A0A096NT46_PAPAN Loading...

Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6

AlphaFold DB (A0A1U7TTV0), UniProt , Accession A0A096NT46, Species PAPAN (Papio anubis, Olive baboon), Gene JMJD6, Length 414 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M83.7Confident95.1Very high106 Ų10691.7 Ų91.752%0.52241%0.407SS..  0129.90-76.7172.27700111.4S5 K6 I9 E119 S123M1-S5 WeakPolarHBondContact CB-OG 3.39Å; M1-K6 HydrophobicContact CB-CG 4.36Å; M1-K6 HydrophobicContact CE-CG 3.96Å; M1-I9 HydrophobicContact CE-CD1 3.21Å; M1-E119 HydrophobicContact CG-CB 4.38Å; M1-S123 PolarHBondContact SD-OG 3.49Å
2N92.3Very high95.3Very high95 Ų9584.7 Ų84.751%0.50838%0.378SS..  trans-82.4166.3176.86729.2000112.7K4 S5 K6N2-K4 VanDerWaalsContact C-N 3.26Å; N2-K4 PolarHBondContact O-N 2.75Å; N2-K4 PolarHBondContact OD1-N 3.41Å; N2-S5 PolarHBondContact N-OG 2.89Å; N2-S5 PolarHBondContact O-N 3.1Å; N2-S5 PolarHBondContact O-OG 2.82Å; N2-S5 WeakPolarHBondContact OD1-CB 3.27Å; N2-S5 PolarHBondContact OD1-N 3.26Å; N2-S5 PolarHBondContact OD1-OG 3.23Å; N2-K6 PolarHBondContact O-N 3.21Å
3H94.1Very high95.5Very high143 Ų14380.5 Ų80.566%0.66236%0.36SS*.Hα-helixtrans-55.1-37.8-178.1-179-105.8000113.8K6 K7H3-K6 PolarHBondContact O-N 2.85Å; H3-K7 PolarHBondContact O-N 2.66Å
4K94.9Very high95.6Very high121 Ų12188.9 Ų88.953%0.52639%0.387SS..Hα-helixtrans-67.5-38.8-179.4-171.4170.9-176.3166.60112.9N2 K7 R8N2-K4 VanDerWaalsContact C-N 3.26Å; N2-K4 PolarHBondContact O-N 2.75Å; N2-K4 PolarHBondContact OD1-N 3.41Å; K4-K7 PolarHBondContact O-N 3.17Å; K4-R8 WeakPolarHBondContact O-CG 3.25Å; K4-R8 PolarHBondContact O-N 2.93Å; K4-R8 VanDerWaalsContact O-N 3.09Å
5S95.6Very high95.7Very high0 Ų086.5 Ų86.50%039%0.386CS..Hα-helixtrans-61.1-51.1175.565.10000111.1M1 N2 K7 R8 I9 E119M1-S5 WeakPolarHBondContact CB-OG 3.39Å; N2-S5 PolarHBondContact N-OG 2.89Å; N2-S5 PolarHBondContact O-N 3.1Å; N2-S5 PolarHBondContact O-OG 2.82Å; N2-S5 WeakPolarHBondContact OD1-CB 3.27Å; N2-S5 PolarHBondContact OD1-N 3.26Å; N2-S5 PolarHBondContact OD1-OG 3.23Å; S5-K7 VanDerWaalsContact C-N 3.3Å; S5-K7 PolarHBondContact O-N 2.94Å; S5-R8 PolarHBondContact O-N 2.83Å; S5-R8 VanDerWaalsContact O-N 3.13Å; S5-I9 WeakPolarHBondContact O-CG1 3.16Å; S5-I9 PolarHBondContact O-N 2.91Å; S5-E119 WeakPolarHBondContact CB-OE2 3.46Å
6K96.4Very high95.7Very high117 Ų11781.8 Ų81.851%0.50937%0.367SS..Hα-helixtrans-57-40.9176.4-64-175.2179.4-173.40112.2M1 N2 H3 R10M1-K6 HydrophobicContact CB-CG 4.36Å; M1-K6 HydrophobicContact CE-CG 3.96Å; N2-K6 PolarHBondContact O-N 3.21Å; H3-K6 PolarHBondContact O-N 2.85Å; K6-R10 WeakPolarHBondContact O-CG 3.36Å; K6-R10 PolarHBondContact O-N 3.23Å; K6-R10 VanDerWaalsContact O-N 3.13Å
7K97.6Very high95.7Very high97 Ų9778.1 Ų78.142%0.42235%0.35SS..Hα-helixtrans-62.8-46.4176.4-176.2174.4179.2172.50112H3 K4 S5 I9 R10 E11H3-K7 PolarHBondContact O-N 2.66Å; K4-K7 PolarHBondContact O-N 3.17Å; S5-K7 VanDerWaalsContact C-N 3.3Å; S5-K7 PolarHBondContact O-N 2.94Å; K7-I9 VanDerWaalsContact C-N 3.34Å; K7-I9 PolarHBondContact O-N 3.49Å; K7-R10 PolarHBondContact O-N 2.95Å; K7-E11 WeakPolarHBondContact CE-OE1 3.47Å; K7-E11 WeakPolarHBondContact O-CG 3.5Å; K7-E11 PolarHBondContact O-N 2.96Å
8R98Very high95.6Very high93 Ų9375.7 Ų75.735%0.35134%0.343SS..Hα-helixtrans-65.5-36.4-179.1-71.8-72.6171.2-87.34.3112.8K4 S5 E11 A12 Y116K4-R8 WeakPolarHBondContact O-CG 3.25Å; K4-R8 PolarHBondContact O-N 2.93Å; K4-R8 VanDerWaalsContact O-N 3.09Å; S5-R8 PolarHBondContact O-N 2.83Å; S5-R8 VanDerWaalsContact O-N 3.13Å; R8-E11 WeakPolarHBondContact CD-OE2 3.49Å; R8-E11 IonicContact CZ-OE2 3.41Å; R8-E11 IonicContact NE-OE2 3.71Å; R8-E11 IonicContact NH1-OE1 2.93Å; R8-E11 PolarHBondContact NH1-OE1 2.85Å; R8-E11 IonicContact NH1-OE2 2.65Å; R8-E11 PolarHBondContact NH1-OE2 3.45Å; R8-A12 WeakPolarHBondContact O-CB 3.26Å; R8-A12 PolarHBondContact O-N 2.93Å; R8-Y116 HydrophobicContact CB-CD2 4.05Å; R8-Y116 HydrophobicContact CB-CE2 4.35Å; R8-Y116 HydrophobicContact CB-CG 4.47Å; R8-Y116 HydrophobicContact CG-CD2 4.1Å; R8-Y116 HydrophobicContact CG-CE2 3.89Å
9I98.1Very high95.6Very high13 Ų1375.1 Ų75.17%0.06734%0.341CS..Hα-helixtrans-65.5-46.3174.8-67.6160.9000110.5M1 S5 K7 E11 A12 K13 M112 Y120M1-I9 HydrophobicContact CE-CD1 3.21Å; S5-I9 WeakPolarHBondContact O-CG1 3.16Å; S5-I9 PolarHBondContact O-N 2.91Å; K7-I9 VanDerWaalsContact C-N 3.34Å; K7-I9 PolarHBondContact O-N 3.49Å; I9-E11 VanDerWaalsContact C-N 3.34Å; I9-E11 PolarHBondContact O-N 3.45Å; I9-A12 PolarHBondContact O-N 2.91Å; I9-K13 HydrophobicContact CG2-CD 4.32Å; I9-K13 HydrophobicContact CG2-CG 4.38Å; I9-K13 WeakPolarHBondContact O-CB 3.09Å; I9-K13 WeakPolarHBondContact O-CG 3.45Å; I9-K13 PolarHBondContact O-N 3.06Å; I9-M112 HydrophobicContact CG1-CE 4.28Å; I9-M112 HydrophobicContact CG1-SD 3.85Å; I9-Y120 HydrophobicContact CD1-CD2 4.38Å; I9-Y120 HydrophobicContact CG1-CD2 4.49Å; I9-Y120 HydrophobicContact CG2-CD2 3.76Å; I9-Y120 HydrophobicContact CG2-CE2 4.23Å
10R97.5Very high95.6Very high146 Ų14671.7 Ų71.755%0.55133%0.326SS*.Hα-helixtrans-59.8-41.9177-75.1-175.3-68.6147-7.4113.1K6 K7 R14K6-R10 WeakPolarHBondContact O-CG 3.36Å; K6-R10 PolarHBondContact O-N 3.23Å; K6-R10 VanDerWaalsContact O-N 3.13Å; K7-R10 PolarHBondContact O-N 2.95Å; R10-R14 WeakPolarHBondContact O-CB 3.47Å; R10-R14 PolarHBondContact O-N 3.1Å
11E97.6Very high95.5Very high78 Ų7876 Ų7636%0.36434%0.344SS..Hα-helixtrans-62.3-47.3175.4-72165.4179.800111K7 R8 I9 K13 R14 S15K7-E11 WeakPolarHBondContact CE-OE1 3.47Å; K7-E11 WeakPolarHBondContact O-CG 3.5Å; K7-E11 PolarHBondContact O-N 2.96Å; R8-E11 WeakPolarHBondContact CD-OE2 3.49Å; R8-E11 IonicContact CZ-OE2 3.41Å; R8-E11 IonicContact NE-OE2 3.71Å; R8-E11 IonicContact NH1-OE1 2.93Å; R8-E11 PolarHBondContact NH1-OE1 2.85Å; R8-E11 IonicContact NH1-OE2 2.65Å; R8-E11 PolarHBondContact NH1-OE2 3.45Å; I9-E11 VanDerWaalsContact C-N 3.34Å; I9-E11 PolarHBondContact O-N 3.45Å; E11-K13 PolarHBondContact O-N 3.21Å; E11-R14 PolarHBondContact O-N 2.77Å; E11-S15 PolarHBondContact O-N 3.04Å; E11-S15 PolarHBondContact O-OG 3.16Å
12A98Very high95.9Very high7 Ų775.1 Ų75.16%0.05834%0.341CS..Hα-helixtrans-61.6-45.2178.300000112.1R8 I9 R14 S15 A16 V110 M112 L130R8-A12 WeakPolarHBondContact O-CB 3.26Å; R8-A12 PolarHBondContact O-N 2.93Å; I9-A12 PolarHBondContact O-N 2.91Å; A12-R14 PolarHBondContact O-N 2.81Å; A12-S15 PolarHBondContact O-N 3.15Å; A12-A16 WeakPolarHBondContact O-CB 3.47Å; A12-A16 PolarHBondContact O-N 3.33Å; A12-V110 HydrophobicContact CB-CG1 4.07Å; A12-M112 HydrophobicContact CB-SD 4.39Å; A12-L130 HydrophobicContact CB-CD1 4.11Å
13K97.9Very high95.9Very high31 Ų3175.2 Ų75.214%0.13535%0.349CS..Hα-helixtrans-55.8-51.1175.4-77.8-169165.8-161.80112.1I9 E11 S15 A16 R17 W26 D126 L130I9-K13 HydrophobicContact CG2-CD 4.32Å; I9-K13 HydrophobicContact CG2-CG 4.38Å; I9-K13 WeakPolarHBondContact O-CB 3.09Å; I9-K13 WeakPolarHBondContact O-CG 3.45Å; I9-K13 PolarHBondContact O-N 3.06Å; E11-K13 PolarHBondContact O-N 3.21Å; K13-S15 VanDerWaalsContact C-N 3.33Å; K13-S15 PolarHBondContact O-N 3.4Å; K13-A16 PolarHBondContact O-N 2.85Å; K13-R17 PolarHBondContact O-N 2.82Å; K13-W26 HydrophobicContact CB-CH2 3.89Å; K13-W26 HydrophobicContact CB-CZ2 3.35Å; K13-W26 HydrophobicContact CD-CD2 3.77Å; K13-W26 HydrophobicContact CD-CE3 4.03Å; K13-W26 HydrophobicContact CD-CG 4.38Å; K13-W26 HydrophobicContact CD-CH2 4.12Å; K13-W26 HydrophobicContact CD-CZ2 3.84Å; K13-W26 HydrophobicContact CD-CZ3 4.19Å; K13-W26 HydrophobicContact CG-CD2 4.33Å; K13-W26 HydrophobicContact CG-CE3 4.37Å; K13-W26 HydrophobicContact CG-CH2 3.59Å; K13-W26 HydrophobicContact CG-CZ2 3.49Å; K13-W26 VanDerWaalsContact CG-CZ2 3.49Å; K13-W26 HydrophobicContact CG-CZ3 4.03Å; K13-D126 WeakPolarHBondContact CE-OD2 3.36Å; K13-D126 IonicContact NZ-OD1 2.66Å; K13-D126 PolarHBondContact NZ-OD1 3.12Å; K13-D126 IonicContact NZ-OD2 3.66Å; K13-D126 PolarHBondContact NZ-OD2 2.83Å; K13-L130 HydrophobicContact CG-CD1 3.91Å; K13-L130 HydrophobicContact CG-CG 4.33Å
14R96.9Very high96Very high197 Ų19773.5 Ų73.574%0.74335%0.345SS*.Hα-helixtrans-62-40.6-178.6-175.4-176-63.9-170.6-4.5112.5R10 E11 A12 P18R10-R14 WeakPolarHBondContact O-CB 3.47Å; R10-R14 PolarHBondContact O-N 3.1Å; E11-R14 PolarHBondContact O-N 2.77Å; A12-R14 PolarHBondContact O-N 2.81Å; R14-P18 WeakPolarHBondContact O-CA 3.31Å
15S96.6Very high96.1Very high54 Ų5468.4 Ų68.438%0.37832%0.323SS..Hα-helixtrans-73.4-41.6179-660000111.9E11 A12 K13 D104E11-S15 PolarHBondContact O-N 3.04Å; E11-S15 PolarHBondContact O-OG 3.16Å; A12-S15 PolarHBondContact O-N 3.15Å; K13-S15 VanDerWaalsContact C-N 3.33Å; K13-S15 PolarHBondContact O-N 3.4Å; S15-D104 WeakPolarHBondContact O-CA 3.31Å
16A95.7Very high96.2Very high10 Ų1068.9 Ų68.98%0.08333%0.325CS..Hα-helixtrans-75.1-31.6-174.900000113.5A12 K13 E103 V110 L130A12-A16 WeakPolarHBondContact O-CB 3.47Å; A12-A16 PolarHBondContact O-N 3.33Å; K13-A16 PolarHBondContact O-N 2.85Å; A16-E103 WeakPolarHBondContact CA-O 3.33Å; A16-V110 HydrophobicContact CB-CB 4.36Å; A16-V110 HydrophobicContact CB-CG1 4.29Å; A16-V110 HydrophobicContact CB-CG2 4.3Å; A16-L130 HydrophobicContact CB-CD2 3.84Å
17R96Very high96.3Very high20 Ų2065.9 Ų65.98%0.07532%0.317CS..  trans-137.570.2-177.1-57.6-65.2-56.9-74.5-11.3110.1K13 E19 L20 W26 N227 E231K13-R17 PolarHBondContact O-N 2.82Å; R17-E19 VanDerWaalsContact CA-OE2 3.26Å; R17-E19 WeakPolarHBondContact CA-OE2 3.4Å; R17-E19 IonicContact CZ-OE1 2.72Å; R17-E19 IonicContact NE-OE1 3.26Å; R17-E19 PolarHBondContact NE-OE1 3.19Å; R17-E19 IonicContact NE-OE2 3.79Å; R17-E19 IonicContact NH2-OE1 3.71Å; R17-E19 PolarHBondContact NH2-OE1 3.05Å; R17-E19 PolarHBondContact O-N 3.36Å; R17-L20 HydrophobicContact CB-CB 4.39Å; R17-L20 HydrophobicContact CB-CD1 3.82Å; R17-L20 HydrophobicContact CB-CG 3.94Å; R17-L20 HydrophobicContact CG-CD1 4.25Å; R17-L20 PolarHBondContact O-N 3.29Å; R17-L20 VanDerWaalsContact O-N 3.11Å; R17-W26 HydrophobicContact CB-CH2 4.08Å; R17-W26 HydrophobicContact CB-CZ2 3.81Å; R17-W26 HydrophobicContact CG-CH2 3.77Å; R17-W26 HydrophobicContact CG-CZ2 4.05Å; R17-N227 PolarHBondContact NH2-O 2.85Å; R17-E231 IonicContact CZ-OE1 3.12Å; R17-E231 IonicContact NH1-OE1 2.73Å; R17-E231 PolarHBondContact NH1-OE1 2.97Å; R17-E231 IonicContact NH1-OE2 3.63Å; R17-E231 IonicContact NH2-OE1 3.03Å
18P95.1Very high96.3Very high34 Ų3467.7 Ų67.722%0.22132%0.321CS..THydrogen-bonded Turntrans-67.2-15.9-174.423.9-29.4000114.1R14 K21 N105R14-P18 WeakPolarHBondContact O-CA 3.31Å; P18-K21 PolarHBondContact O-NZ 2.68Å; P18-N105 WeakPolarHBondContact CG-OD1 3.49Å
19E95.1Very high96.3Very high64 Ų6466.7 Ų66.730%0.29932%0.32SS..THydrogen-bonded Turntrans-72.7-23.2171.775.5-78.5-165.300113.5R17 N227R17-E19 VanDerWaalsContact CA-OE2 3.26Å; R17-E19 WeakPolarHBondContact CA-OE2 3.4Å; R17-E19 IonicContact CZ-OE1 2.72Å; R17-E19 IonicContact NE-OE1 3.26Å; R17-E19 PolarHBondContact NE-OE1 3.19Å; R17-E19 IonicContact NE-OE2 3.79Å; R17-E19 IonicContact NH2-OE1 3.71Å; R17-E19 PolarHBondContact NH2-OE1 3.05Å; R17-E19 PolarHBondContact O-N 3.36Å; E19-N227 HydrophobicContact CG-CB 4.12Å
20L96.1Very high96.3Very high8 Ų869.3 Ų69.34%0.04233%0.334CS..  trans-87.9107.8174.4-53-177.1000109.4R17 D25 W26 N227R17-L20 HydrophobicContact CB-CB 4.39Å; R17-L20 HydrophobicContact CB-CD1 3.82Å; R17-L20 HydrophobicContact CB-CG 3.94Å; R17-L20 HydrophobicContact CG-CD1 4.25Å; R17-L20 PolarHBondContact O-N 3.29Å; R17-L20 VanDerWaalsContact O-N 3.11Å; L20-D25 HydrophobicContact CB-CB 4.03Å; L20-D25 HydrophobicContact CD2-CB 4.12Å; L20-W26 HydrophobicContact CD1-CD2 3.87Å; L20-W26 HydrophobicContact CD1-CE3 4.34Å; L20-W26 HydrophobicContact CD1-CG 4.21Å; L20-W26 HydrophobicContact CD1-CH2 4.34Å; L20-W26 HydrophobicContact CD1-CZ2 3.87Å; L20-N227 HydrophobicContact CD2-CB 4.05Å; L20-N227 WeakPolarHBondContact CD2-ND2 3.34Å
21K92.8Very high96.4Very high161 Ų16163 Ų6370%0.731%0.31SS*.  trans-86.3-37.1-163.5-56.7-54.3178.5-174.50113.5P18 D25P18-K21 PolarHBondContact O-NZ 2.68Å; K21-D25 PolarHBondContact N-OD2 3.46Å
22D92.7Very high96.4Very high88 Ų8864 Ų6447%0.47131%0.311SS..SBendtrans-132.2-179.3-178.662.837.8000111.7L24 D25 W26D22-L24 PolarHBondContact O-N 3.07Å; D22-L24 WeakPolarHBondContact OD1-CA 3.38Å; D22-L24 VanDerWaalsContact OD1-CB 3.29Å; D22-L24 WeakPolarHBondContact OD1-CB 3.4Å; D22-L24 PolarHBondContact OD1-N 3.09Å; D22-D25 PolarHBondContact OD1-N 3.21Å; D22-W26 VanDerWaalsContact O-CD1 3.25Å
23S91.1Very high96.4Very high97 Ų9770 Ų7068%0.67834%0.338SS*.THydrogen-bonded Turntrans-69.2-22.8179.651.30000113.7W26 T27S23-W26 PolarHBondContact O-N 3.41Å; S23-T27 PolarHBondContact O-OG1 3.42Å
24L95.9Very high96.4Very high108 Ų10872.4 Ų72.457%0.56536%0.359SS*.THydrogen-bonded Turntrans-73.7-35.5-177.5-166.4147.9000110D22 W26 T27 R28D22-L24 PolarHBondContact O-N 3.07Å; D22-L24 WeakPolarHBondContact OD1-CA 3.38Å; D22-L24 VanDerWaalsContact OD1-CB 3.29Å; D22-L24 WeakPolarHBondContact OD1-CB 3.4Å; D22-L24 PolarHBondContact OD1-N 3.09Å; L24-W26 PolarHBondContact O-N 3.1Å; L24-T27 CarbonylContact O-C 3.42Å; L24-T27 PolarHBondContact O-N 3.34Å; L24-R28 WeakPolarHBondContact O-CA 3.42Å; L24-R28 PolarHBondContact O-N 3.37Å
25D96.8Very high96.5Very high14 Ų1464.5 Ų64.58%0.07533%0.33CS..THydrogen-bonded Turntrans-57.8-29.3171.5-74.9-18.8000113.7L20 K21 D22 T27 R28L20-D25 HydrophobicContact CB-CB 4.03Å; L20-D25 HydrophobicContact CD2-CB 4.12Å; K21-D25 PolarHBondContact N-OD2 3.46Å; D22-D25 PolarHBondContact OD1-N 3.21Å; D25-T27 VanDerWaalsContact C-N 3.34Å; D25-R28 IonicContact OD1-CZ 2.64Å; D25-R28 IonicContact OD1-NE 3.88Å; D25-R28 IonicContact OD1-NH2 2.97Å; D25-R28 PolarHBondContact OD1-NH2 2.77Å
26W98.2Very high96.5Very high10 Ų1066 Ų664%0.03834%0.34CS..THydrogen-bonded Turntrans-78.2-17.7178.2-74.773.6000113.4K13 R17 L20 D22 S23 L24 D126 D127 L130K13-W26 HydrophobicContact CB-CH2 3.89Å; K13-W26 HydrophobicContact CB-CZ2 3.35Å; K13-W26 HydrophobicContact CD-CD2 3.77Å; K13-W26 HydrophobicContact CD-CE3 4.03Å; K13-W26 HydrophobicContact CD-CG 4.38Å; K13-W26 HydrophobicContact CD-CH2 4.12Å; K13-W26 HydrophobicContact CD-CZ2 3.84Å; K13-W26 HydrophobicContact CD-CZ3 4.19Å; K13-W26 HydrophobicContact CG-CD2 4.33Å; K13-W26 HydrophobicContact CG-CE3 4.37Å; K13-W26 HydrophobicContact CG-CH2 3.59Å; K13-W26 HydrophobicContact CG-CZ2 3.49Å; K13-W26 VanDerWaalsContact CG-CZ2 3.49Å; K13-W26 HydrophobicContact CG-CZ3 4.03Å; R17-W26 HydrophobicContact CB-CH2 4.08Å; R17-W26 HydrophobicContact CB-CZ2 3.81Å; R17-W26 HydrophobicContact CG-CH2 3.77Å; R17-W26 HydrophobicContact CG-CZ2 4.05Å; L20-W26 HydrophobicContact CD1-CD2 3.87Å; L20-W26 HydrophobicContact CD1-CE3 4.34Å; L20-W26 HydrophobicContact CD1-CG 4.21Å; L20-W26 HydrophobicContact CD1-CH2 4.34Å; L20-W26 HydrophobicContact CD1-CZ2 3.87Å; D22-W26 VanDerWaalsContact O-CD1 3.25Å; S23-W26 PolarHBondContact O-N 3.41Å; L24-W26 PolarHBondContact O-N 3.1Å; W26-D126 HydrophobicContact CE3-CB 4.04Å; W26-D126 CarbonylContact O-C 3.52Å; W26-D126 VanDerWaalsContact O-CA 3.28Å; W26-D126 WeakPolarHBondContact O-CA 3.39Å; W26-D127 PolarHBondContact O-N 2.83Å; W26-L130 HydrophobicContact CH2-CD2 3.74Å; W26-L130 HydrophobicContact CH2-CG 4.11Å; W26-L130 HydrophobicContact CZ3-CD2 4.19Å; W26-L130 HydrophobicContact CZ3-CG 4.16Å
27T98.3Very high96.6Very high54 Ų5467.2 Ų67.233%0.33135%0.345SS..SBendtrans-131.320.4-174.261.60000111.9S23 L24 D25 H29 N30 D127S23-T27 PolarHBondContact O-OG1 3.42Å; L24-T27 CarbonylContact O-C 3.42Å; L24-T27 PolarHBondContact O-N 3.34Å; D25-T27 VanDerWaalsContact C-N 3.34Å; T27-H29 VanDerWaalsContact C-N 3.3Å; T27-H29 PolarHBondContact O-N 3.48Å; T27-N30 PolarHBondContact O-N 3.23Å; T27-D127 VanDerWaalsContact C-OD2 3.26Å
28R98.1Very high96.7Very high135 Ų13569 Ų6951%0.50936%0.36SS..THydrogen-bonded Turntrans-60.6-38.4-169.2-177.7-175.1-71.6-166-3.4112.3L24 D25 D127L24-R28 WeakPolarHBondContact O-CA 3.42Å; L24-R28 PolarHBondContact O-N 3.37Å; D25-R28 IonicContact OD1-CZ 2.64Å; D25-R28 IonicContact OD1-NE 3.88Å; D25-R28 IonicContact OD1-NH2 2.97Å; D25-R28 PolarHBondContact OD1-NH2 2.77Å; R28-D127 PolarHBondContact N-OD2 3.15Å
29H98Very high96.6Very high71 Ų7169.6 Ų69.633%0.32937%0.365SS..THydrogen-bonded Turntrans-89.8-8.5-175.9-52.984.6000112.7T27 Y31 S34 D127T27-H29 VanDerWaalsContact C-N 3.3Å; T27-H29 PolarHBondContact O-N 3.48Å; H29-Y31 HydrophobicContact CB-CD1 3.97Å; H29-Y31 HydrophobicContact CB-CD2 3.83Å; H29-Y31 HydrophobicContact CB-CE1 3.75Å; H29-Y31 HydrophobicContact CB-CE2 3.57Å; H29-Y31 HydrophobicContact CB-CG 4.01Å; H29-Y31 AromaticContact CG-CE2 3.82Å; H29-Y31 AromaticContact CG-CZ 3.84Å; H29-Y31 PolarHBondContact O-N 3.4Å; H29-S34 PolarHBondContact O-OG 2.79Å; H29-D127 WeakPolarHBondContact CB-OD2 3.21Å; H29-D127 IonicContact CG-OD2 2.85Å; H29-D127 PolarHBondContact N-OD2 3.24Å; H29-D127 IonicContact ND1-OD2 3.9Å; H29-D127 PolarHBondContact ND1-OD2 2.95Å
30N98.3Very high96.5Very high68 Ų6871.2 Ų71.236%0.36439%0.389SS..  trans51.438.1-176.8-165.329.5000113T27 Y32 E33 S34 D127T27-N30 PolarHBondContact O-N 3.23Å; N30-Y32 PolarHBondContact O-N 3.36Å; N30-E33 PolarHBondContact ND2-OE2 3.5Å; N30-E33 PolarHBondContact O-N 3.2Å; N30-S34 PolarHBondContact O-N 3.47Å; N30-S34 VanDerWaalsContact O-N 3.07Å; N30-S34 PolarHBondContact O-OG 3.03Å; N30-D127 PolarHBondContact N-OD1 3.18Å; N30-D127 VanDerWaalsContact N-OD1 3.13Å
31Y98.6Very high96.3Very high13 Ų1374.4 Ų74.45%0.05142%0.416CS..Hα-helixtrans-63.1-15.3-179.7-68.9-40.1000113.1H29 E33 S34 F35 D127 I233 N237H29-Y31 HydrophobicContact CB-CD1 3.97Å; H29-Y31 HydrophobicContact CB-CD2 3.83Å; H29-Y31 HydrophobicContact CB-CE1 3.75Å; H29-Y31 HydrophobicContact CB-CE2 3.57Å; H29-Y31 HydrophobicContact CB-CG 4.01Å; H29-Y31 AromaticContact CG-CE2 3.82Å; H29-Y31 AromaticContact CG-CZ 3.84Å; H29-Y31 PolarHBondContact O-N 3.4Å; Y31-E33 PolarHBondContact O-N 3.14Å; Y31-S34 WeakPolarHBondContact CA-OG 3.45Å; Y31-F35 HydrophobicContact CD1-CB 3.87Å; Y31-F35 HydrophobicContact CD1-CD2 4.23Å; Y31-F35 HydrophobicContact CD1-CG 4.43Å; Y31-F35 HydrophobicContact CE1-CD2 4.44Å; Y31-F35 HydrophobicContact CG-CB 4.15Å; Y31-F35 WeakPolarHBondContact O-CB 3.1Å; Y31-F35 PolarHBondContact O-N 3.26Å; Y31-D127 HydrophobicContact CD2-CB 3.77Å; Y31-D127 HydrophobicContact CE2-CB 4.45Å; Y31-D127 PolarHBondContact N-OD1 3.21Å; Y31-I233 HydrophobicContact CD2-CD1 3.64Å; Y31-I233 HydrophobicContact CD2-CG1 3.84Å; Y31-I233 HydrophobicContact CD2-CG2 4.07Å; Y31-I233 HydrophobicContact CE2-CD1 4.44Å; Y31-I233 HydrophobicContact CE2-CG1 4.15Å; Y31-I233 HydrophobicContact CE2-CG2 4.14Å; Y31-I233 HydrophobicContact CG-CD1 3.77Å; Y31-I233 HydrophobicContact CG-CG1 4.25Å; Y31-N237 HydrophobicContact CE1-CB 4.4Å; Y31-N237 PolarHBondContact OH-ND2 3.16Å
32Y98.4Very high96.4Very high101 Ų10167.6 Ų67.640%0.39639%0.388SS..Hα-helixtrans-56.3-35.1170-178.2-100.6000112.9N30 R125N30-Y32 PolarHBondContact O-N 3.36Å; Y32-R125 HydrophobicContact CD1-CB 4.33Å; Y32-R125 HydrophobicContact CD1-CG 3.97Å; Y32-R125 HydrophobicContact CD2-CB 3.93Å; Y32-R125 HydrophobicContact CD2-CG 3.75Å; Y32-R125 HydrophobicContact CE1-CG 4.04Å; Y32-R125 HydrophobicContact CE2-CB 4.49Å; Y32-R125 HydrophobicContact CE2-CG 3.83Å; Y32-R125 HydrophobicContact CG-CB 3.84Å; Y32-R125 HydrophobicContact CG-CG 3.84Å
33E98.1Very high96.6Very high133 Ų13365.6 Ų65.662%0.62138%0.384SS*.Hα-helixtrans-109.1-32-178.6-56.5-175.9161.300112.6N30 Y31N30-E33 PolarHBondContact ND2-OE2 3.5Å; N30-E33 PolarHBondContact O-N 3.2Å; Y31-E33 PolarHBondContact O-N 3.14Å
34S98.1Very high97Very high80 Ų8063.7 Ų63.756%0.55937%0.366SS*.Hα-helixtrans-92.3-24.6-170.4640000114.9H29 N30 Y31H29-S34 PolarHBondContact O-OG 2.79Å; N30-S34 PolarHBondContact O-N 3.47Å; N30-S34 VanDerWaalsContact O-N 3.07Å; N30-S34 PolarHBondContact O-OG 3.03Å; Y31-S34 WeakPolarHBondContact CA-OG 3.45Å
35F98.1Very high97.1Very high32 Ų3262.3 Ų62.314%0.1436%0.359CS..SBendtrans-99.3116.8-172.8-164.9-86.1000111.8Y31 L37 I233 F236 N237 L276Y31-F35 HydrophobicContact CD1-CB 3.87Å; Y31-F35 HydrophobicContact CD1-CD2 4.23Å; Y31-F35 HydrophobicContact CD1-CG 4.43Å; Y31-F35 HydrophobicContact CE1-CD2 4.44Å; Y31-F35 HydrophobicContact CG-CB 4.15Å; Y31-F35 WeakPolarHBondContact O-CB 3.1Å; Y31-F35 PolarHBondContact O-N 3.26Å; F35-L37 HydrophobicContact CD1-CD2 3.64Å; F35-L37 HydrophobicContact CD1-CG 4.25Å; F35-L37 HydrophobicContact CE1-CD2 3.78Å; F35-L37 PolarHBondContact O-N 2.86Å; F35-I233 HydrophobicContact CB-CD1 4.32Å; F35-I233 HydrophobicContact CD1-CD1 4.05Å; F35-I233 HydrophobicContact CD1-CG1 4.34Å; F35-I233 HydrophobicContact CD2-CD1 4.47Å; F35-I233 HydrophobicContact CD2-CG1 4.26Å; F35-I233 HydrophobicContact CE1-CG1 4.42Å; F35-I233 HydrophobicContact CE2-CG1 4.34Å; F35-I233 HydrophobicContact CG-CD1 4.02Å; F35-I233 HydrophobicContact CG-CG1 4.26Å; F35-I233 HydrophobicContact CZ-CG1 4.43Å; F35-F236 HydrophobicContact CZ-CB 3.89Å; F35-N237 HydrophobicContact CD2-CB 4.44Å; F35-N237 HydrophobicContact CE2-CB 4.03Å; F35-L276 HydrophobicContact CE1-CD2 3.83Å; F35-L276 HydrophobicContact CZ-CD2 4.35Å
36S97.9Very high97.2Very high85 Ų8562.4 Ų62.459%0.59436%0.36SS*.  trans-72.9128.5179.1-176.70000111.8
37L97.6Very high97.2Very high35 Ų3565.8 Ų65.818%0.18338%0.377CS..  trans-113.317.1176-60.9173.6000112.4F35 P39 P180 R181 L276 L278F35-L37 HydrophobicContact CD1-CD2 3.64Å; F35-L37 HydrophobicContact CD1-CG 4.25Å; F35-L37 HydrophobicContact CE1-CD2 3.78Å; F35-L37 PolarHBondContact O-N 2.86Å; L37-P39 WeakPolarHBondContact O-CD 3.44Å; L37-P180 HydrophobicContact CD1-CB 3.64Å; L37-R181 HydrophobicContact CD1-CG 3.77Å; L37-R181 HydrophobicContact CD2-CG 4.49Å; L37-L276 HydrophobicContact CD2-CD2 3.92Å; L37-L278 HydrophobicContact CB-CD2 4.43Å; L37-L278 HydrophobicContact CD2-CD2 4.04Å
38S97.1Very high97.2Very high57 Ų5766.8 Ų66.840%0.39937%0.374SS..  trans-61.4117.3-177.1-177.40000111.1A40 A41S38-A40 PolarHBondContact O-N 2.96Å; S38-A41 PolarHBondContact O-N 2.9Å
39P94.4Very high97.3Very high48 Ų4860.9 Ų60.931%0.31235%0.354SS..G310 helixtrans-60.1-31.5178.7-25.536.2000112.9L37 A41 V42 L258 L278L37-P39 WeakPolarHBondContact O-CD 3.44Å; P39-A41 PolarHBondContact O-N 2.53Å; P39-V42 WeakPolarHBondContact O-CB 3.45Å; P39-V42 PolarHBondContact O-N 3.19Å; P39-V42 VanDerWaalsContact O-N 3.15Å; P39-L258 HydrophobicContact CB-CD1 4.13Å; P39-L258 HydrophobicContact CB-CD2 4.08Å; P39-L258 WeakPolarHBondContact O-CD2 3.36Å; P39-L278 HydrophobicContact CB-CD1 4.26Å; P39-L278 HydrophobicContact CG-CD1 4.18Å
40A92.9Very high97.3Very high98 Ų9859.3 Ų59.381%0.8135%0.348SS*.G310 helixtrans-66.3-19.3-178.500000113.9S38S38-A40 PolarHBondContact O-N 2.96Å
41A91.3Very high97.3Very high74 Ų7456.4 Ų56.461%0.61233%0.334SS*.G310 helixtrans-90.3-2.3178.600000113.1S38 P39S38-A41 PolarHBondContact O-N 2.9Å; P39-A41 PolarHBondContact O-N 2.53Å
42V95.6Very high97.3Very high19 Ų1961.1 Ų61.112%0.11536%0.359CS..  trans-84.3120-177.9-179.10000109.3P39 R205 L258 L278P39-V42 WeakPolarHBondContact O-CB 3.45Å; P39-V42 PolarHBondContact O-N 3.19Å; P39-V42 VanDerWaalsContact O-N 3.15Å; V42-R205 HydrophobicContact CG1-CG 3.89Å; V42-R205 HydrophobicContact CG2-CG 4.31Å; V42-L258 HydrophobicContact CB-CB 4.22Å; V42-L258 HydrophobicContact CB-CD1 4.35Å; V42-L258 HydrophobicContact CB-CD2 4.49Å; V42-L258 HydrophobicContact CG1-CB 3.85Å; V42-L258 HydrophobicContact CG1-CD1 4.45Å; V42-L258 HydrophobicContact CG2-CD1 4.36Å; V42-L278 HydrophobicContact CG2-CD1 4.07Å
43A96.6Very high97.3Very high46 Ų4663.6 Ų63.638%0.3837%0.374SS..  trans-66.9141.7167.800000109.8E256A43-E256 VanDerWaalsContact O-CB 3.23Å; A43-E256 WeakPolarHBondContact O-CB 3.35Å
44D98.4Very high97.3Very high56 Ų5657.6 Ų57.630%0.29935%0.346SS..  trans-135.9123.1177.3-170-54.9000108.2V46 R48 E256 L258D44-V46 PolarHBondContact OD1-N 2.96Å; D44-R48 VanDerWaalsContact CG-NH1 3.31Å; D44-R48 IonicContact OD1-CZ 2.93Å; D44-R48 IonicContact OD1-NH1 3.92Å; D44-R48 PolarHBondContact OD1-NH1 3.09Å; D44-R48 IonicContact OD1-NH2 3.75Å; D44-R48 IonicContact OD2-CZ 2.96Å; D44-R48 IonicContact OD2-NH1 3.44Å; D44-R48 PolarHBondContact OD2-NH1 3.03Å; D44-R48 IonicContact OD2-NH2 3.26Å; D44-R48 PolarHBondContact OD2-NH2 2.98Å; D44-E256 WeakPolarHBondContact CA-O 3.44Å; D44-L258 PolarHBondContact OD2-N 3.35Å
45N98.4Very high97.4Very high79 Ų7955.7 Ų55.742%0.42233%0.333SS..  trans-133.814.6-175.166.29.2000112.8P254 L255 E256N45-P254 PolarHBondContact ND2-O 3.47Å; N45-L255 WeakPolarHBondContact OD1-CA 3.42Å; N45-E256 PolarHBondContact N-O 2.75Å; N45-E256 VanDerWaalsContact N-O 3.07Å; N45-E256 PolarHBondContact OD1-N 3.47Å; N45-E256 PolarHBondContact OD1-O 3.4Å
46V98.5Very high97.4Very high16 Ų1656.7 Ų56.710%0.09734%0.342CS..  trans-93.2146.6-179.875.20000111.4D44 V71 I257D44-V46 PolarHBondContact OD1-N 2.96Å; V46-V71 HydrophobicContact CG1-CB 4.48Å; V46-V71 HydrophobicContact CG1-CG2 3.48Å; V46-V71 VanDerWaalsContact CG1-CG2 3.48Å; V46-V71 HydrophobicContact CG2-CG2 4.5Å; V46-I257 HydrophobicContact CB-CD1 4.22Å; V46-I257 HydrophobicContact CB-CG1 3.93Å; V46-I257 HydrophobicContact CG1-CB 4.11Å; V46-I257 HydrophobicContact CG1-CD1 3.94Å; V46-I257 HydrophobicContact CG1-CG1 3.62Å; V46-I257 HydrophobicContact CG1-CG2 3.75Å; V46-I257 HydrophobicContact CG2-CD1 4.12Å; V46-I257 HydrophobicContact CG2-CG1 4.37Å
47E98.8Very high97.4Very high82 Ų8258.6 Ų58.638%0.38334%0.341SS..  trans-67.4142.8174.7-173.7173.3171.800111.8Y63 K68 V70 V71E47-Y63 PolarHBondContact OE1-OH 2.77Å; E47-K68 WeakPolarHBondContact OE2-CE 3.47Å; E47-K68 IonicContact OE2-NZ 2.66Å; E47-K68 PolarHBondContact OE2-NZ 3.23Å; E47-V70 HydrophobicContact CB-CG2 4.45Å; E47-V70 HydrophobicContact CG-CG2 4.47Å; E47-V70 WeakPolarHBondContact O-CG2 3.41Å; E47-V71 PolarHBondContact O-N 3.08Å
48R98.8Very high97.5Very high75 Ų7559.7 Ų59.728%0.28335%0.345SS..EExtended strand (participates in β ladder)trans-116.6130.5173.2-81.3168.4177.978.8-1110D44 V71 L73 L258 E263D44-R48 VanDerWaalsContact CG-NH1 3.31Å; D44-R48 IonicContact OD1-CZ 2.93Å; D44-R48 IonicContact OD1-NH1 3.92Å; D44-R48 PolarHBondContact OD1-NH1 3.09Å; D44-R48 IonicContact OD1-NH2 3.75Å; D44-R48 IonicContact OD2-CZ 2.96Å; D44-R48 IonicContact OD2-NH1 3.44Å; D44-R48 PolarHBondContact OD2-NH1 3.03Å; D44-R48 IonicContact OD2-NH2 3.26Å; D44-R48 PolarHBondContact OD2-NH2 2.98Å; R48-V71 CarbonylContact C-O 3.44Å; R48-V71 VanDerWaalsContact CA-O 3.26Å; R48-V71 WeakPolarHBondContact CA-O 3.44Å; R48-V71 HydrophobicContact CG-CB 3.71Å; R48-V71 HydrophobicContact CG-CG1 3.94Å; R48-L73 HydrophobicContact CB-CD1 4.3Å; R48-L73 HydrophobicContact CB-CD2 4.47Å; R48-L73 HydrophobicContact CB-CG 4.33Å; R48-L73 HydrophobicContact CG-CD2 4.26Å; R48-L258 PolarHBondContact NH2-O 2.86Å; R48-E263 IonicContact CZ-OE1 3.55Å; R48-E263 IonicContact NE-OE1 3.69Å; R48-E263 PolarHBondContact NE-OE1 3.49Å; R48-E263 IonicContact NH2-OE1 3.75Å; R48-E263 IonicContact NH2-OE2 2.86Å
49A98.8Very high97.6Very high11 Ų1157 Ų579%0.09133%0.326CS..EExtended strand (participates in β ladder)trans-124.9136.7178.900000110.9A51 L54 Y63 V70 V71 L72 L73A49-A51 PolarHBondContact O-N 2.76Å; A49-L54 HydrophobicContact CB-CD2 4.4Å; A49-Y63 HydrophobicContact CB-CE2 4.2Å; A49-Y63 WeakPolarHBondContact CB-OH 3.46Å; A49-V70 HydrophobicContact CB-CG2 3.98Å; A49-V71 PolarHBondContact N-O 3.39Å; A49-L72 HydrophobicContact CB-CD2 4.4Å; A49-L72 WeakPolarHBondContact O-CA 3.21Å; A49-L73 PolarHBondContact O-N 3.37Å
50D98.8Very high97.8Very high37 Ų3755.8 Ų55.820%0.19832%0.318CS..EExtended strand (participates in β ladder)trans-79.4115.3176.8-177.13000111L52 Q53 L54 N74D50-L52 PolarHBondContact O-N 3.04Å; D50-L52 WeakPolarHBondContact OD1-CB 3.42Å; D50-L52 PolarHBondContact OD1-N 3Å; D50-Q53 HydrophobicContact CB-CB 4.43Å; D50-Q53 HydrophobicContact CB-CG 4.44Å; D50-Q53 PolarHBondContact O-N 3.42Å; D50-Q53 VanDerWaalsContact O-N 3.1Å; D50-Q53 PolarHBondContact OD2-NE2 3.28Å; D50-L54 WeakPolarHBondContact O-CB 3.26Å; D50-L54 PolarHBondContact O-N 3.05Å; D50-N74 PolarHBondContact OD1-ND2 3.22Å
51A98.6Very high98Very high7 Ų756.8 Ų56.86%0.05831%0.306CS..THydrogen-bonded Turntrans-64-21.6-17900000113.9A49 Q53 L73 A75 K154 F155A49-A51 PolarHBondContact O-N 2.76Å; A51-Q53 VanDerWaalsContact C-N 3.31Å; A51-L73 WeakPolarHBondContact CB-O 3.45Å; A51-L73 PolarHBondContact N-O 3.41Å; A51-A75 HydrophobicContact CB-CB 4.1Å; A51-K154 PolarHBondContact O-NZ 3.32Å; A51-K154 VanDerWaalsContact O-NZ 3.15Å; A51-F155 HydrophobicContact CB-CE2 3.8Å; A51-F155 HydrophobicContact CB-CZ 4.07Å
52L98.3Very high98.4Very high112 Ų11259.4 Ų59.459%0.58630%0.3SS*.THydrogen-bonded Turntrans-72.2-28.7176.2-63.1178.1000112D50 N74 E77D50-L52 PolarHBondContact O-N 3.04Å; D50-L52 WeakPolarHBondContact OD1-CB 3.42Å; D50-L52 PolarHBondContact OD1-N 3Å; L52-N74 HydrophobicContact CD1-CB 3.92Å; L52-N74 HydrophobicContact CG-CB 3.8Å; L52-E77 HydrophobicContact CD2-CG 4.24Å
53Q98.6Very high98.5Very high153 Ų15358.9 Ų58.972%0.71530%0.296SS*.SBendtrans-103.34.9-177.7-59.8177.742.800112.8D50 A51D50-Q53 HydrophobicContact CB-CB 4.43Å; D50-Q53 HydrophobicContact CB-CG 4.44Å; D50-Q53 PolarHBondContact O-N 3.42Å; D50-Q53 VanDerWaalsContact O-N 3.1Å; D50-Q53 PolarHBondContact OD2-NE2 3.28Å; A51-Q53 VanDerWaalsContact C-N 3.31Å
