Ų13379%0.79278%0.78SS**  cis-89.4151.521.3-1.823.9000114.8
523V37.5Very low35.6Very low100 Ų100132.4 Ų132.461%0.60678%0.781SS**  cis84.4113.839.7177.50000111.8Y521Y521-V523 HydrophobicContact CD1-CG2 4.13Å; Y521-V523 HydrophobicContact CG-CG2 3.98Å
524S32.1Very low35.9Very low105 Ų105128.3 Ų128.373%0.73477%0.773SS**  -158.4144.381.1-60.80000116.1
525N32.2Very low36Very low163 Ų163125.1 Ų125.187%0.87277%0.766SS**  trans23.9139.2149.9-55.9-5.8000122.1
526G30.8Very low35.8Very low68 Ų68126.6 Ų126.670%0.70177%0.773SS**  cis170.1179.3-2.500000115.1
527L38.8Very low35.7Very low165 Ų165129.3 Ų129.386%0.86477%0.772SS**  trans64.5106174.4-57.8-178.8000119.3
528P31.2Very low35.8Very low125 Ų125128.8 Ų128.881%0.81278%0.775SS**  trans-106.7138.8150.235.2-26.7000112
529F32.3Very low35.4Very low195 Ų195130.2 Ų130.286%0.85578%0.775SS**PPolyproline II helixtrans-96.8160.3167.2-106.9-111.9000111.2
530P37.8Very low35.9Very low106 Ų106130.1 Ų130.169%0.68876%0.763SS**PPolyproline II helixtrans-90151.9-151.334-36.2000115.8
531Q34.7Very low36.5Very low186 Ų186132.4 Ų132.487%0.86978%0.776SS**PPolyproline II helixtrans-80.3123.4160.1-77.9-82.6-40.500109.7S533Q531-S533 PolarHBondContact O-N 3.24Å
532P33.8Very low36.9Very low112 Ų112127.9 Ų127.973%0.72777%0.773SS**  trans-78.2110.3176.130.1-32.4000111.2
533S33.7Very low37Very low121 Ų121130.4 Ų130.485%0.84677%0.774SS**  trans-84.6129.2168.4-172.80000110.1Q531Q531-S533 PolarHBondContact O-N 3.24Å
534V36.1Very low37.1Very low116 Ų116134.6 Ų134.670%0.70379%0.79SS**  trans-117.3127.7179.5-176.40000109.1
535P36.7Very low37.7Very low96 Ų96136.7 Ų136.762%0.62380%0.798SS**  trans-72.7130.9-177.128.8-34.4000111.9F537P535-F537 HydrophobicContact CB-CD2 4.48Å; P535-F537 HydrophobicContact CB-CE2 4.49Å; P535-F537 PolarHBondContact O-N 3.08Å
536V39.4Very low38.2Very low147 Ų147133.2 Ų133.289%0.89179%0.791SS**  trans-75.4104.1174.6179.20000109.8
537F36.6Very low38.4Very low181 Ų181137.8 Ų137.879%0.79480%0.8SS**  trans-92.8145.9162.9-89.4-94.4000110.7P535P535-F537 HydrophobicContact CB-CD2 4.48Å; P535-F537 HydrophobicContact CB-CE2 4.49Å; P535-F537 PolarHBondContact O-N 3.08Å
538G37.6Very low38.5Very low79 Ų79136.3 Ų136.381%0.81480%0.797SS**  trans-74.3140.4-172.500000113.8
539I35.8Very low38.5Very low151 Ų151140.3 Ų140.377%0.77480%0.802SS**  trans-105.6123.6175.6-56176000108.7
540T43.9Very low38.4Very low107 Ų107134.5 Ų134.566%0.65680%0.798SS**  trans-84.3160.7175.543.30000111.8S542T540-S542 PolarHBondContact O-N 3.49Å
541P41.3Very low38.1Very low137 Ų137135.9 Ų135.989%0.8981%0.81SS**THydrogen-bonded Turntrans-72.832.4-164.2-20.835.8000117.6