54L98.6Very high98.6Very high7 Ų757 Ų574%0.03728%0.279CS..  trans-114.1119.8-176.5-168.568.9000110.3A49 D50 E58 F59 Y63 L72 K154 F155A49-L54 HydrophobicContact CB-CD2 4.4Å; D50-L54 WeakPolarHBondContact O-CB 3.26Å; D50-L54 PolarHBondContact O-N 3.05Å; L54-E58 HydrophobicContact CD1-CB 3.68Å; L54-E58 HydrophobicContact CG-CB 4.45Å; L54-F59 HydrophobicContact CD2-CB 3.86Å; L54-F59 HydrophobicContact CD2-CD2 3.93Å; L54-F59 HydrophobicContact CD2-CG 4.39Å; L54-F59 HydrophobicContact CG-CB 4.15Å; L54-Y63 HydrophobicContact CD1-CE2 4.15Å; L54-Y63 HydrophobicContact CD2-CD2 4.23Å; L54-Y63 HydrophobicContact CD2-CE2 3.8Å; L54-L72 HydrophobicContact CD2-CD2 4.07Å; L54-K154 WeakPolarHBondContact O-CE 3.44Å; L54-K154 PolarHBondContact O-NZ 3.24Å; L54-F155 HydrophobicContact CB-CE1 4.46Å; L54-F155 HydrophobicContact CB-CZ 4.23Å; L54-F155 HydrophobicContact CD2-CE1 4.23Å; L54-F155 HydrophobicContact CD2-CZ 4.15Å; L54-F155 HydrophobicContact CG-CE1 4.28Å; L54-F155 HydrophobicContact CG-CZ 4.4Å
55S98.8Very high98.6Very high40 Ų4061.4 Ų61.428%0.2829%0.292SS..  trans-73.8167171.1102.10000111.5E57 E58 F59S55-E57 PolarHBondContact OG-N 3.24Å; S55-E57 PolarHBondContact OG-OE2 3.5Å; S55-E58 PolarHBondContact N-OE2 3.46Å; S55-E58 PolarHBondContact OG-N 2.86Å; S55-E58 VanDerWaalsContact OG-N 3.1Å; S55-F59 WeakPolarHBondContact O-CB 3.41Å; S55-F59 PolarHBondContact O-N 3.41Å
56V98.7Very high98.6Very high54 Ų5461.1 Ų61.133%0.32730%0.295SS..Hα-helixtrans-66.5-43.1175.91750000110.2F59 V60 K154 F155V56-F59 WeakPolarHBondContact O-CB 3.16Å; V56-F59 PolarHBondContact O-N 2.8Å; V56-V60 HydrophobicContact CG1-CG2 4.48Å; V56-V60 VanDerWaalsContact O-CG2 3.31Å; V56-V60 WeakPolarHBondContact O-CG2 3.48Å; V56-V60 PolarHBondContact O-N 3.26Å; V56-K154 HydrophobicContact CG2-CB 4.43Å; V56-K154 HydrophobicContact CG2-CD 4.39Å; V56-K154 HydrophobicContact CG2-CG 4.11Å; V56-F155 HydrophobicContact CG2-CD1 4.31Å
57E98.6Very high98.6Very high125 Ų12562.8 Ų62.858%0.58430%0.299SS*.Hα-helixtrans-60.6-46.8177.6-59.473-160.100111.2S55 F59 V60 E61S55-E57 PolarHBondContact OG-N 3.24Å; S55-E57 PolarHBondContact OG-OE2 3.5Å; E57-F59 VanDerWaalsContact C-N 3.31Å; E57-F59 PolarHBondContact O-N 3.28Å; E57-V60 PolarHBondContact O-N 2.8Å; E57-E61 WeakPolarHBondContact O-CG 3.47Å; E57-E61 PolarHBondContact O-N 2.98Å
58E98.8Very high98.6Very high57 Ų5763.2 Ų63.227%0.26630%0.3SS..Hα-helixtrans-62.6-38.8176.6-68.4-179.7120.100112L54 S55 E61 R62L54-E58 HydrophobicContact CD1-CB 3.68Å; L54-E58 HydrophobicContact CG-CB 4.45Å; S55-E58 PolarHBondContact N-OE2 3.46Å; S55-E58 PolarHBondContact OG-N 2.86Å; S55-E58 VanDerWaalsContact OG-N 3.1Å; E58-E61 PolarHBondContact O-N 3Å; E58-R62 VanDerWaalsContact O-CB 3.26Å; E58-R62 WeakPolarHBondContact O-CB 3.32Å; E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.45Å; E58-R62 PolarHBondContact O-N 3.27Å; E58-R62 IonicContact OE1-CZ 3.56Å; E58-R62 IonicContact OE1-NH1 3.86Å; E58-R62 IonicContact OE1-NH2 2.75Å; E58-R62 PolarHBondContact OE1-NH2 3.11Å
59F98.8Very high98.6Very high0 Ų059.8 Ų59.80%029%0.288CS..Hα-helixtrans-62.7-44.8175.3172.7-95.2000111.6L54 S55 V56 E57 Y63 E64 V70 L72 F155 F156 F266L54-F59 HydrophobicContact CD2-CB 3.86Å; L54-F59 HydrophobicContact CD2-CD2 3.93Å; L54-F59 HydrophobicContact CD2-CG 4.39Å; L54-F59 HydrophobicContact CG-CB 4.15Å; S55-F59 WeakPolarHBondContact O-CB 3.41Å; S55-F59 PolarHBondContact O-N 3.41Å; V56-F59 WeakPolarHBondContact O-CB 3.16Å; V56-F59 PolarHBondContact O-N 2.8Å; E57-F59 VanDerWaalsContact C-N 3.31Å; E57-F59 PolarHBondContact O-N 3.28Å; F59-Y63 AromaticContact CD2-CD2 3.69Å; F59-Y63 HydrophobicContact CD2-CD2 3.69Å; F59-Y63 HydrophobicContact CD2-CG 4.39Å; F59-Y63 HydrophobicContact CE2-CD2 4.18Å; F59-Y63 HydrophobicContact CE2-CG 4.48Å; F59-Y63 HydrophobicContact CG-CD2 4.42Å; F59-Y63 WeakPolarHBondContact O-CA 3.41Å; F59-Y63 WeakPolarHBondContact O-CB 3.33Å; F59-Y63 PolarHBondContact O-N 3.33Å; F59-E64 HydrophobicContact CD1-CB 4.28Å; F59-E64 HydrophobicContact CE1-CB 3.82Å; F59-E64 HydrophobicContact CE1-CG 4.26Å; F59-E64 HydrophobicContact CZ-CB 4.45Å; F59-E64 PolarHBondContact O-N 3.08Å; F59-E64 VanDerWaalsContact O-N 3.1Å; F59-V70 HydrophobicContact CE2-CG1 4.17Å; F59-L72 HydrophobicContact CD2-CD2 4.29Å; F59-L72 HydrophobicContact CE2-CD1 4.25Å; F59-L72 HydrophobicContact CE2-CD2 4.32Å; F59-F155 HydrophobicContact CB-CD1 3.53Å; F59-F155 HydrophobicContact CB-CE1 3.8Å; F59-F155 HydrophobicContact CB-CG 4.34Å; F59-F155 HydrophobicContact CD1-CB 3.78Å; F59-F155 HydrophobicContact CD1-CD1 4.03Å; F59-F155 HydrophobicContact CD1-CG 4.13Å; F59-F155 HydrophobicContact CD2-CD1 4.23Å; F59-F155 HydrophobicContact CD2-CG 4.27Å; F59-F155 HydrophobicContact CE1-CB 3.92Å; F59-F155 HydrophobicContact CG-CB 4.13Å; F59-F155 AromaticContact CG-CD1 3.65Å; F59-F155 HydrophobicContact CG-CD1 3.65Å; F59-F155 HydrophobicContact CG-CE1 4.26Å; F59-F155 AromaticContact CG-CG 3.97Å; F59-F155 HydrophobicContact CG-CG 3.97Å; F59-F155 HydrophobicContact CZ-CB 4.4Å; F59-F156 AromaticContact CE1-CE1 3.94Å; F59-F156 HydrophobicContact CE1-CE1 3.94Å; F59-F156 HydrophobicContact CE2-CE1 4.49Å; F59-F156 AromaticContact CZ-CE1 3.63Å; F59-F156 HydrophobicContact CZ-CE1 3.63Å; F59-F156 HydrophobicContact CZ-CZ 4.08Å; F59-F266 HydrophobicContact CE2-CB 4.47Å; F59-F266 HydrophobicContact CE2-CD1 4.18Å; F59-F266 HydrophobicContact CE2-CG 4.25Å; F59-F266 HydrophobicContact CZ-CB 4.42Å; F59-F266 AromaticContact CZ-CD1 3.86Å; F59-F266 HydrophobicContact CZ-CD1 3.86Å; F59-F266 HydrophobicContact CZ-CD2 4.01Å; F59-F266 HydrophobicContact CZ-CE1 4.06Å; F59-F266 HydrophobicContact CZ-CE2 4.24Å; F59-F266 AromaticContact CZ-CG 3.82Å; F59-F266 HydrophobicContact CZ-CG 3.82Å; F59-F266 HydrophobicContact CZ-CZ 4.26Å
60V98.8Very high98.6Very high23 Ų2359.3 Ų59.314%0.13928%0.283CS..Iπ-helixtrans-61.9-47.5178172.60000110.5V56 E57 E64 R65V56-V60 HydrophobicContact CG1-CG2 4.48Å; V56-V60 VanDerWaalsContact O-CG2 3.31Å; V56-V60 WeakPolarHBondContact O-CG2 3.48Å; V56-V60 PolarHBondContact O-N 3.26Å; E57-V60 PolarHBondContact O-N 2.8Å; V60-E64 PolarHBondContact O-N 3.32Å; V60-R65 HydrophobicContact CG1-CB 4.34Å; V60-R65 WeakPolarHBondContact O-CB 3.23Å; V60-R65 PolarHBondContact O-N 3.15Å
61E98.6Very high98.6Very high119 Ų11957.5 Ų57.556%0.55627%0.274SS*.Iπ-helixtrans-68.1-42-177.6-72.1179.8173.900113.2E57 E58 P66E57-E61 WeakPolarHBondContact O-CG 3.47Å; E57-E61 PolarHBondContact O-N 2.98Å; E58-E61 PolarHBondContact O-N 3Å; E61-P66 WeakPolarHBondContact O-CD 3.44Å
62R98.7Very high98.7Very high129 Ų12957.2 Ų57.249%0.48727%0.271SS..Iπ-helixtrans-86.6-28.6-173.6-63.2-179.1-171.4163.914.2113.8E58 P66E58-R62 VanDerWaalsContact O-CB 3.26Å; E58-R62 WeakPolarHBondContact O-CB 3.32Å; E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.45Å; E58-R62 PolarHBondContact O-N 3.27Å; E58-R62 IonicContact OE1-CZ 3.56Å; E58-R62 IonicContact OE1-NH1 3.86Å; E58-R62 IonicContact OE1-NH2 2.75Å; E58-R62 PolarHBondContact OE1-NH2 3.11Å; R62-P66 VanDerWaalsContact O-CG 3.25Å; R62-P66 WeakPolarHBondContact O-CG 3.39Å
63Y98.8Very high98.7Very high8 Ų854.4 Ų54.43%0.03126%0.257CS..Iπ-helixtrans-128.8-54.9-170.1-50.2-65.9000113.8E47 A49 L54 F59 P66 Y67 K68 V70E47-Y63 PolarHBondContact OE1-OH 2.77Å; A49-Y63 HydrophobicContact CB-CE2 4.2Å; A49-Y63 WeakPolarHBondContact CB-OH 3.46Å; L54-Y63 HydrophobicContact CD1-CE2 4.15Å; L54-Y63 HydrophobicContact CD2-CD2 4.23Å; L54-Y63 HydrophobicContact CD2-CE2 3.8Å; F59-Y63 AromaticContact CD2-CD2 3.69Å; F59-Y63 HydrophobicContact CD2-CD2 3.69Å; F59-Y63 HydrophobicContact CD2-CG 4.39Å; F59-Y63 HydrophobicContact CE2-CD2 4.18Å; F59-Y63 HydrophobicContact CE2-CG 4.48Å; F59-Y63 HydrophobicContact CG-CD2 4.42Å; F59-Y63 WeakPolarHBondContact O-CA 3.41Å; F59-Y63 WeakPolarHBondContact O-CB 3.33Å; F59-Y63 PolarHBondContact O-N 3.33Å; Y63-P66 WeakPolarHBondContact O-CD 3.26Å; Y63-Y67 PolarHBondContact O-N 2.77Å; Y63-K68 HydrophobicContact CD1-CD 4.42Å; Y63-K68 HydrophobicContact CD1-CG 4.44Å; Y63-K68 PolarHBondContact O-N 2.86Å; Y63-V70 HydrophobicContact CD1-CB 3.66Å; Y63-V70 HydrophobicContact CD1-CG1 3.82Å; Y63-V70 HydrophobicContact CD1-CG2 3.97Å; Y63-V70 HydrophobicContact CD2-CG1 4.06Å; Y63-V70 HydrophobicContact CE1-CB 3.89Å; Y63-V70 HydrophobicContact CE1-CG1 4.32Å; Y63-V70 HydrophobicContact CE1-CG2 3.65Å; Y63-V70 HydrophobicContact CE2-CG2 4.44Å; Y63-V70 HydrophobicContact CG-CB 4.08Å; Y63-V70 HydrophobicContact CG-CG1 3.68Å
64E98.7Very high98.7Very high6 Ų650.2 Ų50.23%0.02824%0.239CC..Iπ-helixtrans-69.3-52.7-171.6-157.8-170.3-160.700112.7F59 V60 Y67 F266 F288 S290 T292F59-E64 HydrophobicContact CD1-CB 4.28Å; F59-E64 HydrophobicContact CE1-CB 3.82Å; F59-E64 HydrophobicContact CE1-CG 4.26Å; F59-E64 HydrophobicContact CZ-CB 4.45Å; F59-E64 PolarHBondContact O-N 3.08Å; F59-E64 VanDerWaalsContact O-N 3.1Å; V60-E64 PolarHBondContact O-N 3.32Å; E64-Y67 PolarHBondContact O-N 3.18Å; E64-F266 HydrophobicContact CB-CZ 4.28Å; E64-F266 HydrophobicContact CG-CZ 3.87Å; E64-F288 WeakPolarHBondContact OE1-CE2 3.41Å; E64-S290 WeakPolarHBondContact OE1-CB 3.35Å; E64-S290 PolarHBondContact OE1-OG 2.99Å; E64-T292 HydrophobicContact CB-CG2 4.45Å; E64-T292 HydrophobicContact CG-CG2 3.98Å; E64-T292 WeakPolarHBondContact OE2-CB 3.28Å; E64-T292 PolarHBondContact OE2-OG1 3.33Å
65R98.3Very high98.7Very high149 Ų14950.5 Ų50.556%0.56224%0.242SC*.THydrogen-bonded Turntrans-62.8-42.1-179.8-168.2-177.5-56.2167.27.5113.4V60 Y67 T292V60-R65 HydrophobicContact CG1-CB 4.34Å; V60-R65 WeakPolarHBondContact O-CB 3.23Å; V60-R65 PolarHBondContact O-N 3.15Å; R65-Y67 WeakPolarHBondContact O-CD2 3.18Å; R65-Y67 PolarHBondContact O-N 3.07Å; R65-T292 HydrophobicContact CB-CG2 4.3Å
66P98.3Very high98.7Very high74 Ų7449.6 Ų49.648%0.48123%0.234SC..THydrogen-bonded Turntrans-79.44.7173.231.2-35.9000113.8E61 R62 Y63 K68E61-P66 WeakPolarHBondContact O-CD 3.44Å; R62-P66 VanDerWaalsContact O-CG 3.25Å; R62-P66 WeakPolarHBondContact O-CG 3.39Å; Y63-P66 WeakPolarHBondContact O-CD 3.26Å; P66-K68 VanDerWaalsContact C-N 3.29Å; P66-K68 HydrophobicContact CG-CB 4.31Å; P66-K68 PolarHBondContact O-N 3.07Å
67Y98.4Very high98.7Very high50 Ų5053.1 Ų53.120%0.19625%0.247CC..THydrogen-bonded Turntrans53.144.1-177.1-75.5-104.3000113Y63 E64 R65 P268 G269 W271Y63-Y67 PolarHBondContact O-N 2.77Å; E64-Y67 PolarHBondContact O-N 3.18Å; R65-Y67 WeakPolarHBondContact O-CD2 3.18Å; R65-Y67 PolarHBondContact O-N 3.07Å; Y67-P268 VanDerWaalsContact C-CG 3.46Å; Y67-P268 HydrophobicContact CD1-CB 3.73Å; Y67-P268 HydrophobicContact CG-CB 4.21Å; Y67-P268 WeakPolarHBondContact O-CG 3.25Å; Y67-G269 VanDerWaalsContact CD1-O 3.26Å; Y67-G269 WeakPolarHBondContact CD1-O 3.45Å; Y67-G269 WeakPolarHBondContact CE1-O 3.26Å; Y67-W271 PolarHBondContact O-NE1 2.76Å
68K98.8Very high98.6Very high91 Ų9151 Ų5140%0.39626%0.259SS..  trans-100.6118.4-178178173.1173.1176.10111.1E47 Y63 P66E47-K68 WeakPolarHBondContact OE2-CE 3.47Å; E47-K68 IonicContact OE2-NZ 2.66Å; E47-K68 PolarHBondContact OE2-NZ 3.23Å; Y63-K68 HydrophobicContact CD1-CD 4.42Å; Y63-K68 HydrophobicContact CD1-CG 4.44Å; Y63-K68 PolarHBondContact O-N 2.86Å; P66-K68 VanDerWaalsContact C-N 3.29Å; P66-K68 HydrophobicContact CG-CB 4.31Å; P66-K68 PolarHBondContact O-N 3.07Å
69P98.9Very high98.6Very high4 Ų449.2 Ų49.23%0.02625%0.249CC..  trans-60.3142172.9-20.631.7000111.5L208 L255 P268 W271P69-L208 HydrophobicContact CB-CD2 4.28Å; P69-L208 HydrophobicContact CG-CD2 4.31Å; P69-L255 HydrophobicContact CB-CD1 4.44Å; P69-L255 HydrophobicContact CG-CD1 4.01Å; P69-P268 HydrophobicContact CG-CG 4.03Å; P69-W271 VanDerWaalsContact CD-CZ2 3.43Å; P69-W271 HydrophobicContact CG-CD2 3.69Å; P69-W271 HydrophobicContact CG-CE3 3.91Å; P69-W271 HydrophobicContact CG-CG 4.26Å; P69-W271 HydrophobicContact CG-CH2 4.02Å; P69-W271 HydrophobicContact CG-CZ2 3.8Å; P69-W271 HydrophobicContact CG-CZ3 4.08Å
70V98.9Very high98.6Very high0 Ų050.9 Ų50.90%026%0.261CS..EExtended strand (participates in β ladder)trans-149.2150.1177.3670000110.1E47 A49 F59 Y63 L72 F266E47-V70 HydrophobicContact CB-CG2 4.45Å; E47-V70 HydrophobicContact CG-CG2 4.47Å; E47-V70 WeakPolarHBondContact O-CG2 3.41Å; A49-V70 HydrophobicContact CB-CG2 3.98Å; F59-V70 HydrophobicContact CE2-CG1 4.17Å; Y63-V70 HydrophobicContact CD1-CB 3.66Å; Y63-V70 HydrophobicContact CD1-CG1 3.82Å; Y63-V70 HydrophobicContact CD1-CG2 3.97Å; Y63-V70 HydrophobicContact CD2-CG1 4.06Å; Y63-V70 HydrophobicContact CE1-CB 3.89Å; Y63-V70 HydrophobicContact CE1-CG1 4.32Å; Y63-V70 HydrophobicContact CE1-CG2 3.65Å; Y63-V70 HydrophobicContact CE2-CG2 4.44Å; Y63-V70 HydrophobicContact CG-CB 4.08Å; Y63-V70 HydrophobicContact CG-CG1 3.68Å; V70-L72 HydrophobicContact CG1-CD2 4.08Å; V70-L72 HydrophobicContact CG1-CG 4.42Å; V70-F266 HydrophobicContact CG1-CB 4.06Å; V70-F266 HydrophobicContact CG1-CD1 4.18Å; V70-F266 PolarHBondContact O-N 3.13Å
71V98.9Very high98.6Very high0 Ų049.8 Ų49.80%026%0.255CS..EExtended strand (participates in β ladder)trans-97.6119.2170178.10000109.3V46 E47 R48 A49 L73 I257 E263 V265V46-V71 HydrophobicContact CG1-CB 4.48Å; V46-V71 HydrophobicContact CG1-CG2 3.48Å; V46-V71 VanDerWaalsContact CG1-CG2 3.48Å; V46-V71 HydrophobicContact CG2-CG2 4.5Å; E47-V71 PolarHBondContact O-N 3.08Å; R48-V71 CarbonylContact C-O 3.44Å; R48-V71 VanDerWaalsContact CA-O 3.26Å; R48-V71 WeakPolarHBondContact CA-O 3.44Å; R48-V71 HydrophobicContact CG-CB 3.71Å; R48-V71 HydrophobicContact CG-CG1 3.94Å; A49-V71 PolarHBondContact N-O 3.39Å; V71-L73 HydrophobicContact CG1-CD2 4.5Å; V71-I257 HydrophobicContact CG2-CD1 4.17Å; V71-I257 HydrophobicContact CG2-CG2 3.7Å; V71-E263 HydrophobicContact CG1-CB 3.75Å; V71-E263 HydrophobicContact CG1-CG 4.04Å; V71-V265 HydrophobicContact CG2-CG2 4.19Å
72L98.9Very high98.6Very high0 Ų051.1 Ų51.10%026%0.261CS..EExtended strand (participates in β ladder)trans-89.5120.7177.4-59.5174.4000110.1A49 L54 F59 V70 A75 F155 F156 T264A49-L72 HydrophobicContact CB-CD2 4.4Å; A49-L72 WeakPolarHBondContact O-CA 3.21Å; L54-L72 HydrophobicContact CD2-CD2 4.07Å; F59-L72 HydrophobicContact CD2-CD2 4.29Å; F59-L72 HydrophobicContact CE2-CD1 4.25Å; F59-L72 HydrophobicContact CE2-CD2 4.32Å; V70-L72 HydrophobicContact CG1-CD2 4.08Å; V70-L72 HydrophobicContact CG1-CG 4.42Å; L72-A75 HydrophobicContact CB-CB 4.03Å; L72-F155 HydrophobicContact CD1-CD2 3.76Å; L72-F155 HydrophobicContact CD1-CE2 3.96Å; L72-F156 HydrophobicContact CD1-CE2 4.08Å; L72-F156 HydrophobicContact CD1-CZ 3.8Å; L72-T264 WeakPolarHBondContact CB-O 3.4Å; L72-T264 PolarHBondContact N-O 2.94Å; L72-T264 PolarHBondContact O-N 2.84Å
73L98.9Very high98.5Very high54 Ų5451.5 Ų51.528%0.28327%0.268SS..EExtended strand (participates in β ladder)trans-84.7153.8169.7-50.5-179.4000109.5R48 A49 A51 V71 A75 E263R48-L73 HydrophobicContact CB-CD1 4.3Å; R48-L73 HydrophobicContact CB-CD2 4.47Å; R48-L73 HydrophobicContact CB-CG 4.33Å; R48-L73 HydrophobicContact CG-CD2 4.26Å; A49-L73 PolarHBondContact O-N 3.37Å; A51-L73 WeakPolarHBondContact CB-O 3.45Å; A51-L73 PolarHBondContact N-O 3.41Å; V71-L73 HydrophobicContact CG1-CD2 4.5Å; L73-A75 PolarHBondContact O-N 2.78Å; L73-E263 HydrophobicContact CD2-CG 3.9Å
74N98.8Very high98.5Very high64 Ų6454.2 Ų54.234%0.34228%0.28SS..SBendtrans55.622.8175-50.8-36.3000114.6D50 L52 Q76 E77D50-N74 PolarHBondContact OD1-ND2 3.22Å; L52-N74 HydrophobicContact CD1-CB 3.92Å; L52-N74 HydrophobicContact CG-CB 3.8Å; N74-Q76 PolarHBondContact O-N 3.04Å; N74-E77 HydrophobicContact CB-CG 4.33Å; N74-E77 WeakPolarHBondContact O-CG 3.42Å
75A98.7Very high98.5Very high13 Ų1353.9 Ų53.911%0.10728%0.279CS..THydrogen-bonded Turntrans-81.5-2.5176.800000113A51 L72 L73 P153A51-A75 HydrophobicContact CB-CB 4.1Å; L72-A75 HydrophobicContact CB-CB 4.03Å; L73-A75 PolarHBondContact O-N 2.78Å; A75-P153 HydrophobicContact CB-CG 4.48Å
76Q98.6Very high98.5Very high22 Ų2249 Ų4910%0.10327%0.265CS..THydrogen-bonded Turntrans-113.217.5-176.7-55.4-178.125.500112.5N74 G78 W79 A198 L199 G262 E263 T264N74-Q76 PolarHBondContact O-N 3.04Å; Q76-G78 PolarHBondContact O-N 2.88Å; Q76-W79 HydrophobicContact CB-CD2 3.87Å; Q76-W79 HydrophobicContact CB-CE3 4.01Å; Q76-W79 HydrophobicContact CB-CG 4.13Å; Q76-W79 HydrophobicContact CB-CZ3 4.5Å; Q76-W79 HydrophobicContact CG-CD2 4.23Å; Q76-W79 HydrophobicContact CG-CE3 3.99Å; Q76-W79 HydrophobicContact CG-CH2 4.19Å; Q76-W79 HydrophobicContact CG-CZ2 4.38Å; Q76-W79 HydrophobicContact CG-CZ3 3.98Å; Q76-W79 VanDerWaalsContact O-CB 3.22Å; Q76-W79 WeakPolarHBondContact O-CB 3.38Å; Q76-W79 VanDerWaalsContact O-CG 3.25Å; Q76-W79 PolarHBondContact O-N 2.83Å; Q76-W79 VanDerWaalsContact O-N 3.1Å; Q76-A198 HydrophobicContact CG-CB 4.37Å; Q76-L199 PolarHBondContact NE2-O 3.19Å; Q76-L199 PolarHBondContact OE1-O 2.84Å; Q76-G262 VanDerWaalsContact NE2-C 3.25Å; Q76-G262 PolarHBondContact NE2-O 3.07Å; Q76-E263 PolarHBondContact NE2-O 2.74Å; Q76-T264 PolarHBondContact NE2-OG1 2.97Å
77E98Very high98.6Very high128 Ų12848 Ų4860%0.59826%0.256SS*.THydrogen-bonded Turntrans-56.9133.9-179.4-76.3-57.5123.500112.4L52 N74 W79L52-E77 HydrophobicContact CD2-CG 4.24Å; N74-E77 HydrophobicContact CB-CG 4.33Å; N74-E77 WeakPolarHBondContact O-CG 3.42Å; E77-W79 PolarHBondContact O-N 2.72Å
78G97.8Very high98.6Very high81 Ų8151.8 Ų51.884%0.83528%0.275SS*.THydrogen-bonded Turntrans72.56.1-177.900000115.3Q76 S80Q76-G78 PolarHBondContact O-N 2.88Å; G78-S80 PolarHBondContact O-N 3.5Å
79W98.7Very high98.5Very high18 Ų1852.6 Ų52.67%0.06828%0.276CS..  trans-73.9111.3177.5-73.325.2000111.3Q76 E77 A81 Q82 Y150 K151 W196 A198 V200 I284Q76-W79 HydrophobicContact CB-CD2 3.87Å; Q76-W79 HydrophobicContact CB-CE3 4.01Å; Q76-W79 HydrophobicContact CB-CG 4.13Å; Q76-W79 HydrophobicContact CB-CZ3 4.5Å; Q76-W79 HydrophobicContact CG-CD2 4.23Å; Q76-W79 HydrophobicContact CG-CE3 3.99Å; Q76-W79 HydrophobicContact CG-CH2 4.19Å; Q76-W79 HydrophobicContact CG-CZ2 4.38Å; Q76-W79 HydrophobicContact CG-CZ3 3.98Å; Q76-W79 VanDerWaalsContact O-CB 3.22Å; Q76-W79 WeakPolarHBondContact O-CB 3.38Å; Q76-W79 VanDerWaalsContact O-CG 3.25Å; Q76-W79 PolarHBondContact O-N 2.83Å; Q76-W79 VanDerWaalsContact O-N 3.1Å; E77-W79 PolarHBondContact O-N 2.72Å; W79-A81 HydrophobicContact CB-CB 4.35Å; W79-A81 HydrophobicContact CE3-CB 4.43Å; W79-A81 PolarHBondContact O-N 2.86Å; W79-Q82 PolarHBondContact O-N 2.75Å; W79-Q82 VanDerWaalsContact O-N 3.13Å; W79-Y150 VanDerWaalsContact CD2-CB 3.5Å; W79-Y150 VanDerWaalsContact CE3-CB 3.5Å; W79-Y150 HydrophobicContact CH2-CD2 4.22Å; W79-Y150 HydrophobicContact CH2-CG 4.45Å; W79-Y150 HydrophobicContact CZ2-CD2 4.27Å; W79-Y150 HydrophobicContact CZ3-CG 4.47Å; W79-K151 VanDerWaalsContact CE2-O 3.31Å; W79-K151 WeakPolarHBondContact CZ2-O 3.47Å; W79-K151 PolarHBondContact NE1-O 2.99Å; W79-W196 HydrophobicContact CH2-CZ3 4.13Å; W79-A198 HydrophobicContact CH2-CB 3.5Å; W79-A198 VanDerWaalsContact CH2-CB 3.5Å; W79-A198 HydrophobicContact CZ3-CB 3.68Å; W79-V200 HydrophobicContact CE3-CG2 4.34Å; W79-V200 HydrophobicContact CZ3-CG2 4.33Å; W79-I284 HydrophobicContact CH2-CG2 3.81Å; W79-I284 HydrophobicContact CZ3-CG2 3.66Å
80S98.7Very high98.5Very high36 Ų3652.5 Ų52.525%0.25228%0.275SS..THydrogen-bonded Turntrans-64.4-10.417366.90000113.7G78 Q82 E83 K84 D149G78-S80 PolarHBondContact O-N 3.5Å; S80-Q82 PolarHBondContact O-N 3.36Å; S80-E83 PolarHBondContact O-N 2.85Å; S80-K84 VanDerWaalsContact O-CB 3.25Å; S80-K84 WeakPolarHBondContact O-CB 3.24Å; S80-K84 VanDerWaalsContact O-CG 3.29Å; S80-K84 WeakPolarHBondContact O-CG 3.26Å; S80-K84 PolarHBondContact O-N 3.4Å; S80-K84 WeakPolarHBondContact OG-CE 3.28Å; S80-K84 PolarHBondContact OG-NZ 2.85Å; S80-D149 PolarHBondContact N-O 3.28Å; S80-D149 WeakPolarHBondContact OG-CA 3.43Å
81A98.6Very high98.5Very high0 Ų054.7 Ų54.70%029%0.285CS..Hα-helixtrans-53.4-35.8168.400000112.8W79 E83 K84 W85 D149 V200W79-A81 HydrophobicContact CB-CB 4.35Å; W79-A81 HydrophobicContact CE3-CB 4.43Å; W79-A81 PolarHBondContact O-N 2.86Å; A81-E83 PolarHBondContact O-N 3.32Å; A81-K84 PolarHBondContact O-N 3.22Å; A81-W85 HydrophobicContact CB-CD2 3.54Å; A81-W85 HydrophobicContact CB-CE3 3.79Å; A81-W85 HydrophobicContact CB-CG 3.9Å; A81-W85 HydrophobicContact CB-CH2 4.34Å; A81-W85 HydrophobicContact CB-CZ2 4.13Å; A81-W85 HydrophobicContact CB-CZ3 4.18Å; A81-W85 VanDerWaalsContact O-CB 3.26Å; A81-W85 WeakPolarHBondContact O-CB 3.16Å; A81-W85 PolarHBondContact O-N 3.4Å; A81-D149 HydrophobicContact CB-CB 4.16Å; A81-D149 VanDerWaalsContact CB-O 3.26Å; A81-D149 WeakPolarHBondContact CB-O 3.43Å; A81-D149 PolarHBondContact N-O 2.92Å; A81-V200 HydrophobicContact CB-CG1 4.08Å; A81-V200 HydrophobicContact CB-CG2 4.24Å
82Q97.4Very high98.5Very high147 Ų14761.6 Ų61.669%0.68731%0.311SS*.Hα-helixtrans-53.9-40.3-179.9-169.5178.625.900111.9W79 S80 Q201W79-Q82 PolarHBondContact O-N 2.75Å; W79-Q82 VanDerWaalsContact O-N 3.13Å; S80-Q82 PolarHBondContact O-N 3.36Å; Q82-Q201 PolarHBondContact O-NE2 3.11Å
83E98.1Very high98.5Very high136 Ų13666.1 Ų66.164%0.63633%0.33SS*.Hα-helixtrans-94.8-34.2177.7-61.3-178.9-176.900113.7S80 A81 R89S80-E83 PolarHBondContact O-N 2.85Å; A81-E83 PolarHBondContact O-N 3.32Å; E83-R89 VanDerWaalsContact O-CD 3.24Å; E83-R89 WeakPolarHBondContact O-CD 3.23Å
84K98.6Very high98.5Very high65 Ų6563.7 Ų63.728%0.28332%0.318SS..Hα-helixtrans-84.5-28.6-171.3-70.9174.7179.4166.30113.3S80 A81 T86 R89 D149S80-K84 VanDerWaalsContact O-CB 3.25Å; S80-K84 WeakPolarHBondContact O-CB 3.24Å; S80-K84 VanDerWaalsContact O-CG 3.29Å; S80-K84 WeakPolarHBondContact O-CG 3.26Å; S80-K84 PolarHBondContact O-N 3.4Å; S80-K84 WeakPolarHBondContact OG-CE 3.28Å; S80-K84 PolarHBondContact OG-NZ 2.85Å; A81-K84 PolarHBondContact O-N 3.22Å; K84-T86 VanDerWaalsContact C-N 3.3Å; K84-T86 PolarHBondContact O-N 3.12Å; K84-T86 VanDerWaalsContact O-N 3.13Å; K84-R89 VanDerWaalsContact O-CB 3.26Å; K84-R89 WeakPolarHBondContact O-CB 3.41Å; K84-D149 WeakPolarHBondContact CD-OD1 3.39Å; K84-D149 IonicContact NZ-OD1 3.34Å; K84-D149 PolarHBondContact NZ-OD1 3.25Å
85W98.8Very high98.5Very high0 Ų066.4 Ų66.40%032%0.323CS..  trans-90.767.7-175.9-67.76.5000110.7A81 L90 L146 D149 Y150 F175 V200 Q201 I282 I284A81-W85 HydrophobicContact CB-CD2 3.54Å; A81-W85 HydrophobicContact CB-CE3 3.79Å; A81-W85 HydrophobicContact CB-CG 3.9Å; A81-W85 HydrophobicContact CB-CH2 4.34Å; A81-W85 HydrophobicContact CB-CZ2 4.13Å; A81-W85 HydrophobicContact CB-CZ3 4.18Å; A81-W85 VanDerWaalsContact O-CB 3.26Å; A81-W85 WeakPolarHBondContact O-CB 3.16Å; A81-W85 PolarHBondContact O-N 3.4Å; W85-L90 HydrophobicContact CB-CD1 4.38Å; W85-L146 HydrophobicContact CZ2-CD2 4.22Å; W85-D149 HydrophobicContact CZ2-CB 3.95Å; W85-D149 VanDerWaalsContact NE1-CB 3.32Å; W85-D149 PolarHBondContact NE1-OD2 2.82Å; W85-Y150 AromaticContact CH2-CD1 3.97Å; W85-Y150 HydrophobicContact CH2-CD1 3.97Å; W85-Y150 HydrophobicContact CZ2-CD1 4.09Å; W85-F175 HydrophobicContact CD2-CE2 4.26Å; W85-F175 HydrophobicContact CE3-CE2 4.22Å; W85-F175 HydrophobicContact CH2-CD2 4.3Å; W85-F175 HydrophobicContact CH2-CE2 4.47Å; W85-F175 HydrophobicContact CZ2-CD2 4.49Å; W85-F175 HydrophobicContact CZ3-CD2 4.44Å; W85-F175 HydrophobicContact CZ3-CE2 4.33Å; W85-V200 HydrophobicContact CB-CG1 4.45Å; W85-V200 HydrophobicContact CE3-CB 4.09Å; W85-V200 HydrophobicContact CE3-CG1 4.31Å; W85-V200 HydrophobicContact CE3-CG2 3.71Å; W85-V200 HydrophobicContact CZ3-CG2 3.78Å; W85-Q201 WeakPolarHBondContact O-CG 3.4Å; W85-I282 HydrophobicContact CB-CG2 4.18Å; W85-I282 HydrophobicContact CD2-CG2 4.3Å; W85-I282 HydrophobicContact CE3-CG2 3.73Å; W85-I282 WeakPolarHBondContact O-CD1 3.23Å; W85-I284 HydrophobicContact CH2-CB 4Å; W85-I284 HydrophobicContact CH2-CG2 4.27Å; W85-I284 HydrophobicContact CZ3-CB 4.13Å; W85-I284 HydrophobicContact CZ3-CG2 4.33Å
86T98.8Very high98.4Very high46 Ų4669.5 Ų69.528%0.28234%0.338SS..SBendtrans-114.3157169.571.30000109.9K84 E88 R89 L90K84-T86 VanDerWaalsContact C-N 3.3Å; K84-T86 PolarHBondContact O-N 3.12Å; K84-T86 VanDerWaalsContact O-N 3.13Å; T86-E88 VanDerWaalsContact C-N 3.27Å; T86-E88 PolarHBondContact O-N 3.09Å; T86-R89 PolarHBondContact O-N 3.12Å; T86-R89 WeakPolarHBondContact OG1-CB 3.38Å; T86-R89 WeakPolarHBondContact OG1-CG 3.31Å; T86-R89 PolarHBondContact OG1-N 3.39Å; T86-L90 WeakPolarHBondContact O-CB 3.32Å; T86-L90 VanDerWaalsContact O-CG 3.3Å; T86-L90 WeakPolarHBondContact O-CG 3.31Å; T86-L90 PolarHBondContact O-N 2.99Å
87L98.4Very high98.5Very high52 Ų5270.8 Ų70.827%0.27234%0.344SS..Hα-helixtrans-51.8-47.7177.9-65.6-171000111.5K91 I118 M121 M177 T280L87-K91 WeakPolarHBondContact O-CB 3.28Å; L87-K91 PolarHBondContact O-N 2.94Å; L87-I118 HydrophobicContact CD2-CG1 4.49Å; L87-I118 WeakPolarHBondContact O-CD1 3.49Å; L87-M121 HydrophobicContact CD2-CE 3.68Å; L87-M177 HydrophobicContact CD2-CE 3.17Å; L87-T280 HydrophobicContact CD1-CG2 4.26Å; L87-T280 HydrophobicContact CD2-CG2 3.89Å; L87-T280 HydrophobicContact CG-CG2 4.32Å
88E98.4Very high98.5Very high131 Ų13170.4 Ų70.461%0.61234%0.34SS*.Hα-helixtrans-62.2-50.6-179-167-151.8131.100112.3T86 K91 R92T86-E88 VanDerWaalsContact C-N 3.27Å; T86-E88 PolarHBondContact O-N 3.09Å; E88-K91 PolarHBondContact O-N 3.31Å; E88-R92 WeakPolarHBondContact O-CB 3.28Å; E88-R92 PolarHBondContact O-N 2.92Å; E88-R92 IonicContact OE1-CZ 2.74Å; E88-R92 IonicContact OE1-NH1 3.23Å; E88-R92 PolarHBondContact OE1-NH1 3.45Å
89R98.7Very high98.5Very high107 Ų10766.6 Ų66.640%0.40430%0.301SS..Hα-helixtrans-67-40.5-177.1-73.1-175.9170.1-137.50.1111.7E83 K84 T86 R92 K93E83-R89 VanDerWaalsContact O-CD 3.24Å; E83-R89 WeakPolarHBondContact O-CD 3.23Å; K84-R89 VanDerWaalsContact O-CB 3.26Å; K84-R89 WeakPolarHBondContact O-CB 3.41Å; T86-R89 PolarHBondContact O-N 3.12Å; T86-R89 WeakPolarHBondContact OG1-CB 3.38Å; T86-R89 WeakPolarHBondContact OG1-CG 3.31Å; T86-R89 PolarHBondContact OG1-N 3.39Å; R89-R92 PolarHBondContact O-N 3.44Å; R89-K93 WeakPolarHBondContact O-CB 3.37Å; R89-K93 PolarHBondContact O-N 2.85Å
90L98.7Very high98.5Very high2 Ų265.9 Ų65.91%0.0130%0.298CS..Hα-helixtrans-67.8-42.4175.7-67.2173.9000111.7W85 T86 R92 Y94 L146 F175 M177 I282W85-L90 HydrophobicContact CB-CD1 4.38Å; T86-L90 WeakPolarHBondContact O-CB 3.32Å; T86-L90 VanDerWaalsContact O-CG 3.3Å; T86-L90 WeakPolarHBondContact O-CG 3.31Å; T86-L90 PolarHBondContact O-N 2.99Å; L90-R92 PolarHBondContact O-N 2.83Å; L90-Y94 HydrophobicContact CD2-CD2 3.7Å; L90-Y94 HydrophobicContact CD2-CE2 3.72Å; L90-Y94 PolarHBondContact O-N 3.4Å; L90-L146 HydrophobicContact CD2-CD2 4.29Å; L90-F175 HydrophobicContact CD1-CZ 4.18Å; L90-M177 HydrophobicContact CD1-CE 4.07Å; L90-M177 HydrophobicContact CD1-SD 4.49Å; L90-I282 HydrophobicContact CD1-CD1 3.84Å
91K98.4Very high98.5Very high47 Ų4764.4 Ų64.420%0.20429%0.287CS..Hα-helixtrans-59-35.9174.1-161.8175-163.1163.80111.6L87 E88 R95 I118 E122L87-K91 WeakPolarHBondContact O-CB 3.28Å; L87-K91 PolarHBondContact O-N 2.94Å; E88-K91 PolarHBondContact O-N 3.31Å; K91-R95 WeakPolarHBondContact O-CA 3.26Å; K91-R95 WeakPolarHBondContact O-CB 3.35Å; K91-R95 PolarHBondContact O-N 3.22Å; K91-I118 HydrophobicContact CB-CD1 3.54Å; K91-I118 HydrophobicContact CD-CB 4.42Å; K91-I118 HydrophobicContact CD-CD1 4.48Å; K91-I118 HydrophobicContact CD-CG2 3.94Å; K91-I118 HydrophobicContact CG-CD1 4.03Å; K91-E122 IonicContact NZ-OE1 3.53Å; K91-E122 PolarHBondContact NZ-OE1 3.08Å; K91-E122 IonicContact NZ-OE2 2.67Å; K91-E122 PolarHBondContact NZ-OE2 2.93Å
92R98.4Very high98.2Very high144 Ų14465 Ų6554%0.54329%0.294SS..Hα-helixtrans-75.3-58.8176.8-176.3170.262.9-121.75.5112E88 R89 L90E88-R92 WeakPolarHBondContact O-CB 3.28Å; E88-R92 PolarHBondContact O-N 2.92Å; E88-R92 IonicContact OE1-CZ 2.74Å; E88-R92 IonicContact OE1-NH1 3.23Å; E88-R92 PolarHBondContact OE1-NH1 3.45Å; R89-R92 PolarHBondContact O-N 3.44Å; L90-R92 PolarHBondContact O-N 2.83Å
93K98.5Very high98Very high95 Ų9559.4 Ų59.441%0.41327%0.267SS..Hα-helixtrans-66.4-42.5-173.8-172.5176.5176.7-167.20112.5R89 D149R89-K93 WeakPolarHBondContact O-CB 3.37Å; R89-K93 PolarHBondContact O-N 2.85Å; K93-D149 IonicContact NZ-OD1 2.81Å; K93-D149 IonicContact NZ-OD2 2.91Å
94Y98.7Very high97.5Very high4 Ų455.2 Ų55.22%0.01625%0.25CC..THydrogen-bonded Turntrans-108.315.2-175.1-57.2-79.3000113.7L90 N96 Q97 F99 M114 K142 L146L90-Y94 HydrophobicContact CD2-CD2 3.7Å; L90-Y94 HydrophobicContact CD2-CE2 3.72Å; L90-Y94 PolarHBondContact O-N 3.4Å; Y94-N96 PolarHBondContact O-N 2.97Å; Y94-Q97 HydrophobicContact CD1-CG 4.21Å; Y94-Q97 WeakPolarHBondContact O-CB 3.45Å; Y94-Q97 PolarHBondContact O-N 3.2Å; Y94-F99 HydrophobicContact CD1-CZ 4.34Å; Y94-F99 HydrophobicContact CG-CZ 4.33Å; Y94-M114 WeakPolarHBondContact O-CB 3.15Å; Y94-K142 WeakPolarHBondContact CE1-O 3.37Å; Y94-L146 HydrophobicContact CE1-CG 4.23Å; Y94-L146 HydrophobicContact CE2-CD2 3.7Å; Y94-L146 HydrophobicContact CE2-CG 4.25Å; Y94-L146 PolarHBondContact OH-N 2.96Å
95R98.6Very high96.9Very high121 Ų12158.5 Ų58.546%0.45727%0.27SS..THydrogen-bonded Turntrans-32.9-50.1-173.8-169.9171.3176.578.1-3.8115.8K91 K115K91-R95 WeakPolarHBondContact O-CA 3.26Å; K91-R95 WeakPolarHBondContact O-CB 3.35Å; K91-R95 PolarHBondContact O-N 3.22Å; R95-K115 HydrophobicContact CG-CB 4.06Å; R95-K115 HydrophobicContact CG-CD 3.87Å; R95-K115 WeakPolarHBondContact O-CB 3.27Å; R95-K115 WeakPolarHBondContact O-CD 3.38Å; R95-K115 WeakPolarHBondContact O-CG 3.15Å; R95-K115 PolarHBondContact O-N 2.7Å