542S44Very low38.1Very low104 Ų104131.1 Ų131.173%0.72780%0.802SS**THydrogen-bonded Turntrans-126.511.9-166.6-550000115.6T540T540-S542 PolarHBondContact O-N 3.49Å
543Q50.7Low37.8Very low174 Ų174133 Ų13381%0.81381%0.812SS**  trans-130.354.5-179.2-69-172-15.800113.7
544M40.1Very low37.7Very low188 Ų188136.3 Ų136.393%0.92681%0.814SS**  trans-134.647.2165.8-75.4-158-66.100112.4
545V44.8Very low38.1Very low150 Ų150135.3 Ų135.391%0.90981%0.81SS**  trans-136.667.1170.3-170.80000110.1
546A41.5Very low37.7Very low89 Ų89138.7 Ų138.774%0.73682%0.818SS**  trans-172.793.3161.900000110
547N36.5Very low37.9Very low164 Ų164135.4 Ų135.488%0.87780%0.799SS**  trans16858.8150.8-91.3-0.7000112.4
548V39.7Very low37.5Very low134 Ų134135.3 Ų135.381%0.81280%0.799SS**  trans-145.493.2160-176.80000108.4
549F31.2Very low36.8Very low209 Ų209138.5 Ų138.592%0.91780%0.796SS**  trans172.4136.6137.7-113.7-85.6000112.5
550G31.6Very low36.8Very low74 Ų74137.9 Ų137.976%0.76379%0.793SS**  trans78.2147.2167.800000116.4
551S30.8Very low36.2Very low134 Ų134138.9 Ų138.994%0.93780%0.801SS**  cis-153.1177.7-13.4-158.10000110.8
552A33.4Very low35.7Very low86 Ų86136.4 Ų136.471%0.71179%0.793SS**  trans-100166.1-164.800000115.9
553T29.5Very low35Very low153 Ų153138.4 Ų138.494%0.93980%0.8SS**  trans-160.7175.5152.3-3.40000112.7
554Q29.8Very low34Very low189 Ų189134.5 Ų134.588%0.88380%0.798SS**  trans-108.9-171.9-162-111.3-152.6-15.700114
555P45.6Very low33.5Very low95 Ų95132 Ų13262%0.61779%0.793SS**  trans-124.1-177-145.546.9-36.7000118
556Q28.2Very low32.9Very low168 Ų168132.6 Ų132.679%0.78579%0.788SS**  trans71.9167.7164.2-63-64.3-13.300116.8
557P44.2Very low33.1Very low77 Ų77133.5 Ų133.550%0.579%0.786SS.*  cis-130.6-154.9-1721.14.7000113.6
558F27Very low33Very low180 Ų180133.4 Ų133.479%0.78978%0.78SS**  trans88.1150.7161.2-47-53.4000118.4
559L24.4Very low32.5Very low145 Ų145133.1 Ų133.176%0.75978%0.779SS**  cis-159.4179.7-25-117.2170000111.3
560I33.8Very low32.3Very low139 Ų139126.4 Ų126.471%0.71377%0.769SS**  trans-87.3154.6-176-53.7155.8000112.2A562I560-A562 HydrophobicContact CG2-CB 4.35Å
561P32.9Very low32.1Very low127 Ų127130.4 Ų130.483%0.82577%0.773SS**  trans-130.8165.2131.738-29.9000113.4
562A30.2Very low32.2Very low86 Ų86128.7 Ų128.771%0.71177%0.767SS**  trans-147155.2-161.900000116.1I560I560-A562 HydrophobicContact CG2-CB 4.35Å
563V29.7Very low32Very low146 Ų146134 Ų13489%0.88578%0.777SS**  trans59.8111.5151.6176.30000120.4
564A29.4Very low32Very low92 Ų92131.2 Ų131.276%0.7677%0.769SS**  trans-168.4157.4148.100000109