96N98.6Very high96.3Very high78 Ų7864.9 Ų64.942%0.41730%0.304SS..THydrogen-bonded Turntrans-107.72.2-173.8-71.3-53.4000114.4Y94 K113 K115Y94-N96 PolarHBondContact O-N 2.97Å; N96-K113 HydrophobicContact CB-CD 4.43Å; N96-K113 WeakPolarHBondContact O-CE 3.02Å; N96-K115 PolarHBondContact OD1-NZ 3.1Å
97Q98.8Very high95.7Very high48 Ų4864.8 Ų64.822%0.22431%0.312CS..  trans-75.9140.3173.6-59.1-48.5-57.400109.8Y94 F99 K113 M114 K142 R143Y94-Q97 HydrophobicContact CD1-CG 4.21Å; Y94-Q97 WeakPolarHBondContact O-CB 3.45Å; Y94-Q97 PolarHBondContact O-N 3.2Å; Q97-F99 HydrophobicContact CB-CE2 3.88Å; Q97-K113 CarbonylContact O-C 3.58Å; Q97-K113 VanDerWaalsContact O-CA 3.25Å; Q97-K113 WeakPolarHBondContact O-CA 3.1Å; Q97-M114 PolarHBondContact O-N 3.26Å; Q97-K142 HydrophobicContact CG-CB 4.17Å; Q97-K142 VanDerWaalsContact NE2-CD 3.26Å; Q97-R143 HydrophobicContact CB-CG 3.96Å; Q97-R143 HydrophobicContact CG-CG 4.14Å
98K98.6Very high95.4Very high121 Ų12170 Ų7053%0.52633%0.329SS..EExtended strand (participates in β ladder)trans-91138.3176.2-63.2-174.9-179.1-1780109.7K111 M112 K113 R143K98-K111 HydrophobicContact CB-CB 3.91Å; K98-K111 HydrophobicContact CD-CB 4.32Å; K98-M112 CarbonylContact C-O 3.58Å; K98-M112 VanDerWaalsContact CA-O 3.29Å; K98-M112 WeakPolarHBondContact CA-O 3.21Å; K98-K113 HydrophobicContact CG-CG 3.98Å; K98-R143 WeakPolarHBondContact O-CD 3.26Å; K98-R143 PolarHBondContact O-NH1 3.22Å
99F98.8Very high95.2Very high1 Ų166.1 Ų66.10%0.00432%0.317CS..EExtended strand (participates in β ladder)trans-123.5144173.4-70.3-98.8000109Y94 Q97 K111 M112 M114 I132 D134 R143 L146 F175Y94-F99 HydrophobicContact CD1-CZ 4.34Å; Y94-F99 HydrophobicContact CG-CZ 4.33Å; Q97-F99 HydrophobicContact CB-CE2 3.88Å; F99-K111 CarbonylContact O-C 3.59Å; F99-K111 WeakPolarHBondContact O-CA 3.47Å; F99-K111 WeakPolarHBondContact O-CB 3.04Å; F99-M112 PolarHBondContact N-O 3.03Å; F99-M112 PolarHBondContact O-N 3.4Å; F99-M114 HydrophobicContact CD2-CB 4.37Å; F99-M114 HydrophobicContact CD2-CE 3.8Å; F99-M114 HydrophobicContact CE2-CB 4.28Å; F99-M114 HydrophobicContact CE2-CE 3.64Å; F99-M114 HydrophobicContact CG-CE 4.34Å; F99-M114 HydrophobicContact CZ-CE 4.04Å; F99-I132 HydrophobicContact CB-CD1 3.84Å; F99-I132 HydrophobicContact CB-CG1 4.1Å; F99-I132 HydrophobicContact CB-CG2 4.07Å; F99-I132 HydrophobicContact CD1-CG2 4.5Å; F99-I132 HydrophobicContact CG-CD1 4.39Å; F99-D134 WeakPolarHBondContact CA-OD2 3.13Å; F99-D134 HydrophobicContact CB-CB 4.4Å; F99-D134 HydrophobicContact CD1-CB 3.93Å; F99-R143 HydrophobicContact CE1-CG 4.33Å; F99-R143 HydrophobicContact CE2-CG 4.43Å; F99-R143 HydrophobicContact CZ-CG 3.95Å; F99-L146 HydrophobicContact CE1-CD1 3.86Å; F99-L146 HydrophobicContact CZ-CD1 4.18Å; F99-F175 HydrophobicContact CD1-CD1 4.18Å; F99-F175 HydrophobicContact CE1-CD1 4.14Å
100K98.7Very high95.2Very high3 Ų361.6 Ų61.61%0.01330%0.301CS..EExtended strand (participates in β ladder)trans-62.1131.3174.1-176.8-179.1179-171.20109.4E103 V110 I132 F133 D134 D345K100-E103 VanDerWaalsContact CE-OE1 3.25Å; K100-E103 WeakPolarHBondContact CE-OE1 3.39Å; K100-E103 IonicContact NZ-OE1 2.67Å; K100-E103 PolarHBondContact NZ-OE1 3.02Å; K100-V110 WeakPolarHBondContact CA-O 3.28Å; K100-I132 WeakPolarHBondContact O-CA 3.3Å; K100-F133 PolarHBondContact O-N 3.13Å; K100-F133 VanDerWaalsContact O-N 3.09Å; K100-D134 HydrophobicContact CB-CB 4.3Å; K100-D134 PolarHBondContact N-OD2 2.87Å; K100-D345 IonicContact NZ-OD2 3.99Å; K100-D345 PolarHBondContact NZ-OD2 3.3Å
101C97.7Very high95.2Very high4 Ų465.2 Ų65.23%0.02732%0.317CS..EExtended strand (participates in β ladder)trans-138.125.2177.665.30000113V110 Y117 Y131 I132C101-V110 PolarHBondContact N-O 3.09Å; C101-Y117 HydrophobicContact CB-CE2 4.42Å; C101-Y131 CarbonylContact C-O 3.53Å; C101-Y131 WeakPolarHBondContact CA-O 3.37Å; C101-I132 HydrophobicContact CB-CG1 4.23Å
102G93.6Very high95.2Very high13 Ų1363.3 Ų63.313%0.13431%0.309CS..EExtended strand (participates in β ladder)trans154.4178.9-178.200000111.5V110G102-V110 PolarHBondContact O-N 2.89Å
103E92.2Very high95.2Very high29 Ų2959.7 Ų59.714%0.13630%0.297CS..EExtended strand (participates in β ladder)trans-129.7154170.7-57.5-173.6160.500109.7A16 K100 Y108 D345 S348A16-E103 WeakPolarHBondContact CA-O 3.33Å; K100-E103 VanDerWaalsContact CE-OE1 3.25Å; K100-E103 WeakPolarHBondContact CE-OE1 3.39Å; K100-E103 IonicContact NZ-OE1 2.67Å; K100-E103 PolarHBondContact NZ-OE1 3.02Å; E103-Y108 CarbonylContact C-O 3.58Å; E103-Y108 VanDerWaalsContact CA-O 3.31Å; E103-Y108 WeakPolarHBondContact CA-O 3.22Å; E103-D345 WeakPolarHBondContact OE1-CB 3.43Å; E103-S348 WeakPolarHBondContact CB-OG 3.08Å; E103-S348 WeakPolarHBondContact CG-OG 3.42Å
104D88.3Confident95.2Very high49 Ų4955.1 Ų55.126%0.26228%0.277SS..  trans-92.6177.1171.964.924.5000112.1S15 D106 G107 Y108 V110S15-D104 WeakPolarHBondContact O-CA 3.31Å; D104-D106 PolarHBondContact O-N 2.86Å; D104-D106 VanDerWaalsContact O-N 3.07Å; D104-D106 PolarHBondContact OD1-N 3.01Å; D104-D106 VanDerWaalsContact OD1-N 3.14Å; D104-G107 PolarHBondContact O-N 3.41Å; D104-G107 PolarHBondContact OD1-N 3.38Å; D104-Y108 PolarHBondContact N-O 3.12Å; D104-Y108 WeakPolarHBondContact OD1-CB 3.37Å; D104-Y108 PolarHBondContact OD1-N 3.28Å; D104-V110 HydrophobicContact CB-CG2 4.21Å
105N85.9Confident95.2Very high134 Ų13456.4 Ų56.472%0.71728%0.283SS*.THydrogen-bonded Turntrans-57.6-23.1-178.2-72.4-24.7000114.4P18P18-N105 WeakPolarHBondContact CG-OD1 3.49Å
106D84.8Confident95.2Very high133 Ų13351.4 Ų51.471%0.71126%0.264SS*.THydrogen-bonded Turntrans-95.33.7-179.8-62.2-41.9000111.7D104 Y108D104-D106 PolarHBondContact O-N 2.86Å; D104-D106 VanDerWaalsContact O-N 3.07Å; D104-D106 PolarHBondContact OD1-N 3.01Å; D104-D106 VanDerWaalsContact OD1-N 3.14Å; D106-Y108 HydrophobicContact CB-CD2 3.63Å; D106-Y108 HydrophobicContact CB-CE2 3.64Å
107G85.9Confident95.2Very high44 Ų4447.7 Ų47.745%0.45424%0.244SC..SBendtrans79.513.5-179.300000114.1D104D104-G107 PolarHBondContact O-N 3.41Å; D104-G107 PolarHBondContact OD1-N 3.38Å
108Y92.3Very high95.2Very high161 Ų16145.4 Ų45.463%0.63123%0.234SC*.PPolyproline II helixtrans-81.8140.7174.8-62-74.5000111.2E103 D104 D106 V110E103-Y108 CarbonylContact C-O 3.58Å; E103-Y108 VanDerWaalsContact CA-O 3.31Å; E103-Y108 WeakPolarHBondContact CA-O 3.22Å; D104-Y108 PolarHBondContact N-O 3.12Å; D104-Y108 WeakPolarHBondContact OD1-CB 3.37Å; D104-Y108 PolarHBondContact OD1-N 3.28Å; D106-Y108 HydrophobicContact CB-CD2 3.63Å; D106-Y108 HydrophobicContact CB-CE2 3.64Å; Y108-V110 PolarHBondContact O-N 2.79Å
109S95.7Very high95.2Very high51 Ų5141.3 Ų41.336%0.35722%0.216SC..EExtended strand (participates in β ladder)trans-63.7121.9178.5-54.90000112.4K111S109-K111 VanDerWaalsContact CB-CE 3.44Å
110V97.9Very high95.2Very high12 Ų1241.5 Ų41.57%0.07322%0.217CC..EExtended strand (participates in β ladder)trans-79.5121.9166.9-1790000108.2A12 A16 K100 C101 G102 D104 Y108A12-V110 HydrophobicContact CB-CG1 4.07Å; A16-V110 HydrophobicContact CB-CB 4.36Å; A16-V110 HydrophobicContact CB-CG1 4.29Å; A16-V110 HydrophobicContact CB-CG2 4.3Å; K100-V110 WeakPolarHBondContact CA-O 3.28Å; C101-V110 PolarHBondContact N-O 3.09Å; G102-V110 PolarHBondContact O-N 2.89Å; D104-V110 HydrophobicContact CB-CG2 4.21Å; Y108-V110 PolarHBondContact O-N 2.79Å
111K98.4Very high95.2Very high78 Ų7842.1 Ų42.134%0.33922%0.22SC..EExtended strand (participates in β ladder)trans-126.3136.2-174.7-49.3-172-180-174.70113K98 F99 S109K98-K111 HydrophobicContact CB-CB 3.91Å; K98-K111 HydrophobicContact CD-CB 4.32Å; F99-K111 CarbonylContact O-C 3.59Å; F99-K111 WeakPolarHBondContact O-CA 3.47Å; F99-K111 WeakPolarHBondContact O-CB 3.04Å; S109-K111 VanDerWaalsContact CB-CE 3.44Å
112M98.3Very high95.2Very high7 Ų747.6 Ų47.63%0.03425%0.245CC..EExtended strand (participates in β ladder)trans-121.9147.8176.2-173.3153.256.700111.7I9 A12 K98 F99 Y116 Y117 L130I9-M112 HydrophobicContact CG1-CE 4.28Å; I9-M112 HydrophobicContact CG1-SD 3.85Å; A12-M112 HydrophobicContact CB-SD 4.39Å; K98-M112 CarbonylContact C-O 3.58Å; K98-M112 VanDerWaalsContact CA-O 3.29Å; K98-M112 WeakPolarHBondContact CA-O 3.21Å; F99-M112 PolarHBondContact N-O 3.03Å; F99-M112 PolarHBondContact O-N 3.4Å; M112-Y116 HydrophobicContact CG-CD2 4.5Å; M112-Y117 HydrophobicContact CE-CD2 3.72Å; M112-Y117 HydrophobicContact CE-CG 4.38Å; M112-L130 HydrophobicContact CE-CD1 4.39Å
113K98.8Very high95.4Very high67 Ų6749.9 Ų49.929%0.29126%0.259SS..EExtended strand (participates in β ladder)trans-68.1139.7175.3-71.7-177168.1-174.90110.1N96 Q97 K98 K115 Y116 Y117N96-K113 HydrophobicContact CB-CD 4.43Å; N96-K113 WeakPolarHBondContact O-CE 3.02Å; Q97-K113 CarbonylContact O-C 3.58Å; Q97-K113 VanDerWaalsContact O-CA 3.25Å; Q97-K113 WeakPolarHBondContact O-CA 3.1Å; K98-K113 HydrophobicContact CG-CG 3.98Å; K113-K115 HydrophobicContact CB-CG 4.38Å; K113-K115 PolarHBondContact O-N 3.13Å; K113-K115 VanDerWaalsContact O-N 3.11Å; K113-Y116 HydrophobicContact CB-CD2 3.77Å; K113-Y116 HydrophobicContact CB-CE2 4.18Å; K113-Y116 HydrophobicContact CD-CD2 4.49Å; K113-Y116 HydrophobicContact CD-CE2 4.05Å; K113-Y116 HydrophobicContact CG-CD2 4.41Å; K113-Y116 HydrophobicContact CG-CE2 4.43Å; K113-Y116 PolarHBondContact O-N 2.88Å; K113-Y117 PolarHBondContact O-N 2.9Å; K113-Y117 VanDerWaalsContact O-N 3.09Å
114M98.8Very high95.7Very high0 Ų049.3 Ų49.30%026%0.258CS..Hα-helixtrans-48.1-44.3-179.3-177.956.376.400113.1Y94 Q97 F99 Y116 Y117 I118 I132 F175 M177Y94-M114 WeakPolarHBondContact O-CB 3.15Å; Q97-M114 PolarHBondContact O-N 3.26Å; F99-M114 HydrophobicContact CD2-CB 4.37Å; F99-M114 HydrophobicContact CD2-CE 3.8Å; F99-M114 HydrophobicContact CE2-CB 4.28Å; F99-M114 HydrophobicContact CE2-CE 3.64Å; F99-M114 HydrophobicContact CG-CE 4.34Å; F99-M114 HydrophobicContact CZ-CE 4.04Å; M114-Y116 VanDerWaalsContact C-N 3.31Å; M114-Y116 PolarHBondContact O-N 3.27Å; M114-Y117 PolarHBondContact O-N 2.61Å; M114-I118 HydrophobicContact CG-CD1 3.82Å; M114-I118 HydrophobicContact CG-CG1 4.43Å; M114-I118 WeakPolarHBondContact O-CG1 3.48Å; M114-I118 PolarHBondContact O-N 3.07Å; M114-I118 HydrophobicContact SD-CD1 3.65Å; M114-I118 HydrophobicContact SD-CG1 3.86Å; M114-I132 HydrophobicContact CE-CD1 4.2Å; M114-I132 HydrophobicContact SD-CD1 4.47Å; M114-F175 HydrophobicContact CE-CE1 4.3Å; M114-M177 HydrophobicContact CE-SD 4.05Å; M114-M177 HydrophobicContact SD-SD 3.94Å
115K98.6Very high96.2Very high30 Ų3053.5 Ų53.513%0.1327%0.27CS..Hα-helixtrans-59.2-38.5178.472.3-170.6-175.5-173.30114.1R95 N96 K113 E119R95-K115 HydrophobicContact CG-CB 4.06Å; R95-K115 HydrophobicContact CG-CD 3.87Å; R95-K115 WeakPolarHBondContact O-CB 3.27Å; R95-K115 WeakPolarHBondContact O-CD 3.38Å; R95-K115 WeakPolarHBondContact O-CG 3.15Å; R95-K115 PolarHBondContact O-N 2.7Å; N96-K115 PolarHBondContact OD1-NZ 3.1Å; K113-K115 HydrophobicContact CB-CG 4.38Å; K113-K115 PolarHBondContact O-N 3.13Å; K113-K115 VanDerWaalsContact O-N 3.11Å; K115-E119 VanDerWaalsContact O-CG 3.26Å; K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 2.79Å; K115-E119 VanDerWaalsContact O-N 3.16Å
116Y98.7Very high96.8Very high17 Ų1747.5 Ų47.57%0.06724%0.238CC..Hα-helixtrans-76.9-33.7179.8-61-43.3000111R8 M112 K113 M114 Y120R8-Y116 HydrophobicContact CB-CD2 4.05Å; R8-Y116 HydrophobicContact CB-CE2 4.35Å; R8-Y116 HydrophobicContact CB-CG 4.47Å; R8-Y116 HydrophobicContact CG-CD2 4.1Å; R8-Y116 HydrophobicContact CG-CE2 3.89Å; M112-Y116 HydrophobicContact CG-CD2 4.5Å; K113-Y116 HydrophobicContact CB-CD2 3.77Å; K113-Y116 HydrophobicContact CB-CE2 4.18Å; K113-Y116 HydrophobicContact CD-CD2 4.49Å; K113-Y116 HydrophobicContact CD-CE2 4.05Å; K113-Y116 HydrophobicContact CG-CD2 4.41Å; K113-Y116 HydrophobicContact CG-CE2 4.43Å; K113-Y116 PolarHBondContact O-N 2.88Å; M114-Y116 VanDerWaalsContact C-N 3.31Å; M114-Y116 PolarHBondContact O-N 3.27Å; Y116-Y120 WeakPolarHBondContact O-CB 3.31Å; Y116-Y120 PolarHBondContact O-N 2.72Å
117Y98.8Very high97.5Very high0 Ų041.2 Ų41.20%020%0.204CC..Hα-helixtrans-67.7-41.4175.4-173.1-100.1000112.2C101 M112 K113 M114 Y120 M121 L130 Y131 I132 M177C101-Y117 HydrophobicContact CB-CE2 4.42Å; M112-Y117 HydrophobicContact CE-CD2 3.72Å; M112-Y117 HydrophobicContact CE-CG 4.38Å; K113-Y117 PolarHBondContact O-N 2.9Å; K113-Y117 VanDerWaalsContact O-N 3.09Å; M114-Y117 PolarHBondContact O-N 2.61Å; Y117-Y120 HydrophobicContact CD2-CD1 4.24Å; Y117-Y120 HydrophobicContact CE2-CD1 4.16Å; Y117-Y120 HydrophobicContact CE2-CE1 4.49Å; Y117-Y120 VanDerWaalsContact O-CB 3.32Å; Y117-Y120 WeakPolarHBondContact O-CB 3.46Å; Y117-Y120 PolarHBondContact O-N 2.88Å; Y117-Y120 VanDerWaalsContact O-N 3.16Å; Y117-M121 HydrophobicContact CD1-CE 3.97Å; Y117-M121 HydrophobicContact CD1-CG 4.19Å; Y117-M121 HydrophobicContact CD1-SD 4.01Å; Y117-M121 HydrophobicContact CE1-CE 3.93Å; Y117-M121 HydrophobicContact CE1-CG 3.84Å; Y117-M121 HydrophobicContact CE1-SD 3.41Å; Y117-M121 WeakPolarHBondContact CE1-SD 3.36Å; Y117-M121 WeakPolarHBondContact O-CG 3.41Å; Y117-M121 PolarHBondContact O-N 2.99Å; Y117-L130 HydrophobicContact CE2-CB 4.45Å; Y117-L130 PolarHBondContact OH-O 3.43Å; Y117-L130 VanDerWaalsContact OH-O 3.06Å; Y117-Y131 WeakPolarHBondContact OH-CA 3.35Å; Y117-I132 HydrophobicContact CD1-CD1 3.18Å; Y117-I132 HydrophobicContact CD1-CG1 3.75Å; Y117-I132 HydrophobicContact CD2-CD1 4.05Å; Y117-I132 HydrophobicContact CD2-CG1 3.89Å; Y117-I132 HydrophobicContact CE1-CB 4.09Å; Y117-I132 HydrophobicContact CE1-CD1 3.45Å; Y117-I132 VanDerWaalsContact CE1-CD1 3.45Å; Y117-I132 HydrophobicContact CE1-CG1 3.59Å; Y117-I132 HydrophobicContact CE2-CD1 4.31Å; Y117-I132 HydrophobicContact CE2-CG1 3.78Å; Y117-I132 HydrophobicContact CG-CD1 3.49Å; Y117-I132 VanDerWaalsContact CG-CD1 3.49Å; Y117-I132 HydrophobicContact CG-CG1 3.87Å; Y117-I132 PolarHBondContact OH-N 3.49Å; Y117-M177 HydrophobicContact CD1-SD 4.37Å; Y117-M177 HydrophobicContact CE1-CG 4.15Å; Y117-M177 WeakPolarHBondContact CE1-O 3.38Å; Y117-M177 HydrophobicContact CE1-SD 4.28Å; Y117-M177 PolarHBondContact OH-O 2.7Å
118I98.7Very high98.1Very high0 Ų039.4 Ų39.40%018%0.184CC..Hα-helixtrans-65.7-43.4174.9-67.2173.3000111.1L87 K91 M114 Y120 M121 E122 M177L87-I118 HydrophobicContact CD2-CG1 4.49Å; L87-I118 WeakPolarHBondContact O-CD1 3.49Å; K91-I118 HydrophobicContact CB-CD1 3.54Å; K91-I118 HydrophobicContact CD-CB 4.42Å; K91-I118 HydrophobicContact CD-CD1 4.48Å; K91-I118 HydrophobicContact CD-CG2 3.94Å; K91-I118 HydrophobicContact CG-CD1 4.03Å; M114-I118 HydrophobicContact CG-CD1 3.82Å; M114-I118 HydrophobicContact CG-CG1 4.43Å; M114-I118 WeakPolarHBondContact O-CG1 3.48Å; M114-I118 PolarHBondContact O-N 3.07Å; M114-I118 HydrophobicContact SD-CD1 3.65Å; M114-I118 HydrophobicContact SD-CG1 3.86Å; I118-Y120 PolarHBondContact O-N 3.19Å; I118-M121 HydrophobicContact CB-CE 4.36Å; I118-M121 HydrophobicContact CG1-CE 3.86Å; I118-M121 PolarHBondContact O-N 3.25Å; I118-E122 HydrophobicContact CG2-CG 4.42Å; I118-E122 VanDerWaalsContact CG2-OE1 3.23Å; I118-E122 WeakPolarHBondContact CG2-OE1 3.36Å; I118-E122 VanDerWaalsContact O-CG 3.27Å; I118-E122 WeakPolarHBondContact O-CG 3.27Å; I118-E122 PolarHBondContact O-N 2.68Å; I118-M177 HydrophobicContact CD1-CE 4.45Å; I118-M177 HydrophobicContact CG1-CE 4.3Å
119E98.4Very high98.4Very high34 Ų3432 Ų3216%0.15916%0.156CC..Hα-helixtrans-59-34.4172.1-73.9168.9-155.400112.5M1 S5 K115 S123M1-E119 HydrophobicContact CG-CB 4.38Å; S5-E119 WeakPolarHBondContact CB-OE2 3.46Å; K115-E119 VanDerWaalsContact O-CG 3.26Å; K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 2.79Å; K115-E119 VanDerWaalsContact O-N 3.16Å; E119-S123 PolarHBondContact O-OG 3.1Å
120Y98.8Very high98.5Very high5 Ų529.9 Ų29.92%0.0214%0.141CC..Hα-helixtrans-67-49.3174.9165.9-106.3000111.9I9 Y116 Y117 I118 E122 S123 T124 D126 P129 L130I9-Y120 HydrophobicContact CD1-CD2 4.38Å; I9-Y120 HydrophobicContact CG1-CD2 4.49Å; I9-Y120 HydrophobicContact CG2-CD2 3.76Å; I9-Y120 HydrophobicContact CG2-CE2 4.23Å; Y116-Y120 WeakPolarHBondContact O-CB 3.31Å; Y116-Y120 PolarHBondContact O-N 2.72Å; Y117-Y120 HydrophobicContact CD2-CD1 4.24Å; Y117-Y120 HydrophobicContact CE2-CD1 4.16Å; Y117-Y120 HydrophobicContact CE2-CE1 4.49Å; Y117-Y120 VanDerWaalsContact O-CB 3.32Å; Y117-Y120 WeakPolarHBondContact O-CB 3.46Å; Y117-Y120 PolarHBondContact O-N 2.88Å; Y117-Y120 VanDerWaalsContact O-N 3.16Å; I118-Y120 PolarHBondContact O-N 3.19Å; Y120-E122 VanDerWaalsContact C-N 3.28Å; Y120-E122 PolarHBondContact O-N 2.83Å; Y120-S123 PolarHBondContact O-N 2.92Å; Y120-S123 VanDerWaalsContact O-N 3.09Å; Y120-S123 PolarHBondContact O-OG 3.31Å; Y120-T124 HydrophobicContact CE1-CG2 4.29Å; Y120-T124 HydrophobicContact CE2-CG2 4.27Å; Y120-T124 WeakPolarHBondContact CE2-OG1 3.42Å; Y120-T124 VanDerWaalsContact O-CB 3.28Å; Y120-T124 WeakPolarHBondContact O-CB 3.31Å; Y120-T124 WeakPolarHBondContact O-CG2 3.14Å; Y120-T124 PolarHBondContact O-N 3.44Å; Y120-T124 PolarHBondContact OH-OG1 3.01Å; Y120-D126 WeakPolarHBondContact CE2-OD2 3.23Å; Y120-D126 PolarHBondContact OH-OD2 3.3Å; Y120-P129 HydrophobicContact CE1-CB 4.15Å; Y120-P129 WeakPolarHBondContact OH-CA 3.26Å; Y120-P129 VanDerWaalsContact OH-CB 3.3Å; Y120-P129 WeakPolarHBondContact OH-CB 3.44Å; Y120-L130 HydrophobicContact CD1-CB 4.5Å; Y120-L130 HydrophobicContact CE1-CB 3.71Å; Y120-L130 HydrophobicContact CE1-CG 4.38Å; Y120-L130 PolarHBondContact OH-N 3.22Å
121M98.6Very high98.6Very high17 Ų1730.7 Ų30.78%0.08414%0.143CC..Hα-helixtrans-59.1-40.3178.1-68.5-168-60.900112.4L87 Y117 I118 S123 M177 P179L87-M121 HydrophobicContact CD2-CE 3.68Å; Y117-M121 HydrophobicContact CD1-CE 3.97Å; Y117-M121 HydrophobicContact CD1-CG 4.19Å; Y117-M121 HydrophobicContact CD1-SD 4.01Å; Y117-M121 HydrophobicContact CE1-CE 3.93Å; Y117-M121 HydrophobicContact CE1-CG 3.84Å; Y117-M121 HydrophobicContact CE1-SD 3.41Å; Y117-M121 WeakPolarHBondContact CE1-SD 3.36Å; Y117-M121 WeakPolarHBondContact O-CG 3.41Å; Y117-M121 PolarHBondContact O-N 2.99Å; I118-M121 HydrophobicContact CB-CE 4.36Å; I118-M121 HydrophobicContact CG1-CE 3.86Å; I118-M121 PolarHBondContact O-N 3.25Å; M121-S123 PolarHBondContact O-N 2.92Å; M121-M177 HydrophobicContact CE-CE 3.58Å; M121-M177 HydrophobicContact CE-CG 4.36Å; M121-M177 HydrophobicContact CE-SD 4.17Å; M121-M177 HydrophobicContact SD-CG 4.37Å; M121-P179 HydrophobicContact CB-CB 4.07Å; M121-P179 HydrophobicContact CG-CB 3.92Å; M121-P179 HydrophobicContact CG-CG 4.02Å; M121-P179 HydrophobicContact SD-CB 4.37Å
122E98Very high98.6Very high118 Ų11827 Ų2755%0.55113%0.127SC*.THydrogen-bonded Turntrans-66.2-15.2179-70.2163.7179.200113.3K91 I118 Y120K91-E122 IonicContact NZ-OE1 3.53Å; K91-E122 PolarHBondContact NZ-OE1 3.08Å; K91-E122 IonicContact NZ-OE2 2.67Å; K91-E122 PolarHBondContact NZ-OE2 2.93Å; I118-E122 HydrophobicContact CG2-CG 4.42Å; I118-E122 VanDerWaalsContact CG2-OE1 3.23Å; I118-E122 WeakPolarHBondContact CG2-OE1 3.36Å; I118-E122 VanDerWaalsContact O-CG 3.27Å; I118-E122 WeakPolarHBondContact O-CG 3.27Å; I118-E122 PolarHBondContact O-N 2.68Å; Y120-E122 VanDerWaalsContact C-N 3.28Å; Y120-E122 PolarHBondContact O-N 2.83Å
123S97.9Very high98.6Very high62 Ų6227.8 Ų27.843%0.43413%0.13SC..THydrogen-bonded Turntrans-130.3-9.9-170.360.90000115.6M1 E119 Y120 M121M1-S123 PolarHBondContact SD-OG 3.49Å; E119-S123 PolarHBondContact O-OG 3.1Å; Y120-S123 PolarHBondContact O-N 2.92Å; Y120-S123 VanDerWaalsContact O-N 3.09Å; Y120-S123 PolarHBondContact O-OG 3.31Å; M121-S123 PolarHBondContact O-N 2.92Å
124T98.4Very high98.6Very high16 Ų1624.6 Ų24.610%0.09812%0.116CC..  trans-75.8143.8-172.9-170.60000113Y120 D126 P129 P179Y120-T124 HydrophobicContact CE1-CG2 4.29Å; Y120-T124 HydrophobicContact CE2-CG2 4.27Å; Y120-T124 WeakPolarHBondContact CE2-OG1 3.42Å; Y120-T124 VanDerWaalsContact O-CB 3.28Å; Y120-T124 WeakPolarHBondContact O-CB 3.31Å; Y120-T124 WeakPolarHBondContact O-CG2 3.14Å; Y120-T124 PolarHBondContact O-N 3.44Å; Y120-T124 PolarHBondContact OH-OG1 3.01Å; T124-D126 PolarHBondContact OG1-N 3.45Å; T124-D126 PolarHBondContact OG1-OD2 3.36Å; T124-P129 HydrophobicContact CG2-CB 4.29Å; T124-P129 HydrophobicContact CG2-CG 4.34Å; T124-P179 HydrophobicContact CG2-CB 4.44Å; T124-P179 HydrophobicContact CG2-CG 4.29Å
125R98.7Very high98.5Very high137 Ų13725.6 Ų25.652%0.51712%0.123SC..  trans-121.916.3169.3-60.8-169.4176.8-171.3-3.1112.1Y32Y32-R125 HydrophobicContact CD1-CB 4.33Å; Y32-R125 HydrophobicContact CD1-CG 3.97Å; Y32-R125 HydrophobicContact CD2-CB 3.93Å; Y32-R125 HydrophobicContact CD2-CG 3.75Å; Y32-R125 HydrophobicContact CE1-CG 4.04Å; Y32-R125 HydrophobicContact CE2-CB 4.49Å; Y32-R125 HydrophobicContact CE2-CG 3.83Å; Y32-R125 HydrophobicContact CG-CB 3.84Å; Y32-R125 HydrophobicContact CG-CG 3.84Å
126D98.8Very high98.5Very high9 Ų925.3 Ų25.35%0.04813%0.125CC..  trans-60145.4-179.1-59.9-23.1000110.8K13 W26 Y120 T124 P129 R181K13-D126 WeakPolarHBondContact CE-OD2 3.36Å; K13-D126 IonicContact NZ-OD1 2.66Å; K13-D126 PolarHBondContact NZ-OD1 3.12Å; K13-D126 IonicContact NZ-OD2 3.66Å; K13-D126 PolarHBondContact NZ-OD2 2.83Å; W26-D126 HydrophobicContact CE3-CB 4.04Å; W26-D126 CarbonylContact O-C 3.52Å; W26-D126 VanDerWaalsContact O-CA 3.28Å; W26-D126 WeakPolarHBondContact O-CA 3.39Å; Y120-D126 WeakPolarHBondContact CE2-OD2 3.23Å; Y120-D126 PolarHBondContact OH-OD2 3.3Å; T124-D126 PolarHBondContact OG1-N 3.45Å; T124-D126 PolarHBondContact OG1-OD2 3.36Å; D126-P129 HydrophobicContact CB-CB 4.45Å; D126-P129 HydrophobicContact CB-CG 4.26Å; D126-R181 PolarHBondContact O-NE 3Å; D126-R181 PolarHBondContact O-NH2 3.44Å
127D98.6Very high98.5Very high1 Ų124.5 Ų24.51%0.00512%0.122CC..SBendtrans-60.9-54.5176.7-74.1-23.5000110.3W26 T27 R28 H29 N30 Y31 R181W26-D127 PolarHBondContact O-N 2.83Å; T27-D127 VanDerWaalsContact C-OD2 3.26Å; R28-D127 PolarHBondContact N-OD2 3.15Å; H29-D127 WeakPolarHBondContact CB-OD2 3.21Å; H29-D127 IonicContact CG-OD2 2.85Å; H29-D127 PolarHBondContact N-OD2 3.24Å; H29-D127 IonicContact ND1-OD2 3.9Å; H29-D127 PolarHBondContact ND1-OD2 2.95Å; N30-D127 PolarHBondContact N-OD1 3.18Å; N30-D127 VanDerWaalsContact N-OD1 3.13Å; Y31-D127 HydrophobicContact CD2-CB 3.77Å; Y31-D127 HydrophobicContact CE2-CB 4.45Å; Y31-D127 PolarHBondContact N-OD1 3.21Å; D127-R181 WeakPolarHBondContact O-CB 3.29Å
128S98.6Very high98.4Very high5 Ų524.6 Ų24.64%0.03512%0.123CC..SBendtrans-119.898.7167.8-170.70000109.7E231S128-E231 VanDerWaalsContact CB-OE2 3.26Å; S128-E231 WeakPolarHBondContact CB-OE2 3.07Å; S128-E231 PolarHBondContact OG-OE2 2.96Å
129P98.8Very high98.3Very high5 Ų528.9 Ų28.93%0.03214%0.143CC..  trans-66.3154.5-177.4-24.135.2000113.9Y120 T124 D126 Y131 P179 R181Y120-P129 HydrophobicContact CE1-CB 4.15Å; Y120-P129 WeakPolarHBondContact OH-CA 3.26Å; Y120-P129 VanDerWaalsContact OH-CB 3.3Å; Y120-P129 WeakPolarHBondContact OH-CB 3.44Å; T124-P129 HydrophobicContact CG2-CB 4.29Å; T124-P129 HydrophobicContact CG2-CG 4.34Å; D126-P129 HydrophobicContact CB-CB 4.45Å; D126-P129 HydrophobicContact CB-CG 4.26Å; P129-Y131 PolarHBondContact O-N 2.88Å; P129-P179 HydrophobicContact CB-CG 3.46Å; P129-P179 VanDerWaalsContact CB-CG 3.46Å; P129-P179 HydrophobicContact CG-CG 3.86Å; P129-R181 HydrophobicContact CG-CB 4.46Å
130L98.6Very high98.2Very high8 Ų831.2 Ų31.24%0.04215%0.154CC..  trans-52.5140.1167-66.9175.8000110.3A12 K13 A16 W26 M112 Y117 Y120A12-L130 HydrophobicContact CB-CD1 4.11Å; K13-L130 HydrophobicContact CG-CD1 3.91Å; K13-L130 HydrophobicContact CG-CG 4.33Å; A16-L130 HydrophobicContact CB-CD2 3.84Å; W26-L130 HydrophobicContact CH2-CD2 3.74Å; W26-L130 HydrophobicContact CH2-CG 4.11Å; W26-L130 HydrophobicContact CZ3-CD2 4.19Å; W26-L130 HydrophobicContact CZ3-CG 4.16Å; M112-L130 HydrophobicContact CE-CD1 4.39Å; Y117-L130 HydrophobicContact CE2-CB 4.45Å; Y117-L130 PolarHBondContact OH-O 3.43Å; Y117-L130 VanDerWaalsContact OH-O 3.06Å; Y120-L130 HydrophobicContact CD1-CB 4.5Å; Y120-L130 HydrophobicContact CE1-CB 3.71Å; Y120-L130 HydrophobicContact CE1-CG 4.38Å; Y120-L130 PolarHBondContact OH-N 3.22Å
131Y98.8Very high98.1Very high28 Ų2836.3 Ų36.311%0.1119%0.187CC..  trans-127.9121.4-171.1-167.9-162000111.6C101 Y117 P129 F133 V176 M177 G178 K204 N277C101-Y131 CarbonylContact C-O 3.53Å; C101-Y131 WeakPolarHBondContact CA-O 3.37Å; Y117-Y131 WeakPolarHBondContact OH-CA 3.35Å; P129-Y131 PolarHBondContact O-N 2.88Å; Y131-F133 HydrophobicContact CD1-CD2 4.42Å; Y131-F133 HydrophobicContact CE1-CD2 4.2Å; Y131-F133 PolarHBondContact O-N 3.12Å; Y131-V176 HydrophobicContact CE1-CG1 3.94Å; Y131-V176 HydrophobicContact CE2-CG1 3.57Å; Y131-V176 WeakPolarHBondContact OH-CG1 3.21Å; Y131-M177 VanDerWaalsContact CD2-O 3.28Å; Y131-M177 WeakPolarHBondContact CD2-O 3.36Å; Y131-M177 VanDerWaalsContact CE2-C 3.47Å; Y131-G178 VanDerWaalsContact CE2-CA 3.49Å; Y131-K204 PolarHBondContact OH-NZ 3.04Å; Y131-N277 WeakPolarHBondContact CE2-ND2 3.33Å; Y131-N277 PolarHBondContact OH-ND2 3.24Å; Y131-N277 PolarHBondContact OH-OD1 2.67Å
132I98.8Very high98Very high1 Ų142.2 Ų42.21%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-68.5122.4172.1-78175.6000108.7F99 K100 C101 M114 Y117 F175 V176 M177F99-I132 HydrophobicContact CB-CD1 3.84Å; F99-I132 HydrophobicContact CB-CG1 4.1Å; F99-I132 HydrophobicContact CB-CG2 4.07Å; F99-I132 HydrophobicContact CD1-CG2 4.5Å; F99-I132 HydrophobicContact CG-CD1 4.39Å; K100-I132 WeakPolarHBondContact O-CA 3.3Å; C101-I132 HydrophobicContact CB-CG1 4.23Å; M114-I132 HydrophobicContact CE-CD1 4.2Å; M114-I132 HydrophobicContact SD-CD1 4.47Å; Y117-I132 HydrophobicContact CD1-CD1 3.18Å; Y117-I132 HydrophobicContact CD1-CG1 3.75Å; Y117-I132 HydrophobicContact CD2-CD1 4.05Å; Y117-I132 HydrophobicContact CD2-CG1 3.89Å; Y117-I132 HydrophobicContact CE1-CB 4.09Å; Y117-I132 HydrophobicContact CE1-CD1 3.45Å; Y117-I132 VanDerWaalsContact CE1-CD1 3.45Å; Y117-I132 HydrophobicContact CE1-CG1 3.59Å; Y117-I132 HydrophobicContact CE2-CD1 4.31Å; Y117-I132 HydrophobicContact CE2-CG1 3.78Å; Y117-I132 HydrophobicContact CG-CD1 3.49Å; Y117-I132 VanDerWaalsContact CG-CD1 3.49Å; Y117-I132 HydrophobicContact CG-CG1 3.87Å; Y117-I132 PolarHBondContact OH-N 3.49Å; I132-F175 HydrophobicContact CG2-CD1 3.93Å; I132-F175 HydrophobicContact CG2-CE1 4.19Å; I132-V176 WeakPolarHBondContact O-CA 3.29Å; I132-M177 HydrophobicContact CB-CB 4.16Å; I132-M177 WeakPolarHBondContact CB-O 3.47Å; I132-M177 HydrophobicContact CD1-SD 4.48Å; I132-M177 HydrophobicContact CG2-CB 4.3Å; I132-M177 PolarHBondContact N-O 3.28Å; I132-M177 VanDerWaalsContact N-O 3.12Å; I132-M177 PolarHBondContact O-N 2.75Å
133F98.3Very high98.1Very high24 Ų2436.9 Ų36.911%0.10519%0.187CC..EExtended strand (participates in β ladder)trans-143.277.6176.5-150.3-81.4000108.4K100 Y131 W174 V176 T285 S347K100-F133 PolarHBondContact O-N 3.13Å; K100-F133 VanDerWaalsContact O-N 3.09Å; Y131-F133 HydrophobicContact CD1-CD2 4.42Å; Y131-F133 HydrophobicContact CE1-CD2 4.2Å; Y131-F133 PolarHBondContact O-N 3.12Å; F133-W174 HydrophobicContact CD1-CB 3.84Å; F133-W174 AromaticContact CD1-CD1 3.14Å; F133-W174 HydrophobicContact CD1-CD2 4.36Å; F133-W174 AromaticContact CD1-CG 3.54Å; F133-W174 HydrophobicContact CD1-CG 3.54Å; F133-W174 AromaticContact CD1-NE1 3.73Å; F133-W174 HydrophobicContact CE1-CB 3.64Å; F133-W174 AromaticContact CE1-CD1 3.21Å; F133-W174 AromaticContact CE1-CD2 3.64Å; F133-W174 HydrophobicContact CE1-CD2 3.64Å; F133-W174 AromaticContact CE1-CE2 3.88Å; F133-W174 HydrophobicContact CE1-CE3 4.48Å; F133-W174 AromaticContact CE1-CG 3.21Å; F133-W174 HydrophobicContact CE1-CG 3.21Å; F133-W174 AromaticContact CE1-NE1 3.55Å; F133-W174 HydrophobicContact CZ-CB 4.2Å; F133-W174 HydrophobicContact CZ-CD2 4.43Å; F133-W174 HydrophobicContact CZ-CG 4.12Å; F133-V176 HydrophobicContact CD2-CB 4.43Å; F133-V176 HydrophobicContact CD2-CG1 3.83Å; F133-V176 HydrophobicContact CD2-CG2 3.8Å; F133-V176 HydrophobicContact CE2-CG1 4.08Å; F133-V176 HydrophobicContact CE2-CG2 3.72Å; F133-V176 HydrophobicContact CG-CG2 4.35Å; F133-V176 HydrophobicContact CZ-CG2 4.21Å; F133-T285 HydrophobicContact CZ-CG2 4.32Å; F133-S347 WeakPolarHBondContact CD1-OG 3.46Å; F133-S347 VanDerWaalsContact CE1-OG 3.23Å; F133-S347 WeakPolarHBondContact CE1-OG 3.41Å; F133-S347 WeakPolarHBondContact CG-OG 3.39Å
134D98.7Very high98.1Very high0 Ų040.1 Ų40.10%019%0.19CC..EExtended strand (participates in β ladder)trans-102.9120.7-169.6-164.2-81.7000111.8F99 K100 S136 Y137 R143 W174 F175F99-D134 WeakPolarHBondContact CA-OD2 3.13Å; F99-D134 HydrophobicContact CB-CB 4.4Å; F99-D134 HydrophobicContact CD1-CB 3.93Å; K100-D134 HydrophobicContact CB-CB 4.3Å; K100-D134 PolarHBondContact N-OD2 2.87Å; D134-S136 PolarHBondContact OD1-N 3.23Å; D134-S136 PolarHBondContact OD1-OG 3.07Å; D134-Y137 WeakPolarHBondContact O-CD1 3.32Å; D134-Y137 PolarHBondContact OD1-N 2.79Å; D134-Y137 VanDerWaalsContact OD1-N 3.1Å; D134-R143 IonicContact OD1-CZ 2.6Å; D134-R143 IonicContact OD1-NH1 3.96Å; D134-R143 PolarHBondContact OD1-NH1 2.69Å; D134-R143 IonicContact OD2-CZ 2.72Å; D134-R143 IonicContact OD2-NH1 3.37Å; D134-R143 PolarHBondContact OD2-NH1 3.15Å; D134-W174 WeakPolarHBondContact O-CA 3.45Å; D134-F175 PolarHBondContact N-O 3.32Å; D134-F175 PolarHBondContact O-N 3.17Å
135S98Very high98.1Very high20 Ų2044.2 Ų44.214%0.1421%0.206CC..SBendtrans-92.2-20177.251.40000115.1R173S135-R173 WeakPolarHBondContact CA-O 3.39Å