565T28.8Very low32Very low134 Ų134130.1 Ų130.182%0.82277%0.768SS**  cis-160.3157.7-27.9-79.70000107.3
566M32Very low31.2Very low163 Ų163132.7 Ų132.780%0.80378%0.776SS**  trans-110.6152.3178.9-104.3-72.1165.800111.4
567P46.1Very low31.3Very low108 Ų108131.3 Ų131.370%0.70177%0.774SS**  -154.9152.38239.2-19.5000119.3
568Q34.1Very low30.5Very low162 Ų162133.1 Ų133.176%0.75778%0.784SS**  trans64.1142143-62.6-80.948.800118.8
569T29.1Very low30.7Very low128 Ų128129.9 Ų129.979%0.78578%0.783SS**  cis-151.3157.51.9-32.20000108.8
570G28.4Very low31.7Very low68 Ų68129.1 Ų129.170%0.70179%0.787SS**  trans153.492162.200000117.3
571D27.7Very low31.5Very low159 Ų159132.7 Ų132.785%0.8579%0.793SS**  trans1.4167.5161.7-70.4-77.7000126
572A32.4Very low31.5Very low98 Ų98134.1 Ų134.181%0.8179%0.792SS**  trans83108.4166.700000118.4
573Q29Very low31.5Very low197 Ų197139.3 Ų139.392%0.92180%0.799SS**  trans-80.6122.6173.4-64.3-175.9-70.900110.4
574A30.3Very low31.8Very low94 Ų94136.5 Ų136.578%0.77779%0.791SS**  83110.984.600000114.5
575I28.4Very low32Very low167 Ų167138.4 Ų138.486%0.85680%0.796SS**  trans-119.7116.1169.3-57.7172.3000107.4
576N30Very low32.3Very low148 Ų148136.3 Ų136.379%0.79179%0.792SS**  trans-171.8131.4164.9-106.7-27.9000112.4
577N28.7Very low32.8Very low139 Ų139134.7 Ų134.774%0.74379%0.794SS**  139.4126.1126.8-81.7-23.1000118
578V28.6Very low32Very low116 Ų116135.5 Ų135.570%0.70380%0.797SS**  67.5102.3128.3-179.50000120.1
579S31.1Very low31.6Very low111 Ų111136.2 Ų136.278%0.77680%0.8SS**  trans61.3-172132.6-54.60000117.2
580P45.2Very low31.4Very low130 Ų130135.9 Ų135.984%0.84480%0.798SS**  cis-123.8-159.7-11.741.3-24000113.6
581Y29.1Very low31.3Very low214 Ų214141 Ų14184%0.83980%0.803SS**  trans-109.3134.9179.5-160.2-93.9000109.8
582I33.8Very low31.2Very low157 Ų157140.2 Ų140.281%0.80580%0.797SS**  trans167.4115.1141.4-86.8157.5000113.2
583K29.9Very low31Very low194 Ų194143.7 Ų143.784%0.84380%0.797SS**  trans25.599.6142.8-153.4169.1-179.7176.20122.9
584A36.7Very low31.7Very low88 Ų88139.4 Ų139.473%0.72779%0.786SS**  33140.7126.900000124.3
585P32.4Very low32.6Very low131 Ų131139.5 Ų139.585%0.85178%0.779SS**  trans-114.8176.8132.938.2-30.9000113.2
586A36.6Very low32.7Very low91 Ų91139.5 Ų139.575%0.75278%0.781SS**  trans-84.9171.6176.300000113.2
587P41.7Very low32.7Very low129 Ų129136.2 Ų136.284%0.83878%0.781SS**  -149.2-168.4105.941.9-25.7000116
588T28.1Very low32.9Very low124 Ų124141.8 Ų141.876%0.76179%0.792SS**  trans-89.6145.1-170.521.90000117
589E25.8Very low33Very low177 Ų177140.8 Ų140.883%0.82780%0.796SS**  64.2163127.1-149.4174.7-169.600123.3