136S98.1Very high98.1Very high25 Ų2537.7 Ų37.718%0.17518%0.182CC..  trans-93.66.8-167.765.30000114.1D134 G138 E139 H140 R143D134-S136 PolarHBondContact OD1-N 3.23Å; D134-S136 PolarHBondContact OD1-OG 3.07Å; S136-G138 VanDerWaalsContact C-N 3.3Å; S136-G138 PolarHBondContact O-N 3.33Å; S136-E139 VanDerWaalsContact C-OE2 3.22Å; S136-E139 VanDerWaalsContact CA-OE2 3.31Å; S136-E139 WeakPolarHBondContact CA-OE2 3.21Å; S136-E139 PolarHBondContact O-N 3.23Å; S136-H140 PolarHBondContact O-CD2 2.83Å; S136-R143 PolarHBondContact O-NH2 3Å; S136-R143 PolarHBondContact OG-NH1 2.85Å; S136-R143 PolarHBondContact OG-NH2 2.83Å
137Y98.2Very high98.1Very high0 Ų039.7 Ų39.70%019%0.192CC..G310 helixtrans-65.8-34.8-170.864.5-85000111.9D134 E139 H140 R143 R144 L146 L147 Y150 R173 F175 I284D134-Y137 WeakPolarHBondContact O-CD1 3.32Å; D134-Y137 PolarHBondContact OD1-N 2.79Å; D134-Y137 VanDerWaalsContact OD1-N 3.1Å; Y137-E139 VanDerWaalsContact C-N 3.26Å; Y137-E139 PolarHBondContact O-N 2.89Å; Y137-H140 PolarHBondContact O-N 3.44Å; Y137-R143 CarbonylContact O-C 3.6Å; Y137-R143 WeakPolarHBondContact O-CB 3.4Å; Y137-R144 VanDerWaalsContact O-CA 3.27Å; Y137-R144 WeakPolarHBondContact O-CA 3.27Å; Y137-R144 PolarHBondContact O-N 3.21Å; Y137-L146 HydrophobicContact CD2-CB 3.93Å; Y137-L146 HydrophobicContact CD2-CD1 4.18Å; Y137-L146 HydrophobicContact CE2-CB 4.29Å; Y137-L146 HydrophobicContact CG-CD1 4.35Å; Y137-L147 HydrophobicContact CD2-CD2 4.47Å; Y137-L147 HydrophobicContact CE2-CD2 3.58Å; Y137-L147 HydrophobicContact CE2-CG 4.09Å; Y137-Y150 HydrophobicContact CE2-CE1 4.41Å; Y137-Y150 PolarHBondContact OH-OH 3.22Å; Y137-R173 HydrophobicContact CE1-CG 4.12Å; Y137-R173 WeakPolarHBondContact OH-CD 3.2Å; Y137-F175 HydrophobicContact CD1-CB 3.96Å; Y137-F175 HydrophobicContact CE1-CB 4.12Å; Y137-F175 HydrophobicContact CG-CB 4.38Å; Y137-I284 HydrophobicContact CE1-CD1 4.19Å; Y137-I284 HydrophobicContact CE2-CD1 4.5Å; Y137-I284 WeakPolarHBondContact OH-CD1 3.43Å
138G97.3Very high98.1Very high2 Ų245.6 Ų45.62%0.02122%0.22CC..G310 helixtrans-67.3-23.4178.900000113.8S136 R144S136-G138 VanDerWaalsContact C-N 3.3Å; S136-G138 PolarHBondContact O-N 3.33Å; G138-R144 WeakPolarHBondContact O-CG 3.07Å; G138-R144 PolarHBondContact O-NE 2.89Å; G138-R144 PolarHBondContact O-NH2 3.28Å
139E97Very high98.1Very high90 Ų9045.5 Ų45.542%0.42122%0.219SC..G310 helixtrans-96.4-5-173.2-62.864.5-126.300112S136 Y137 R173S136-E139 VanDerWaalsContact C-OE2 3.22Å; S136-E139 VanDerWaalsContact CA-OE2 3.31Å; S136-E139 WeakPolarHBondContact CA-OE2 3.21Å; S136-E139 PolarHBondContact O-N 3.23Å; Y137-E139 VanDerWaalsContact C-N 3.26Å; Y137-E139 PolarHBondContact O-N 2.89Å; E139-R173 IonicContact OE1-CZ 3.3Å; E139-R173 IonicContact OE1-NE 3.72Å; E139-R173 IonicContact OE1-NH2 3.67Å; E139-R173 PolarHBondContact OE1-NH2 3.36Å
140H96.4Very high98.1Very high83 Ų8346.2 Ų46.238%0.38422%0.221SC..SBendtrans-110.4131.4-178.4-79.1-104.6000112.8S136 Y137 K142 R143 R144S136-H140 PolarHBondContact O-CD2 2.83Å; Y137-H140 PolarHBondContact O-N 3.44Å; H140-K142 PolarHBondContact O-N 3.18Å; H140-K142 VanDerWaalsContact O-N 3.07Å; H140-R143 HydrophobicContact CB-CB 4.33Å; H140-R143 PolarHBondContact CD2-NH2 2.91Å; H140-R143 PolarHBondContact NE2-NH2 2.85Å; H140-R143 PolarHBondContact O-N 2.85Å; H140-R143 VanDerWaalsContact O-N 3.09Å; H140-R144 WeakPolarHBondContact O-CB 3.37Å; H140-R144 PolarHBondContact O-N 3.03Å
141P96.1Very high98.1Very high111 Ų11153.6 Ų53.672%0.72125%0.253SS*.THydrogen-bonded Turntrans-52-43.5-167.1-29.533.4000115.8
142K97.2Very high98.1Very high141 Ų14154.1 Ų54.161%0.61326%0.259SS*.THydrogen-bonded Turntrans-84.3-32.1-177.3-69.1-175.3176.5-176.50113.3Y94 Q97 H140Y94-K142 WeakPolarHBondContact CE1-O 3.37Å; Q97-K142 HydrophobicContact CG-CB 4.17Å; Q97-K142 VanDerWaalsContact NE2-CD 3.26Å; H140-K142 PolarHBondContact O-N 3.18Å; H140-K142 VanDerWaalsContact O-N 3.07Å
143R98.1Very high98.1Very high6 Ų654.6 Ų54.62%0.02326%0.262CS..THydrogen-bonded Turntrans-82.1-25.7-178.4-66.6-173.5-67.6157.48.6112Q97 K98 F99 D134 S136 Y137 H140 K145 L146Q97-R143 HydrophobicContact CB-CG 3.96Å; Q97-R143 HydrophobicContact CG-CG 4.14Å; K98-R143 WeakPolarHBondContact O-CD 3.26Å; K98-R143 PolarHBondContact O-NH1 3.22Å; F99-R143 HydrophobicContact CE1-CG 4.33Å; F99-R143 HydrophobicContact CE2-CG 4.43Å; F99-R143 HydrophobicContact CZ-CG 3.95Å; D134-R143 IonicContact OD1-CZ 2.6Å; D134-R143 IonicContact OD1-NH1 3.96Å; D134-R143 PolarHBondContact OD1-NH1 2.69Å; D134-R143 IonicContact OD2-CZ 2.72Å; D134-R143 IonicContact OD2-NH1 3.37Å; D134-R143 PolarHBondContact OD2-NH1 3.15Å; S136-R143 PolarHBondContact O-NH2 3Å; S136-R143 PolarHBondContact OG-NH1 2.85Å; S136-R143 PolarHBondContact OG-NH2 2.83Å; Y137-R143 CarbonylContact O-C 3.6Å; Y137-R143 WeakPolarHBondContact O-CB 3.4Å; H140-R143 HydrophobicContact CB-CB 4.33Å; H140-R143 PolarHBondContact CD2-NH2 2.91Å; H140-R143 PolarHBondContact NE2-NH2 2.85Å; H140-R143 PolarHBondContact O-N 2.85Å; H140-R143 VanDerWaalsContact O-N 3.09Å; R143-K145 PolarHBondContact O-N 2.74Å; R143-L146 WeakPolarHBondContact O-CB 3.26Å; R143-L146 WeakPolarHBondContact O-CG 3.26Å; R143-L146 PolarHBondContact O-N 3.11Å
144R98.1Very high98.1Very high130 Ų13058.1 Ų58.149%0.49128%0.277SS..G310 helixtrans-53.6-28.7177.9-175.7-177.5-68.1167.5-1.5113.2Y137 G138 H140 L146 L147Y137-R144 VanDerWaalsContact O-CA 3.27Å; Y137-R144 WeakPolarHBondContact O-CA 3.27Å; Y137-R144 PolarHBondContact O-N 3.21Å; G138-R144 WeakPolarHBondContact O-CG 3.07Å; G138-R144 PolarHBondContact O-NE 2.89Å; G138-R144 PolarHBondContact O-NH2 3.28Å; H140-R144 WeakPolarHBondContact O-CB 3.37Å; H140-R144 PolarHBondContact O-N 3.03Å; R144-L146 PolarHBondContact O-N 3.48Å; R144-L147 HydrophobicContact CG-CD1 3.82Å; R144-L147 VanDerWaalsContact O-CB 3.26Å; R144-L147 WeakPolarHBondContact O-CB 3.36Å; R144-L147 WeakPolarHBondContact O-CG 3.01Å; R144-L147 PolarHBondContact O-N 2.71Å
145K98.5Very high98.1Very high102 Ų10258.8 Ų58.844%0.44328%0.28SS..G310 helixtrans-57.1-14.7175.4-63.8-163.4173.3-163.20114.7R143 E148R143-K145 PolarHBondContact O-N 2.74Å; K145-E148 WeakPolarHBondContact O-CB 3.29Å; K145-E148 PolarHBondContact O-N 3.23Å
146L98.6Very high98.1Very high1 Ų158 Ų581%0.00527%0.274CS..G310 helixtrans-66.9-26.3170.1-69.9169.3000112.3W85 L90 Y94 F99 Y137 R143 R144 E148 D149 Y150 F175W85-L146 HydrophobicContact CZ2-CD2 4.22Å; L90-L146 HydrophobicContact CD2-CD2 4.29Å; Y94-L146 HydrophobicContact CE1-CG 4.23Å; Y94-L146 HydrophobicContact CE2-CD2 3.7Å; Y94-L146 HydrophobicContact CE2-CG 4.25Å; Y94-L146 PolarHBondContact OH-N 2.96Å; F99-L146 HydrophobicContact CE1-CD1 3.86Å; F99-L146 HydrophobicContact CZ-CD1 4.18Å; Y137-L146 HydrophobicContact CD2-CB 3.93Å; Y137-L146 HydrophobicContact CD2-CD1 4.18Å; Y137-L146 HydrophobicContact CE2-CB 4.29Å; Y137-L146 HydrophobicContact CG-CD1 4.35Å; R143-L146 WeakPolarHBondContact O-CB 3.26Å; R143-L146 WeakPolarHBondContact O-CG 3.26Å; R143-L146 PolarHBondContact O-N 3.11Å; R144-L146 PolarHBondContact O-N 3.48Å; L146-E148 PolarHBondContact O-N 3Å; L146-D149 PolarHBondContact O-N 2.68Å; L146-D149 VanDerWaalsContact O-N 3.16Å; L146-Y150 WeakPolarHBondContact O-CD1 3.47Å; L146-F175 HydrophobicContact CD1-CB 4.44Å; L146-F175 HydrophobicContact CD1-CD2 4.05Å; L146-F175 HydrophobicContact CD1-CE2 4.49Å; L146-F175 HydrophobicContact CD1-CG 4.07Å; L146-F175 HydrophobicContact CD2-CD2 4.46Å; L146-F175 HydrophobicContact CD2-CE2 4.31Å
147L98.6Very high98.1Very high50 Ų5060.9 Ų60.926%0.26229%0.291SS..G310 helixtrans-67.6-19174.6-63.4176.3000112.9Y137 R144 Y150Y137-L147 HydrophobicContact CD2-CD2 4.47Å; Y137-L147 HydrophobicContact CE2-CD2 3.58Å; Y137-L147 HydrophobicContact CE2-CG 4.09Å; R144-L147 HydrophobicContact CG-CD1 3.82Å; R144-L147 VanDerWaalsContact O-CB 3.26Å; R144-L147 WeakPolarHBondContact O-CB 3.36Å; R144-L147 WeakPolarHBondContact O-CG 3.01Å; R144-L147 PolarHBondContact O-N 2.71Å; L147-Y150 HydrophobicContact CD2-CE1 4.01Å; L147-Y150 WeakPolarHBondContact CD2-OH 3.25Å
148E98.6Very high98Very high126 Ų12664.2 Ų64.259%0.58931%0.309SS*.G310 helixtrans-79.3-12.1175.8-60.2163.7-163.700111.8K145 L146K145-E148 WeakPolarHBondContact O-CB 3.29Å; K145-E148 PolarHBondContact O-N 3.23Å; L146-E148 PolarHBondContact O-N 3Å
149D98.7Very high98Very high2 Ų265 Ų651%0.01131%0.313CS..SBendtrans-95.8-9.9-171.5-59.5-29.6000112.6S80 A81 K84 W85 K93 L146S80-D149 PolarHBondContact N-O 3.28Å; S80-D149 WeakPolarHBondContact OG-CA 3.43Å; A81-D149 HydrophobicContact CB-CB 4.16Å; A81-D149 VanDerWaalsContact CB-O 3.26Å; A81-D149 WeakPolarHBondContact CB-O 3.43Å; A81-D149 PolarHBondContact N-O 2.92Å; K84-D149 WeakPolarHBondContact CD-OD1 3.39Å; K84-D149 IonicContact NZ-OD1 3.34Å; K84-D149 PolarHBondContact NZ-OD1 3.25Å; W85-D149 HydrophobicContact CZ2-CB 3.95Å; W85-D149 VanDerWaalsContact NE1-CB 3.32Å; W85-D149 PolarHBondContact NE1-OD2 2.82Å; K93-D149 IonicContact NZ-OD1 2.81Å; K93-D149 IonicContact NZ-OD2 2.91Å; L146-D149 PolarHBondContact O-N 2.68Å; L146-D149 VanDerWaalsContact O-N 3.16Å
150Y98.8Very high98.1Very high21 Ų2161 Ų618%0.08229%0.294CS..  trans-146.5165.7178.777.9-86.8000112.1W79 W85 Y137 L146 L147 W196 I284 Q286W79-Y150 VanDerWaalsContact CD2-CB 3.5Å; W79-Y150 VanDerWaalsContact CE3-CB 3.5Å; W79-Y150 HydrophobicContact CH2-CD2 4.22Å; W79-Y150 HydrophobicContact CH2-CG 4.45Å; W79-Y150 HydrophobicContact CZ2-CD2 4.27Å; W79-Y150 HydrophobicContact CZ3-CG 4.47Å; W85-Y150 AromaticContact CH2-CD1 3.97Å; W85-Y150 HydrophobicContact CH2-CD1 3.97Å; W85-Y150 HydrophobicContact CZ2-CD1 4.09Å; Y137-Y150 HydrophobicContact CE2-CE1 4.41Å; Y137-Y150 PolarHBondContact OH-OH 3.22Å; L146-Y150 WeakPolarHBondContact O-CD1 3.47Å; L147-Y150 HydrophobicContact CD2-CE1 4.01Å; L147-Y150 WeakPolarHBondContact CD2-OH 3.25Å; Y150-W196 HydrophobicContact CD2-CH2 4.44Å; Y150-W196 HydrophobicContact CE2-CH2 4.19Å; Y150-I284 HydrophobicContact CD1-CG1 4.5Å; Y150-I284 HydrophobicContact CD2-CG2 4.4Å; Y150-I284 HydrophobicContact CE1-CD1 4.03Å; Y150-I284 HydrophobicContact CE1-CG1 4.02Å; Y150-I284 HydrophobicContact CE2-CG1 4.18Å; Y150-I284 HydrophobicContact CG-CG2 4.43Å; Y150-Q286 PolarHBondContact OH-NE2 3.23Å
151K98.7Very high98.2Very high162 Ų16257.5 Ų57.570%0.70428%0.278SS*.  trans-132.5140.7171.3-179-175.3173-1750109.4W79W79-K151 VanDerWaalsContact CE2-O 3.31Å; W79-K151 WeakPolarHBondContact CZ2-O 3.47Å; W79-K151 PolarHBondContact NE1-O 2.99Å
152V98.8Very high98.2Very high39 Ų3955.9 Ų55.924%0.23626%0.26CS..  trans-57.9127.7174.4-177.40000109.7F156 T157 W196V152-F156 HydrophobicContact CG1-CB 3.99Å; V152-T157 HydrophobicContact CG1-CG2 4.37Å; V152-W196 HydrophobicContact CB-CZ2 4.38Å; V152-W196 HydrophobicContact CG1-CZ2 3.99Å; V152-W196 HydrophobicContact CG2-CZ2 4.12Å
153P98.7Very high98.3Very high11 Ų1151.2 Ų51.27%0.07124%0.239CC..  trans-58.5148.8175.9-24.333.3000112.3A75 F155 F156A75-P153 HydrophobicContact CB-CG 4.48Å; P153-F155 HydrophobicContact CB-CD2 4.31Å; P153-F155 PolarHBondContact O-N 3.11Å; P153-F156 HydrophobicContact CB-CD2 3.81Å; P153-F156 HydrophobicContact CB-CE2 4.02Å; P153-F156 HydrophobicContact CG-CD2 3.98Å; P153-F156 HydrophobicContact CG-CE2 4.17Å; P153-F156 PolarHBondContact O-N 2.92Å
154K98.6Very high98.2Very high98 Ų9851 Ų5143%0.42624%0.238SC..G310 helixtrans-55.7-22.9-17467-174.1-177.5-1720114.9A51 L54 V56 F156 T157A51-K154 PolarHBondContact O-NZ 3.32Å; A51-K154 VanDerWaalsContact O-NZ 3.15Å; L54-K154 WeakPolarHBondContact O-CE 3.44Å; L54-K154 PolarHBondContact O-NZ 3.24Å; V56-K154 HydrophobicContact CG2-CB 4.43Å; V56-K154 HydrophobicContact CG2-CD 4.39Å; V56-K154 HydrophobicContact CG2-CG 4.11Å; K154-F156 VanDerWaalsContact C-N 3.3Å; K154-F156 PolarHBondContact O-N 3.01Å; K154-T157 PolarHBondContact O-OG1 3.5Å
155F98.8Very high98.1Very high15 Ų1545.8 Ų45.87%0.06623%0.226CC..G310 helixtrans-75.8-16.7-179.3-47.2-66.9000113.7A51 L54 V56 F59 L72 P153A51-F155 HydrophobicContact CB-CE2 3.8Å; A51-F155 HydrophobicContact CB-CZ 4.07Å; L54-F155 HydrophobicContact CB-CE1 4.46Å; L54-F155 HydrophobicContact CB-CZ 4.23Å; L54-F155 HydrophobicContact CD2-CE1 4.23Å; L54-F155 HydrophobicContact CD2-CZ 4.15Å; L54-F155 HydrophobicContact CG-CE1 4.28Å; L54-F155 HydrophobicContact CG-CZ 4.4Å; V56-F155 HydrophobicContact CG2-CD1 4.31Å; F59-F155 HydrophobicContact CB-CD1 3.53Å; F59-F155 HydrophobicContact CB-CE1 3.8Å; F59-F155 HydrophobicContact CB-CG 4.34Å; F59-F155 HydrophobicContact CD1-CB 3.78Å; F59-F155 HydrophobicContact CD1-CD1 4.03Å; F59-F155 HydrophobicContact CD1-CG 4.13Å; F59-F155 HydrophobicContact CD2-CD1 4.23Å; F59-F155 HydrophobicContact CD2-CG 4.27Å; F59-F155 HydrophobicContact CE1-CB 3.92Å; F59-F155 HydrophobicContact CG-CB 4.13Å; F59-F155 AromaticContact CG-CD1 3.65Å; F59-F155 HydrophobicContact CG-CD1 3.65Å; F59-F155 HydrophobicContact CG-CE1 4.26Å; F59-F155 AromaticContact CG-CG 3.97Å; F59-F155 HydrophobicContact CG-CG 3.97Å; F59-F155 HydrophobicContact CZ-CB 4.4Å; L72-F155 HydrophobicContact CD1-CD2 3.76Å; L72-F155 HydrophobicContact CD1-CE2 3.96Å; P153-F155 HydrophobicContact CB-CD2 4.31Å; P153-F155 PolarHBondContact O-N 3.11Å
156F98.7Very high97.8Very high4 Ų446.2 Ų46.22%0.01823%0.229CC..G310 helixtrans-123.121.7-167.1-46.1-56.7000112.9F59 L72 V152 P153 K154 W196 F266 F288F59-F156 AromaticContact CE1-CE1 3.94Å; F59-F156 HydrophobicContact CE1-CE1 3.94Å; F59-F156 HydrophobicContact CE2-CE1 4.49Å; F59-F156 AromaticContact CZ-CE1 3.63Å; F59-F156 HydrophobicContact CZ-CE1 3.63Å; F59-F156 HydrophobicContact CZ-CZ 4.08Å; L72-F156 HydrophobicContact CD1-CE2 4.08Å; L72-F156 HydrophobicContact CD1-CZ 3.8Å; V152-F156 HydrophobicContact CG1-CB 3.99Å; P153-F156 HydrophobicContact CB-CD2 3.81Å; P153-F156 HydrophobicContact CB-CE2 4.02Å; P153-F156 HydrophobicContact CG-CD2 3.98Å; P153-F156 HydrophobicContact CG-CE2 4.17Å; P153-F156 PolarHBondContact O-N 2.92Å; K154-F156 VanDerWaalsContact C-N 3.3Å; K154-F156 PolarHBondContact O-N 3.01Å; F156-W196 HydrophobicContact CB-CG 4.48Å; F156-W196 AromaticContact CD1-CD1 3.97Å; F156-W196 HydrophobicContact CD2-CB 3.8Å; F156-W196 AromaticContact CD2-CD1 3.31Å; F156-W196 HydrophobicContact CD2-CD2 4.06Å; F156-W196 AromaticContact CD2-CG 3.45Å; F156-W196 HydrophobicContact CD2-CG 3.45Å; F156-W196 VanDerWaalsContact CD2-CG 3.45Å; F156-W196 AromaticContact CD2-NE1 3.81Å; F156-W196 HydrophobicContact CE1-CB 4.32Å; F156-W196 HydrophobicContact CE2-CB 3.5Å; F156-W196 AromaticContact CE2-CD1 3.97Å; F156-W196 HydrophobicContact CE2-CD2 4.45Å; F156-W196 AromaticContact CE2-CG 3.7Å; F156-W196 HydrophobicContact CE2-CG 3.7Å; F156-W196 HydrophobicContact CG-CB 4.34Å; F156-W196 AromaticContact CG-CD1 3.32Å; F156-W196 AromaticContact CG-CG 3.92Å; F156-W196 HydrophobicContact CG-CG 3.92Å; F156-W196 AromaticContact CG-NE1 3.83Å; F156-W196 HydrophobicContact CZ-CB 3.78Å; F156-W196 HydrophobicContact CZ-CG 4.34Å; F156-F266 AromaticContact CE1-CD2 3.84Å; F156-F266 HydrophobicContact CE1-CD2 3.84Å; F156-F266 HydrophobicContact CE1-CE2 4.39Å; F156-F266 HydrophobicContact CZ-CB 4.41Å; F156-F266 HydrophobicContact CZ-CD2 4.3Å; F156-F288 HydrophobicContact CB-CD1 4.44Å; F156-F288 HydrophobicContact CD1-CD1 4.27Å; F156-F288 AromaticContact CD1-CE1 3.53Å; F156-F288 HydrophobicContact CD1-CE1 3.53Å; F156-F288 AromaticContact CD1-CE2 3.95Å; F156-F288 HydrophobicContact CD1-CE2 3.95Å; F156-F288 AromaticContact CD1-CZ 3.34Å; F156-F288 HydrophobicContact CD1-CZ 3.34Å; F156-F288 HydrophobicContact CE1-CE1 4.01Å; F156-F288 AromaticContact CE1-CZ 3.81Å; F156-F288 HydrophobicContact CE1-CZ 3.81Å; F156-F288 HydrophobicContact CG-CE1 4.22Å; F156-F288 HydrophobicContact CG-CZ 4.34Å
157T98.3Very high97.6Very high85 Ų8556.2 Ų56.252%0.52127%0.273SS..  trans-86.4-12.1-17250.80000115.1V152 K154 D159V152-T157 HydrophobicContact CG1-CG2 4.37Å; K154-T157 PolarHBondContact O-OG1 3.5Å; T157-D159 VanDerWaalsContact C-N 3.33Å; T157-D159 PolarHBondContact O-N 3Å
158D95.6Very high97.3Very high70 Ų7061.3 Ų61.337%0.37429%0.288SS..  trans-55.3-48.9176.7-80.47.7000111.6L160 S291D158-L160 VanDerWaalsContact C-N 3.3Å; D158-L160 HydrophobicContact CB-CD2 4.29Å; D158-L160 HydrophobicContact CB-CG 4.34Å; D158-L160 PolarHBondContact O-N 3.17Å; D158-L160 VanDerWaalsContact O-N 3.12Å; D158-S291 PolarHBondContact OD2-N 3.02Å
159D97.4Very high97.3Very high19 Ų1956 Ų5610%0.10226%0.263CS..  trans37.154.1178.1-171.329.8000114.3T157 F161 Q162 R169 A289T157-D159 VanDerWaalsContact C-N 3.33Å; T157-D159 PolarHBondContact O-N 3Å; D159-F161 PolarHBondContact O-N 3.33Å; D159-Q162 WeakPolarHBondContact O-CB 3.34Å; D159-Q162 VanDerWaalsContact O-CG 3.26Å; D159-Q162 WeakPolarHBondContact O-CG 3.24Å; D159-Q162 PolarHBondContact O-N 2.76Å; D159-R169 IonicContact OD1-CZ 3.61Å; D159-R169 IonicContact OD1-NH1 3.69Å; D159-R169 IonicContact OD1-NH2 3.9Å; D159-R169 PolarHBondContact OD1-NH2 3.24Å; D159-R169 IonicContact OD2-CZ 3.59Å; D159-R169 VanDerWaalsContact OD2-CZ 3.3Å; D159-R169 IonicContact OD2-NH1 3.43Å; D159-R169 PolarHBondContact OD2-NH1 3.19Å; D159-R169 IonicContact OD2-NH2 3.95Å; D159-R169 PolarHBondContact OD2-NH2 3.16Å; D159-A289 PolarHBondContact N-O 3.3Å
160L98.2Very high97.1Very high6 Ų656.6 Ų56.63%0.03127%0.267CS..G310 helixtrans-59.1-20.2-165.4-60.9178.3000114.4D158 Q162 Y163 A289 S290 F294 W312 L323D158-L160 VanDerWaalsContact C-N 3.3Å; D158-L160 HydrophobicContact CB-CD2 4.29Å; D158-L160 HydrophobicContact CB-CG 4.34Å; D158-L160 PolarHBondContact O-N 3.17Å; D158-L160 VanDerWaalsContact O-N 3.12Å; L160-Q162 PolarHBondContact O-N 2.88Å; L160-Y163 HydrophobicContact CD2-CD2 4.41Å; L160-Y163 HydrophobicContact CD2-CE2 4.02Å; L160-Y163 VanDerWaalsContact O-CD2 3.31Å; L160-Y163 WeakPolarHBondContact O-CD2 3.38Å; L160-Y163 PolarHBondContact O-N 2.92Å; L160-A289 HydrophobicContact CB-CB 3.98Å; L160-A289 WeakPolarHBondContact CG-O 3.47Å; L160-A289 PolarHBondContact N-O 2.93Å; L160-S290 VanDerWaalsContact CD1-C 3.47Å; L160-F294 HydrophobicContact CD1-CB 4.06Å; L160-F294 HydrophobicContact CD1-CD2 3.73Å; L160-F294 HydrophobicContact CD1-CG 4.15Å; L160-W312 HydrophobicContact CB-CZ2 3.88Å; L160-W312 PolarHBondContact O-NE1 3.26Å; L160-L323 HydrophobicContact CD1-CD1 3.85Å; L160-L323 HydrophobicContact CD2-CD1 3.55Å; L160-L323 HydrophobicContact CG-CD1 4.34Å
161F98.3Very high97Very high9 Ų958.3 Ų58.34%0.03928%0.28CS..G310 helixtrans-64.8-15.3172.7-90.1-58.1000113.8D159 Y163 A164 L191 T193 A289 V297 T301 L308 W312D159-F161 PolarHBondContact O-N 3.33Å; F161-Y163 PolarHBondContact O-N 3.33Å; F161-A164 HydrophobicContact CD1-CB 4.49Å; F161-A164 VanDerWaalsContact O-CB 3.3Å; F161-A164 WeakPolarHBondContact O-CB 3.47Å; F161-A164 PolarHBondContact O-N 3.13Å; F161-L191 HydrophobicContact CZ-CD1 4.07Å; F161-T193 HydrophobicContact CD2-CG2 4.3Å; F161-T193 HydrophobicContact CE2-CG2 3.69Å; F161-A289 HydrophobicContact CD2-CB 3.94Å; F161-A289 HydrophobicContact CE2-CB 4.21Å; F161-V297 HydrophobicContact CE2-CG1 3.57Å; F161-V297 HydrophobicContact CZ-CG1 3.57Å; F161-T301 HydrophobicContact CE1-CG2 4.33Å; F161-L308 HydrophobicContact CE1-CD2 4.31Å; F161-W312 HydrophobicContact CD1-CD2 4.35Å; F161-W312 HydrophobicContact CD1-CE3 4.31Å; F161-W312 HydrophobicContact CD1-CH2 4.17Å; F161-W312 HydrophobicContact CD1-CZ2 4.2Å; F161-W312 HydrophobicContact CD1-CZ3 4.23Å; F161-W312 HydrophobicContact CE1-CD2 4.38Å; F161-W312 AromaticContact CE1-CE3 3.89Å; F161-W312 HydrophobicContact CE1-CE3 3.89Å; F161-W312 AromaticContact CE1-CH2 3.9Å; F161-W312 HydrophobicContact CE1-CH2 3.9Å; F161-W312 HydrophobicContact CE1-CZ2 4.38Å; F161-W312 AromaticContact CE1-CZ3 3.63Å; F161-W312 HydrophobicContact CE1-CZ3 3.63Å; F161-W312 HydrophobicContact CG-CZ2 4.49Å; F161-W312 HydrophobicContact CZ-CH2 4.09Å; F161-W312 AromaticContact CZ-CZ3 3.97Å; F161-W312 HydrophobicContact CZ-CZ3 3.97Å
162Q97.8Very high97Very high76 Ų7651.9 Ų51.936%0.35525%0.252SS..G310 helixtrans-55.9-34.2172.973.7-179.53.900112D159 L160 A164 G165D159-Q162 WeakPolarHBondContact O-CB 3.34Å; D159-Q162 VanDerWaalsContact O-CG 3.26Å; D159-Q162 WeakPolarHBondContact O-CG 3.24Å; D159-Q162 PolarHBondContact O-N 2.76Å; L160-Q162 PolarHBondContact O-N 2.88Å; Q162-A164 PolarHBondContact O-N 3.3Å; Q162-G165 WeakPolarHBondContact O-CA 3.41Å; Q162-G165 PolarHBondContact O-N 3.18Å
163Y97.9Very high97Very high44 Ų4451.6 Ų51.617%0.17325%0.247CC..G310 helixtrans-71.7-12.1178.1-56.9-61.8000113.8L160 F161 G165 I315 L316 E319 H320L160-Y163 HydrophobicContact CD2-CD2 4.41Å; L160-Y163 HydrophobicContact CD2-CE2 4.02Å; L160-Y163 VanDerWaalsContact O-CD2 3.31Å; L160-Y163 WeakPolarHBondContact O-CD2 3.38Å; L160-Y163 PolarHBondContact O-N 2.92Å; F161-Y163 PolarHBondContact O-N 3.33Å; Y163-G165 PolarHBondContact O-N 2.91Å; Y163-I315 HydrophobicContact CD1-CG2 4.39Å; Y163-I315 WeakPolarHBondContact O-CB 3.49Å; Y163-L316 HydrophobicContact CD2-CD1 3.62Å; Y163-L316 HydrophobicContact CE2-CD1 4.26Å; Y163-L316 HydrophobicContact CG-CD1 4.17Å; Y163-E319 HydrophobicContact CD1-CB 4.33Å; Y163-E319 HydrophobicContact CD1-CG 4.18Å; Y163-E319 HydrophobicContact CE1-CB 4.14Å; Y163-E319 HydrophobicContact CE1-CG 4.24Å; Y163-H320 AromaticContact CE2-CD2 3.57Å; Y163-H320 AromaticContact CE2-NE2 3.82Å; Y163-H320 AromaticContact CZ-CD2 3.38Å; Y163-H320 AromaticContact CZ-NE2 3.33Å; Y163-H320 VanDerWaalsContact CZ-NE2 3.33Å; Y163-H320 PolarHBondContact OH-CD2 3.21Å; Y163-H320 PolarHBondContact OH-NE2 3.33Å
164A96.6Very high97Very high0 Ų051.5 Ų51.50%025%0.245CC..G310 helixtrans-75.1-17167.500000112.3F161 Q162 R169 L308 K311 W312F161-A164 HydrophobicContact CD1-CB 4.49Å; F161-A164 VanDerWaalsContact O-CB 3.3Å; F161-A164 WeakPolarHBondContact O-CB 3.47Å; F161-A164 PolarHBondContact O-N 3.13Å; Q162-A164 PolarHBondContact O-N 3.3Å; A164-R169 HydrophobicContact CB-CB 4.44Å; A164-L308 HydrophobicContact CB-CD1 3.84Å; A164-K311 PolarHBondContact O-NZ 2.89Å; A164-W312 HydrophobicContact CB-CB 4.13Å; A164-W312 HydrophobicContact CB-CG 4.14Å
165G95.4Very high97Very high22 Ų2246.9 Ų46.923%0.22723%0.225CC..  trans91.5138.8179.500000113.2Q162 Y163 K167 R168 R169Q162-G165 WeakPolarHBondContact O-CA 3.41Å; Q162-G165 PolarHBondContact O-N 3.18Å; Y163-G165 PolarHBondContact O-N 2.91Å; G165-K167 VanDerWaalsContact C-N 3.29Å; G165-K167 PolarHBondContact O-N 3.3Å; G165-K167 VanDerWaalsContact O-N 3.07Å; G165-R168 PolarHBondContact O-N 2.83Å; G165-R169 PolarHBondContact O-N 3.36Å
166E93.9Very high97Very high111 Ų11146.2 Ų46.252%0.51922%0.222SC..THydrogen-bonded Turntrans-47.1-41.9-173.3-70.6-57.6135.700115.5R168 R169E166-R168 VanDerWaalsContact C-N 3.34Å; E166-R168 PolarHBondContact O-N 2.85Å; E166-R169 IonicContact OE1-NH1 2.74Å
167K92.9Very high97Very high211 Ų21146 Ų4692%0.91722%0.221SC*.THydrogen-bonded Turntrans-77.8-16.2-178.7-64.9-175.7-179.2178.90114.4G165G165-K167 VanDerWaalsContact C-N 3.29Å; G165-K167 PolarHBondContact O-N 3.3Å; G165-K167 VanDerWaalsContact O-N 3.07Å
168R93.6Very high97Very high156 Ų15642 Ų4259%0.58920%0.196SC*.THydrogen-bonded Turntrans-114.5-24.3-171.9-64.6-165.8-169.6-169.81113.4G165 E166 L308G165-R168 PolarHBondContact O-N 2.83Å; E166-R168 VanDerWaalsContact C-N 3.34Å; E166-R168 PolarHBondContact O-N 2.85Å; R168-L308 HydrophobicContact CB-CD1 4.32Å; R168-L308 WeakPolarHBondContact O-CD1 3.32Å
169R97.1Very high97.2Very high15 Ų1538.8 Ų38.86%0.05718%0.179CC..SBendtrans-5814817466.2-178.6-63.7167.53.9110.3D159 A164 G165 E166 Y172D159-R169 IonicContact OD1-CZ 3.61Å; D159-R169 IonicContact OD1-NH1 3.69Å; D159-R169 IonicContact OD1-NH2 3.9Å; D159-R169 PolarHBondContact OD1-NH2 3.24Å; D159-R169 IonicContact OD2-CZ 3.59Å; D159-R169 VanDerWaalsContact OD2-CZ 3.3Å; D159-R169 IonicContact OD2-NH1 3.43Å; D159-R169 PolarHBondContact OD2-NH1 3.19Å; D159-R169 IonicContact OD2-NH2 3.95Å; D159-R169 PolarHBondContact OD2-NH2 3.16Å; A164-R169 HydrophobicContact CB-CB 4.44Å; G165-R169 PolarHBondContact O-N 3.36Å; E166-R169 IonicContact OE1-NH1 2.74Å; R169-Y172 HydrophobicContact CG-CD1 4.44Å; R169-Y172 VanDerWaalsContact CZ-CD1 3.43Å; R169-Y172 VanDerWaalsContact CZ-CE1 3.48Å; R169-Y172 VanDerWaalsContact NE-CE1 3.34Å; R169-Y172 VanDerWaalsContact NH2-CG 3.26Å
170P95.8Very high97.3Very high15 Ų1539.6 Ų39.610%0.09719%0.186CC..PPolyproline II helixtrans-58.9156.1170-12.424.4000111Y172 L191 L308P170-Y172 PolarHBondContact O-N 3.32Å; P170-L191 HydrophobicContact CG-CD1 3.95Å; P170-L308 HydrophobicContact CG-CD2 4.28Å
171P96.8Very high97.3Very high56 Ų5640 Ų4036%0.36419%0.187SC..PPolyproline II helixtrans-52.8133.2164.2-2739.2000110.2W174 D345P171-W174 HydrophobicContact CB-CZ2 4.09Å; P171-W174 VanDerWaalsContact O-CH2 3.32Å; P171-W174 WeakPolarHBondContact O-CH2 3.27Å; P171-W174 WeakPolarHBondContact O-CZ2 3.36Å; P171-D345 WeakPolarHBondContact CG-OD1 3.29Å
172Y98.1Very high97.3Very high28 Ų2839.6 Ų39.611%0.1119%0.185CC..  trans-137.3-7.9-168.269.8-85.3000113.6R169 P170 W174 Q286 N287R169-Y172 HydrophobicContact CG-CD1 4.44Å; R169-Y172 VanDerWaalsContact CZ-CD1 3.43Å; R169-Y172 VanDerWaalsContact CZ-CE1 3.48Å; R169-Y172 VanDerWaalsContact NE-CE1 3.34Å; R169-Y172 VanDerWaalsContact NH2-CG 3.26Å; P170-Y172 PolarHBondContact O-N 3.32Å; Y172-W174 WeakPolarHBondContact O-CZ3 3.32Å; Y172-Q286 CarbonylContact O-C 3.58Å; Y172-Q286 WeakPolarHBondContact O-CA 3.07Å; Y172-Q286 VanDerWaalsContact O-CB 3.27Å; Y172-Q286 WeakPolarHBondContact O-CB 3.1Å; Y172-N287 PolarHBondContact O-N 2.92Å
173R98.5Very high97.4Very high32 Ų3236.6 Ų36.612%0.12117%0.174CC..EExtended strand (participates in β ladder)trans-139.7137.4-177.462.3-177.5178.7-166.5-6.9109.7S135 Y137 E139 T285 Q286S135-R173 WeakPolarHBondContact CA-O 3.39Å; Y137-R173 HydrophobicContact CE1-CG 4.12Å; Y137-R173 WeakPolarHBondContact OH-CD 3.2Å; E139-R173 IonicContact OE1-CZ 3.3Å; E139-R173 IonicContact OE1-NE 3.72Å; E139-R173 IonicContact OE1-NH2 3.67Å; E139-R173 PolarHBondContact OE1-NH2 3.36Å; R173-T285 CarbonylContact C-O 3.49Å; R173-T285 WeakPolarHBondContact CA-O 3.4Å; R173-Q286 HydrophobicContact CB-CB 4.29Å; R173-Q286 HydrophobicContact CB-CG 3.5Å
174W98.8Very high97.4Very high10 Ų1035.8 Ų35.84%0.03817%0.174CC..EExtended strand (participates in β ladder)trans-135.5130.4-177.4-61.4-96.7000111.4F133 D134 P171 Y172 V176 I284 T285 N287F133-W174 HydrophobicContact CD1-CB 3.84Å; F133-W174 AromaticContact CD1-CD1 3.14Å; F133-W174 HydrophobicContact CD1-CD2 4.36Å; F133-W174 AromaticContact CD1-CG 3.54Å; F133-W174 HydrophobicContact CD1-CG 3.54Å; F133-W174 AromaticContact CD1-NE1 3.73Å; F133-W174 HydrophobicContact CE1-CB 3.64Å; F133-W174 AromaticContact CE1-CD1 3.21Å; F133-W174 AromaticContact CE1-CD2 3.64Å; F133-W174 HydrophobicContact CE1-CD2 3.64Å; F133-W174 AromaticContact CE1-CE2 3.88Å; F133-W174 HydrophobicContact CE1-CE3 4.48Å; F133-W174 AromaticContact CE1-CG 3.21Å; F133-W174 HydrophobicContact CE1-CG 3.21Å; F133-W174 AromaticContact CE1-NE1 3.55Å; F133-W174 HydrophobicContact CZ-CB 4.2Å; F133-W174 HydrophobicContact CZ-CD2 4.43Å; F133-W174 HydrophobicContact CZ-CG 4.12Å; D134-W174 WeakPolarHBondContact O-CA 3.45Å; P171-W174 HydrophobicContact CB-CZ2 4.09Å; P171-W174 VanDerWaalsContact O-CH2 3.32Å; P171-W174 WeakPolarHBondContact O-CH2 3.27Å; P171-W174 WeakPolarHBondContact O-CZ2 3.36Å; Y172-W174 WeakPolarHBondContact O-CZ3 3.32Å; W174-V176 HydrophobicContact CB-CG2 3.89Å; W174-I284 WeakPolarHBondContact O-CD1 3.46Å; W174-T285 HydrophobicContact CB-CG2 4.07Å; W174-T285 HydrophobicContact CE3-CG2 4.15Å; W174-T285 PolarHBondContact N-O 2.8Å; W174-T285 PolarHBondContact O-N 3.21Å; W174-T285 VanDerWaalsContact O-N 3.14Å; W174-N287 HydrophobicContact CH2-CB 4.5Å; W174-N287 HydrophobicContact CZ3-CB 4.22Å; W174-N287 WeakPolarHBondContact CZ3-OD1 3.4Å
175F98.9Very high97.5Very high0 Ų036.4 Ų36.40%018%0.18CC..EExtended strand (participates in β ladder)trans-81.7122.3161.6175.2-94.7000108.3W85 L90 F99 M114 I132 D134 Y137 L146 M177 I282 I284W85-F175 HydrophobicContact CD2-CE2 4.26Å; W85-F175 HydrophobicContact CE3-CE2 4.22Å; W85-F175 HydrophobicContact CH2-CD2 4.3Å; W85-F175 HydrophobicContact CH2-CE2 4.47Å; W85-F175 HydrophobicContact CZ2-CD2 4.49Å; W85-F175 HydrophobicContact CZ3-CD2 4.44Å; W85-F175 HydrophobicContact CZ3-CE2 4.33Å; L90-F175 HydrophobicContact CD1-CZ 4.18Å; F99-F175 HydrophobicContact CD1-CD1 4.18Å; F99-F175 HydrophobicContact CE1-CD1 4.14Å; M114-F175 HydrophobicContact CE-CE1 4.3Å; I132-F175 HydrophobicContact CG2-CD1 3.93Å; I132-F175 HydrophobicContact CG2-CE1 4.19Å; D134-F175 PolarHBondContact N-O 3.32Å; D134-F175 PolarHBondContact O-N 3.17Å; Y137-F175 HydrophobicContact CD1-CB 3.96Å; Y137-F175 HydrophobicContact CE1-CB 4.12Å; Y137-F175 HydrophobicContact CG-CB 4.38Å; L146-F175 HydrophobicContact CD1-CB 4.44Å; L146-F175 HydrophobicContact CD1-CD2 4.05Å; L146-F175 HydrophobicContact CD1-CE2 4.49Å; L146-F175 HydrophobicContact CD1-CG 4.07Å; L146-F175 HydrophobicContact CD2-CD2 4.46Å; L146-F175 HydrophobicContact CD2-CE2 4.31Å; F175-M177 HydrophobicContact CE1-CB 3.81Å; F175-M177 HydrophobicContact CE1-SD 4.37Å; F175-M177 HydrophobicContact CZ-CB 4.17Å; F175-M177 HydrophobicContact CZ-SD 4.48Å; F175-I282 HydrophobicContact CE2-CG2 3.79Å; F175-I282 HydrophobicContact CZ-CG2 3.88Å; F175-I284 HydrophobicContact CB-CD1 4.32Å
176V98.8Very high97.6Very high2 Ų235.8 Ų35.81%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-123.1124.7-168.7-1730000109.7Y131 I132 F133 W174 A283 T285Y131-V176 HydrophobicContact CE1-CG1 3.94Å; Y131-V176 HydrophobicContact CE2-CG1 3.57Å; Y131-V176 WeakPolarHBondContact OH-CG1 3.21Å; I132-V176 WeakPolarHBondContact O-CA 3.29Å; F133-V176 HydrophobicContact CD2-CB 4.43Å; F133-V176 HydrophobicContact CD2-CG1 3.83Å; F133-V176 HydrophobicContact CD2-CG2 3.8Å; F133-V176 HydrophobicContact CE2-CG1 4.08Å; F133-V176 HydrophobicContact CE2-CG2 3.72Å; F133-V176 HydrophobicContact CG-CG2 4.35Å; F133-V176 HydrophobicContact CZ-CG2 4.21Å; W174-V176 HydrophobicContact CB-CG2 3.89Å; V176-A283 PolarHBondContact N-O 3.35Å; V176-A283 PolarHBondContact O-N 2.87Å; V176-T285 HydrophobicContact CG2-CG2 3.91Å
177M98.9Very high97.8Very high0 Ų031.7 Ų31.70%015%0.153CC..EExtended strand (participates in β ladder)trans-148.1124.2-176.4177.9-173.6-153.200111.1L87 L90 M114 Y117 I118 M121 Y131 I132 F175 T281 I282L87-M177 HydrophobicContact CD2-CE 3.17Å; L90-M177 HydrophobicContact CD1-CE 4.07Å; L90-M177 HydrophobicContact CD1-SD 4.49Å; M114-M177 HydrophobicContact CE-SD 4.05Å; M114-M177 HydrophobicContact SD-SD 3.94Å; Y117-M177 HydrophobicContact CD1-SD 4.37Å; Y117-M177 HydrophobicContact CE1-CG 4.15Å; Y117-M177 WeakPolarHBondContact CE1-O 3.38Å; Y117-M177 HydrophobicContact CE1-SD 4.28Å; Y117-M177 PolarHBondContact OH-O 2.7Å; I118-M177 HydrophobicContact CD1-CE 4.45Å; I118-M177 HydrophobicContact CG1-CE 4.3Å; M121-M177 HydrophobicContact CE-CE 3.58Å; M121-M177 HydrophobicContact CE-CG 4.36Å; M121-M177 HydrophobicContact CE-SD 4.17Å; M121-M177 HydrophobicContact SD-CG 4.37Å; Y131-M177 VanDerWaalsContact CD2-O 3.28Å; Y131-M177 WeakPolarHBondContact CD2-O 3.36Å; Y131-M177 VanDerWaalsContact CE2-C 3.47Å; I132-M177 HydrophobicContact CB-CB 4.16Å; I132-M177 WeakPolarHBondContact CB-O 3.47Å; I132-M177 HydrophobicContact CD1-SD 4.48Å; I132-M177 HydrophobicContact CG2-CB 4.3Å; I132-M177 PolarHBondContact N-O 3.28Å; I132-M177 VanDerWaalsContact N-O 3.12Å; I132-M177 PolarHBondContact O-N 2.75Å; F175-M177 HydrophobicContact CE1-CB 3.81Å; F175-M177 HydrophobicContact CE1-SD 4.37Å; F175-M177 HydrophobicContact CZ-CB 4.17Å; F175-M177 HydrophobicContact CZ-SD 4.48Å; M177-T281 WeakPolarHBondContact CA-O 3.43Å; M177-I282 HydrophobicContact CE-CD1 4Å; M177-I282 HydrophobicContact CE-CG1 4.11Å; M177-I282 HydrophobicContact CG-CG1 4.11Å
178G98.8Very high98Very high0 Ų021.7 Ų21.70%011%0.109CC..EExtended strand (participates in β ladder)trans-153150.4-172.300000114.9Y131 S182 T280 T281Y131-G178 VanDerWaalsContact CE2-CA 3.49Å; G178-S182 WeakPolarHBondContact CA-OG 3.42Å; G178-T280 WeakPolarHBondContact O-CA 3.44Å; G178-T281 PolarHBondContact N-O 2.96Å; G178-T281 VanDerWaalsContact N-O 3.09Å; G178-T281 PolarHBondContact O-N 2.93Å
179P98.9Very high98.2Very high2 Ų214.8 Ų14.81%0.0138%0.084CC..  trans-76171171.834.6-35.9000111.5M121 T124 P129 S182 D279M121-P179 HydrophobicContact CB-CB 4.07Å; M121-P179 HydrophobicContact CG-CB 3.92Å; M121-P179 HydrophobicContact CG-CG 4.02Å; M121-P179 HydrophobicContact SD-CB 4.37Å; T124-P179 HydrophobicContact CG2-CB 4.44Å; T124-P179 HydrophobicContact CG2-CG 4.29Å; P129-P179 HydrophobicContact CB-CG 3.46Å; P129-P179 VanDerWaalsContact CB-CG 3.46Å; P129-P179 HydrophobicContact CG-CG 3.86Å; P179-S182 WeakPolarHBondContact CD-OG 3.2Å; P179-S182 WeakPolarHBondContact O-CB 3.43Å; P179-S182 PolarHBondContact O-N 3.19Å; P179-S182 PolarHBondContact O-OG 3.47Å; P179-D279 CarbonylContact C-O 3.58Å
180P98.9Very high98.1Very high37 Ų3714.8 Ų14.824%0.249%0.086CC..THydrogen-bonded Turntrans-49.8146.2169.7-10.69.6000112L37 S182 N277L37-P180 HydrophobicContact CD1-CB 3.64Å; P180-S182 PolarHBondContact O-N 2.92Å; P180-N277 WeakPolarHBondContact CA-O 3.36Å
181R98.8Very high98.1Very high14 Ų1414.7 Ų14.75%0.0539%0.085CC..THydrogen-bonded Turntrans73.9-16.4-176.3-52.7-178.5-63.6-69.6-8.9116.7L37 D126 D127 P129 I233 L276 N277L37-R181 HydrophobicContact CD1-CG 3.77Å; L37-R181 HydrophobicContact CD2-CG 4.49Å; D126-R181 PolarHBondContact O-NE 3Å; D126-R181 PolarHBondContact O-NH2 3.44Å; D127-R181 WeakPolarHBondContact O-CB 3.29Å; P129-R181 HydrophobicContact CG-CB 4.46Å; R181-I233 HydrophobicContact CB-CD1 3.69Å; R181-I233 HydrophobicContact CG-CD1 3.61Å; R181-L276 WeakPolarHBondContact O-CD1 3.3Å; R181-N277 PolarHBondContact N-O 3.26Å
182S98.9Very high98.1Very high0 Ų012 Ų120%07%0.067CC..  trans-69.2157.6169.765.90000110.3G178 P179 P180 N277G178-S182 WeakPolarHBondContact CA-OG 3.42Å; P179-S182 WeakPolarHBondContact CD-OG 3.2Å; P179-S182 WeakPolarHBondContact O-CB 3.43Å; P179-S182 PolarHBondContact O-N 3.19Å; P179-S182 PolarHBondContact O-OG 3.47Å; P180-S182 PolarHBondContact O-N 2.92Å; S182-N277 VanDerWaalsContact O-CB 3.26Å; S182-N277 WeakPolarHBondContact O-CB 3.36Å; S182-N277 VanDerWaalsContact O-CG 3.31Å; S182-N277 PolarHBondContact O-N 2.91Å; S182-N277 PolarHBondContact O-ND2 3.31Å; S182-N277 VanDerWaalsContact O-ND2 3.07Å; S182-N277 PolarHBondContact OG-ND2 3.48Å
183G98.4Very high98.1Very high13 Ų1311 Ų1113%0.1346%0.064CC..EExtended strand (participates in β ladder)trans175.1-171.8-177.600000112.5V275G183-V275 CarbonylContact C-O 3.53Å; G183-V275 WeakPolarHBondContact CA-O 3.37Å
184T98.4Very high98.1Very high27 Ų279.6 Ų9.617%0.1666%0.059CC..EExtended strand (participates in β ladder)trans-121126.9173.6-51.10000108.3H187 V274 V275T184-H187 VanDerWaalsContact CG2-CE1 3.44Å; T184-H187 WeakPolarHBondContact CG2-CE1 3.34Å; T184-V274 WeakPolarHBondContact O-CG2 3.35Å; T184-V275 PolarHBondContact N-O 3.34Å; T184-V275 PolarHBondContact O-N 2.85Å
185G98.2Very high98.1Very high13 Ų139.3 Ų9.313%0.1346%0.059CC..EExtended strand (participates in β ladder)trans-57.9169.7174.900000112.9H187 D230G185-H187 PolarHBondContact O-N 3.11Å; G185-H187 PolarHBondContact O-ND1 3.38Å; G185-D230 VanDerWaalsContact CA-O 3.27Å; G185-D230 WeakPolarHBondContact CA-O 3.48Å
186I98.4Very high98.1Very high10 Ų109.4 Ų9.45%0.0516%0.059CC..EExtended strand (participates in β ladder)trans-65126.2-178.3-159.9166000111.1F209 I218 K219 W235 W272 H273 V274I186-F209 HydrophobicContact CD1-CD2 3.91Å; I186-F209 HydrophobicContact CD1-CE2 3.99Å; I186-I218 HydrophobicContact CD1-CB 4.05Å; I186-I218 HydrophobicContact CD1-CD1 3.92Å; I186-I218 HydrophobicContact CD1-CG1 4.26Å; I186-K219 HydrophobicContact CG2-CD 3.7Å; I186-W235 HydrophobicContact CD1-CZ2 3.94Å; I186-W272 HydrophobicContact CD1-CB 4.17Å; I186-W272 HydrophobicContact CG1-CB 4.11Å; I186-W272 HydrophobicContact CG1-CE3 4.13Å; I186-H273 WeakPolarHBondContact CA-O 3.36Å; I186-V274 HydrophobicContact CB-CB 3.92Å; I186-V274 HydrophobicContact CG1-CB 4.21Å
187H98.2Very high98.1Very high25 Ų259.9 Ų9.912%0.1166%0.062CC..EExtended strand (participates in β ladder)trans-154.1170.1-17668.9-71.5000111.4T184 G185 W272 H273 D341T184-H187 VanDerWaalsContact CG2-CE1 3.44Å; T184-H187 WeakPolarHBondContact CG2-CE1 3.34Å; G185-H187 PolarHBondContact O-N 3.11Å; G185-H187 PolarHBondContact O-ND1 3.38Å; H187-W272 CarbonylContact O-C 3.49Å; H187-W272 WeakPolarHBondContact O-CA 3.29Å; H187-H273 AromaticContact CD2-CE1 3.98Å; H187-H273 AromaticContact CD2-NE2 3.92Å; H187-H273 AromaticContact CE1-CD2 3.49Å; H187-H273 PolarHBondContact CE1-CD2 2.81Å; H187-H273 VanDerWaalsContact CE1-CD2 3.49Å; H187-H273 AromaticContact CE1-CE1 3.87Å; H187-H273 AromaticContact CE1-NE2 3.15Å; H187-H273 PolarHBondContact CE1-NE2 2.69Å; H187-H273 PolarHBondContact N-O 3.3Å; H187-H273 VanDerWaalsContact N-O 3.11Å; H187-H273 AromaticContact ND1-NE2 3.98Å; H187-H273 PolarHBondContact ND1-O 2.54Å; H187-H273 AromaticContact NE2-CD2 3.96Å; H187-H273 AromaticContact NE2-CE1 3.64Å; H187-H273 AromaticContact NE2-NE2 3.14Å; H187-H273 PolarHBondContact NE2-NE2 2.51Å; H187-H273 VanDerWaalsContact NE2-NE2 3.14Å; H187-H273 PolarHBondContact O-N 3.07Å; H187-H273 PolarHBondContact O-ND1 2.91Å; H187-D341 WeakPolarHBondContact CB-OD2 3.49Å
188I97.8Very high98.1Very high1 Ų19.9 Ų9.91%0.0056%0.062CC..  trans-118.3135.5167.2-58.8174.9000108.4G270 W272 A339 D341I188-G270 WeakPolarHBondContact CD1-O 3.13Å; I188-W272 HydrophobicContact CD1-CD2 3.76Å; I188-W272 HydrophobicContact CD1-CE3 4.25Å; I188-W272 HydrophobicContact CD1-CG 4.13Å; I188-W272 HydrophobicContact CD1-CH2 4.3Å; I188-W272 HydrophobicContact CD1-CZ2 3.84Å; I188-W272 HydrophobicContact CD1-CZ3 4.49Å; I188-W272 HydrophobicContact CG1-CB 4.49Å; I188-W272 HydrophobicContact CG1-CD2 3.57Å; I188-W272 HydrophobicContact CG1-CE3 3.7Å; I188-W272 HydrophobicContact CG1-CG 3.92Å; I188-W272 HydrophobicContact CG1-CH2 4.42Å; I188-W272 HydrophobicContact CG1-CZ2 4.34Å; I188-W272 HydrophobicContact CG1-CZ3 4.13Å; I188-A339 HydrophobicContact CD1-CB 3.39Å; I188-A339 WeakPolarHBondContact CG2-O 3.32Å; I188-D341 PolarHBondContact N-OD2 2.89Å; I188-D341 WeakPolarHBondContact O-CB 3.48Å; I188-D341 VanDerWaalsContact O-CG 3.28Å; I188-D341 PolarHBondContact O-N 2.85Å; I188-D341 VanDerWaalsContact O-OD2 3.06Å
189D97.3Very high98.1Very high11 Ų119.9 Ų9.96%0.0596%0.062CC..  trans-52.8141.2178-82.9-49.1000113.3A195 H273 N287 S340D189-A195 VanDerWaalsContact OD2-CB 3.27Å; D189-A195 WeakPolarHBondContact OD2-CB 3.46Å; D189-H273 IonicContact OD2-CE1 3.69Å; D189-H273 PolarHBondContact OD2-CE1 2.85Å; D189-H273 IonicContact OD2-NE2 3.88Å; D189-N287 PolarHBondContact OD1-ND2 2.81Å; D189-S340 PolarHBondContact O-OG 3.13Å
190P94.9Very high98.1Very high15 Ų1510.1 Ų10.110%0.0976%0.063CC..G310 helixtrans-72.8158-171.628.8-36.1000113G192 T193 S340 D341P190-G192 PolarHBondContact O-N 3.44Å; P190-G192 VanDerWaalsContact O-N 3.07Å; P190-T193 PolarHBondContact O-N 3.06Å; P190-T193 VanDerWaalsContact O-N 3.12Å; P190-T193 PolarHBondContact O-OG1 3.49Å; P190-S340 WeakPolarHBondContact CA-OG 3.46Å; P190-D341 VanDerWaalsContact CA-O 3.27Å; P190-D341 WeakPolarHBondContact CA-O 3.01Å; P190-D341 WeakPolarHBondContact CB-O 3.46Å
191L95.6Very high98.1Very high13 Ų1311.1 Ų11.17%0.0687%0.065CC..G310 helixtrans53.224.5179-56.1177.3000114.6F161 P170 T193 V297 S340F161-L191 HydrophobicContact CZ-CD1 4.07Å; P170-L191 HydrophobicContact CG-CD1 3.95Å; L191-T193 PolarHBondContact O-N 2.91Å; L191-V297 VanDerWaalsContact O-CA 3.31Å; L191-V297 WeakPolarHBondContact O-CA 3.37Å; L191-S340 PolarHBondContact N-OG 3.31Å
192G96.3Very high98.1Very high0 Ų011 Ų110%07%0.067CC..G310 helixtrans68.217.5-179.400000114.3P190 V297 S340P190-G192 PolarHBondContact O-N 3.44Å; P190-G192 VanDerWaalsContact O-N 3.07Å; G192-V297 WeakPolarHBondContact O-CG2 3.3Å; G192-S340 PolarHBondContact N-OG 3.09Å
193T98.5Very high98.1Very high7 Ų713.3 Ų13.34%0.0438%0.078CC..  trans-67.4151.8176.752.80000111.2F161 P190 L191 G269 N287 V297F161-T193 HydrophobicContact CD2-CG2 4.3Å; F161-T193 HydrophobicContact CE2-CG2 3.69Å; P190-T193 PolarHBondContact O-N 3.06Å; P190-T193 VanDerWaalsContact O-N 3.12Å; P190-T193 PolarHBondContact O-OG1 3.49Å; L191-T193 PolarHBondContact O-N 2.91Å; T193-G269 VanDerWaalsContact O-CA 3.24Å; T193-G269 WeakPolarHBondContact O-CA 3.46Å; T193-N287 PolarHBondContact OG1-ND2 3.24Å; T193-N287 VanDerWaalsContact OG1-ND2 3.13Å; T193-V297 HydrophobicContact CG2-CG2 4.28Å
194S98.8Very high98.2Very high2 Ų212.8 Ų12.81%0.0147%0.072CC..EExtended strand (participates in β ladder)trans-91.7164163.3-570000108.9V267 G269 N287 F288 N293S194-V267 CarbonylContact C-O 3.57Å; S194-V267 WeakPolarHBondContact CA-O 3.22Å; S194-V267 WeakPolarHBondContact CB-O 3.44Å; S194-G269 PolarHBondContact OG-N 3.22Å; S194-G269 VanDerWaalsContact OG-N 3.08Å; S194-N287 CarbonylContact O-C 3.15Å; S194-N287 VanDerWaalsContact O-CA 3.26Å; S194-N287 WeakPolarHBondContact O-CA 3.49Å; S194-F288 PolarHBondContact N-O 3.15Å; S194-F288 WeakPolarHBondContact O-CD1 3.48Å; S194-F288 PolarHBondContact O-N 3.21Å; S194-N293 PolarHBondContact N-ND2 2.86Å; S194-N293 PolarHBondContact OG-ND2 2.91Å
195A98.8Very high98.2Very high4 Ų412.7 Ų12.73%0.0337%0.069CC..EExtended strand (participates in β ladder)trans-135.3159.4177.300000112.8D189 V267 Q286D189-A195 VanDerWaalsContact OD2-CB 3.27Å; D189-A195 WeakPolarHBondContact OD2-CB 3.46Å; A195-V267 HydrophobicContact CB-CB 4.39Å; A195-V267 PolarHBondContact N-O 3.4Å; A195-V267 PolarHBondContact O-N 2.72Å; A195-Q286 VanDerWaalsContact CA-O 3.23Å; A195-Q286 WeakPolarHBondContact CA-O 3.38Å
196W98.9Very high98.2Very high1 Ų112.3 Ų12.30%0.0046%0.063CC..EExtended strand (participates in β ladder)trans-127.4138.1164.558.3-93.6000109.8W79 Y150 V152 F156 A198 T264 V265 I284 T285 Q286 F288W79-W196 HydrophobicContact CH2-CZ3 4.13Å; Y150-W196 HydrophobicContact CD2-CH2 4.44Å; Y150-W196 HydrophobicContact CE2-CH2 4.19Å; V152-W196 HydrophobicContact CB-CZ2 4.38Å; V152-W196 HydrophobicContact CG1-CZ2 3.99Å; V152-W196 HydrophobicContact CG2-CZ2 4.12Å; F156-W196 HydrophobicContact CB-CG 4.48Å; F156-W196 AromaticContact CD1-CD1 3.97Å; F156-W196 HydrophobicContact CD2-CB 3.8Å; F156-W196 AromaticContact CD2-CD1 3.31Å; F156-W196 HydrophobicContact CD2-CD2 4.06Å; F156-W196 AromaticContact CD2-CG 3.45Å; F156-W196 HydrophobicContact CD2-CG 3.45Å; F156-W196 VanDerWaalsContact CD2-CG 3.45Å; F156-W196 AromaticContact CD2-NE1 3.81Å; F156-W196 HydrophobicContact CE1-CB 4.32Å; F156-W196 HydrophobicContact CE2-CB 3.5Å; F156-W196 AromaticContact CE2-CD1 3.97Å; F156-W196 HydrophobicContact CE2-CD2 4.45Å; F156-W196 AromaticContact CE2-CG 3.7Å; F156-W196 HydrophobicContact CE2-CG 3.7Å; F156-W196 HydrophobicContact CG-CB 4.34Å; F156-W196 AromaticContact CG-CD1 3.32Å; F156-W196 AromaticContact CG-CG 3.92Å; F156-W196 HydrophobicContact CG-CG 3.92Å; F156-W196 AromaticContact CG-NE1 3.83Å; F156-W196 HydrophobicContact CZ-CB 3.78Å; F156-W196 HydrophobicContact CZ-CG 4.34Å; W196-A198 HydrophobicContact CE3-CB 4.13Å; W196-A198 HydrophobicContact CZ3-CB 3.89Å; W196-T264 HydrophobicContact CB-CG2 4.26Å; W196-T264 HydrophobicContact CE3-CG2 4.28Å; W196-V265 CarbonylContact C-O 3.07Å; W196-V265 VanDerWaalsContact CA-O 3.26Å; W196-V265 WeakPolarHBondContact CA-O 3.47Å; W196-I284 HydrophobicContact CH2-CG2 4.33Å; W196-I284 HydrophobicContact CZ3-CG2 3.96Å; W196-T285 WeakPolarHBondContact O-CA 3.36Å; W196-T285 PolarHBondContact O-OG1 2.74Å; W196-Q286 HydrophobicContact CD2-CB 4.48Å; W196-Q286 HydrophobicContact CH2-CG 3.8Å; W196-Q286 HydrophobicContact CZ2-CB 3.73Å; W196-Q286 HydrophobicContact CZ2-CG 3.32Å; W196-Q286 PolarHBondContact N-O 2.89Å; W196-Q286 PolarHBondContact O-N 3.43Å; W196-F288 AromaticContact CD1-CD1 3.78Å; W196-F288 AromaticContact CD1-CE1 3.98Å
197N98.9Very high98.2Very high13 Ų1311.8 Ų11.87%0.076%0.061CC..EExtended strand (participates in β ladder)trans-123.9106.3-178.9-168.1-58.3000110.3W206 Q259 T264 V265 T285N197-W206 HydrophobicContact CB-CH2 3.85Å; N197-W206 HydrophobicContact CB-CZ2 4Å; N197-Q259 PolarHBondContact O-NE2 3.38Å; N197-T264 CarbonylContact O-C 3.58Å; N197-T264 WeakPolarHBondContact O-CA 3.45Å; N197-V265 PolarHBondContact N-O 3.32Å; N197-V265 PolarHBondContact O-N 2.87Å; N197-T285 PolarHBondContact ND2-OG1 2.86Å
198A98.9Very high98.3Very high0 Ų010.6 Ų10.60%06%0.055CC..EExtended strand (participates in β ladder)trans-95.2111.5179.500000110.6Q76 W79 W196 T264 A283 I284Q76-A198 HydrophobicContact CG-CB 4.37Å; W79-A198 HydrophobicContact CH2-CB 3.5Å; W79-A198 VanDerWaalsContact CH2-CB 3.5Å; W79-A198 HydrophobicContact CZ3-CB 3.68Å; W196-A198 HydrophobicContact CE3-CB 4.13Å; W196-A198 HydrophobicContact CZ3-CB 3.89Å; A198-T264 HydrophobicContact CB-CG2 4.12Å; A198-A283 VanDerWaalsContact O-CA 3.26Å; A198-A283 WeakPolarHBondContact O-CA 2.99Å; A198-A283 WeakPolarHBondContact O-CB 3.27Å; A198-I284 HydrophobicContact CB-CG2 3.97Å; A198-I284 PolarHBondContact N-O 3.05Å; A198-I284 PolarHBondContact O-N 3.14Å
199L98.9Very high98.3Very high0 Ų010.6 Ų10.60%06%0.055CC..EExtended strand (participates in β ladder)trans-88.6120.3178-176.659.9000110Q76 Q201 G202 K204 Q259 G262 E263 T281 A283Q76-L199 PolarHBondContact NE2-O 3.19Å; Q76-L199 PolarHBondContact OE1-O 2.84Å; L199-Q201 WeakPolarHBondContact CD1-O 3.33Å; L199-G202 WeakPolarHBondContact CD2-O 3.34Å; L199-K204 HydrophobicContact CD1-CD 3.93Å; L199-K204 HydrophobicContact CD1-CG 4.09Å; L199-K204 HydrophobicContact CD2-CB 4.29Å; L199-K204 HydrophobicContact CD2-CD 4.32Å; L199-K204 HydrophobicContact CD2-CG 4.05Å; L199-Q259 HydrophobicContact CB-CG 3.99Å; L199-Q259 VanDerWaalsContact CB-NE2 3.32Å; L199-Q259 HydrophobicContact CD2-CB 4.11Å; L199-Q259 HydrophobicContact CD2-CG 3.76Å; L199-Q259 WeakPolarHBondContact CD2-O 3.34Å; L199-G262 PolarHBondContact O-N 3.09Å; L199-E263 PolarHBondContact N-O 3.38Å; L199-E263 VanDerWaalsContact N-O 3.09Å; L199-T281 HydrophobicContact CD1-CG2 4.39Å; L199-A283 HydrophobicContact CD1-CB 4.05Å
200V98.9Very high98.3Very high6 Ų611.7 Ų11.74%0.0366%0.063CC..EExtended strand (participates in β ladder)trans-97.7-39.3-179-177.60000111.1W79 A81 W85 I282W79-V200 HydrophobicContact CE3-CG2 4.34Å; W79-V200 HydrophobicContact CZ3-CG2 4.33Å; A81-V200 HydrophobicContact CB-CG1 4.08Å; A81-V200 HydrophobicContact CB-CG2 4.24Å; W85-V200 HydrophobicContact CB-CG1 4.45Å; W85-V200 HydrophobicContact CE3-CB 4.09Å; W85-V200 HydrophobicContact CE3-CG1 4.31Å; W85-V200 HydrophobicContact CE3-CG2 3.71Å; W85-V200 HydrophobicContact CZ3-CG2 3.78Å; V200-I282 PolarHBondContact N-O 2.86Å
201Q98.9Very high98.4Very high59 Ų5912.7 Ų12.728%0.2767%0.069SC..EExtended strand (participates in β ladder)trans-136.2144.9179.7-59.4-64.4-23.900110.5Q82 W85 L199 T281 I282Q82-Q201 PolarHBondContact O-NE2 3.11Å; W85-Q201 WeakPolarHBondContact O-CG 3.4Å; L199-Q201 WeakPolarHBondContact CD1-O 3.33Å; Q201-T281 VanDerWaalsContact O-CA 3.25Å; Q201-T281 WeakPolarHBondContact O-CA 3.41Å; Q201-I282 HydrophobicContact CB-CB 4.12Å; Q201-I282 HydrophobicContact CB-CD1 4.33Å; Q201-I282 HydrophobicContact CB-CG1 4.3Å; Q201-I282 HydrophobicContact CG-CB 4.39Å; Q201-I282 HydrophobicContact CG-CD1 4.18Å; Q201-I282 PolarHBondContact N-O 3.04Å; Q201-I282 VanDerWaalsContact N-O 3.11Å; Q201-I282 PolarHBondContact O-N 3.12Å
202G98.8Very high98.5Very high10 Ų1016.2 Ų16.210%0.1039%0.094CC..SBendtrans83.1-164176.100000114.4L199 P261 D279L199-G202 WeakPolarHBondContact CD2-O 3.34Å; G202-P261 WeakPolarHBondContact O-CD 3.25Å; G202-P261 VanDerWaalsContact O-CG 3.3Å; G202-P261 WeakPolarHBondContact O-CG 3.19Å; G202-D279 WeakPolarHBondContact CA-OD1 3.2Å
203H98.9Very high98.5Very high49 Ų4916.5 Ų16.523%0.22710%0.096CC..  trans-133.1134.7-176.9-57.185.6000111.6L258 Q259 L278 D279 T281H203-L258 HydrophobicContact CB-CD1 4.31Å; H203-Q259 WeakPolarHBondContact CA-O 3.38Å; H203-L278 HydrophobicContact CB-CB 4.32Å; H203-L278 HydrophobicContact CB-CD1 4.32Å; H203-L278 PolarHBondContact O-N 2.6Å; H203-D279 IonicContact CE1-OD2 3.71Å; H203-D279 IonicContact CG-OD2 2.72Å; H203-D279 PolarHBondContact N-OD1 2.65Å; H203-D279 IonicContact ND1-OD2 2.76Å; H203-D279 PolarHBondContact ND1-OD2 2.92Å; H203-T281 WeakPolarHBondContact O-CG2 3.42Å
204K98.9Very high98.5Very high2 Ų218.2 Ų18.21%0.00911%0.107CC..EExtended strand (participates in β ladder)trans-116.9134.8175.8-68175173.3-67.90110.2Y131 L199 W206 Q259 V275 L276 N277 T281Y131-K204 PolarHBondContact OH-NZ 3.04Å; L199-K204 HydrophobicContact CD1-CD 3.93Å; L199-K204 HydrophobicContact CD1-CG 4.09Å; L199-K204 HydrophobicContact CD2-CB 4.29Å; L199-K204 HydrophobicContact CD2-CD 4.32Å; L199-K204 HydrophobicContact CD2-CG 4.05Å; K204-W206 HydrophobicContact CD-CZ2 4.35Å; K204-Q259 HydrophobicContact CB-CB 4.16Å; K204-Q259 PolarHBondContact N-O 2.97Å; K204-Q259 VanDerWaalsContact N-O 3.11Å; K204-Q259 PolarHBondContact O-N 3.28Å; K204-V275 HydrophobicContact CB-CG1 3.98Å; K204-V275 HydrophobicContact CD-CG1 4.05Å; K204-V275 HydrophobicContact CG-CG1 4.2Å; K204-L276 WeakPolarHBondContact CA-O 3.25Å; K204-N277 PolarHBondContact NZ-OD1 2.91Å; K204-T281 HydrophobicContact CG-CG2 4.02Å
205R98.9Very high98.3Very high26 Ų2625.3 Ų25.310%0.09813%0.134CC..EExtended strand (participates in β ladder)trans-100.2131.7171.9-178.2-179.5-170.81776.7109.8V42 F236 Y240 E256 I257 V275 L276 L278V42-R205 HydrophobicContact CG1-CG 3.89Å; V42-R205 HydrophobicContact CG2-CG 4.31Å; R205-F236 HydrophobicContact CB-CZ 4.45Å; R205-F236 HydrophobicContact CG-CE1 3.86Å; R205-F236 HydrophobicContact CG-CZ 3.86Å; R205-Y240 PolarHBondContact NH2-OH 3.49Å; R205-E256 IonicContact NH2-OE2 2.74Å; R205-I257 CarbonylContact C-O 3.54Å; R205-I257 WeakPolarHBondContact CA-O 3.36Å; R205-V275 WeakPolarHBondContact O-CA 3.45Å; R205-L276 HydrophobicContact CB-CB 4.5Å; R205-L276 PolarHBondContact N-O 2.96Å; R205-L276 PolarHBondContact O-N 2.93Å; R205-L278 HydrophobicContact CB-CD1 4.24Å; R205-L278 HydrophobicContact CB-CD2 3.88Å; R205-L278 HydrophobicContact CB-CG 4.14Å
206W98.9Very high98.1Very high4 Ų432.5 Ų32.52%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-121.7146-179.3-58.370000111.5N197 K204 L208 E256 I257 V265 V267 H273 V274 V275N197-W206 HydrophobicContact CB-CH2 3.85Å; N197-W206 HydrophobicContact CB-CZ2 4Å; K204-W206 HydrophobicContact CD-CZ2 4.35Å; W206-L208 HydrophobicContact CB-CD1 3.89Å; W206-E256 WeakPolarHBondContact O-CA 3.32Å; W206-I257 HydrophobicContact CB-CB 3.86Å; W206-I257 HydrophobicContact CB-CD1 4.37Å; W206-I257 HydrophobicContact CB-CG1 4.04Å; W206-I257 HydrophobicContact CG-CB 4.12Å; W206-I257 PolarHBondContact N-O 2.9Å; W206-I257 PolarHBondContact O-N 3.27Å; W206-V265 HydrophobicContact CZ2-CG2 4.36Å; W206-V267 HydrophobicContact CZ3-CG2 4.04Å; W206-H273 HydrophobicContact CE3-CB 4.47Å; W206-H273 AromaticContact CZ3-CD2 3.97Å; W206-V274 WeakPolarHBondContact CA-O 3.07Å; W206-V275 HydrophobicContact CD2-CB 4.45Å; W206-V275 HydrophobicContact CD2-CG1 4.13Å; W206-V275 HydrophobicContact CD2-CG2 3.67Å; W206-V275 HydrophobicContact CE3-CG2 3.36Å; W206-V275 HydrophobicContact CH2-CG1 4.44Å; W206-V275 HydrophobicContact CH2-CG2 3.56Å; W206-V275 HydrophobicContact CZ2-CG1 3.92Å; W206-V275 HydrophobicContact CZ2-CG2 3.87Å; W206-V275 HydrophobicContact CZ3-CG2 3.3Å
207C98.9Very high98.1Very high0 Ų034.7 Ų34.70%018%0.178CC..EExtended strand (participates in β ladder)trans-124138.2153.9-69.30000108.7F209 W235 P254 L255 H273 V274C207-F209 HydrophobicContact CB-CE2 4.09Å; C207-W235 HydrophobicContact CB-CH2 3.65Å; C207-W235 HydrophobicContact CB-CZ3 3.8Å; C207-P254 HydrophobicContact CB-CB 4.13Å; C207-L255 CarbonylContact C-O 3.58Å; C207-L255 VanDerWaalsContact CA-O 3.27Å; C207-L255 WeakPolarHBondContact CA-O 3.39Å; C207-H273 WeakPolarHBondContact O-CA 3.15Å; C207-V274 HydrophobicContact CB-CG1 3.74Å; C207-V274 PolarHBondContact N-O 3.45Å; C207-V274 PolarHBondContact O-N 3.37Å; C207-V274 VanDerWaalsContact O-N 3.08Å
208L98.9Very high98Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-128.5143.7177-52.386.7000111.3P69 W206 L255 I257 W271 W272 H273P69-L208 HydrophobicContact CB-CD2 4.28Å; P69-L208 HydrophobicContact CG-CD2 4.31Å; W206-L208 HydrophobicContact CB-CD1 3.89Å; L208-L255 HydrophobicContact CB-CB 4.27Å; L208-L255 HydrophobicContact CD1-CB 4.43Å; L208-L255 PolarHBondContact N-O 3.3Å; L208-L255 PolarHBondContact O-N 3.16Å; L208-I257 HydrophobicContact CD1-CD1 3.62Å; L208-I257 HydrophobicContact CD1-CG1 3.82Å; L208-W271 HydrophobicContact CB-CE3 3.89Å; L208-W271 HydrophobicContact CB-CZ3 4.35Å; L208-W272 CarbonylContact C-O 3.49Å; L208-W272 WeakPolarHBondContact CA-O 3.44Å; L208-H273 HydrophobicContact CD2-CB 4.22Å; L208-H273 HydrophobicContact CG-CB 4.02Å
209F98.8Very high97.9Very high0 Ų036.2 Ų36.20%018%0.184CC..EExtended strand (participates in β ladder)trans-132.4145.8177.7-56.5-99.1000111I186 C207 T213 I218 W235 T243 W248 F252 P254 W271 W272I186-F209 HydrophobicContact CD1-CD2 3.91Å; I186-F209 HydrophobicContact CD1-CE2 3.99Å; C207-F209 HydrophobicContact CB-CE2 4.09Å; F209-T213 HydrophobicContact CB-CG2 4.24Å; F209-T213 WeakPolarHBondContact CB-OG1 3.26Å; F209-T213 HydrophobicContact CD1-CG2 4.36Å; F209-I218 HydrophobicContact CB-CD1 4.43Å; F209-I218 HydrophobicContact CD1-CG2 4.08Å; F209-I218 HydrophobicContact CD2-CG2 4.39Å; F209-I218 HydrophobicContact CE1-CG2 4Å; F209-I218 HydrophobicContact CE2-CG2 4.34Å; F209-I218 HydrophobicContact CG-CG2 4.27Å; F209-I218 HydrophobicContact CZ-CG2 4.12Å; F209-W235 AromaticContact CE2-CH2 3.67Å; F209-W235 HydrophobicContact CE2-CH2 3.67Å; F209-W235 AromaticContact CE2-CZ2 3.48Å; F209-W235 HydrophobicContact CE2-CZ2 3.48Å; F209-W235 VanDerWaalsContact CE2-CZ2 3.48Å; F209-W235 AromaticContact CZ-CH2 3.83Å; F209-W235 HydrophobicContact CZ-CH2 3.83Å; F209-W235 AromaticContact CZ-CZ2 3.76Å; F209-W235 HydrophobicContact CZ-CZ2 3.76Å; F209-T243 HydrophobicContact CZ-CG2 4.23Å; F209-W248 AromaticContact CE1-CZ2 3.99Å; F209-W248 HydrophobicContact CE1-CZ2 3.99Å; F209-F252 WeakPolarHBondContact CD1-O 3.42Å; F209-F252 VanDerWaalsContact CE1-O 3.31Å; F209-F252 WeakPolarHBondContact CE1-O 3.27Å; F209-P254 HydrophobicContact CD1-CB 4.46Å; F209-P254 HydrophobicContact CE1-CB 3.78Å; F209-P254 HydrophobicContact CE1-CG 4.29Å; F209-P254 HydrophobicContact CE2-CB 4.18Å; F209-P254 HydrophobicContact CZ-CB 3.63Å; F209-P254 HydrophobicContact CZ-CG 4.2Å; F209-W271 VanDerWaalsContact C-CE3 3.4Å; F209-W271 WeakPolarHBondContact O-CA 3.21Å; F209-W272 HydrophobicContact CB-CB 4.08Å; F209-W272 PolarHBondContact N-O 3.48Å; F209-W272 PolarHBondContact O-N 3.31Å
210P97.9Very high97.8Very high35 Ų3536.5 Ų36.523%0.22719%0.186CC..  trans-65.1158.1179.127.8-34.8000111.5S212 T213 F252 W271P210-S212 PolarHBondContact O-N 3.02Å; P210-S212 VanDerWaalsContact O-N 3.13Å; P210-T213 WeakPolarHBondContact CD-OG1 3.48Å; P210-T213 WeakPolarHBondContact CG-OG1 3.32Å; P210-T213 VanDerWaalsContact O-CB 3.28Å; P210-T213 WeakPolarHBondContact O-CB 3.45Å; P210-T213 PolarHBondContact O-N 2.77Å; P210-T213 PolarHBondContact O-OG1 2.72Å; P210-F252 HydrophobicContact CG-CD1 4.47Å; P210-W271 HydrophobicContact CB-CH2 4.45Å
211T96.6Very high97.7Very high36 Ų3639.3 Ų39.322%0.22120%0.203CC..THydrogen-bonded Turntrans-61.7-24.6-175.3-150.40000114.2T213 G270 G337 I338 A339T211-T213 PolarHBondContact O-N 3.04Å; T211-G270 WeakPolarHBondContact CA-O 3.48Å; T211-G270 WeakPolarHBondContact CB-O 3.45Å; T211-G270 PolarHBondContact OG1-O 2.85Å; T211-G337 WeakPolarHBondContact CG2-O 3.26Å; T211-I338 HydrophobicContact CG2-CD1 3.98Å; T211-A339 WeakPolarHBondContact OG1-CB 3.46Å; T211-A339 PolarHBondContact OG1-N 3.09Å
212S96.2Very high97.5Very high86 Ų8646.1 Ų46.160%0.60123%0.226SC*.THydrogen-bonded Turntrans-76.5-6.6177.353.10000113.9P210P210-S212 PolarHBondContact O-N 3.02Å; P210-S212 VanDerWaalsContact O-N 3.13Å
213T97.6Very high97.4Very high6 Ų654.7 Ų54.74%0.03726%0.264CS..SBendtrans-64.9127.5-178.5-51.40000110.3F209 P210 T211 R215 L217 I218 F252F209-T213 HydrophobicContact CB-CG2 4.24Å; F209-T213 WeakPolarHBondContact CB-OG1 3.26Å; F209-T213 HydrophobicContact CD1-CG2 4.36Å; P210-T213 WeakPolarHBondContact CD-OG1 3.48Å; P210-T213 WeakPolarHBondContact CG-OG1 3.32Å; P210-T213 VanDerWaalsContact O-CB 3.28Å; P210-T213 WeakPolarHBondContact O-CB 3.45Å; P210-T213 PolarHBondContact O-N 2.77Å; P210-T213 PolarHBondContact O-OG1 2.72Å; T211-T213 PolarHBondContact O-N 3.04Å; T213-R215 PolarHBondContact O-N 3.46Å; T213-L217 HydrophobicContact CG2-CD2 4.39Å; T213-I218 HydrophobicContact CG2-CD1 3.9Å; T213-I218 HydrophobicContact CG2-CG1 4.35Å; T213-I218 HydrophobicContact CG2-CG2 3.79Å; T213-F252 HydrophobicContact CG2-CB 4.29Å; T213-F252 HydrophobicContact CG2-CD1 3.96Å; T213-F252 HydrophobicContact CG2-CG 4.13Å
214P97.3Very high97.3Very high44 Ų4456 Ų5629%0.28627%0.27SS..  trans-58.2131.9177.1-22.632.2000111.3E216 L217 F252P214-E216 VanDerWaalsContact C-N 3.31Å; P214-E216 HydrophobicContact CB-CG 4.44Å; P214-E216 WeakPolarHBondContact CB-OE1 3.37Å; P214-E216 PolarHBondContact O-N 3.39Å; P214-L217 HydrophobicContact CB-CB 4.33Å; P214-L217 WeakPolarHBondContact O-CB 3.48Å; P214-L217 PolarHBondContact O-N 2.86Å; P214-L217 VanDerWaalsContact O-N 3.16Å; P214-F252 HydrophobicContact CG-CE2 4.28Å; P214-F252 HydrophobicContact CG-CZ 4.4Å
215R95.4Very high97Very high150 Ų15056.2 Ų56.257%0.56627%0.273SS*.Hα-helixtrans-62.5-40.6-173.2177.2-178.4166.4-165-3.5111.5T213 L217 I218 K219 W272T213-R215 PolarHBondContact O-N 3.46Å; R215-L217 PolarHBondContact O-N 3.14Å; R215-I218 PolarHBondContact O-N 3.38Å; R215-K219 HydrophobicContact CG-CB 4.46Å; R215-K219 HydrophobicContact CG-CG 3.62Å; R215-K219 WeakPolarHBondContact O-CB 3.24Å; R215-K219 WeakPolarHBondContact O-CG 3.42Å; R215-K219 PolarHBondContact O-N 2.96Å; R215-W272 HydrophobicContact CB-CZ2 4.5Å; R215-W272 HydrophobicContact CG-CH2 4.37Å; R215-W272 HydrophobicContact CG-CZ2 4.48Å
216E95.5Very high96.9Very high156 Ų15657 Ų5773%0.72929%0.289SS*.Hα-helixtrans-63.2-24.7179.463.1-83.1-168.300113.3P214 I218P214-E216 VanDerWaalsContact C-N 3.31Å; P214-E216 HydrophobicContact CB-CG 4.44Å; P214-E216 WeakPolarHBondContact CB-OE1 3.37Å; P214-E216 PolarHBondContact O-N 3.39Å; E216-I218 VanDerWaalsContact C-N 3.34Å
217L97.2Very high96.7Very high46 Ų4658.6 Ų58.624%0.24130%0.298CS..Hα-helixtrans-73.1-30.1178.2-175.862.3000111.9T213 P214 R215 W248 P249 F252T213-L217 HydrophobicContact CG2-CD2 4.39Å; P214-L217 HydrophobicContact CB-CB 4.33Å; P214-L217 WeakPolarHBondContact O-CB 3.48Å; P214-L217 PolarHBondContact O-N 2.86Å; P214-L217 VanDerWaalsContact O-N 3.16Å; R215-L217 PolarHBondContact O-N 3.14Å; L217-W248 HydrophobicContact CD1-CE3 4.47Å; L217-W248 HydrophobicContact CD1-CH2 3.78Å; L217-W248 HydrophobicContact CD1-CZ2 4.33Å; L217-W248 HydrophobicContact CD1-CZ3 3.85Å; L217-W248 HydrophobicContact CD2-CH2 4.17Å; L217-W248 HydrophobicContact CD2-CZ2 3.95Å; L217-W248 HydrophobicContact CG-CH2 3.59Å; L217-W248 HydrophobicContact CG-CZ2 3.89Å; L217-W248 HydrophobicContact CG-CZ3 4.2Å; L217-P249 HydrophobicContact CD2-CG 4.31Å; L217-F252 HydrophobicContact CD2-CB 4.07Å; L217-F252 HydrophobicContact CD2-CD2 3.85Å; L217-F252 HydrophobicContact CD2-CG 4.2Å