590V26.2Very low33Very low122 Ų122140 Ų14074%0.73980%0.797SS**  trans95.382159.4-163.90000120.3
591H25.4Very low32.1Very low175 Ų175142.7 Ų142.781%0.8180%0.795SS**  74.3159.2118.6-156.153.3000124.1
592I26.1Very low32.4Very low142 Ų142139.4 Ų139.473%0.72879%0.792SS**  trans99.9123.2164.4-52.4-176.4000120.1
593Q28.8Very low32.2Very low172 Ų172135.4 Ų135.480%0.80479%0.79SS**  trans-31.9179.5159.1-93.3-170.514.900119.7
594P43.4Very low32.4Very low107 Ų107130.3 Ų130.370%0.69578%0.783SS**  cis-141.2-149.923.241.5-18.9000114.2
595P48.2Very low32.2Very low96 Ų96134.2 Ų134.262%0.62379%0.792SS**  cis-126.8170.1-36.921.90.3000115.8
596N31Very low32.1Very low167 Ų167131.7 Ų131.789%0.89379%0.79SS**  trans20.7156.6135.4-48.7-22.8000122.4
597G30.8Very low31.6Very low78 Ų78140.1 Ų140.180%0.80480%0.803SS**  cis179.7-178.59.400000113
598R31.2Very low31.1Very low256 Ų256139 Ų13997%0.96680%0.804SS**  trans-112160.1-158-100.3178.4148.7-169.3-4.3118.3
599A31.1Very low31.3Very low96 Ų96137.5 Ų137.579%0.79380%0.804SS**  trans-157.8176.9157.300000107.5
600A31Very low31.6Very low95 Ų95133.9 Ų133.979%0.78580%0.799SS**  cis-176.7154.4-36.100000106.7
601F27.8Very low31.9Very low186 Ų186133.5 Ų133.582%0.81680%0.801SS**  cis-165169.2-19.9-176.6-104.9000108.4
602N33.9Very low32.1Very low145 Ų145130.8 Ų130.878%0.77580%0.802SS**  trans63.8152.4-172.8-71.9-26.4000116
603G29.9Very low32.3Very low73 Ų73131.9 Ų131.975%0.75380%0.804SS**  cis151.7146.8-2.700000109.8
604A33.4Very low32.4Very low86 Ų86134.4 Ų134.471%0.71181%0.808SS**  cis-157.8-163.62.100000111.5
605D33.8Very low31.7Very low170 Ų170133 Ų13391%0.90981%0.814SS**  trans79.2139159.7-52.8-31.1000122.2
606G29Very low30.8Very low79 Ų79137.7 Ų137.781%0.81483%0.827SS**  trans127.182.7162.400000117.6
607W27.6Very low31.2Very low268 Ų268135.4 Ų135.4100%1.01582%0.821SS**  trans-95.5138.3171.5-93.838.2000113.1
608A30.9Very low31.3Very low105 Ų105136 Ų13687%0.86882%0.819SS**  trans-166.5144.9145.100000111.9
609A32Very low31.7Very low92 Ų92130.2 Ų130.276%0.7681%0.814SS**  trans-126.7178.1171.200000108.3
610S32.3Very low31.6Very low102 Ų102129.6 Ų129.671%0.71381%0.809SS**  cis-164.1168.231.4-63.40000112.3
611S32.1Very low31.8Very low113 Ų113133.3 Ų133.379%0.7981%0.81SS**  trans72.4151.7149.876.50000118.2
612S30.1Very low32.2Very low119 Ų119133.5 Ų133.583%0.83281%0.814SS**  cis-134174.25.7-76.50000113.3
613Q29.8Very low32.3Very low164 Ų164134.6 Ų134.677%0.76681%0.814SS**  trans-82.9156.5-174.8-58.5164.2-1000114.1
614Y31.3Very low33.3Very low225 Ų225135.6 Ų135.688%0.88280%0.802SS**  175.4139.9112.9-97.8-68.8000111.9