218I97.9Very high96.5Very high0 Ų058.8 Ų58.80%030%0.298CS..Hα-helixtrans-121.7-5.1-167.960.6173000114.3I186 F209 T213 R215 E216 W235 W248 W272I186-I218 HydrophobicContact CD1-CB 4.05Å; I186-I218 HydrophobicContact CD1-CD1 3.92Å; I186-I218 HydrophobicContact CD1-CG1 4.26Å; F209-I218 HydrophobicContact CB-CD1 4.43Å; F209-I218 HydrophobicContact CD1-CG2 4.08Å; F209-I218 HydrophobicContact CD2-CG2 4.39Å; F209-I218 HydrophobicContact CE1-CG2 4Å; F209-I218 HydrophobicContact CE2-CG2 4.34Å; F209-I218 HydrophobicContact CG-CG2 4.27Å; F209-I218 HydrophobicContact CZ-CG2 4.12Å; T213-I218 HydrophobicContact CG2-CD1 3.9Å; T213-I218 HydrophobicContact CG2-CG1 4.35Å; T213-I218 HydrophobicContact CG2-CG2 3.79Å; R215-I218 PolarHBondContact O-N 3.38Å; E216-I218 VanDerWaalsContact C-N 3.34Å; I218-W235 PolarHBondContact O-NE1 2.95Å; I218-W248 HydrophobicContact CG2-CH2 4.3Å; I218-W248 HydrophobicContact CG2-CZ2 4.32Å; I218-W272 HydrophobicContact CD1-CB 3.99Å; I218-W272 HydrophobicContact CD1-CD2 3.66Å; I218-W272 HydrophobicContact CD1-CE3 4.35Å; I218-W272 HydrophobicContact CD1-CG 3.48Å; I218-W272 VanDerWaalsContact CD1-CG 3.48Å
219K97.4Very high96.3Very high45 Ų4561 Ų6120%0.19631%0.309CS..SBendtrans-94.5137.8173.7-74.4-72.3-68.5175.50110.8I186 R215 D230I186-K219 HydrophobicContact CG2-CD 3.7Å; R215-K219 HydrophobicContact CG-CB 4.46Å; R215-K219 HydrophobicContact CG-CG 3.62Å; R215-K219 WeakPolarHBondContact O-CB 3.24Å; R215-K219 WeakPolarHBondContact O-CG 3.42Å; R215-K219 PolarHBondContact O-N 2.96Å; K219-D230 IonicContact NZ-OD1 4Å; K219-D230 PolarHBondContact NZ-OD1 2.88Å
220V97.1Very high96.2Very high7 Ų763 Ų634%0.04232%0.319CS..PPolyproline II helixtrans-70.1132.1170.5-178.70000108.9E224 Q229 T234 W235 V238 I239V220-E224 HydrophobicContact CG1-CB 3.99Å; V220-Q229 HydrophobicContact CB-CG 4.34Å; V220-Q229 HydrophobicContact CG1-CG 4.29Å; V220-Q229 WeakPolarHBondContact O-CG 3.27Å; V220-Q229 PolarHBondContact O-NE2 3.39Å; V220-T234 HydrophobicContact CG1-CG2 4.11Å; V220-T234 HydrophobicContact CG2-CG2 4.45Å; V220-W235 HydrophobicContact CG2-CB 4.4Å; V220-V238 HydrophobicContact CG2-CB 4.49Å; V220-I239 HydrophobicContact CG2-CD1 4.32Å; V220-I239 HydrophobicContact CG2-CG1 3.75Å
221T96.8Very high96.2Very high64 Ų6461.9 Ų61.939%0.39331%0.311SS..PPolyproline II helixtrans-77.5162.6175.773.80000111E223 E224 G225T221-E223 PolarHBondContact O-N 3.02Å; T221-E224 PolarHBondContact N-OE2 2.88Å; T221-E224 PolarHBondContact O-N 2.95Å; T221-E224 WeakPolarHBondContact OG1-CG 3.33Å; T221-E224 PolarHBondContact OG1-N 2.86Å; T221-E224 PolarHBondContact OG1-OE2 2.94Å; T221-G225 PolarHBondContact O-N 3.07Å
222R94.3Very high96.3Very high202 Ų20260.2 Ų60.276%0.76230%0.301SS*.Hα-helixtrans-63.4-32.6177.4-171.8177.1178.8-167.1-0.9112.3G226R222-G226 WeakPolarHBondContact O-CA 3.4Å; R222-G226 PolarHBondContact O-N 2.92Å
223E96.1Very high96.4Very high190 Ų19056.2 Ų56.289%0.88827%0.273SS*.Hα-helixtrans-67.4-41.3178.6-63.7-179.1175.100111.7T221T221-E223 PolarHBondContact O-N 3.02Å
224E96Very high96.5Very high77 Ų7756.1 Ų56.136%0.3627%0.273SS..Hα-helixtrans-76.7-37.9179.7-65.5169.5149.700112.5V220 T221 V238 R242V220-E224 HydrophobicContact CG1-CB 3.99Å; T221-E224 PolarHBondContact N-OE2 2.88Å; T221-E224 PolarHBondContact O-N 2.95Å; T221-E224 WeakPolarHBondContact OG1-CG 3.33Å; T221-E224 PolarHBondContact OG1-N 2.86Å; T221-E224 PolarHBondContact OG1-OE2 2.94Å; E224-V238 HydrophobicContact CB-CG1 4.12Å; E224-V238 HydrophobicContact CG-CG1 4.44Å; E224-R242 IonicContact OE1-CZ 3Å; E224-R242 VanDerWaalsContact OE1-CZ 3.26Å; E224-R242 IonicContact OE1-NH1 3.79Å; E224-R242 PolarHBondContact OE1-NH1 2.85Å; E224-R242 IonicContact OE1-NH2 2.68Å; E224-R242 PolarHBondContact OE1-NH2 2.95Å; E224-R242 IonicContact OE2-NH1 3.94Å; E224-R242 IonicContact OE2-NH2 2.71Å
225G94.5Very high96.6Very high6 Ų654.2 Ų54.26%0.06226%0.26CS..Hα-helixtrans-98.2-22.6-170.200000115.7T221 N227 Q228 Q229T221-G225 PolarHBondContact O-N 3.07Å; G225-N227 PolarHBondContact O-N 2.72Å; G225-Q228 CarbonylContact O-C 3.37Å; G225-Q228 WeakPolarHBondContact O-CA 3.42Å; G225-Q228 PolarHBondContact O-N 3.16Å; G225-Q229 PolarHBondContact O-N 3.13Å
226G96.1Very high96.7Very high42 Ų4247.3 Ų47.343%0.43323%0.234SC..G310 helixtrans52.7-128.3-177.600000113.1R222 Q228R222-G226 WeakPolarHBondContact O-CA 3.4Å; R222-G226 PolarHBondContact O-N 2.92Å; G226-Q228 VanDerWaalsContact C-N 3.26Å; G226-Q228 PolarHBondContact O-N 3.34Å
227N93.9Very high96.9Very high39 Ų3943.3 Ų43.321%0.20922%0.217CC..G310 helixtrans-80.91177.161.8-1.5000114R17 E19 L20 G225R17-N227 PolarHBondContact NH2-O 2.85Å; E19-N227 HydrophobicContact CG-CB 4.12Å; L20-N227 HydrophobicContact CD2-CB 4.05Å; L20-N227 WeakPolarHBondContact CD2-ND2 3.34Å; G225-N227 PolarHBondContact O-N 2.72Å
228Q94.9Very high96.9Very high3 Ų342.2 Ų42.21%0.01421%0.213CC..G310 helixtrans-118.923.2176.5-60-70.820.300111.6G225 G226 D230 E231 T234G225-Q228 CarbonylContact O-C 3.37Å; G225-Q228 WeakPolarHBondContact O-CA 3.42Å; G225-Q228 PolarHBondContact O-N 3.16Å; G226-Q228 VanDerWaalsContact C-N 3.26Å; G226-Q228 PolarHBondContact O-N 3.34Å; Q228-D230 VanDerWaalsContact C-N 3.35Å; Q228-D230 PolarHBondContact O-N 3.3Å; Q228-E231 HydrophobicContact CB-CG 3.96Å; Q228-E231 WeakPolarHBondContact O-CG 3.25Å; Q228-E231 PolarHBondContact O-N 2.98Å; Q228-E231 VanDerWaalsContact OE1-CG 3.26Å; Q228-T234 VanDerWaalsContact O-CB 3.22Å; Q228-T234 WeakPolarHBondContact O-CB 2.81Å; Q228-T234 WeakPolarHBondContact O-CG2 3.4Å; Q228-T234 PolarHBondContact O-OG1 2.89Å
229Q95.2Very high97Very high48 Ų4842.3 Ų42.322%0.22421%0.213CC..THydrogen-bonded Turntrans-54.9-44-171.1-178.4-177.7-3.300114V220 G225V220-Q229 HydrophobicContact CB-CG 4.34Å; V220-Q229 HydrophobicContact CG1-CG 4.29Å; V220-Q229 WeakPolarHBondContact O-CG 3.27Å; V220-Q229 PolarHBondContact O-NE2 3.39Å; G225-Q229 PolarHBondContact O-N 3.13Å
230D96.2Very high97Very high40 Ų4041.5 Ų41.521%0.21421%0.209CC..THydrogen-bonded Turntrans-9511.7-173.5-65.7-57.9000113.6G185 K219 Q228G185-D230 VanDerWaalsContact CA-O 3.27Å; G185-D230 WeakPolarHBondContact CA-O 3.48Å; K219-D230 IonicContact NZ-OD1 4Å; K219-D230 PolarHBondContact NZ-OD1 2.88Å; Q228-D230 VanDerWaalsContact C-N 3.35Å; Q228-D230 PolarHBondContact O-N 3.3Å
231E98.4Very high97.1Very high13 Ų1344.2 Ų44.26%0.06123%0.227CC..  trans-79.9143.4179.2-54.4-58.513900112.3R17 S128 Q228 I233 T234 W235 S349R17-E231 IonicContact CZ-OE1 3.12Å; R17-E231 IonicContact NH1-OE1 2.73Å; R17-E231 PolarHBondContact NH1-OE1 2.97Å; R17-E231 IonicContact NH1-OE2 3.63Å; R17-E231 IonicContact NH2-OE1 3.03Å; S128-E231 VanDerWaalsContact CB-OE2 3.26Å; S128-E231 WeakPolarHBondContact CB-OE2 3.07Å; S128-E231 PolarHBondContact OG-OE2 2.96Å; Q228-E231 HydrophobicContact CB-CG 3.96Å; Q228-E231 WeakPolarHBondContact O-CG 3.25Å; Q228-E231 PolarHBondContact O-N 2.98Å; Q228-E231 VanDerWaalsContact OE1-CG 3.26Å; E231-I233 VanDerWaalsContact C-N 3.34Å; E231-I233 HydrophobicContact CB-CG2 4.32Å; E231-I233 PolarHBondContact O-N 2.64Å; E231-T234 WeakPolarHBondContact O-CB 3.16Å; E231-T234 PolarHBondContact O-N 2.86Å; E231-W235 PolarHBondContact O-N 2.75Å; E231-S349 WeakPolarHBondContact OE1-CB 3.45Å; E231-S349 PolarHBondContact OE1-OG 2.94Å
232A98.6Very high97.2Very high1 Ų145.6 Ų45.61%0.00823%0.225CC..Hα-helixtrans-57-46176.200000112.3T234 W235 F236 V274 V275 L276A232-T234 VanDerWaalsContact C-N 3.31Å; A232-T234 PolarHBondContact O-N 3.38Å; A232-W235 WeakPolarHBondContact O-CB 3.39Å; A232-W235 PolarHBondContact O-N 3.38Å; A232-W235 VanDerWaalsContact O-N 3.16Å; A232-F236 VanDerWaalsContact O-CD2 3.29Å; A232-F236 WeakPolarHBondContact O-CD2 3.44Å; A232-F236 PolarHBondContact O-N 3.17Å; A232-V274 HydrophobicContact CB-CG2 4.13Å; A232-V275 VanDerWaalsContact CB-O 3.25Å; A232-V275 WeakPolarHBondContact CB-O 3.26Å; A232-L276 HydrophobicContact CB-CD1 4.17Å
233I98.7Very high97.4Very high1 Ų136.2 Ų36.21%0.00519%0.19CC..Hα-helixtrans-64.1-36.5-179.2-168.3159.6000112.2Y31 F35 R181 E231 W235 F236 N237 L276Y31-I233 HydrophobicContact CD2-CD1 3.64Å; Y31-I233 HydrophobicContact CD2-CG1 3.84Å; Y31-I233 HydrophobicContact CD2-CG2 4.07Å; Y31-I233 HydrophobicContact CE2-CD1 4.44Å; Y31-I233 HydrophobicContact CE2-CG1 4.15Å; Y31-I233 HydrophobicContact CE2-CG2 4.14Å; Y31-I233 HydrophobicContact CG-CD1 3.77Å; Y31-I233 HydrophobicContact CG-CG1 4.25Å; F35-I233 HydrophobicContact CB-CD1 4.32Å; F35-I233 HydrophobicContact CD1-CD1 4.05Å; F35-I233 HydrophobicContact CD1-CG1 4.34Å; F35-I233 HydrophobicContact CD2-CD1 4.47Å; F35-I233 HydrophobicContact CD2-CG1 4.26Å; F35-I233 HydrophobicContact CE1-CG1 4.42Å; F35-I233 HydrophobicContact CE2-CG1 4.34Å; F35-I233 HydrophobicContact CG-CD1 4.02Å; F35-I233 HydrophobicContact CG-CG1 4.26Å; F35-I233 HydrophobicContact CZ-CG1 4.43Å; R181-I233 HydrophobicContact CB-CD1 3.69Å; R181-I233 HydrophobicContact CG-CD1 3.61Å; E231-I233 VanDerWaalsContact C-N 3.34Å; E231-I233 HydrophobicContact CB-CG2 4.32Å; E231-I233 PolarHBondContact O-N 2.64Å; I233-W235 VanDerWaalsContact C-N 3.35Å; I233-F236 PolarHBondContact O-N 2.92Å; I233-N237 WeakPolarHBondContact O-CB 3.23Å; I233-N237 PolarHBondContact O-N 3.36Å; I233-L276 HydrophobicContact CB-CD1 3.98Å
234T98.7Very high97.4Very high5 Ų531.5 Ų31.53%0.03117%0.168CC..Hα-helixtrans-61.9-45.4173.5-55.40000110.3V220 Q228 E231 A232 F236 N237 V238V220-T234 HydrophobicContact CG1-CG2 4.11Å; V220-T234 HydrophobicContact CG2-CG2 4.45Å; Q228-T234 VanDerWaalsContact O-CB 3.22Å; Q228-T234 WeakPolarHBondContact O-CB 2.81Å; Q228-T234 WeakPolarHBondContact O-CG2 3.4Å; Q228-T234 PolarHBondContact O-OG1 2.89Å; E231-T234 WeakPolarHBondContact O-CB 3.16Å; E231-T234 PolarHBondContact O-N 2.86Å; A232-T234 VanDerWaalsContact C-N 3.31Å; A232-T234 PolarHBondContact O-N 3.38Å; T234-F236 PolarHBondContact O-N 3.46Å; T234-N237 PolarHBondContact O-N 2.95Å; T234-N237 VanDerWaalsContact O-N 3.17Å; T234-V238 HydrophobicContact CG2-CG2 4.18Å; T234-V238 WeakPolarHBondContact O-CB 3.49Å; T234-V238 WeakPolarHBondContact O-CG2 3.46Å; T234-V238 PolarHBondContact O-N 2.91Å
235W98.8Very high97.6Very high4 Ų432.3 Ų32.32%0.01517%0.174CC..Hα-helixtrans-59.7-46176.5-170.894.9000112.3I186 C207 F209 I218 V220 E231 A232 I233 N237 V238 I239 Y240 V274I186-W235 HydrophobicContact CD1-CZ2 3.94Å; C207-W235 HydrophobicContact CB-CH2 3.65Å; C207-W235 HydrophobicContact CB-CZ3 3.8Å; F209-W235 AromaticContact CE2-CH2 3.67Å; F209-W235 HydrophobicContact CE2-CH2 3.67Å; F209-W235 AromaticContact CE2-CZ2 3.48Å; F209-W235 HydrophobicContact CE2-CZ2 3.48Å; F209-W235 VanDerWaalsContact CE2-CZ2 3.48Å; F209-W235 AromaticContact CZ-CH2 3.83Å; F209-W235 HydrophobicContact CZ-CH2 3.83Å; F209-W235 AromaticContact CZ-CZ2 3.76Å; F209-W235 HydrophobicContact CZ-CZ2 3.76Å; I218-W235 PolarHBondContact O-NE1 2.95Å; V220-W235 HydrophobicContact CG2-CB 4.4Å; E231-W235 PolarHBondContact O-N 2.75Å; A232-W235 WeakPolarHBondContact O-CB 3.39Å; A232-W235 PolarHBondContact O-N 3.38Å; A232-W235 VanDerWaalsContact O-N 3.16Å; I233-W235 VanDerWaalsContact C-N 3.35Å; W235-N237 VanDerWaalsContact C-N 3.27Å; W235-N237 PolarHBondContact O-N 3.07Å; W235-V238 PolarHBondContact O-N 3.12Å; W235-I239 HydrophobicContact CD2-CB 4.08Å; W235-I239 HydrophobicContact CD2-CG2 4.48Å; W235-I239 HydrophobicContact CG-CB 4.29Å; W235-I239 HydrophobicContact CG-CG1 4.35Å; W235-I239 HydrophobicContact CH2-CG2 4.39Å; W235-I239 HydrophobicContact CZ2-CB 4.1Å; W235-I239 HydrophobicContact CZ2-CG2 3.6Å; W235-I239 PolarHBondContact O-N 2.9Å; W235-Y240 HydrophobicContact CZ3-CD2 4.25Å; W235-Y240 PolarHBondContact O-N 3.37Å; W235-V274 HydrophobicContact CB-CG2 4.2Å; W235-V274 HydrophobicContact CD2-CB 4.38Å; W235-V274 HydrophobicContact CD2-CG1 3.86Å; W235-V274 HydrophobicContact CD2-CG2 4.17Å; W235-V274 HydrophobicContact CE3-CB 4.39Å; W235-V274 HydrophobicContact CE3-CG1 3.54Å; W235-V274 HydrophobicContact CE3-CG2 4.15Å; W235-V274 HydrophobicContact CG-CG2 4.18Å; W235-V274 HydrophobicContact CH2-CG1 4Å; W235-V274 HydrophobicContact CZ2-CG1 4.27Å; W235-V274 HydrophobicContact CZ3-CG1 3.61Å
236F98.8Very high97.7Very high4 Ų438.5 Ų38.52%0.01821%0.213CC..Hα-helixtrans-68.6-23.4177.3-82-75.7000113.5F35 R205 A232 I233 T234 Y240 V274 L276F35-F236 HydrophobicContact CZ-CB 3.89Å; R205-F236 HydrophobicContact CB-CZ 4.45Å; R205-F236 HydrophobicContact CG-CE1 3.86Å; R205-F236 HydrophobicContact CG-CZ 3.86Å; A232-F236 VanDerWaalsContact O-CD2 3.29Å; A232-F236 WeakPolarHBondContact O-CD2 3.44Å; A232-F236 PolarHBondContact O-N 3.17Å; I233-F236 PolarHBondContact O-N 2.92Å; T234-F236 PolarHBondContact O-N 3.46Å; F236-Y240 HydrophobicContact CD1-CD2 4.26Å; F236-Y240 HydrophobicContact CD1-CG 4.03Å; F236-Y240 HydrophobicContact CE1-CD2 4.35Å; F236-Y240 WeakPolarHBondContact O-CB 3Å; F236-V274 HydrophobicContact CD2-CG2 4.4Å; F236-V274 HydrophobicContact CE2-CG1 4.2Å; F236-V274 HydrophobicContact CE2-CG2 3.96Å; F236-V274 HydrophobicContact CZ-CG1 4.18Å; F236-L276 HydrophobicContact CB-CD2 4.46Å; F236-L276 HydrophobicContact CD2-CB 3.65Å; F236-L276 HydrophobicContact CD2-CD2 3.94Å; F236-L276 HydrophobicContact CD2-CG 4.31Å; F236-L276 HydrophobicContact CE2-CB 3.46Å; F236-L276 VanDerWaalsContact CE2-CB 3.46Å; F236-L276 HydrophobicContact CE2-CD2 4.49Å; F236-L276 HydrophobicContact CG-CD2 4.27Å; F236-L276 HydrophobicContact CZ-CB 4.34Å
237N98.6Very high97.8Very high72 Ų7242.3 Ų42.339%0.38523%0.228SC..Hα-helixtrans-83.5-34.5175.2-170.575.2000112.5Y31 F35 I233 T234 W235 P241Y31-N237 HydrophobicContact CE1-CB 4.4Å; Y31-N237 PolarHBondContact OH-ND2 3.16Å; F35-N237 HydrophobicContact CD2-CB 4.44Å; F35-N237 HydrophobicContact CE2-CB 4.03Å; I233-N237 WeakPolarHBondContact O-CB 3.23Å; I233-N237 PolarHBondContact O-N 3.36Å; T234-N237 PolarHBondContact O-N 2.95Å; T234-N237 VanDerWaalsContact O-N 3.17Å; W235-N237 VanDerWaalsContact C-N 3.27Å; W235-N237 PolarHBondContact O-N 3.07Å; N237-P241 WeakPolarHBondContact O-CG 3.28Å
238V98.4Very high98Very high24 Ų2441.5 Ų41.515%0.14522%0.222CC..Hα-helixtrans-100.1-51.2-170.81770000112.7V220 E224 T234 W235 R242V220-V238 HydrophobicContact CG2-CB 4.49Å; E224-V238 HydrophobicContact CB-CG1 4.12Å; E224-V238 HydrophobicContact CG-CG1 4.44Å; T234-V238 HydrophobicContact CG2-CG2 4.18Å; T234-V238 WeakPolarHBondContact O-CB 3.49Å; T234-V238 WeakPolarHBondContact O-CG2 3.46Å; T234-V238 PolarHBondContact O-N 2.91Å; W235-V238 PolarHBondContact O-N 3.12Å; V238-R242 VanDerWaalsContact CG1-NH2 3.32Å; V238-R242 PolarHBondContact O-NE 2.61Å
239I98.6Very high98.2Very high1 Ų143.2 Ų43.21%0.00523%0.234CC..THydrogen-bonded Turntrans-90.3-47.4-171.4-57.2-61000110.9V220 W235 P241 R242 T243V220-I239 HydrophobicContact CG2-CD1 4.32Å; V220-I239 HydrophobicContact CG2-CG1 3.75Å; W235-I239 HydrophobicContact CD2-CB 4.08Å; W235-I239 HydrophobicContact CD2-CG2 4.48Å; W235-I239 HydrophobicContact CG-CB 4.29Å; W235-I239 HydrophobicContact CG-CG1 4.35Å; W235-I239 HydrophobicContact CH2-CG2 4.39Å; W235-I239 HydrophobicContact CZ2-CB 4.1Å; W235-I239 HydrophobicContact CZ2-CG2 3.6Å; W235-I239 PolarHBondContact O-N 2.9Å; I239-P241 VanDerWaalsContact C-CD 3.49Å; I239-R242 WeakPolarHBondContact O-CA 3.38Å; I239-R242 VanDerWaalsContact O-CB 3.24Å; I239-R242 WeakPolarHBondContact O-CB 3.34Å; I239-R242 PolarHBondContact O-N 2.95Å; I239-T243 PolarHBondContact O-N 2.91Å
240Y98.6Very high98.3Very high28 Ų2846.1 Ų46.111%0.1126%0.257CS..Hα-helixtrans-52.1-44.7-175.7178.2-97.9000113.9R205 W235 F236 R242 T243 Q244 E256R205-Y240 PolarHBondContact NH2-OH 3.49Å; W235-Y240 HydrophobicContact CZ3-CD2 4.25Å; W235-Y240 PolarHBondContact O-N 3.37Å; F236-Y240 HydrophobicContact CD1-CD2 4.26Å; F236-Y240 HydrophobicContact CD1-CG 4.03Å; F236-Y240 HydrophobicContact CE1-CD2 4.35Å; F236-Y240 WeakPolarHBondContact O-CB 3Å; Y240-R242 PolarHBondContact O-N 3.07Å; Y240-R242 VanDerWaalsContact O-N 3.17Å; Y240-T243 WeakPolarHBondContact O-CB 3.49Å; Y240-T243 PolarHBondContact O-N 3.04Å; Y240-T243 PolarHBondContact O-OG1 3.01Å; Y240-Q244 HydrophobicContact CE1-CG 3.97Å; Y240-Q244 VanDerWaalsContact CZ-NE2 3.34Å; Y240-Q244 PolarHBondContact OH-NE2 3.09Å; Y240-E256 WeakPolarHBondContact CE2-OE2 3.13Å; Y240-E256 VanDerWaalsContact CZ-OE2 3.32Å; Y240-E256 PolarHBondContact OH-OE2 2.9Å
241P98.6Very high98.3Very high65 Ų6550.4 Ų50.442%0.42228%0.276SS..Hα-helixtrans-58.8-31.3178-25.636.7000113.6N237 I239 T243 Q244N237-P241 WeakPolarHBondContact O-CG 3.28Å; I239-P241 VanDerWaalsContact C-CD 3.49Å; P241-T243 VanDerWaalsContact C-N 3.31Å; P241-T243 PolarHBondContact O-N 2.86Å; P241-Q244 PolarHBondContact O-N 3.47Å
242R98.5Very high98.3Very high93 Ų9351.4 Ų51.435%0.35128%0.28SS..Hα-helixtrans-65.5-36.1176.8-52.1175.1-168.1-165.6-10.8111.4E224 V238 I239 Y240 Q244 L245 W248E224-R242 IonicContact OE1-CZ 3Å; E224-R242 VanDerWaalsContact OE1-CZ 3.26Å; E224-R242 IonicContact OE1-NH1 3.79Å; E224-R242 PolarHBondContact OE1-NH1 2.85Å; E224-R242 IonicContact OE1-NH2 2.68Å; E224-R242 PolarHBondContact OE1-NH2 2.95Å; E224-R242 IonicContact OE2-NH1 3.94Å; E224-R242 IonicContact OE2-NH2 2.71Å; V238-R242 VanDerWaalsContact CG1-NH2 3.32Å; V238-R242 PolarHBondContact O-NE 2.61Å; I239-R242 WeakPolarHBondContact O-CA 3.38Å; I239-R242 VanDerWaalsContact O-CB 3.24Å; I239-R242 WeakPolarHBondContact O-CB 3.34Å; I239-R242 PolarHBondContact O-N 2.95Å; Y240-R242 PolarHBondContact O-N 3.07Å; Y240-R242 VanDerWaalsContact O-N 3.17Å; R242-Q244 PolarHBondContact O-N 3.2Å; R242-L245 WeakPolarHBondContact O-CB 3.45Å; R242-L245 PolarHBondContact O-N 3.06Å; R242-L245 VanDerWaalsContact O-N 3.12Å; R242-W248 HydrophobicContact CB-CE3 4.03Å; R242-W248 HydrophobicContact CB-CZ3 3.89Å
243T98.3Very high98.2Very high5 Ų557.5 Ų57.53%0.03131%0.306CS..Hα-helixtrans-64.7-19178.874.70000113.7F209 I239 Y240 P241 W248 P254F209-T243 HydrophobicContact CZ-CG2 4.23Å; I239-T243 PolarHBondContact O-N 2.91Å; Y240-T243 WeakPolarHBondContact O-CB 3.49Å; Y240-T243 PolarHBondContact O-N 3.04Å; Y240-T243 PolarHBondContact O-OG1 3.01Å; P241-T243 VanDerWaalsContact C-N 3.31Å; P241-T243 PolarHBondContact O-N 2.86Å; T243-W248 HydrophobicContact CG2-CD2 4.22Å; T243-W248 HydrophobicContact CG2-CE3 4.26Å; T243-W248 HydrophobicContact CG2-CH2 3.8Å; T243-W248 HydrophobicContact CG2-CZ2 3.77Å; T243-W248 HydrophobicContact CG2-CZ3 4.05Å; T243-P254 HydrophobicContact CG2-CG 4.35Å
244Q98Very high98.2Very high90 Ų9057.5 Ų57.542%0.42131%0.306SS..THydrogen-bonded Turntrans-93.6-7.1-179.4-52.7-58.7-5200112.2Y240 P241 R242 E256Y240-Q244 HydrophobicContact CE1-CG 3.97Å; Y240-Q244 VanDerWaalsContact CZ-NE2 3.34Å; Y240-Q244 PolarHBondContact OH-NE2 3.09Å; P241-Q244 PolarHBondContact O-N 3.47Å; R242-Q244 PolarHBondContact O-N 3.2Å; Q244-E256 PolarHBondContact NE2-OE1 3.1Å
245L98.1Very high98.2Very high95 Ų9559.5 Ų59.550%0.49732%0.316SS..SBendtrans-77.6146.3178.3-61.7176.8000110.9R242 T247 W248R242-L245 WeakPolarHBondContact O-CB 3.45Å; R242-L245 PolarHBondContact O-N 3.06Å; R242-L245 VanDerWaalsContact O-N 3.12Å; L245-T247 PolarHBondContact O-N 2.99Å; L245-T247 VanDerWaalsContact O-N 3.09Å; L245-W248 WeakPolarHBondContact O-CB 3.22Å; L245-W248 PolarHBondContact O-N 2.93Å
246P97.8Very high98.2Very high135 Ų13559.5 Ų59.588%0.87732%0.317SS*.THydrogen-bonded Turntrans-60.8-19.7175.5-23.633.8000114.4W248P246-W248 VanDerWaalsContact C-N 3.29Å
247T98.1Very high98.2Very high122 Ų12259.3 Ų59.375%0.74832%0.316SS*.THydrogen-bonded Turntrans-81.1-7177.754.90000113.2L245L245-T247 PolarHBondContact O-N 2.99Å; L245-T247 VanDerWaalsContact O-N 3.09Å
248W98.4Very high98.2Very high22 Ų2256.8 Ų56.88%0.08330%0.302CS..SBendtrans-67.8134.6177.6-171.7-95.3000110.6F209 L217 I218 R242 T243 L245 P246 P250 F252F209-W248 AromaticContact CE1-CZ2 3.99Å; F209-W248 HydrophobicContact CE1-CZ2 3.99Å; L217-W248 HydrophobicContact CD1-CE3 4.47Å; L217-W248 HydrophobicContact CD1-CH2 3.78Å; L217-W248 HydrophobicContact CD1-CZ2 4.33Å; L217-W248 HydrophobicContact CD1-CZ3 3.85Å; L217-W248 HydrophobicContact CD2-CH2 4.17Å; L217-W248 HydrophobicContact CD2-CZ2 3.95Å; L217-W248 HydrophobicContact CG-CH2 3.59Å; L217-W248 HydrophobicContact CG-CZ2 3.89Å; L217-W248 HydrophobicContact CG-CZ3 4.2Å; I218-W248 HydrophobicContact CG2-CH2 4.3Å; I218-W248 HydrophobicContact CG2-CZ2 4.32Å; R242-W248 HydrophobicContact CB-CE3 4.03Å; R242-W248 HydrophobicContact CB-CZ3 3.89Å; T243-W248 HydrophobicContact CG2-CD2 4.22Å; T243-W248 HydrophobicContact CG2-CE3 4.26Å; T243-W248 HydrophobicContact CG2-CH2 3.8Å; T243-W248 HydrophobicContact CG2-CZ2 3.77Å; T243-W248 HydrophobicContact CG2-CZ3 4.05Å; L245-W248 WeakPolarHBondContact O-CB 3.22Å; L245-W248 PolarHBondContact O-N 2.93Å; P246-W248 VanDerWaalsContact C-N 3.29Å; W248-P250 VanDerWaalsContact O-CD 3.32Å; W248-P250 WeakPolarHBondContact O-CD 3.3Å; W248-F252 VanDerWaalsContact NE1-C 3.34Å; W248-F252 PolarHBondContact NE1-O 3Å
249P98Very high98.3Very high39 Ų3955.7 Ų55.725%0.25330%0.295SS..  trans-57.7118.5177.8-24.334000111.6L217 E251 F252 K253L217-P249 HydrophobicContact CD2-CG 4.31Å; P249-E251 VanDerWaalsContact C-N 3.27Å; P249-E251 PolarHBondContact O-N 2.91Å; P249-F252 HydrophobicContact CB-CD2 3.87Å; P249-F252 HydrophobicContact CG-CD2 4.44Å; P249-F252 PolarHBondContact O-N 3.49Å; P249-K253 PolarHBondContact O-N 3.03Å
250P97.3Very high98.3Very high110 Ų11060.1 Ų60.171%0.71431%0.314SS*.G310 helixtrans-58.9-35.2-173.8-27.135.8000114.2W248 F252 K253W248-P250 VanDerWaalsContact O-CD 3.32Å; W248-P250 WeakPolarHBondContact O-CD 3.3Å; P250-F252 PolarHBondContact O-N 3.36Å; P250-K253 WeakPolarHBondContact O-CB 3.31Å; P250-K253 PolarHBondContact O-N 3.39Å
251E96.9Very high98.3Very high130 Ų13061.8 Ų61.861%0.60733%0.329SS*.G310 helixtrans-66.4-18.2178.666.7-82.6-169.700113.8P249P249-E251 VanDerWaalsContact C-N 3.27Å; P249-E251 PolarHBondContact O-N 2.91Å
252F97.8Very high98.3Very high34 Ų3460 Ų6015%0.14932%0.323CS..G310 helixtrans-112.921.1177.4-57.6-54.4000112.4F209 P210 T213 P214 L217 W248 P249 P250F209-F252 WeakPolarHBondContact CD1-O 3.42Å; F209-F252 VanDerWaalsContact CE1-O 3.31Å; F209-F252 WeakPolarHBondContact CE1-O 3.27Å; P210-F252 HydrophobicContact CG-CD1 4.47Å; T213-F252 HydrophobicContact CG2-CB 4.29Å; T213-F252 HydrophobicContact CG2-CD1 3.96Å; T213-F252 HydrophobicContact CG2-CG 4.13Å; P214-F252 HydrophobicContact CG-CE2 4.28Å; P214-F252 HydrophobicContact CG-CZ 4.4Å; L217-F252 HydrophobicContact CD2-CB 4.07Å; L217-F252 HydrophobicContact CD2-CD2 3.85Å; L217-F252 HydrophobicContact CD2-CG 4.2Å; W248-F252 VanDerWaalsContact NE1-C 3.34Å; W248-F252 PolarHBondContact NE1-O 3Å; P249-F252 HydrophobicContact CB-CD2 3.87Å; P249-F252 HydrophobicContact CG-CD2 4.44Å; P249-F252 PolarHBondContact O-N 3.49Å; P250-F252 PolarHBondContact O-N 3.36Å
253K98Very high98.3Very high129 Ų12956.3 Ų56.356%0.56131%0.309SS*.PPolyproline II helixtrans-61.8133.3172.8-168.8175.5-177.4173.60109.7P249 P250P249-K253 PolarHBondContact O-N 3.03Å; P250-K253 WeakPolarHBondContact O-CB 3.31Å; P250-K253 PolarHBondContact O-N 3.39Å
254P98.4Very high98.3Very high1 Ų156 Ų561%0.00631%0.308CS..PPolyproline II helixtrans-64.7145.4-177.123.8-33000112.5N45 C207 F209 T243 E256N45-P254 PolarHBondContact ND2-O 3.47Å; C207-P254 HydrophobicContact CB-CB 4.13Å; F209-P254 HydrophobicContact CD1-CB 4.46Å; F209-P254 HydrophobicContact CE1-CB 3.78Å; F209-P254 HydrophobicContact CE1-CG 4.29Å; F209-P254 HydrophobicContact CE2-CB 4.18Å; F209-P254 HydrophobicContact CZ-CB 3.63Å; F209-P254 HydrophobicContact CZ-CG 4.2Å; T243-P254 HydrophobicContact CG2-CG 4.35Å; P254-E256 HydrophobicContact CB-CG 4.24Å; P254-E256 HydrophobicContact CG-CG 4.21Å
255L98.6Very high98.4Very high47 Ų4751.8 Ų51.825%0.24629%0.288CS..EExtended strand (participates in β ladder)trans-75.9129.2153-67.9179000108.2N45 P69 C207 L208 W271N45-L255 WeakPolarHBondContact OD1-CA 3.42Å; P69-L255 HydrophobicContact CB-CD1 4.44Å; P69-L255 HydrophobicContact CG-CD1 4.01Å; C207-L255 CarbonylContact C-O 3.58Å; C207-L255 VanDerWaalsContact CA-O 3.27Å; C207-L255 WeakPolarHBondContact CA-O 3.39Å; L208-L255 HydrophobicContact CB-CB 4.27Å; L208-L255 HydrophobicContact CD1-CB 4.43Å; L208-L255 PolarHBondContact N-O 3.3Å; L208-L255 PolarHBondContact O-N 3.16Å; L255-W271 HydrophobicContact CD1-CH2 3.57Å; L255-W271 HydrophobicContact CD1-CZ3 3.53Å; L255-W271 HydrophobicContact CG-CH2 4.47Å; L255-W271 HydrophobicContact CG-CZ3 4.2Å
256E98.8Very high98.4Very high4 Ų447.2 Ų47.22%0.01926%0.264CS..EExtended strand (participates in β ladder)trans-117.3135.9-177.2-60.7-171.6-12600110.1A43 D44 N45 R205 W206 Y240 Q244 P254A43-E256 VanDerWaalsContact O-CB 3.23Å; A43-E256 WeakPolarHBondContact O-CB 3.35Å; D44-E256 WeakPolarHBondContact CA-O 3.44Å; N45-E256 PolarHBondContact N-O 2.75Å; N45-E256 VanDerWaalsContact N-O 3.07Å; N45-E256 PolarHBondContact OD1-N 3.47Å; N45-E256 PolarHBondContact OD1-O 3.4Å; R205-E256 IonicContact NH2-OE2 2.74Å; W206-E256 WeakPolarHBondContact O-CA 3.32Å; Y240-E256 WeakPolarHBondContact CE2-OE2 3.13Å; Y240-E256 VanDerWaalsContact CZ-OE2 3.32Å; Y240-E256 PolarHBondContact OH-OE2 2.9Å; Q244-E256 PolarHBondContact NE2-OE1 3.1Å; P254-E256 HydrophobicContact CB-CG 4.24Å; P254-E256 HydrophobicContact CG-CG 4.21Å
257I98.9Very high98.5Very high0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-131.8127.2179.9-39.5-177.1000109.5V46 V71 R205 W206 L208 Q259 V265V46-I257 HydrophobicContact CB-CD1 4.22Å; V46-I257 HydrophobicContact CB-CG1 3.93Å; V46-I257 HydrophobicContact CG1-CB 4.11Å; V46-I257 HydrophobicContact CG1-CD1 3.94Å; V46-I257 HydrophobicContact CG1-CG1 3.62Å; V46-I257 HydrophobicContact CG1-CG2 3.75Å; V46-I257 HydrophobicContact CG2-CD1 4.12Å; V46-I257 HydrophobicContact CG2-CG1 4.37Å; V71-I257 HydrophobicContact CG2-CD1 4.17Å; V71-I257 HydrophobicContact CG2-CG2 3.7Å; R205-I257 CarbonylContact C-O 3.54Å; R205-I257 WeakPolarHBondContact CA-O 3.36Å; W206-I257 HydrophobicContact CB-CB 3.86Å; W206-I257 HydrophobicContact CB-CD1 4.37Å; W206-I257 HydrophobicContact CB-CG1 4.04Å; W206-I257 HydrophobicContact CG-CB 4.12Å; W206-I257 PolarHBondContact N-O 2.9Å; W206-I257 PolarHBondContact O-N 3.27Å; L208-I257 HydrophobicContact CD1-CD1 3.62Å; L208-I257 HydrophobicContact CD1-CG1 3.82Å; I257-Q259 HydrophobicContact CG2-CB 4.37Å; I257-V265 HydrophobicContact CD1-CG1 3.95Å; I257-V265 HydrophobicContact CD1-CG2 4.34Å
258L98.9Very high98.5Very high19 Ų1935.2 Ų35.210%0.09919%0.188CC..EExtended strand (participates in β ladder)trans-96.293.5157.317862.9000108.1P39 V42 D44 R48 H203 L278P39-L258 HydrophobicContact CB-CD1 4.13Å; P39-L258 HydrophobicContact CB-CD2 4.08Å; P39-L258 WeakPolarHBondContact O-CD2 3.36Å; V42-L258 HydrophobicContact CB-CB 4.22Å; V42-L258 HydrophobicContact CB-CD1 4.35Å; V42-L258 HydrophobicContact CB-CD2 4.49Å; V42-L258 HydrophobicContact CG1-CB 3.85Å; V42-L258 HydrophobicContact CG1-CD1 4.45Å; V42-L258 HydrophobicContact CG2-CD1 4.36Å; D44-L258 PolarHBondContact OD2-N 3.35Å; R48-L258 PolarHBondContact NH2-O 2.86Å; H203-L258 HydrophobicContact CB-CD1 4.31Å; L258-L278 HydrophobicContact CD1-CD1 3.63Å
259Q98.9Very high98.5Very high0 Ų034.2 Ų34.20%019%0.185CC..EExtended strand (participates in β ladder)trans-76.4129.5178.5-171.2-174.312.700110N197 L199 H203 K204 I257 E263 V265N197-Q259 PolarHBondContact O-NE2 3.38Å; L199-Q259 HydrophobicContact CB-CG 3.99Å; L199-Q259 VanDerWaalsContact CB-NE2 3.32Å; L199-Q259 HydrophobicContact CD2-CB 4.11Å; L199-Q259 HydrophobicContact CD2-CG 3.76Å; L199-Q259 WeakPolarHBondContact CD2-O 3.34Å; H203-Q259 WeakPolarHBondContact CA-O 3.38Å; K204-Q259 HydrophobicContact CB-CB 4.16Å; K204-Q259 PolarHBondContact N-O 2.97Å; K204-Q259 VanDerWaalsContact N-O 3.11Å; K204-Q259 PolarHBondContact O-N 3.28Å; I257-Q259 HydrophobicContact CG2-CB 4.37Å; Q259-E263 WeakPolarHBondContact CA-OE2 3.33Å; Q259-E263 HydrophobicContact CG-CB 4.03Å; Q259-E263 PolarHBondContact NE2-O 3.27Å; Q259-V265 HydrophobicContact CB-CG2 4.31Å; Q259-V265 HydrophobicContact CG-CG2 3.9Å
260K98.9Very high98.4Very high94 Ų9432.4 Ų32.441%0.40917%0.173SC..  trans-106.8164-177.4-63.7167.3-172.1162.10111.8G262 E263K260-G262 PolarHBondContact O-N 2.88Å; K260-E263 HydrophobicContact CB-CG 4.15Å; K260-E263 PolarHBondContact N-OE2 3.32Å; K260-E263 WeakPolarHBondContact O-CB 3.5Å; K260-E263 PolarHBondContact O-N 2.88Å; K260-E263 VanDerWaalsContact O-N 3.12Å
261P98.9Very high98.5Very high63 Ų6329.1 Ų29.141%0.40915%0.147SC..THydrogen-bonded Turntrans-54.9133.1173.6-24.333.7000111.8G202 E263G202-P261 WeakPolarHBondContact O-CD 3.25Å; G202-P261 VanDerWaalsContact O-CG 3.3Å; G202-P261 WeakPolarHBondContact O-CG 3.19Å; P261-E263 VanDerWaalsContact C-N 3.33Å
262G98.8Very high98.6Very high29 Ų2924 Ų2430%0.29912%0.122SC..THydrogen-bonded Turntrans88.9-13.4-177.900000114.8Q76 L199 K260Q76-G262 VanDerWaalsContact NE2-C 3.25Å; Q76-G262 PolarHBondContact NE2-O 3.07Å; L199-G262 PolarHBondContact O-N 3.09Å; K260-G262 PolarHBondContact O-N 2.88Å