615G28.3Very low34.2Very low79 Ų79135.5 Ų135.581%0.81480%0.802SS**  trans97.1122.8160.100000118.4
616Q30.6Very low34.6Very low193 Ų193135 Ų13590%0.90279%0.792SS**  trans-95.5173.7160.1-100.8-170.2-22.400109.8
617P38.2Very low35.5Very low119 Ų119138.4 Ų138.477%0.77379%0.786SS**  cis-126.2-170.310.240.1-23000114.9
618A33.9Very low36.6Very low91 Ų91128.6 Ų128.675%0.75276%0.762SS**  trans-80167.2179.500000114
619P37.9Very low37.4Very low134 Ų134130.2 Ų130.287%0.8775%0.752SS**  -134.1-176.6119.739.9-31.4000114.4
620A31Very low38.1Very low84 Ų84134.7 Ų134.769%0.69475%0.749SS**  trans-86.9171.1-163.300000116.4
621Q33.3Very low38.7Very low172 Ų172132.5 Ų132.580%0.80474%0.737SS**  trans19.7109.2151-68.1173.8-99.500118.2E623Q621-E623 PolarHBondContact O-N 2.99Å
622Q37.6Very low39.3Very low190 Ų190130.6 Ų130.689%0.88873%0.729SS**  trans-87.781.3164.2-172.8-178.81.200110.5
623E36.1Very low39.9Very low169 Ų169131.1 Ų131.179%0.7972%0.721SS**  trans-119.8151.6155.3-90.2-175.4122.500109.7Q621Q621-E623 PolarHBondContact O-N 2.99Å
624D50.7Low40.6Very low94 Ų94131 Ų13150%0.50372%0.72SS.*  trans45.9102.5-172.6-169.332.9000118.5F626 E627 A628D624-F626 PolarHBondContact OD1-N 3.23Å; D624-E627 PolarHBondContact OD1-N 3.12Å; D624-E627 WeakPolarHBondContact OD2-CB 3.49Å; D624-A628 PolarHBondContact OD2-N 3.35Å
625A51Low41Very low84 Ų84126.7 Ų126.769%0.69471%0.713SS**SBendtrans-122.524.316300000111.8
626F43.2Very low41.3Very low159 Ų159132.9 Ų132.970%0.69771%0.712SS**SBendtrans-128.9-43.7-172.6-168.3-101.8000113D624 Q629 W630D624-F626 PolarHBondContact OD1-N 3.23Å; F626-Q629 WeakPolarHBondContact O-CB 3.38Å; F626-Q629 PolarHBondContact O-N 3.11Å; F626-Q629 VanDerWaalsContact O-N 3.12Å; F626-W630 PolarHBondContact O-N 3.37Å
627E47.5Very low41.6Very low151 Ų151129.4 Ų129.471%0.70671%0.706SS**Hα-helixtrans-66.9-41.3176-134166.5119.100110.4D624 Q629 W630 A631D624-E627 PolarHBondContact OD1-N 3.12Å; D624-E627 WeakPolarHBondContact OD2-CB 3.49Å; E627-Q629 PolarHBondContact O-N 2.82Å; E627-W630 WeakPolarHBondContact O-CB 3.12Å; E627-W630 PolarHBondContact O-N 3.3Å; E627-A631 PolarHBondContact O-N 2.77Å; E627-A631 VanDerWaalsContact O-N 3.11Å
628A51.9Low41.5Very low61 Ų61132.7 Ų132.750%0.50471%0.711SS.*Hα-helixtrans-55.9-31.616900000114.2D624 W630 A632D624-A628 PolarHBondContact OD2-N 3.35Å; A628-W630 VanDerWaalsContact C-N 3.31Å; A628-A632 PolarHBondContact O-N 3Å
629Q47Very low41.5Very low140 Ų140137.6 Ų137.665%0.65472%0.718SS**Hα-helixtrans-76.8-20.4177.4-165.1171.511.700112.3F626 E627F626-Q629 WeakPolarHBondContact O-CB 3.38Å; F626-Q629 PolarHBondContact O-N 3.11Å; F626-Q629 VanDerWaalsContact O-N 3.12Å; E627-Q629 PolarHBondContact O-N 2.82Å