263E98.9Very high98.6Very high14 Ų1422.8 Ų22.87%0.06512%0.116CC..  trans-82.9141.2177.9-63.6-173.3152.300111.8R48 V71 L73 Q76 L199 Q259 K260 P261R48-E263 IonicContact CZ-OE1 3.55Å; R48-E263 IonicContact NE-OE1 3.69Å; R48-E263 PolarHBondContact NE-OE1 3.49Å; R48-E263 IonicContact NH2-OE1 3.75Å; R48-E263 IonicContact NH2-OE2 2.86Å; V71-E263 HydrophobicContact CG1-CB 3.75Å; V71-E263 HydrophobicContact CG1-CG 4.04Å; L73-E263 HydrophobicContact CD2-CG 3.9Å; Q76-E263 PolarHBondContact NE2-O 2.74Å; L199-E263 PolarHBondContact N-O 3.38Å; L199-E263 VanDerWaalsContact N-O 3.09Å; Q259-E263 WeakPolarHBondContact CA-OE2 3.33Å; Q259-E263 HydrophobicContact CG-CB 4.03Å; Q259-E263 PolarHBondContact NE2-O 3.27Å; K260-E263 HydrophobicContact CB-CG 4.15Å; K260-E263 PolarHBondContact N-OE2 3.32Å; K260-E263 WeakPolarHBondContact O-CB 3.5Å; K260-E263 PolarHBondContact O-N 2.88Å; K260-E263 VanDerWaalsContact O-N 3.12Å; P261-E263 VanDerWaalsContact C-N 3.33Å
264T98.9Very high98.6Very high0 Ų016.6 Ų16.60%09%0.09CC..EExtended strand (participates in β ladder)trans-118.8114.2176.2-59.40000110.3L72 Q76 W196 N197 A198L72-T264 WeakPolarHBondContact CB-O 3.4Å; L72-T264 PolarHBondContact N-O 2.94Å; L72-T264 PolarHBondContact O-N 2.84Å; Q76-T264 PolarHBondContact NE2-OG1 2.97Å; W196-T264 HydrophobicContact CB-CG2 4.26Å; W196-T264 HydrophobicContact CE3-CG2 4.28Å; N197-T264 CarbonylContact O-C 3.58Å; N197-T264 WeakPolarHBondContact O-CA 3.45Å; A198-T264 HydrophobicContact CB-CG2 4.12Å
265V98.9Very high98.7Very high0 Ų017 Ų170%09%0.092CC..EExtended strand (participates in β ladder)trans-81.8130.8177.5179.10000109.5V71 W196 N197 W206 I257 Q259 V267V71-V265 HydrophobicContact CG2-CG2 4.19Å; W196-V265 CarbonylContact C-O 3.07Å; W196-V265 VanDerWaalsContact CA-O 3.26Å; W196-V265 WeakPolarHBondContact CA-O 3.47Å; N197-V265 PolarHBondContact N-O 3.32Å; N197-V265 PolarHBondContact O-N 2.87Å; W206-V265 HydrophobicContact CZ2-CG2 4.36Å; I257-V265 HydrophobicContact CD1-CG1 3.95Å; I257-V265 HydrophobicContact CD1-CG2 4.34Å; Q259-V265 HydrophobicContact CB-CG2 4.31Å; Q259-V265 HydrophobicContact CG-CG2 3.9Å; V265-V267 HydrophobicContact CG1-CG2 3.93Å
266F98.9Very high98.7Very high0 Ų014.7 Ų14.70%08%0.08CC..EExtended strand (participates in β ladder)trans-93.8125164.9168.4-120.5000109.9F59 E64 V70 F156 P268 F288F59-F266 HydrophobicContact CE2-CB 4.47Å; F59-F266 HydrophobicContact CE2-CD1 4.18Å; F59-F266 HydrophobicContact CE2-CG 4.25Å; F59-F266 HydrophobicContact CZ-CB 4.42Å; F59-F266 AromaticContact CZ-CD1 3.86Å; F59-F266 HydrophobicContact CZ-CD1 3.86Å; F59-F266 HydrophobicContact CZ-CD2 4.01Å; F59-F266 HydrophobicContact CZ-CE1 4.06Å; F59-F266 HydrophobicContact CZ-CE2 4.24Å; F59-F266 AromaticContact CZ-CG 3.82Å; F59-F266 HydrophobicContact CZ-CG 3.82Å; F59-F266 HydrophobicContact CZ-CZ 4.26Å; E64-F266 HydrophobicContact CB-CZ 4.28Å; E64-F266 HydrophobicContact CG-CZ 3.87Å; V70-F266 HydrophobicContact CG1-CB 4.06Å; V70-F266 HydrophobicContact CG1-CD1 4.18Å; V70-F266 PolarHBondContact O-N 3.13Å; F156-F266 AromaticContact CE1-CD2 3.84Å; F156-F266 HydrophobicContact CE1-CD2 3.84Å; F156-F266 HydrophobicContact CE1-CE2 4.39Å; F156-F266 HydrophobicContact CZ-CB 4.41Å; F156-F266 HydrophobicContact CZ-CD2 4.3Å; F266-P268 HydrophobicContact CD1-CG 4.16Å; F266-P268 HydrophobicContact CE1-CB 4.12Å; F266-P268 HydrophobicContact CE1-CG 3.63Å; F266-P268 HydrophobicContact CZ-CB 3.98Å; F266-P268 HydrophobicContact CZ-CG 3.98Å; F266-F288 HydrophobicContact CD2-CE1 4.48Å; F266-F288 HydrophobicContact CD2-CZ 4.35Å; F266-F288 HydrophobicContact CE2-CE1 4.26Å; F266-F288 AromaticContact CE2-CZ 3.83Å; F266-F288 HydrophobicContact CE2-CZ 3.83Å
267V98.8Very high98.7Very high3 Ų314.5 Ų14.52%0.0188%0.079CC..EExtended strand (participates in β ladder)trans-113104.9178.1-174.10000108.3S194 A195 W206 V265 W271S194-V267 CarbonylContact C-O 3.57Å; S194-V267 WeakPolarHBondContact CA-O 3.22Å; S194-V267 WeakPolarHBondContact CB-O 3.44Å; A195-V267 HydrophobicContact CB-CB 4.39Å; A195-V267 PolarHBondContact N-O 3.4Å; A195-V267 PolarHBondContact O-N 2.72Å; W206-V267 HydrophobicContact CZ3-CG2 4.04Å; V265-V267 HydrophobicContact CG1-CG2 3.93Å; V267-W271 HydrophobicContact CG1-CB 4.45Å
268P98.6Very high98.7Very high1 Ų115 Ų151%0.0068%0.082CC..  trans-67144.6176.3-9.422.1000111Y67 P69 F266 G270 W271Y67-P268 VanDerWaalsContact C-CG 3.46Å; Y67-P268 HydrophobicContact CD1-CB 3.73Å; Y67-P268 HydrophobicContact CG-CB 4.21Å; Y67-P268 WeakPolarHBondContact O-CG 3.25Å; P69-P268 HydrophobicContact CG-CG 4.03Å; F266-P268 HydrophobicContact CD1-CG 4.16Å; F266-P268 HydrophobicContact CE1-CB 4.12Å; F266-P268 HydrophobicContact CE1-CG 3.63Å; F266-P268 HydrophobicContact CZ-CB 3.98Å; F266-P268 HydrophobicContact CZ-CG 3.98Å; P268-G270 PolarHBondContact O-N 3.38Å; P268-W271 PolarHBondContact O-N 3.25Å
269G97.6Very high98.7Very high2 Ų216.4 Ų16.42%0.0219%0.089CC..THydrogen-bonded Turntrans-55.1137.617700000112.3Y67 T193 S194Y67-G269 VanDerWaalsContact CD1-O 3.26Å; Y67-G269 WeakPolarHBondContact CD1-O 3.45Å; Y67-G269 WeakPolarHBondContact CE1-O 3.26Å; T193-G269 VanDerWaalsContact O-CA 3.24Å; T193-G269 WeakPolarHBondContact O-CA 3.46Å; S194-G269 PolarHBondContact OG-N 3.22Å; S194-G269 VanDerWaalsContact OG-N 3.08Å
270G96.8Very high98.7Very high1 Ų118.9 Ų18.91%0.0111%0.105CC..THydrogen-bonded Turntrans96.5-17.3-178.200000115.8I188 T211 P268 W272 I338I188-G270 WeakPolarHBondContact CD1-O 3.13Å; T211-G270 WeakPolarHBondContact CA-O 3.48Å; T211-G270 WeakPolarHBondContact CB-O 3.45Å; T211-G270 PolarHBondContact OG1-O 2.85Å; P268-G270 PolarHBondContact O-N 3.38Å; G270-W272 PolarHBondContact O-N 3.02Å; G270-I338 VanDerWaalsContact CA-CG2 3.5Å
271W98.6Very high98.7Very high41 Ų4114.4 Ų14.416%0.1559%0.085CC..  trans-75.4125.6177.1-77.277.2000111.2Y67 P69 L208 F209 P210 L255 V267 P268 H273Y67-W271 PolarHBondContact O-NE1 2.76Å; P69-W271 VanDerWaalsContact CD-CZ2 3.43Å; P69-W271 HydrophobicContact CG-CD2 3.69Å; P69-W271 HydrophobicContact CG-CE3 3.91Å; P69-W271 HydrophobicContact CG-CG 4.26Å; P69-W271 HydrophobicContact CG-CH2 4.02Å; P69-W271 HydrophobicContact CG-CZ2 3.8Å; P69-W271 HydrophobicContact CG-CZ3 4.08Å; L208-W271 HydrophobicContact CB-CE3 3.89Å; L208-W271 HydrophobicContact CB-CZ3 4.35Å; F209-W271 VanDerWaalsContact C-CE3 3.4Å; F209-W271 WeakPolarHBondContact O-CA 3.21Å; P210-W271 HydrophobicContact CB-CH2 4.45Å; L255-W271 HydrophobicContact CD1-CH2 3.57Å; L255-W271 HydrophobicContact CD1-CZ3 3.53Å; L255-W271 HydrophobicContact CG-CH2 4.47Å; L255-W271 HydrophobicContact CG-CZ3 4.2Å; V267-W271 HydrophobicContact CG1-CB 4.45Å; P268-W271 PolarHBondContact O-N 3.25Å; W271-H273 PolarHBondContact O-ND1 3.29Å; W271-H273 VanDerWaalsContact O-ND1 3.1Å
272W98.8Very high98.7Very high21 Ų2111.6 Ų11.68%0.087%0.066CC..EExtended strand (participates in β ladder)trans-65.1134.4165.4-68.699.7000108.5I186 H187 I188 L208 F209 R215 I218 G270I186-W272 HydrophobicContact CD1-CB 4.17Å; I186-W272 HydrophobicContact CG1-CB 4.11Å; I186-W272 HydrophobicContact CG1-CE3 4.13Å; H187-W272 CarbonylContact O-C 3.49Å; H187-W272 WeakPolarHBondContact O-CA 3.29Å; I188-W272 HydrophobicContact CD1-CD2 3.76Å; I188-W272 HydrophobicContact CD1-CE3 4.25Å; I188-W272 HydrophobicContact CD1-CG 4.13Å; I188-W272 HydrophobicContact CD1-CH2 4.3Å; I188-W272 HydrophobicContact CD1-CZ2 3.84Å; I188-W272 HydrophobicContact CD1-CZ3 4.49Å; I188-W272 HydrophobicContact CG1-CB 4.49Å; I188-W272 HydrophobicContact CG1-CD2 3.57Å; I188-W272 HydrophobicContact CG1-CE3 3.7Å; I188-W272 HydrophobicContact CG1-CG 3.92Å; I188-W272 HydrophobicContact CG1-CH2 4.42Å; I188-W272 HydrophobicContact CG1-CZ2 4.34Å; I188-W272 HydrophobicContact CG1-CZ3 4.13Å; L208-W272 CarbonylContact C-O 3.49Å; L208-W272 WeakPolarHBondContact CA-O 3.44Å; F209-W272 HydrophobicContact CB-CB 4.08Å; F209-W272 PolarHBondContact N-O 3.48Å; F209-W272 PolarHBondContact O-N 3.31Å; R215-W272 HydrophobicContact CB-CZ2 4.5Å; R215-W272 HydrophobicContact CG-CH2 4.37Å; R215-W272 HydrophobicContact CG-CZ2 4.48Å; I218-W272 HydrophobicContact CD1-CB 3.99Å; I218-W272 HydrophobicContact CD1-CD2 3.66Å; I218-W272 HydrophobicContact CD1-CE3 4.35Å; I218-W272 HydrophobicContact CD1-CG 3.48Å; I218-W272 VanDerWaalsContact CD1-CG 3.48Å; G270-W272 PolarHBondContact O-N 3.02Å
273H98.8Very high98.7Very high9 Ų910.2 Ų10.24%0.0425%0.052CC..EExtended strand (participates in β ladder)trans-147141.4176.659.6-81000112.1I186 H187 D189 W206 C207 L208 W271I186-H273 WeakPolarHBondContact CA-O 3.36Å; H187-H273 AromaticContact CD2-CE1 3.98Å; H187-H273 AromaticContact CD2-NE2 3.92Å; H187-H273 AromaticContact CE1-CD2 3.49Å; H187-H273 PolarHBondContact CE1-CD2 2.81Å; H187-H273 VanDerWaalsContact CE1-CD2 3.49Å; H187-H273 AromaticContact CE1-CE1 3.87Å; H187-H273 AromaticContact CE1-NE2 3.15Å; H187-H273 PolarHBondContact CE1-NE2 2.69Å; H187-H273 PolarHBondContact N-O 3.3Å; H187-H273 VanDerWaalsContact N-O 3.11Å; H187-H273 AromaticContact ND1-NE2 3.98Å; H187-H273 PolarHBondContact ND1-O 2.54Å; H187-H273 AromaticContact NE2-CD2 3.96Å; H187-H273 AromaticContact NE2-CE1 3.64Å; H187-H273 AromaticContact NE2-NE2 3.14Å; H187-H273 PolarHBondContact NE2-NE2 2.51Å; H187-H273 VanDerWaalsContact NE2-NE2 3.14Å; H187-H273 PolarHBondContact O-N 3.07Å; H187-H273 PolarHBondContact O-ND1 2.91Å; D189-H273 IonicContact OD2-CE1 3.69Å; D189-H273 PolarHBondContact OD2-CE1 2.85Å; D189-H273 IonicContact OD2-NE2 3.88Å; W206-H273 HydrophobicContact CE3-CB 4.47Å; W206-H273 AromaticContact CZ3-CD2 3.97Å; C207-H273 WeakPolarHBondContact O-CA 3.15Å; L208-H273 HydrophobicContact CD2-CB 4.22Å; L208-H273 HydrophobicContact CG-CB 4.02Å; W271-H273 PolarHBondContact O-ND1 3.29Å; W271-H273 VanDerWaalsContact O-ND1 3.1Å
274V98.8Very high98.7Very high0 Ų09.5 Ų9.50%05%0.049CC..EExtended strand (participates in β ladder)trans-128.8139177.358.10000108.9T184 I186 W206 C207 A232 W235 F236T184-V274 WeakPolarHBondContact O-CG2 3.35Å; I186-V274 HydrophobicContact CB-CB 3.92Å; I186-V274 HydrophobicContact CG1-CB 4.21Å; W206-V274 WeakPolarHBondContact CA-O 3.07Å; C207-V274 HydrophobicContact CB-CG1 3.74Å; C207-V274 PolarHBondContact N-O 3.45Å; C207-V274 PolarHBondContact O-N 3.37Å; C207-V274 VanDerWaalsContact O-N 3.08Å; A232-V274 HydrophobicContact CB-CG2 4.13Å; W235-V274 HydrophobicContact CB-CG2 4.2Å; W235-V274 HydrophobicContact CD2-CB 4.38Å; W235-V274 HydrophobicContact CD2-CG1 3.86Å; W235-V274 HydrophobicContact CD2-CG2 4.17Å; W235-V274 HydrophobicContact CE3-CB 4.39Å; W235-V274 HydrophobicContact CE3-CG1 3.54Å; W235-V274 HydrophobicContact CE3-CG2 4.15Å; W235-V274 HydrophobicContact CG-CG2 4.18Å; W235-V274 HydrophobicContact CH2-CG1 4Å; W235-V274 HydrophobicContact CZ2-CG1 4.27Å; W235-V274 HydrophobicContact CZ3-CG1 3.61Å; F236-V274 HydrophobicContact CD2-CG2 4.4Å; F236-V274 HydrophobicContact CE2-CG1 4.2Å; F236-V274 HydrophobicContact CE2-CG2 3.96Å; F236-V274 HydrophobicContact CZ-CG1 4.18Å
275V98.9Very high98.7Very high8 Ų810.1 Ų10.15%0.0485%0.053CC..EExtended strand (participates in β ladder)trans-133.1124.4-172.1-167.40000110.7G183 T184 K204 R205 W206 A232G183-V275 CarbonylContact C-O 3.53Å; G183-V275 WeakPolarHBondContact CA-O 3.37Å; T184-V275 PolarHBondContact N-O 3.34Å; T184-V275 PolarHBondContact O-N 2.85Å; K204-V275 HydrophobicContact CB-CG1 3.98Å; K204-V275 HydrophobicContact CD-CG1 4.05Å; K204-V275 HydrophobicContact CG-CG1 4.2Å; R205-V275 WeakPolarHBondContact O-CA 3.45Å; W206-V275 HydrophobicContact CD2-CB 4.45Å; W206-V275 HydrophobicContact CD2-CG1 4.13Å; W206-V275 HydrophobicContact CD2-CG2 3.67Å; W206-V275 HydrophobicContact CE3-CG2 3.36Å; W206-V275 HydrophobicContact CH2-CG1 4.44Å; W206-V275 HydrophobicContact CH2-CG2 3.56Å; W206-V275 HydrophobicContact CZ2-CG1 3.92Å; W206-V275 HydrophobicContact CZ2-CG2 3.87Å; W206-V275 HydrophobicContact CZ3-CG2 3.3Å; A232-V275 VanDerWaalsContact CB-O 3.25Å; A232-V275 WeakPolarHBondContact CB-O 3.26Å
276L98.9Very high98.7Very high0 Ų010.6 Ų10.60%06%0.055CC..EExtended strand (participates in β ladder)trans-115.5131.3174.4-174.169.3000110.7F35 L37 R181 K204 R205 A232 I233 F236 L278F35-L276 HydrophobicContact CE1-CD2 3.83Å; F35-L276 HydrophobicContact CZ-CD2 4.35Å; L37-L276 HydrophobicContact CD2-CD2 3.92Å; R181-L276 WeakPolarHBondContact O-CD1 3.3Å; K204-L276 WeakPolarHBondContact CA-O 3.25Å; R205-L276 HydrophobicContact CB-CB 4.5Å; R205-L276 PolarHBondContact N-O 2.96Å; R205-L276 PolarHBondContact O-N 2.93Å; A232-L276 HydrophobicContact CB-CD1 4.17Å; I233-L276 HydrophobicContact CB-CD1 3.98Å; F236-L276 HydrophobicContact CB-CD2 4.46Å; F236-L276 HydrophobicContact CD2-CB 3.65Å; F236-L276 HydrophobicContact CD2-CD2 3.94Å; F236-L276 HydrophobicContact CD2-CG 4.31Å; F236-L276 HydrophobicContact CE2-CB 3.46Å; F236-L276 VanDerWaalsContact CE2-CB 3.46Å; F236-L276 HydrophobicContact CE2-CD2 4.49Å; F236-L276 HydrophobicContact CG-CD2 4.27Å; F236-L276 HydrophobicContact CZ-CB 4.34Å; L276-L278 HydrophobicContact CD2-CD2 4.34Å
277N98.9Very high98.7Very high0 Ų011.2 Ų11.20%06%0.058CC..EExtended strand (participates in β ladder)trans-81.9119.8172.9-58.5-41.3000109.3Y131 P180 R181 S182 K204 T281Y131-N277 WeakPolarHBondContact CE2-ND2 3.33Å; Y131-N277 PolarHBondContact OH-ND2 3.24Å; Y131-N277 PolarHBondContact OH-OD1 2.67Å; P180-N277 WeakPolarHBondContact CA-O 3.36Å; R181-N277 PolarHBondContact N-O 3.26Å; S182-N277 VanDerWaalsContact O-CB 3.26Å; S182-N277 WeakPolarHBondContact O-CB 3.36Å; S182-N277 VanDerWaalsContact O-CG 3.31Å; S182-N277 PolarHBondContact O-N 2.91Å; S182-N277 PolarHBondContact O-ND2 3.31Å; S182-N277 VanDerWaalsContact O-ND2 3.07Å; S182-N277 PolarHBondContact OG-ND2 3.48Å; K204-N277 PolarHBondContact NZ-OD1 2.91Å; N277-T281 HydrophobicContact CB-CG2 3.82Å; N277-T281 PolarHBondContact ND2-OG1 3.3Å; N277-T281 PolarHBondContact OD1-OG1 3.09Å
278L98.9Very high98.7Very high11 Ų1111.2 Ų11.26%0.0586%0.058CC..SBendtrans-82.8-26.6-178.8-57.3-175.6000112.1L37 P39 V42 H203 R205 L258 L276L37-L278 HydrophobicContact CB-CD2 4.43Å; L37-L278 HydrophobicContact CD2-CD2 4.04Å; P39-L278 HydrophobicContact CB-CD1 4.26Å; P39-L278 HydrophobicContact CG-CD1 4.18Å; V42-L278 HydrophobicContact CG2-CD1 4.07Å; H203-L278 HydrophobicContact CB-CB 4.32Å; H203-L278 HydrophobicContact CB-CD1 4.32Å; H203-L278 PolarHBondContact O-N 2.6Å; R205-L278 HydrophobicContact CB-CD1 4.24Å; R205-L278 HydrophobicContact CB-CD2 3.88Å; R205-L278 HydrophobicContact CB-CG 4.14Å; L258-L278 HydrophobicContact CD1-CD1 3.63Å; L276-L278 HydrophobicContact CD2-CD2 4.34Å
279D98.8Very high98.7Very high48 Ų4811.2 Ų11.226%0.2576%0.058SC..SBendtrans-142.8-161.3177.659.219.4000110.7P179 G202 H203 T281P179-D279 CarbonylContact C-O 3.58Å; G202-D279 WeakPolarHBondContact CA-OD1 3.2Å; H203-D279 IonicContact CE1-OD2 3.71Å; H203-D279 IonicContact CG-OD2 2.72Å; H203-D279 PolarHBondContact N-OD1 2.65Å; H203-D279 IonicContact ND1-OD2 2.76Å; H203-D279 PolarHBondContact ND1-OD2 2.92Å; D279-T281 PolarHBondContact O-N 3.06Å
280T98.9Very high98.7Very high52 Ų5211.2 Ų11.232%0.3196%0.058SC..  trans-72.2110.7174.3-64.10000109.8L87 G178L87-T280 HydrophobicContact CD1-CG2 4.26Å; L87-T280 HydrophobicContact CD2-CG2 3.89Å; L87-T280 HydrophobicContact CG-CG2 4.32Å; G178-T280 WeakPolarHBondContact O-CA 3.44Å
281T98.9Very high98.7Very high0 Ų013.9 Ų13.90%08%0.076CC..EExtended strand (participates in β ladder)trans-105.9143.3-177.662.30000112.5M177 G178 L199 Q201 H203 K204 N277 D279M177-T281 WeakPolarHBondContact CA-O 3.43Å; G178-T281 PolarHBondContact N-O 2.96Å; G178-T281 VanDerWaalsContact N-O 3.09Å; G178-T281 PolarHBondContact O-N 2.93Å; L199-T281 HydrophobicContact CD1-CG2 4.39Å; Q201-T281 VanDerWaalsContact O-CA 3.25Å; Q201-T281 WeakPolarHBondContact O-CA 3.41Å; H203-T281 WeakPolarHBondContact O-CG2 3.42Å; K204-T281 HydrophobicContact CG-CG2 4.02Å; N277-T281 HydrophobicContact CB-CG2 3.82Å; N277-T281 PolarHBondContact ND2-OG1 3.3Å; N277-T281 PolarHBondContact OD1-OG1 3.09Å; D279-T281 PolarHBondContact O-N 3.06Å
282I98.9Very high98.7Very high3 Ų313.3 Ų13.32%0.0158%0.077CC..EExtended strand (participates in β ladder)trans-133.4122168.4-53.1168000107.9W85 L90 F175 M177 V200 Q201W85-I282 HydrophobicContact CB-CG2 4.18Å; W85-I282 HydrophobicContact CD2-CG2 4.3Å; W85-I282 HydrophobicContact CE3-CG2 3.73Å; W85-I282 WeakPolarHBondContact O-CD1 3.23Å; L90-I282 HydrophobicContact CD1-CD1 3.84Å; F175-I282 HydrophobicContact CE2-CG2 3.79Å; F175-I282 HydrophobicContact CZ-CG2 3.88Å; M177-I282 HydrophobicContact CE-CD1 4Å; M177-I282 HydrophobicContact CE-CG1 4.11Å; M177-I282 HydrophobicContact CG-CG1 4.11Å; V200-I282 PolarHBondContact N-O 2.86Å; Q201-I282 HydrophobicContact CB-CB 4.12Å; Q201-I282 HydrophobicContact CB-CD1 4.33Å; Q201-I282 HydrophobicContact CB-CG1 4.3Å; Q201-I282 HydrophobicContact CG-CB 4.39Å; Q201-I282 HydrophobicContact CG-CD1 4.18Å; Q201-I282 PolarHBondContact N-O 3.04Å; Q201-I282 VanDerWaalsContact N-O 3.11Å; Q201-I282 PolarHBondContact O-N 3.12Å
283A98.9Very high98.6Very high0 Ų012.3 Ų12.30%07%0.074CC..EExtended strand (participates in β ladder)trans-143.9163.9-17500000111.5V176 A198 L199V176-A283 PolarHBondContact N-O 3.35Å; V176-A283 PolarHBondContact O-N 2.87Å; A198-A283 VanDerWaalsContact O-CA 3.26Å; A198-A283 WeakPolarHBondContact O-CA 2.99Å; A198-A283 WeakPolarHBondContact O-CB 3.27Å; L199-A283 HydrophobicContact CD1-CB 4.05Å
284I98.9Very high98.6Very high0 Ų011.9 Ų11.90%07%0.072CC..EExtended strand (participates in β ladder)trans-126.5135.2167.3-171.279.8000108.3W79 W85 Y137 Y150 W174 F175 W196 A198W79-I284 HydrophobicContact CH2-CG2 3.81Å; W79-I284 HydrophobicContact CZ3-CG2 3.66Å; W85-I284 HydrophobicContact CH2-CB 4Å; W85-I284 HydrophobicContact CH2-CG2 4.27Å; W85-I284 HydrophobicContact CZ3-CB 4.13Å; W85-I284 HydrophobicContact CZ3-CG2 4.33Å; Y137-I284 HydrophobicContact CE1-CD1 4.19Å; Y137-I284 HydrophobicContact CE2-CD1 4.5Å; Y137-I284 WeakPolarHBondContact OH-CD1 3.43Å; Y150-I284 HydrophobicContact CD1-CG1 4.5Å; Y150-I284 HydrophobicContact CD2-CG2 4.4Å; Y150-I284 HydrophobicContact CE1-CD1 4.03Å; Y150-I284 HydrophobicContact CE1-CG1 4.02Å; Y150-I284 HydrophobicContact CE2-CG1 4.18Å; Y150-I284 HydrophobicContact CG-CG2 4.43Å; W174-I284 WeakPolarHBondContact O-CD1 3.46Å; F175-I284 HydrophobicContact CB-CD1 4.32Å; W196-I284 HydrophobicContact CH2-CG2 4.33Å; W196-I284 HydrophobicContact CZ3-CG2 3.96Å; A198-I284 HydrophobicContact CB-CG2 3.97Å; A198-I284 PolarHBondContact N-O 3.05Å; A198-I284 PolarHBondContact O-N 3.14Å
285T98.9Very high98.5Very high13 Ų1313.8 Ų13.88%0.088%0.084CC..EExtended strand (participates in β ladder)trans-133.3144.5178.9-167.10000110F133 R173 W174 V176 W196 N197F133-T285 HydrophobicContact CZ-CG2 4.32Å; R173-T285 CarbonylContact C-O 3.49Å; R173-T285 WeakPolarHBondContact CA-O 3.4Å; W174-T285 HydrophobicContact CB-CG2 4.07Å; W174-T285 HydrophobicContact CE3-CG2 4.15Å; W174-T285 PolarHBondContact N-O 2.8Å; W174-T285 PolarHBondContact O-N 3.21Å; W174-T285 VanDerWaalsContact O-N 3.14Å; V176-T285 HydrophobicContact CG2-CG2 3.91Å; W196-T285 WeakPolarHBondContact O-CA 3.36Å; W196-T285 PolarHBondContact O-OG1 2.74Å; N197-T285 PolarHBondContact ND2-OG1 2.86Å
286Q98.8Very high98.4Very high10 Ų1014.1 Ų14.15%0.0479%0.086CC..EExtended strand (participates in β ladder)trans-138.4142.2173.8-50.7-167.57.400112Y150 Y172 R173 A195 W196Y150-Q286 PolarHBondContact OH-NE2 3.23Å; Y172-Q286 CarbonylContact O-C 3.58Å; Y172-Q286 WeakPolarHBondContact O-CA 3.07Å; Y172-Q286 VanDerWaalsContact O-CB 3.27Å; Y172-Q286 WeakPolarHBondContact O-CB 3.1Å; R173-Q286 HydrophobicContact CB-CB 4.29Å; R173-Q286 HydrophobicContact CB-CG 3.5Å; A195-Q286 VanDerWaalsContact CA-O 3.23Å; A195-Q286 WeakPolarHBondContact CA-O 3.38Å; W196-Q286 HydrophobicContact CD2-CB 4.48Å; W196-Q286 HydrophobicContact CH2-CG 3.8Å; W196-Q286 HydrophobicContact CZ2-CB 3.73Å; W196-Q286 HydrophobicContact CZ2-CG 3.32Å; W196-Q286 PolarHBondContact N-O 2.89Å; W196-Q286 PolarHBondContact O-N 3.43Å
287N98.7Very high98.4Very high13 Ų1314.1 Ų14.17%0.079%0.086CC..EExtended strand (participates in β ladder)trans-93.4140.4169-67.832.9000108.2Y172 W174 D189 T193 S194Y172-N287 PolarHBondContact O-N 2.92Å; W174-N287 HydrophobicContact CH2-CB 4.5Å; W174-N287 HydrophobicContact CZ3-CB 4.22Å; W174-N287 WeakPolarHBondContact CZ3-OD1 3.4Å; D189-N287 PolarHBondContact OD1-ND2 2.81Å; T193-N287 PolarHBondContact OG1-ND2 3.24Å; T193-N287 VanDerWaalsContact OG1-ND2 3.13Å; S194-N287 CarbonylContact O-C 3.15Å; S194-N287 VanDerWaalsContact O-CA 3.26Å; S194-N287 WeakPolarHBondContact O-CA 3.49Å
288F98.8Very high98.3Very high3 Ų315.1 Ų15.11%0.0139%0.09CC..EExtended strand (participates in β ladder)trans-139.7149.9-177.868.6-80.9000111.4E64 F156 S194 W196 F266 N293E64-F288 WeakPolarHBondContact OE1-CE2 3.41Å; F156-F288 HydrophobicContact CB-CD1 4.44Å; F156-F288 HydrophobicContact CD1-CD1 4.27Å; F156-F288 AromaticContact CD1-CE1 3.53Å; F156-F288 HydrophobicContact CD1-CE1 3.53Å; F156-F288 AromaticContact CD1-CE2 3.95Å; F156-F288 HydrophobicContact CD1-CE2 3.95Å; F156-F288 AromaticContact CD1-CZ 3.34Å; F156-F288 HydrophobicContact CD1-CZ 3.34Å; F156-F288 HydrophobicContact CE1-CE1 4.01Å; F156-F288 AromaticContact CE1-CZ 3.81Å; F156-F288 HydrophobicContact CE1-CZ 3.81Å; F156-F288 HydrophobicContact CG-CE1 4.22Å; F156-F288 HydrophobicContact CG-CZ 4.34Å; S194-F288 PolarHBondContact N-O 3.15Å; S194-F288 WeakPolarHBondContact O-CD1 3.48Å; S194-F288 PolarHBondContact O-N 3.21Å; W196-F288 AromaticContact CD1-CD1 3.78Å; W196-F288 AromaticContact CD1-CE1 3.98Å; F266-F288 HydrophobicContact CD2-CE1 4.48Å; F266-F288 HydrophobicContact CD2-CZ 4.35Å; F266-F288 HydrophobicContact CE2-CE1 4.26Å; F266-F288 AromaticContact CE2-CZ 3.83Å; F266-F288 HydrophobicContact CE2-CZ 3.83Å; F288-N293 PolarHBondContact O-ND2 3.38Å; F288-N293 VanDerWaalsContact O-ND2 3.13Å
289A98.6Very high98.2Very high0 Ų015.2 Ų15.20%09%0.09CC..  trans-102.4129.716300000107.4D159 L160 F161 N293 V297 W312D159-A289 PolarHBondContact N-O 3.3Å; L160-A289 HydrophobicContact CB-CB 3.98Å; L160-A289 WeakPolarHBondContact CG-O 3.47Å; L160-A289 PolarHBondContact N-O 2.93Å; F161-A289 HydrophobicContact CD2-CB 3.94Å; F161-A289 HydrophobicContact CE2-CB 4.21Å; A289-N293 VanDerWaalsContact CA-OD1 3.28Å; A289-N293 WeakPolarHBondContact CA-OD1 3.18Å; A289-V297 HydrophobicContact CB-CB 4.48Å; A289-V297 HydrophobicContact CB-CG1 4.06Å; A289-V297 HydrophobicContact CB-CG2 4.27Å; A289-W312 HydrophobicContact CB-CH2 4.38Å; A289-W312 HydrophobicContact CB-CZ2 4.49Å
290S98.3Very high98Very high3 Ų314.8 Ų14.82%0.0219%0.086CC..  trans-120.1169.8176.760.90000109.6E64 L160 T292 N293 F294E64-S290 WeakPolarHBondContact OE1-CB 3.35Å; E64-S290 PolarHBondContact OE1-OG 2.99Å; L160-S290 VanDerWaalsContact CD1-C 3.47Å; S290-T292 PolarHBondContact O-N 3.29Å; S290-T292 PolarHBondContact OG-N 3.02Å; S290-N293 PolarHBondContact N-OD1 3.45Å; S290-N293 PolarHBondContact O-N 3.34Å; S290-N293 PolarHBondContact O-OD1 3.34Å; S290-N293 PolarHBondContact OG-N 2.89Å; S290-F294 VanDerWaalsContact O-CB 3.23Å; S290-F294 WeakPolarHBondContact O-CB 3.34Å; S290-F294 PolarHBondContact O-N 3.35Å
291S96.9Very high97.9Very high57 Ų5712.3 Ų12.340%0.3997%0.07SC..THydrogen-bonded Turntrans-50.9-39.6170.952.10000113D158D158-S291 PolarHBondContact OD2-N 3.02Å
292T97.7Very high97.7Very high29 Ų2913.7 Ų13.718%0.1788%0.079CC..THydrogen-bonded Turntrans-64-51.2-179.9-57.60000113E64 R65 S290E64-T292 HydrophobicContact CB-CG2 4.45Å; E64-T292 HydrophobicContact CG-CG2 3.98Å; E64-T292 WeakPolarHBondContact OE2-CB 3.28Å; E64-T292 PolarHBondContact OE2-OG1 3.33Å; R65-T292 HydrophobicContact CB-CG2 4.3Å; S290-T292 PolarHBondContact O-N 3.29Å; S290-T292 PolarHBondContact OG-N 3.02Å
293N97.9Very high97.4Very high0 Ų019 Ų190%010%0.099CC..THydrogen-bonded Turntrans-90.3-4.9-175.57314.1000113.6S194 F288 A289 S290 P295 V296 V297S194-N293 PolarHBondContact N-ND2 2.86Å; S194-N293 PolarHBondContact OG-ND2 2.91Å; F288-N293 PolarHBondContact O-ND2 3.38Å; F288-N293 VanDerWaalsContact O-ND2 3.13Å; A289-N293 VanDerWaalsContact CA-OD1 3.28Å; A289-N293 WeakPolarHBondContact CA-OD1 3.18Å; S290-N293 PolarHBondContact N-OD1 3.45Å; S290-N293 PolarHBondContact O-N 3.34Å; S290-N293 PolarHBondContact O-OD1 3.34Å; S290-N293 PolarHBondContact OG-N 2.89Å; N293-P295 VanDerWaalsContact C-CD 3.43Å; N293-P295 VanDerWaalsContact C-N 3.35Å; N293-V296 PolarHBondContact O-N 2.92Å; N293-V296 VanDerWaalsContact O-N 3.11Å; N293-V297 HydrophobicContact CB-CG2 4.43Å; N293-V297 WeakPolarHBondContact O-CG2 3.16Å; N293-V297 PolarHBondContact O-N 3.44Å
294F98.1Very high97.1Very high0 Ų021.7 Ų21.70%013%0.127CC..Hα-helixtrans-52.1-41.5-177-177.5-103.3000114.2L160 S290 V296 V297 W298 W312 L316 L323 L326 A327L160-F294 HydrophobicContact CD1-CB 4.06Å; L160-F294 HydrophobicContact CD1-CD2 3.73Å; L160-F294 HydrophobicContact CD1-CG 4.15Å; S290-F294 VanDerWaalsContact O-CB 3.23Å; S290-F294 WeakPolarHBondContact O-CB 3.34Å; S290-F294 PolarHBondContact O-N 3.35Å; F294-V296 VanDerWaalsContact C-N 3.32Å; F294-V296 PolarHBondContact O-N 3.45Å; F294-V297 PolarHBondContact O-N 2.94Å; F294-W298 HydrophobicContact CE1-CB 4.22Å; F294-W298 HydrophobicContact CE2-CB 4.4Å; F294-W298 HydrophobicContact CZ-CB 4.14Å; F294-W298 HydrophobicContact CZ-CD2 4.43Å; F294-W298 HydrophobicContact CZ-CE3 4.29Å; F294-W298 HydrophobicContact CZ-CG 4.38Å; F294-W298 WeakPolarHBondContact O-CB 3.31Å; F294-W298 PolarHBondContact O-N 3.1Å; F294-W312 AromaticContact CD2-CH2 3.88Å; F294-W312 HydrophobicContact CD2-CH2 3.88Å; F294-W312 HydrophobicContact CD2-CZ2 4.03Å; F294-W312 AromaticContact CE2-CH2 3.61Å; F294-W312 HydrophobicContact CE2-CH2 3.61Å; F294-W312 AromaticContact CE2-CZ2 3.65Å; F294-W312 HydrophobicContact CE2-CZ2 3.65Å; F294-W312 HydrophobicContact CE2-CZ3 4.2Å; F294-L316 HydrophobicContact CE1-CD2 4.28Å; F294-L316 HydrophobicContact CE2-CD2 3.59Å; F294-L316 HydrophobicContact CZ-CD2 3.35Å; F294-L323 HydrophobicContact CE1-CB 4.5Å; F294-L323 WeakPolarHBondContact CE1-O 3.34Å; F294-L326 HydrophobicContact CB-CD2 4.5Å; F294-L326 HydrophobicContact CD1-CB 4.4Å; F294-L326 HydrophobicContact CD1-CD2 3.86Å; F294-L326 HydrophobicContact CD1-CG 4.14Å; F294-A327 HydrophobicContact CE1-CB 3.79Å; F294-A327 HydrophobicContact CZ-CB 4.04Å
295P97.1Very high96.9Very high40 Ų4026 Ų2626%0.2614%0.143SC..Hα-helixtrans-56.2-45.2177.9-27.536.5000113.1N293 H299 L326 V330N293-P295 VanDerWaalsContact C-CD 3.43Å; N293-P295 VanDerWaalsContact C-N 3.35Å; P295-H299 VanDerWaalsContact O-CB 3.25Å; P295-H299 WeakPolarHBondContact O-CB 3.43Å; P295-H299 PolarHBondContact O-N 3.29Å; P295-H299 VanDerWaalsContact O-N 3.08Å; P295-L326 HydrophobicContact CG-CD1 4.19Å; P295-L326 HydrophobicContact CG-CD2 3.95Å; P295-L326 HydrophobicContact CG-CG 4.14Å; P295-V330 HydrophobicContact CB-CG2 3.93Å
296V97Very high96.7Very high15 Ų1528.3 Ų28.39%0.09116%0.158CC..Hα-helixtrans-70.5-44.2179.2-179.50000110.9N293 F294 H299 K300 T336 I338N293-V296 PolarHBondContact O-N 2.92Å; N293-V296 VanDerWaalsContact O-N 3.11Å; F294-V296 VanDerWaalsContact C-N 3.32Å; F294-V296 PolarHBondContact O-N 3.45Å; V296-H299 PolarHBondContact O-N 3.03Å; V296-K300 HydrophobicContact CG1-CD 4.07Å; V296-K300 WeakPolarHBondContact O-CG 3.32Å; V296-K300 PolarHBondContact O-N 3.24Å; V296-T336 HydrophobicContact CB-CG2 4.43Å; V296-T336 HydrophobicContact CG1-CG2 4.31Å; V296-T336 HydrophobicContact CG2-CG2 4.27Å; V296-I338 HydrophobicContact CG1-CB 3.82Å; V296-I338 HydrophobicContact CG1-CG1 4.22Å; V296-I338 HydrophobicContact CG1-CG2 3.92Å; V296-I338 HydrophobicContact CG2-CG1 4.05Å
297V97.6Very high96.6Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-63.1-44.5179.91760000111.1F161 L191 G192 T193 A289 N293 F294 T301 W312F161-V297 HydrophobicContact CE2-CG1 3.57Å; F161-V297 HydrophobicContact CZ-CG1 3.57Å; L191-V297 VanDerWaalsContact O-CA 3.31Å; L191-V297 WeakPolarHBondContact O-CA 3.37Å; G192-V297 WeakPolarHBondContact O-CG2 3.3Å; T193-V297 HydrophobicContact CG2-CG2 4.28Å; A289-V297 HydrophobicContact CB-CB 4.48Å; A289-V297 HydrophobicContact CB-CG1 4.06Å; A289-V297 HydrophobicContact CB-CG2 4.27Å; N293-V297 HydrophobicContact CB-CG2 4.43Å; N293-V297 WeakPolarHBondContact O-CG2 3.16Å; N293-V297 PolarHBondContact O-N 3.44Å; F294-V297 PolarHBondContact O-N 2.94Å; V297-T301 WeakPolarHBondContact O-CB 3.34Å; V297-T301 PolarHBondContact O-N 2.95Å; V297-T301 PolarHBondContact O-OG1 3.04Å; V297-W312 HydrophobicContact CG1-CH2 3.73Å; V297-W312 HydrophobicContact CG1-CZ3 4.01Å
298W97.7Very high96.5Very high21 Ų2136.1 Ų36.18%0.0819%0.192CC..Hα-helixtrans-59.8-54176.8175.6-113.1000110.8F294 K300 T301 V302 W312 Y313 A327F294-W298 HydrophobicContact CE1-CB 4.22Å; F294-W298 HydrophobicContact CE2-CB 4.4Å; F294-W298 HydrophobicContact CZ-CB 4.14Å; F294-W298 HydrophobicContact CZ-CD2 4.43Å; F294-W298 HydrophobicContact CZ-CE3 4.29Å; F294-W298 HydrophobicContact CZ-CG 4.38Å; F294-W298 WeakPolarHBondContact O-CB 3.31Å; F294-W298 PolarHBondContact O-N 3.1Å; W298-K300 VanDerWaalsContact C-N 3.33Å; W298-K300 PolarHBondContact O-N 2.96Å; W298-T301 PolarHBondContact O-N 2.99Å; W298-T301 VanDerWaalsContact O-N 3.12Å; W298-V302 HydrophobicContact CD2-CG2 3.76Å; W298-V302 VanDerWaalsContact CE2-CG2 3.42Å; W298-V302 HydrophobicContact CE3-CG2 4.13Å; W298-V302 HydrophobicContact CG-CG2 4.35Å; W298-V302 HydrophobicContact CH2-CG2 3.81Å; W298-V302 HydrophobicContact CZ2-CG2 3.47Å; W298-V302 VanDerWaalsContact CZ2-CG2 3.47Å; W298-V302 HydrophobicContact CZ3-CG2 4.16Å; W298-V302 VanDerWaalsContact O-CG2 3.31Å; W298-V302 WeakPolarHBondContact O-CG2 2.99Å; W298-V302 PolarHBondContact O-N 2.81Å; W298-W312 HydrophobicContact CE3-CE3 4.08Å; W298-W312 HydrophobicContact CE3-CZ3 4.26Å; W298-W312 HydrophobicContact CZ3-CE3 4.28Å; W298-Y313 AromaticContact CH2-CD2 3.91Å; W298-Y313 HydrophobicContact CH2-CD2 3.91Å; W298-Y313 HydrophobicContact CH2-CG 4.06Å; W298-Y313 HydrophobicContact CZ2-CD2 4.03Å; W298-A327 HydrophobicContact CD2-CB 3.93Å; W298-A327 HydrophobicContact CG-CB 4.1Å; W298-A327 HydrophobicContact CZ2-CB 4.19Å; W298-A327 PolarHBondContact NE1-O 3.23Å; W298-A327 VanDerWaalsContact NE1-O 3.15Å