630W46.3Very low41.2Very low185 Ų185141.8 Ų141.870%0.70172%0.716SS**Hα-helixtrans-80-48.2173.5-148.3-117.3000111.2F626 E627 A628 A632 L633F626-W630 PolarHBondContact O-N 3.37Å; E627-W630 WeakPolarHBondContact O-CB 3.12Å; E627-W630 PolarHBondContact O-N 3.3Å; A628-W630 VanDerWaalsContact C-N 3.31Å; W630-A632 PolarHBondContact O-N 3.17Å; W630-L633 WeakPolarHBondContact O-CB 3.48Å; W630-L633 PolarHBondContact O-N 3.32Å
631A44.2Very low41.4Very low56 Ų56144.4 Ų144.446%0.46372%0.724SS.*Hα-helixtrans-59.6-28.1177.700000113.8E627 L633 N635E627-A631 PolarHBondContact O-N 2.77Å; E627-A631 VanDerWaalsContact O-N 3.11Å; A631-L633 VanDerWaalsContact C-N 3.29Å; A631-L633 PolarHBondContact O-N 3.42Å; A631-N635 PolarHBondContact O-ND2 3.43Å
632A45.9Very low41.4Very low74 Ų74142.2 Ų142.261%0.61272%0.722SS**Hα-helixtrans-71.6-16.117600000114.4A628 W630A628-A632 PolarHBondContact O-N 3Å; W630-A632 PolarHBondContact O-N 3.17Å
633L42.8Very low41.8Very low129 Ų129138.7 Ų138.768%0.67572%0.716SS**Hα-helixtrans-88.7-28.6-175.4-167.262.6000113.4W630 A631 N635W630-L633 WeakPolarHBondContact O-CB 3.48Å; W630-L633 PolarHBondContact O-N 3.32Å; A631-L633 VanDerWaalsContact C-N 3.29Å; A631-L633 PolarHBondContact O-N 3.42Å; L633-N635 VanDerWaalsContact C-N 3.35Å
634E44Very low41.4Very low161 Ų161136.4 Ų136.475%0.75272%0.719SS**Hα-helixtrans-76-20.7-178.9-65.5-173.111400113.5
635N40.1Very low41.1Very low136 Ų136137.4 Ų137.473%0.72773%0.731SS**  trans-104.944.6-167.5-75.8-74.6000114.8A631 L633A631-N635 PolarHBondContact O-ND2 3.43Å; L633-N635 VanDerWaalsContact C-N 3.35Å
636R34.8Very low40.4Very low209 Ų209139.7 Ų139.779%0.78974%0.736SS**  trans-131.5101.2173-160.2175.3-172.5-162.40.9114.6
637P37Very low40.1Very low119 Ų119139.1 Ų139.177%0.77374%0.74SS**  trans-68.2134.6175.528.4-33.9000111.4Q639P637-Q639 PolarHBondContact O-N 3.36Å
638H35.6Very low40.2Very low189 Ų189136.7 Ų136.788%0.87574%0.738SS**  trans-82.6108.9-178.3-87.463000112.1R640H638-R640 PolarHBondContact O-N 3.31Å
639Q33.7Very low39.6Very low194 Ų194142.7 Ų142.791%0.90775%0.753SS**  trans-90.796-179-161.2174.927.700112.1P637P637-Q639 PolarHBondContact O-N 3.36Å
640R32.7Very low39Very low221 Ų221141.9 Ų141.983%0.83476%0.762SS**  trans25.1110150.9-173.9-175.3-66.8-167.9-1.5118.3H638H638-R640 PolarHBondContact O-N 3.31Å
641T34.6Very low38.6Very low139 Ų139139.2 Ų139.285%0.85377%0.767SS**PPolyproline II helixtrans-94.9161143.746.30000110.5
642T33.5Very low38.5Very low126 Ų126145.7 Ų145.777%0.77379%0.787SS**PPolyproline II helixtrans-96.5154.6-168.437.60000114.4
643P44.8Very low38.3Very low117 Ų117150 Ų15076%0.7680%0.799SS**PPolyproline II helixtrans-100172.3-170.939.6-37000114.7
644S28.2Very low38Very low120 Ų120152.7 Ų152.784%0.83981%0.808SS**  trans-139.4154.5156.8-76.50000109.6
645P45.6Very low37.8Very low116 Ų116153 Ų15375%0.75381%0.807SS**  trans-108.6155.4-140.438.1-34.7000116.1
646T34.8Very low37.6Very low132 Ų132152.5 Ų152.581%0.8181%0.809SS**  159.8103.2118.7-65.20000112
647N38Very low37.7Very low146 Ų146150.6 Ų150.678%0.78181%0.806SS**  trans-163.9117.4148.4-167.1-10.3000109.3
648P50Low37.5Very low101 Ų101153.3 Ų153.366%0.65681%0.809SS**  trans-99.920.2-162.538.5-37.2000117.1
649F37.4Very low37.9Very low187 Ų187152 Ų15282%0.8281%0.806SS**  trans-130.655.9-174.8-78.4-73.9000115.7
650S35.8Very low38.2Very low122 Ų122151.4 Ų151.485%0.85380%0.804SS**  trans-141.481.8165.1-78.30000111.6
651T37.8Very low38.7Very low130 Ų130152.6 Ų152.680%0.79883%0.825SS**  trans-140.690.1173.152.80000111.5
652E41Very low38.9Very low192 Ų192153.3 Ų153.390%0.89782%0.824SS**  trans-152.1136.7144.2-15969.1-90.800107
653L42.1Very low39.2Very low163 Ų163154.7 Ų154.785%0.85383%0.827SS**  trans-96.8149.7-166-88.3156.4000113.4K655L653-K655 PolarHBondContact O-N 3.38Å
654H36.6Very low38.9Very low187 Ų187156.8 Ų156.887%0.86683%0.83SS**  trans-58.4126.3164.7-66.6-175.5000109.6
655K39.3Very low39.5Very low167 Ų167158.9 Ų158.973%0.72683%0.83SS**  trans-112.799.1168.7-169.9168.9-176.4174.10109.9L653 F657L653-K655 PolarHBondContact O-N 3.38Å; K655-F657 HydrophobicContact CD-CE2 4.07Å; K655-F657 HydrophobicContact CG-CD2 4.49Å; K655-F657 HydrophobicContact CG-CE2 4.12Å
656T36.6Very low39.1Very low126 Ų126161.6 Ų161.677%0.77384%0.835SS**  trans-57.9135171.5-490000109.9
657F37.5Very low39.4Very low168 Ų168163.6 Ų163.674%0.73784%0.836SS**  trans-117.8123.1159.6-89-83000108.9K655K655-F657 HydrophobicContact CD-CE2 4.07Å; K655-F657 HydrophobicContact CG-CD2 4.49Å; K655-F657 HydrophobicContact CG-CE2 4.12Å
658E32.5Very low39.5Very low177 Ų177164.9 Ų164.983%0.82784%0.84SS**  trans-83.3138.8177.1-175.4175178.800108.9
659I43.8Very low38.7Very low160 Ų160169.8 Ų169.882%0.82186%0.855SS**  trans-115.9118.8173-61.7179.6000107.2
660Q40.8Very low38.8Very low182 Ų182168.3 Ų168.385%0.8586%0.857SS**  trans-79.4145.1178.2-151.8162.820.700110
661L41.7Very low39.1Very low246 Ų246172.5 Ų172.5100%1.28886%0.858SS**  trans-70.40-175-81.3156000113.8

Retrieved 661 of 661 residues in 204.2 ms (Link to these results)