299H96.6Very high96.3Very high12 Ų1236.2 Ų36.26%0.05619%0.193CC..Hα-helixtrans-51.4-49178.1172.3-81.4000112.7P295 V296 R303 V330 D331 E334 T336P295-H299 VanDerWaalsContact O-CB 3.25Å; P295-H299 WeakPolarHBondContact O-CB 3.43Å; P295-H299 PolarHBondContact O-N 3.29Å; P295-H299 VanDerWaalsContact O-N 3.08Å; V296-H299 PolarHBondContact O-N 3.03Å; H299-R303 PolarHBondContact CD2-NH1 3.13Å; H299-R303 VanDerWaalsContact CE1-CZ 3.41Å; H299-R303 PolarHBondContact CE1-NH1 3.22Å; H299-R303 VanDerWaalsContact CG-NH1 3.25Å; H299-R303 PolarHBondContact ND1-NH1 3.23Å; H299-R303 VanDerWaalsContact ND1-NH1 3.19Å; H299-R303 VanDerWaalsContact NE2-CZ 3.25Å; H299-R303 PolarHBondContact NE2-NH1 3.33Å; H299-R303 PolarHBondContact NE2-NH2 2.94Å; H299-R303 PolarHBondContact O-N 3.33Å; H299-V330 HydrophobicContact CB-CG1 4.02Å; H299-D331 PolarHBondContact CD2-O 2.61Å; H299-E334 PolarHBondContact NE2-O 2.66Å; H299-T336 HydrophobicContact CB-CG2 3.73Å; H299-T336 WeakPolarHBondContact ND1-CG2 3.47Å
300K94.6Very high96.2Very high39 Ų3942.9 Ų42.917%0.1722%0.218CC..Hα-helixtrans-70.8-37.9178.8-71.5177.8-179.4-68.70112.5V296 W298 R303 G304 I338 S340V296-K300 HydrophobicContact CG1-CD 4.07Å; V296-K300 WeakPolarHBondContact O-CG 3.32Å; V296-K300 PolarHBondContact O-N 3.24Å; W298-K300 VanDerWaalsContact C-N 3.33Å; W298-K300 PolarHBondContact O-N 2.96Å; K300-R303 PolarHBondContact O-N 3.02Å; K300-G304 PolarHBondContact O-N 2.67Å; K300-I338 WeakPolarHBondContact CE-O 3.47Å; K300-I338 PolarHBondContact NZ-O 3.42Å; K300-S340 VanDerWaalsContact CE-CB 3.48Å
301T96Very high96.1Very high0 Ų045.1 Ų45.10%023%0.227CC..Hα-helixtrans-68.8-36.5179.1-60.20000111.9F161 V297 W298 R305 L308 W312F161-T301 HydrophobicContact CE1-CG2 4.33Å; V297-T301 WeakPolarHBondContact O-CB 3.34Å; V297-T301 PolarHBondContact O-N 2.95Å; V297-T301 PolarHBondContact O-OG1 3.04Å; W298-T301 PolarHBondContact O-N 2.99Å; W298-T301 VanDerWaalsContact O-N 3.12Å; T301-R305 HydrophobicContact CG2-CB 4.47Å; T301-R305 CarbonylContact O-C 3.56Å; T301-R305 VanDerWaalsContact O-CA 3.29Å; T301-R305 WeakPolarHBondContact O-CA 3.49Å; T301-R305 PolarHBondContact O-N 2.8Å; T301-L308 HydrophobicContact CG2-CD2 4.2Å; T301-W312 HydrophobicContact CG2-CE3 4.2Å; T301-W312 HydrophobicContact CG2-CZ3 4.28Å
302V95.6Very high96.2Very high29 Ų2942.4 Ų42.418%0.17621%0.208CC..Hα-helixtrans-63.3-45.7175.5172.60000110.9W298 P306 L332W298-V302 HydrophobicContact CD2-CG2 3.76Å; W298-V302 VanDerWaalsContact CE2-CG2 3.42Å; W298-V302 HydrophobicContact CE3-CG2 4.13Å; W298-V302 HydrophobicContact CG-CG2 4.35Å; W298-V302 HydrophobicContact CH2-CG2 3.81Å; W298-V302 HydrophobicContact CZ2-CG2 3.47Å; W298-V302 VanDerWaalsContact CZ2-CG2 3.47Å; W298-V302 HydrophobicContact CZ3-CG2 4.16Å; W298-V302 VanDerWaalsContact O-CG2 3.31Å; W298-V302 WeakPolarHBondContact O-CG2 2.99Å; W298-V302 PolarHBondContact O-N 2.81Å; V302-P306 VanDerWaalsContact O-CG 3.32Å; V302-P306 WeakPolarHBondContact O-CG 3.28Å; V302-L332 HydrophobicContact CB-CD2 3.99Å; V302-L332 HydrophobicContact CG1-CD1 3.76Å; V302-L332 HydrophobicContact CG1-CD2 4.03Å; V302-L332 HydrophobicContact CG2-CD2 4.27Å
303R92.2Very high96.2Very high115 Ų11542.9 Ų42.943%0.43421%0.207SC..Hα-helixtrans-69.6-49.7177.8-72.1-172.1177.387.2-30.2112.7H299 K300 L332 E334H299-R303 PolarHBondContact CD2-NH1 3.13Å; H299-R303 VanDerWaalsContact CE1-CZ 3.41Å; H299-R303 PolarHBondContact CE1-NH1 3.22Å; H299-R303 VanDerWaalsContact CG-NH1 3.25Å; H299-R303 PolarHBondContact ND1-NH1 3.23Å; H299-R303 VanDerWaalsContact ND1-NH1 3.19Å; H299-R303 VanDerWaalsContact NE2-CZ 3.25Å; H299-R303 PolarHBondContact NE2-NH1 3.33Å; H299-R303 PolarHBondContact NE2-NH2 2.94Å; H299-R303 PolarHBondContact O-N 3.33Å; K300-R303 PolarHBondContact O-N 3.02Å; R303-L332 PolarHBondContact NH1-O 2.8Å; R303-L332 PolarHBondContact NH2-O 2.73Å; R303-E334 PolarHBondContact NH2-O 3Å
304G92.6Very high96.1Very high57 Ų5750 Ų5059%0.58823%0.234SC*.Hα-helixtrans-80-31.6-173.900000114.5K300K300-G304 PolarHBondContact O-N 2.67Å
305R95.3Very high96.1Very high89 Ų8952.7 Ų52.734%0.33625%0.248SC..  trans-139.665.7-175.3-52.7-166.678.2-175.63.3112.8T301 K307 L308 S309T301-R305 HydrophobicContact CG2-CB 4.47Å; T301-R305 CarbonylContact O-C 3.56Å; T301-R305 VanDerWaalsContact O-CA 3.29Å; T301-R305 WeakPolarHBondContact O-CA 3.49Å; T301-R305 PolarHBondContact O-N 2.8Å; R305-K307 VanDerWaalsContact C-N 3.26Å; R305-K307 PolarHBondContact O-N 3.2Å; R305-L308 HydrophobicContact CB-CB 3.89Å; R305-L308 HydrophobicContact CB-CD2 4.29Å; R305-L308 WeakPolarHBondContact O-CB 3.39Å; R305-L308 PolarHBondContact O-N 2.85Å; R305-S309 PolarHBondContact O-N 2.92Å; R305-S309 VanDerWaalsContact O-N 3.11Å
306P95Very high96Very high63 Ų6350.8 Ų50.841%0.40924%0.235SC..Hα-helixtrans-60-26.1-172.3-20.727.3000116V302 S309 R310V302-P306 VanDerWaalsContact O-CG 3.32Å; V302-P306 WeakPolarHBondContact O-CG 3.28Å; P306-S309 WeakPolarHBondContact CA-OG 3.48Å; P306-S309 PolarHBondContact O-OG 3.46Å; P306-S309 VanDerWaalsContact O-OG 3.04Å; P306-R310 WeakPolarHBondContact O-CG 3.21Å; P306-R310 PolarHBondContact O-N 2.88Å; P306-R310 PolarHBondContact O-NE 3.09Å
307K96.1Very high96Very high172 Ų17255.1 Ų55.175%0.74825%0.253SS*.Hα-helixtrans-76.2-33.9176.5-69.3-179.4-178175.70111.6R305R305-K307 VanDerWaalsContact C-N 3.26Å; R305-K307 PolarHBondContact O-N 3.2Å
308L95.9Very high96Very high14 Ų1461.9 Ų61.97%0.07329%0.285CS..Hα-helixtrans-70.6-49.7176.9-177.366.3000109.7F161 A164 R168 P170 T301 R305 R310 K311 W312F161-L308 HydrophobicContact CE1-CD2 4.31Å; A164-L308 HydrophobicContact CB-CD1 3.84Å; R168-L308 HydrophobicContact CB-CD1 4.32Å; R168-L308 WeakPolarHBondContact O-CD1 3.32Å; P170-L308 HydrophobicContact CG-CD2 4.28Å; T301-L308 HydrophobicContact CG2-CD2 4.2Å; R305-L308 HydrophobicContact CB-CB 3.89Å; R305-L308 HydrophobicContact CB-CD2 4.29Å; R305-L308 WeakPolarHBondContact O-CB 3.39Å; R305-L308 PolarHBondContact O-N 2.85Å; L308-R310 PolarHBondContact O-N 2.86Å; L308-K311 PolarHBondContact O-N 3.27Å; L308-K311 VanDerWaalsContact O-N 3.09Å; L308-W312 WeakPolarHBondContact O-CB 3.26Å; L308-W312 PolarHBondContact O-N 3.34Å
309S96.4Very high95.9Very high5 Ų566.6 Ų66.64%0.03531%0.308CS..Hα-helixtrans-55.7-47.8-179.3630000112.4R305 P306 K311 W312 Y313R305-S309 PolarHBondContact O-N 2.92Å; R305-S309 VanDerWaalsContact O-N 3.11Å; P306-S309 WeakPolarHBondContact CA-OG 3.48Å; P306-S309 PolarHBondContact O-OG 3.46Å; P306-S309 VanDerWaalsContact O-OG 3.04Å; S309-K311 VanDerWaalsContact C-N 3.26Å; S309-K311 PolarHBondContact O-N 3.03Å; S309-W312 PolarHBondContact O-N 2.72Å; S309-W312 VanDerWaalsContact O-N 3.15Å; S309-Y313 WeakPolarHBondContact O-CB 3.36Å; S309-Y313 PolarHBondContact O-N 2.55Å
310R96.6Very high95.9Very high140 Ų14068.5 Ų68.553%0.52832%0.316SS..Hα-helixtrans-59.5-33.2178.2-78.8-178.7-75.8161.6-16.7114P306 L308 R314P306-R310 WeakPolarHBondContact O-CG 3.21Å; P306-R310 PolarHBondContact O-N 2.88Å; P306-R310 PolarHBondContact O-NE 3.09Å; L308-R310 PolarHBondContact O-N 2.86Å; R310-R314 PolarHBondContact O-NE 3.22Å
311K95.9Very high96Very high50 Ų5070 Ų7022%0.21733%0.33CS..Hα-helixtrans-77.3-47175.1179.5-177.5176.7-150.50110A164 L308 S309 Y313 R314 I315A164-K311 PolarHBondContact O-NZ 2.89Å; L308-K311 PolarHBondContact O-N 3.27Å; L308-K311 VanDerWaalsContact O-N 3.09Å; S309-K311 VanDerWaalsContact C-N 3.26Å; S309-K311 PolarHBondContact O-N 3.03Å; K311-Y313 VanDerWaalsContact C-N 3.34Å; K311-Y313 PolarHBondContact O-N 2.92Å; K311-R314 PolarHBondContact O-N 3.16Å; K311-I315 PolarHBondContact O-N 3Å
312W97.9Very high95.9Very high0 Ų075.3 Ų75.30%036%0.355CS..Hα-helixtrans-55.7-49.9-178.4-174.321.6000111.1L160 F161 A164 A289 F294 V297 W298 T301 L308 S309 R314 I315 L316L160-W312 HydrophobicContact CB-CZ2 3.88Å; L160-W312 PolarHBondContact O-NE1 3.26Å; F161-W312 HydrophobicContact CD1-CD2 4.35Å; F161-W312 HydrophobicContact CD1-CE3 4.31Å; F161-W312 HydrophobicContact CD1-CH2 4.17Å; F161-W312 HydrophobicContact CD1-CZ2 4.2Å; F161-W312 HydrophobicContact CD1-CZ3 4.23Å; F161-W312 HydrophobicContact CE1-CD2 4.38Å; F161-W312 AromaticContact CE1-CE3 3.89Å; F161-W312 HydrophobicContact CE1-CE3 3.89Å; F161-W312 AromaticContact CE1-CH2 3.9Å; F161-W312 HydrophobicContact CE1-CH2 3.9Å; F161-W312 HydrophobicContact CE1-CZ2 4.38Å; F161-W312 AromaticContact CE1-CZ3 3.63Å; F161-W312 HydrophobicContact CE1-CZ3 3.63Å; F161-W312 HydrophobicContact CG-CZ2 4.49Å; F161-W312 HydrophobicContact CZ-CH2 4.09Å; F161-W312 AromaticContact CZ-CZ3 3.97Å; F161-W312 HydrophobicContact CZ-CZ3 3.97Å; A164-W312 HydrophobicContact CB-CB 4.13Å; A164-W312 HydrophobicContact CB-CG 4.14Å; A289-W312 HydrophobicContact CB-CH2 4.38Å; A289-W312 HydrophobicContact CB-CZ2 4.49Å; F294-W312 AromaticContact CD2-CH2 3.88Å; F294-W312 HydrophobicContact CD2-CH2 3.88Å; F294-W312 HydrophobicContact CD2-CZ2 4.03Å; F294-W312 AromaticContact CE2-CH2 3.61Å; F294-W312 HydrophobicContact CE2-CH2 3.61Å; F294-W312 AromaticContact CE2-CZ2 3.65Å; F294-W312 HydrophobicContact CE2-CZ2 3.65Å; F294-W312 HydrophobicContact CE2-CZ3 4.2Å; V297-W312 HydrophobicContact CG1-CH2 3.73Å; V297-W312 HydrophobicContact CG1-CZ3 4.01Å; W298-W312 HydrophobicContact CE3-CE3 4.08Å; W298-W312 HydrophobicContact CE3-CZ3 4.26Å; W298-W312 HydrophobicContact CZ3-CE3 4.28Å; T301-W312 HydrophobicContact CG2-CE3 4.2Å; T301-W312 HydrophobicContact CG2-CZ3 4.28Å; L308-W312 WeakPolarHBondContact O-CB 3.26Å; L308-W312 PolarHBondContact O-N 3.34Å; S309-W312 PolarHBondContact O-N 2.72Å; S309-W312 VanDerWaalsContact O-N 3.15Å; W312-R314 VanDerWaalsContact C-N 3.34Å; W312-R314 PolarHBondContact O-N 3.21Å; W312-I315 PolarHBondContact O-N 2.76Å; W312-L316 VanDerWaalsContact O-CB 3.31Å; W312-L316 WeakPolarHBondContact O-CB 3.29Å; W312-L316 PolarHBondContact O-N 3.37Å
313Y97.5Very high95.9Very high39 Ų3974.7 Ų74.715%0.15335%0.351CS..Hα-helixtrans-57.6-41176.6179.8-88.6000113.6W298 S309 K311 I315 L316 K317 A324 A327 D328W298-Y313 AromaticContact CH2-CD2 3.91Å; W298-Y313 HydrophobicContact CH2-CD2 3.91Å; W298-Y313 HydrophobicContact CH2-CG 4.06Å; W298-Y313 HydrophobicContact CZ2-CD2 4.03Å; S309-Y313 WeakPolarHBondContact O-CB 3.36Å; S309-Y313 PolarHBondContact O-N 2.55Å; K311-Y313 VanDerWaalsContact C-N 3.34Å; K311-Y313 PolarHBondContact O-N 2.92Å; Y313-I315 VanDerWaalsContact C-N 3.33Å; Y313-I315 PolarHBondContact O-N 3.3Å; Y313-L316 PolarHBondContact O-N 3.16Å; Y313-K317 HydrophobicContact CE1-CD 3.77Å; Y313-K317 VanDerWaalsContact O-CB 3.28Å; Y313-K317 WeakPolarHBondContact O-CB 3.4Å; Y313-K317 PolarHBondContact O-N 3.24Å; Y313-K317 PolarHBondContact OH-NZ 2.92Å; Y313-A324 HydrophobicContact CE2-CB 4.03Å; Y313-A327 HydrophobicContact CD2-CB 3.93Å; Y313-A327 HydrophobicContact CE2-CB 3.96Å; Y313-D328 WeakPolarHBondContact CE2-OD1 3.5Å; Y313-D328 VanDerWaalsContact CZ-OD1 3.25Å; Y313-D328 PolarHBondContact OH-OD1 3.38Å; Y313-D328 PolarHBondContact OH-OD2 3.06Å
314R97.2Very high96.1Very high151 Ų15169.3 Ų69.357%0.5733%0.33SS*.Hα-helixtrans-61.5-40.4179.3-86.5179.9-88162.5-16.1112.8R310 K311 W312 Q318R310-R314 PolarHBondContact O-NE 3.22Å; K311-R314 PolarHBondContact O-N 3.16Å; W312-R314 VanDerWaalsContact C-N 3.34Å; W312-R314 PolarHBondContact O-N 3.21Å; R314-Q318 WeakPolarHBondContact O-CG 3.25Å
315I97.3Very high96.2Very high55 Ų5571.3 Ų71.328%0.28233%0.331SS..Hα-helixtrans-76.9-42.9177.3-55.4-55.7000110Y163 K311 W312 Y313 K317 Q318 E319Y163-I315 HydrophobicContact CD1-CG2 4.39Å; Y163-I315 WeakPolarHBondContact O-CB 3.49Å; K311-I315 PolarHBondContact O-N 3Å; W312-I315 PolarHBondContact O-N 2.76Å; Y313-I315 VanDerWaalsContact C-N 3.33Å; Y313-I315 PolarHBondContact O-N 3.3Å; I315-K317 VanDerWaalsContact C-N 3.3Å; I315-K317 PolarHBondContact O-N 2.97Å; I315-Q318 WeakPolarHBondContact O-CB 3.5Å; I315-Q318 PolarHBondContact O-N 2.92Å; I315-E319 HydrophobicContact CG2-CG 4.11Å; I315-E319 PolarHBondContact O-N 2.92Å
316L95.4Very high96.2Very high0 Ų069.7 Ų69.70%033%0.329CS..Hα-helixtrans-59.3-40.4179.2-162.170.5000111.8Y163 F294 W312 Y313 Q318 E319 H320 L323Y163-L316 HydrophobicContact CD2-CD1 3.62Å; Y163-L316 HydrophobicContact CE2-CD1 4.26Å; Y163-L316 HydrophobicContact CG-CD1 4.17Å; F294-L316 HydrophobicContact CE1-CD2 4.28Å; F294-L316 HydrophobicContact CE2-CD2 3.59Å; F294-L316 HydrophobicContact CZ-CD2 3.35Å; W312-L316 VanDerWaalsContact O-CB 3.31Å; W312-L316 WeakPolarHBondContact O-CB 3.29Å; W312-L316 PolarHBondContact O-N 3.37Å; Y313-L316 PolarHBondContact O-N 3.16Å; L316-Q318 PolarHBondContact O-N 3.09Å; L316-E319 PolarHBondContact O-N 2.89Å; L316-H320 HydrophobicContact CD1-CB 4.18Å; L316-H320 HydrophobicContact CG-CB 4.49Å; L316-H320 CarbonylContact O-C 3.14Å; L316-H320 VanDerWaalsContact O-CA 3.28Å; L316-H320 WeakPolarHBondContact O-CA 3.36Å; L316-H320 PolarHBondContact O-N 3.11Å; L316-L323 HydrophobicContact CD1-CB 4.35Å; L316-L323 HydrophobicContact CD1-CD1 3.99Å; L316-L323 HydrophobicContact CD2-CB 3.76Å; L316-L323 HydrophobicContact CG-CB 4Å
317K96.7Very high96.2Very high107 Ų10766.8 Ų66.847%0.46531%0.31SS..Hα-helixtrans-64.4-21.8176.2-169.3165.8-168.91550114.1Y313 I315 A324Y313-K317 HydrophobicContact CE1-CD 3.77Å; Y313-K317 VanDerWaalsContact O-CB 3.28Å; Y313-K317 WeakPolarHBondContact O-CB 3.4Å; Y313-K317 PolarHBondContact O-N 3.24Å; Y313-K317 PolarHBondContact OH-NZ 2.92Å; I315-K317 VanDerWaalsContact C-N 3.3Å; I315-K317 PolarHBondContact O-N 2.97Å; K317-A324 HydrophobicContact CB-CB 3.73Å; K317-A324 HydrophobicContact CD-CB 4.39Å; K317-A324 HydrophobicContact CG-CB 3.89Å
318Q96.9Very high96.1Very high141 Ų14163.4 Ų63.466%0.65930%0.3SS*.Hα-helixtrans-88.3-43.3177.8-66.8173.21.900111.4R314 I315 L316R314-Q318 WeakPolarHBondContact O-CG 3.25Å; I315-Q318 WeakPolarHBondContact O-CB 3.5Å; I315-Q318 PolarHBondContact O-N 2.92Å; L316-Q318 PolarHBondContact O-N 3.09Å
319E96.5Very high96Very high121 Ų12166.7 Ų66.757%0.56532%0.324SS*.Hα-helixtrans-86.3-36.4-175.4-59.4-68.3156.700112.7Y163 I315 L316Y163-E319 HydrophobicContact CD1-CB 4.33Å; Y163-E319 HydrophobicContact CD1-CG 4.18Å; Y163-E319 HydrophobicContact CE1-CB 4.14Å; Y163-E319 HydrophobicContact CE1-CG 4.24Å; I315-E319 HydrophobicContact CG2-CG 4.11Å; I315-E319 PolarHBondContact O-N 2.92Å; L316-E319 PolarHBondContact O-N 2.89Å
320H96.1Very high95.8Very high51 Ų5167.7 Ų67.724%0.23633%0.331CS..  trans-141.872.5-173.6-69.8-76.2000111.6Y163 L316 E322 L323 A324Y163-H320 AromaticContact CE2-CD2 3.57Å; Y163-H320 AromaticContact CE2-NE2 3.82Å; Y163-H320 AromaticContact CZ-CD2 3.38Å; Y163-H320 AromaticContact CZ-NE2 3.33Å; Y163-H320 VanDerWaalsContact CZ-NE2 3.33Å; Y163-H320 PolarHBondContact OH-CD2 3.21Å; Y163-H320 PolarHBondContact OH-NE2 3.33Å; L316-H320 HydrophobicContact CD1-CB 4.18Å; L316-H320 HydrophobicContact CG-CB 4.49Å; L316-H320 CarbonylContact O-C 3.14Å; L316-H320 VanDerWaalsContact O-CA 3.28Å; L316-H320 WeakPolarHBondContact O-CA 3.36Å; L316-H320 PolarHBondContact O-N 3.11Å; H320-E322 WeakPolarHBondContact CA-OE2 3.24Å; H320-E322 WeakPolarHBondContact CB-OE1 3.34Å; H320-E322 IonicContact CG-OE1 2.91Å; H320-E322 IonicContact ND1-OE1 3.8Å; H320-E322 PolarHBondContact ND1-OE1 3.23Å; H320-E322 PolarHBondContact O-N 3.06Å; H320-E322 VanDerWaalsContact O-N 3.16Å; H320-L323 HydrophobicContact CB-CB 4.35Å; H320-L323 HydrophobicContact CB-CD1 3.92Å; H320-L323 HydrophobicContact CB-CG 4.24Å; H320-L323 PolarHBondContact O-N 3.48Å; H320-L323 VanDerWaalsContact O-N 3.09Å; H320-A324 PolarHBondContact O-N 2.96Å
321P96.2Very high95.3Very high70 Ų7065 Ų6546%0.45533%0.327SS..Hα-helixtrans-55.6-32.3-177.1-23.833.9000113.9L323 A324 V325P321-L323 VanDerWaalsContact C-N 3.31Å; P321-L323 PolarHBondContact O-N 2.67Å; P321-A324 WeakPolarHBondContact O-CB 3.26Å; P321-A324 PolarHBondContact O-N 3.37Å; P321-A324 VanDerWaalsContact O-N 3.14Å; P321-V325 PolarHBondContact O-N 2.87Å
322E95.7Very high94.7Very high112 Ų11265.9 Ų65.952%0.52333%0.333SS..Hα-helixtrans-59.3-38.6177.369.4-72.917600112.7H320 V325 L326H320-E322 WeakPolarHBondContact CA-OE2 3.24Å; H320-E322 WeakPolarHBondContact CB-OE1 3.34Å; H320-E322 IonicContact CG-OE1 2.91Å; H320-E322 IonicContact ND1-OE1 3.8Å; H320-E322 PolarHBondContact ND1-OE1 3.23Å; H320-E322 PolarHBondContact O-N 3.06Å; H320-E322 VanDerWaalsContact O-N 3.16Å; E322-V325 PolarHBondContact O-N 3.11Å; E322-L326 PolarHBondContact O-N 3.06Å
323L95.4Very high93.8Very high17 Ų1774.4 Ų74.49%0.08937%0.373CS..Hα-helixtrans-76.5-28176.9-64.5175.5000111.8L160 F294 L316 H320 P321 L326 A327L160-L323 HydrophobicContact CD1-CD1 3.85Å; L160-L323 HydrophobicContact CD2-CD1 3.55Å; L160-L323 HydrophobicContact CG-CD1 4.34Å; F294-L323 HydrophobicContact CE1-CB 4.5Å; F294-L323 WeakPolarHBondContact CE1-O 3.34Å; L316-L323 HydrophobicContact CD1-CB 4.35Å; L316-L323 HydrophobicContact CD1-CD1 3.99Å; L316-L323 HydrophobicContact CD2-CB 3.76Å; L316-L323 HydrophobicContact CG-CB 4Å; H320-L323 HydrophobicContact CB-CB 4.35Å; H320-L323 HydrophobicContact CB-CD1 3.92Å; H320-L323 HydrophobicContact CB-CG 4.24Å; H320-L323 PolarHBondContact O-N 3.48Å; H320-L323 VanDerWaalsContact O-N 3.09Å; P321-L323 VanDerWaalsContact C-N 3.31Å; P321-L323 PolarHBondContact O-N 2.67Å; L323-L326 WeakPolarHBondContact O-CB 2.99Å; L323-L326 PolarHBondContact O-N 2.95Å; L323-A327 PolarHBondContact O-N 3.41Å
324A94.9Very high93.1Very high1 Ų179.2 Ų79.21%0.00840%0.397CS..Hα-helixtrans-69-37.4172.900000111.8Y313 K317 H320 P321 L326 A327 D328Y313-A324 HydrophobicContact CE2-CB 4.03Å; K317-A324 HydrophobicContact CB-CB 3.73Å; K317-A324 HydrophobicContact CD-CB 4.39Å; K317-A324 HydrophobicContact CG-CB 3.89Å; H320-A324 PolarHBondContact O-N 2.96Å; P321-A324 WeakPolarHBondContact O-CB 3.26Å; P321-A324 PolarHBondContact O-N 3.37Å; P321-A324 VanDerWaalsContact O-N 3.14Å; A324-L326 VanDerWaalsContact C-N 3.31Å; A324-L326 PolarHBondContact O-N 3.14Å; A324-A327 WeakPolarHBondContact O-CB 3.4Å; A324-A327 PolarHBondContact O-N 2.88Å; A324-D328 VanDerWaalsContact O-CG 3.28Å; A324-D328 PolarHBondContact O-N 3.49Å
325V96.2Very high92.2Very high99 Ų9977 Ų7760%0.641%0.405SS*.Hα-helixtrans-61.2-42.7171.4174.40000110.5P321 E322 A327 D328 S329P321-V325 PolarHBondContact O-N 2.87Å; E322-V325 PolarHBondContact O-N 3.11Å; V325-A327 VanDerWaalsContact C-N 3.34Å; V325-A327 PolarHBondContact O-N 3.41Å; V325-D328 PolarHBondContact O-N 3.38Å; V325-S329 PolarHBondContact O-N 3.5Å
326L94.3Very high91.4Very high55 Ų5576.2 Ų76.229%0.28840%0.403SS..Hα-helixtrans-59.5-45.8174.5-173.159.2000111F294 P295 E322 L323 A324 D328 S329 V330F294-L326 HydrophobicContact CB-CD2 4.5Å; F294-L326 HydrophobicContact CD1-CB 4.4Å; F294-L326 HydrophobicContact CD1-CD2 3.86Å; F294-L326 HydrophobicContact CD1-CG 4.14Å; P295-L326 HydrophobicContact CG-CD1 4.19Å; P295-L326 HydrophobicContact CG-CD2 3.95Å; P295-L326 HydrophobicContact CG-CG 4.14Å; E322-L326 PolarHBondContact O-N 3.06Å; L323-L326 WeakPolarHBondContact O-CB 2.99Å; L323-L326 PolarHBondContact O-N 2.95Å; A324-L326 VanDerWaalsContact C-N 3.31Å; A324-L326 PolarHBondContact O-N 3.14Å; L326-D328 VanDerWaalsContact C-N 3.3Å; L326-D328 PolarHBondContact O-N 3.07Å; L326-S329 PolarHBondContact O-N 3.04Å; L326-S329 VanDerWaalsContact O-N 3.09Å; L326-S329 PolarHBondContact O-OG 3.05Å; L326-V330 WeakPolarHBondContact O-CG2 3.34Å; L326-V330 PolarHBondContact O-N 3.47Å
327A94.6Very high90.7Very high3 Ų378.9 Ų78.93%0.02543%0.43CS..Hα-helixtrans-58.3-38.3175.800000113.5F294 W298 Y313 L323 A324 V325 S329F294-A327 HydrophobicContact CE1-CB 3.79Å; F294-A327 HydrophobicContact CZ-CB 4.04Å; W298-A327 HydrophobicContact CD2-CB 3.93Å; W298-A327 HydrophobicContact CG-CB 4.1Å; W298-A327 HydrophobicContact CZ2-CB 4.19Å; W298-A327 PolarHBondContact NE1-O 3.23Å; W298-A327 VanDerWaalsContact NE1-O 3.15Å; Y313-A327 HydrophobicContact CD2-CB 3.93Å; Y313-A327 HydrophobicContact CE2-CB 3.96Å; L323-A327 PolarHBondContact O-N 3.41Å; A324-A327 WeakPolarHBondContact O-CB 3.4Å; A324-A327 PolarHBondContact O-N 2.88Å; V325-A327 VanDerWaalsContact C-N 3.34Å; V325-A327 PolarHBondContact O-N 3.41Å; A327-S329 VanDerWaalsContact C-N 3.3Å
328D94.1Very high90.1Very high100 Ų10075.4 Ų75.454%0.53542%0.416SS..Hα-helixtrans-71.7-25.4178.3-66.6-23.8000112.1Y313 A324 V325 L326Y313-D328 WeakPolarHBondContact CE2-OD1 3.5Å; Y313-D328 VanDerWaalsContact CZ-OD1 3.25Å; Y313-D328 PolarHBondContact OH-OD1 3.38Å; Y313-D328 PolarHBondContact OH-OD2 3.06Å; A324-D328 VanDerWaalsContact O-CG 3.28Å; A324-D328 PolarHBondContact O-N 3.49Å; V325-D328 PolarHBondContact O-N 3.38Å; L326-D328 VanDerWaalsContact C-N 3.3Å; L326-D328 PolarHBondContact O-N 3.07Å
329S93.8Very high89.2Confident83 Ų8370.4 Ų70.458%0.5840%0.399SS*.Hα-helixtrans-82.4-16.5177.3740000114.6V325 L326 A327 D331V325-S329 PolarHBondContact O-N 3.5Å; L326-S329 PolarHBondContact O-N 3.04Å; L326-S329 VanDerWaalsContact O-N 3.09Å; L326-S329 PolarHBondContact O-OG 3.05Å; A327-S329 VanDerWaalsContact C-N 3.3Å; S329-D331 PolarHBondContact O-N 3.34Å
330V92.3Very high88.4Confident27 Ų2766 Ų6616%0.16438%0.381CS..SBendtrans-75.3120.2179.9178.30000110.1P295 H299 L326 L332P295-V330 HydrophobicContact CB-CG2 3.93Å; H299-V330 HydrophobicContact CB-CG1 4.02Å; L326-V330 WeakPolarHBondContact O-CG2 3.34Å; L326-V330 PolarHBondContact O-N 3.47Å; V330-L332 PolarHBondContact O-N 3.41Å
331D86.2Confident87.6Confident83 Ų8366.5 Ų66.544%0.44439%0.386SS..  trans-70.7124.7170.2-165-17.2000110.6H299 S329 Q333H299-D331 PolarHBondContact CD2-O 2.61Å; S329-D331 PolarHBondContact O-N 3.34Å; D331-Q333 WeakPolarHBondContact OD1-CB 3.39Å; D331-Q333 PolarHBondContact OD1-N 3.24Å
332L84.3Confident85.9Confident69 Ų6967.9 Ų67.936%0.36140%0.397SS..SBendtrans-90.71.2179.2-63.7173.3000113V302 R303 V330V302-L332 HydrophobicContact CB-CD2 3.99Å; V302-L332 HydrophobicContact CG1-CD1 3.76Å; V302-L332 HydrophobicContact CG1-CD2 4.03Å; V302-L332 HydrophobicContact CG2-CD2 4.27Å; R303-L332 PolarHBondContact NH1-O 2.8Å; R303-L332 PolarHBondContact NH2-O 2.73Å; V330-L332 PolarHBondContact O-N 3.41Å
333Q79.1Confident83.8Confident179 Ų17964.3 Ų64.384%0.83638%0.384SS*.SBendtrans-98-37.8176.8-59.5-175.72200111.4D331D331-Q333 WeakPolarHBondContact OD1-CB 3.39Å; D331-Q333 PolarHBondContact OD1-N 3.24Å
334E81.8Confident81.1Confident139 Ų13967.8 Ų67.865%0.6541%0.41SS*.SBendtrans-69.9159.9174.9-80.7-171150.900113H299 R303H299-E334 PolarHBondContact NE2-O 2.66Å; R303-E334 PolarHBondContact NH2-O 3Å
335S79.4Confident78.4Confident106 Ų10669.7 Ų69.774%0.74142%0.42SS*.  trans-85.4139.1173.1178.30000110.4G337S335-G337 PolarHBondContact O-N 2.85Å; S335-G337 PolarHBondContact OG-N 2.84Å
336T79.8Confident75.5Confident38 Ų3866.4 Ų66.423%0.23340%0.401CS..  trans-71.5-9.9173.5470000114.2V296 H299 I338V296-T336 HydrophobicContact CB-CG2 4.43Å; V296-T336 HydrophobicContact CG1-CG2 4.31Å; V296-T336 HydrophobicContact CG2-CG2 4.27Å; H299-T336 HydrophobicContact CB-CG2 3.73Å; H299-T336 WeakPolarHBondContact ND1-CG2 3.47Å; T336-I338 PolarHBondContact O-N 2.74Å; T336-I338 PolarHBondContact OG1-O 3.03Å
337G81.4Confident72.8Confident55 Ų5565 Ų6557%0.56740%0.396SS*.SBendtrans68.6-17.9-171.300000115T211 S335T211-G337 WeakPolarHBondContact CG2-O 3.26Å; S335-G337 PolarHBondContact O-N 2.85Å; S335-G337 PolarHBondContact OG-N 2.84Å
338I83.3Confident70Confident34 Ų3466.9 Ų66.917%0.17441%0.41CS..  trans-87.7122.9176.1-58.3-54.6000111T211 G270 V296 K300 T336T211-I338 HydrophobicContact CG2-CD1 3.98Å; G270-I338 VanDerWaalsContact CA-CG2 3.5Å; V296-I338 HydrophobicContact CG1-CB 3.82Å; V296-I338 HydrophobicContact CG1-CG1 4.22Å; V296-I338 HydrophobicContact CG1-CG2 3.92Å; V296-I338 HydrophobicContact CG2-CG1 4.05Å; K300-I338 WeakPolarHBondContact CE-O 3.47Å; K300-I338 PolarHBondContact NZ-O 3.42Å; T336-I338 PolarHBondContact O-N 2.74Å; T336-I338 PolarHBondContact OG1-O 3.03Å
339A77.6Confident67.2Low36 Ų3663.8 Ų63.830%0.29840%0.396SS..  trans-75.8159.7170.600000111.8I188 T211I188-A339 HydrophobicContact CD1-CB 3.39Å; I188-A339 WeakPolarHBondContact CG2-O 3.32Å; T211-A339 WeakPolarHBondContact OG1-CB 3.46Å; T211-A339 PolarHBondContact OG1-N 3.09Å
340S80.3Confident64.2Low29 Ų2963.6 Ų63.620%0.20339%0.394CS..  trans-168.6144.2178.4179.80000111.3D189 P190 L191 G192 K300D189-S340 PolarHBondContact O-OG 3.13Å; P190-S340 WeakPolarHBondContact CA-OG 3.46Å; L191-S340 PolarHBondContact N-OG 3.31Å; G192-S340 PolarHBondContact N-OG 3.09Å; K300-S340 VanDerWaalsContact CE-CB 3.48Å
341D79.3Confident61.3Low62 Ų6267.4 Ų67.433%0.33242%0.422SS..  trans-80.7169177.5-67.3-31.5000113.3H187 I188 P190H187-D341 WeakPolarHBondContact CB-OD2 3.49Å; I188-D341 PolarHBondContact N-OD2 2.89Å; I188-D341 WeakPolarHBondContact O-CB 3.48Å; I188-D341 VanDerWaalsContact O-CG 3.28Å; I188-D341 PolarHBondContact O-N 2.85Å; I188-D341 VanDerWaalsContact O-OD2 3.06Å; P190-D341 VanDerWaalsContact CA-O 3.27Å; P190-D341 WeakPolarHBondContact CA-O 3.01Å; P190-D341 WeakPolarHBondContact CB-O 3.46Å
342S60.5Low58.5Low98 Ų9868 Ų6869%0.68543%0.432SS*.  trans-75.9143176.4-68.90000111.2S344S342-S344 PolarHBondContact O-N 3.13Å
343S50.8Low55.9Low37 Ų3769.9 Ų69.926%0.25945%0.452SS..SBendtrans-73.923.4-171.572.20000116D345S343-D345 PolarHBondContact O-N 3.42Å
344S39.4Very low53.5Low90 Ų9066.3 Ų66.363%0.62945%0.446SS*.SBendtrans-77.1109.6168.146.20000106.8S342 S346S342-S344 PolarHBondContact O-N 3.13Å; S344-S346 PolarHBondContact O-N 3.06Å; S344-S346 VanDerWaalsContact O-N 3.12Å
345D37.5Very low51Low42 Ų4264.8 Ų64.823%0.22545%0.451CS..  trans-7.6103.5174.4-71.72.2000113.4K100 E103 P171 S343 S347K100-D345 IonicContact NZ-OD2 3.99Å; K100-D345 PolarHBondContact NZ-OD2 3.3Å; E103-D345 WeakPolarHBondContact OE1-CB 3.43Å; P171-D345 WeakPolarHBondContact CG-OD1 3.29Å; S343-D345 PolarHBondContact O-N 3.42Å; D345-S347 PolarHBondContact O-N 2.65Å
346S35.6Very low48.5Very low29 Ų2966.3 Ų66.320%0.20345%0.451CS..SBendtrans-67.447.2-170.7-45.10000114.7S344S344-S346 PolarHBondContact O-N 3.06Å; S344-S346 VanDerWaalsContact O-N 3.12Å
347S38Very low46.1Very low25 Ų2569.9 Ų69.918%0.17548%0.478CS..  trans-146.256.3-178.5-44.10000109.9F133 D345F133-S347 WeakPolarHBondContact CD1-OG 3.46Å; F133-S347 VanDerWaalsContact CE1-OG 3.23Å; F133-S347 WeakPolarHBondContact CE1-OG 3.41Å; F133-S347 WeakPolarHBondContact CG-OG 3.39Å; D345-S347 PolarHBondContact O-N 2.65Å
348S36.2Very low43.6Very low44 Ų4474.6 Ų74.631%0.30849%0.49SS..  trans-155.2124.1157.3-70.70000109.5E103 S350E103-S348 WeakPolarHBondContact CB-OG 3.08Å; E103-S348 WeakPolarHBondContact CG-OG 3.42Å; S348-S350 VanDerWaalsContact CB-OG 3.29Å; S348-S350 WeakPolarHBondContact CB-OG 3.38Å; S348-S350 PolarHBondContact O-N 2.93Å
349S34.3Very low41.2Very low35 Ų3578.4 Ų78.425%0.24552%0.52CS..  trans-56.482.5154.3-38.70000107.9E231E231-S349 WeakPolarHBondContact OE1-CB 3.45Å; E231-S349 PolarHBondContact OE1-OG 2.94Å
350S31.8Very low38.9Very low78 Ų7885.3 Ų85.355%0.54555%0.546SS..  trans-113.7105.3177.6-61.20000106.7S348 S352S348-S350 VanDerWaalsContact CB-OG 3.29Å; S348-S350 WeakPolarHBondContact CB-OG 3.38Å; S348-S350 PolarHBondContact O-N 2.93Å; S350-S352 PolarHBondContact O-N 3.36Å
351S30.8Very low36.5Very low107 Ų10789.6 Ų89.675%0.74857%0.574SS**  trans-47.6107.7171.6430000110.3S353S351-S353 PolarHBondContact O-N 3.17Å
352S28.4Very low34.1Very low95 Ų9595 Ų9566%0.66460%0.598SS**  trans-79.4113.4165.240.40000107.4S350 S354S350-S352 PolarHBondContact O-N 3.36Å; S352-S354 PolarHBondContact O-N 3.18Å; S352-S354 VanDerWaalsContact O-N 3.1Å
353S28.3Very low32.7Very low110 Ų11096.3 Ų96.377%0.76961%0.606SS**  trans-66104.3165.450.20000107.8S351 S355S351-S353 PolarHBondContact O-N 3.17Å; S353-S355 PolarHBondContact O-N 3.49Å
354S30.1Very low31.6Very low103 Ų10397.7 Ų97.772%0.7263%0.627SS**  trans-68.7112.1164.640.40000108.1S352 D356S352-S354 PolarHBondContact O-N 3.18Å; S352-S354 VanDerWaalsContact O-N 3.1Å; S354-D356 PolarHBondContact O-N 2.88Å
355S27.3Very low31.1Very low107 Ų10799.7 Ų99.775%0.74864%0.641SS**  trans-78.5108.4164-32.80000106.8S353 S357S353-S355 PolarHBondContact O-N 3.49Å; S355-S357 PolarHBondContact O-N 3.3Å
356D28.4Very low30.6Very low138 Ų138107.4 Ų107.474%0.73868%0.675SS**  trans-63.4125.2167.5-63.6-49.5000108.1S354S354-D356 PolarHBondContact O-N 2.88Å
357S29.2Very low30.2Very low114 Ų114109.8 Ų109.880%0.79770%0.704SS**  trans-91.699.4171.9-63.80000107.4S355S355-S357 PolarHBondContact O-N 3.3Å
358D29.3Very low29.7Very low153 Ų153116.7 Ų116.782%0.81874%0.74SS**  trans-64.8135.4168.3-75.8-42.5000110
359S31.7Very low29.2Very low115 Ų115117.9 Ų117.980%0.80476%0.759SS**  trans-83.9121.2177.5-530000108.6
360E30.4Very low28.9Very low181 Ų181122.6 Ų122.685%0.84679%0.786SS**  trans-131.2135.7167.8-77.2-85.1151.300109.3
361C28.4Very low28.8Very low118 Ų118125.4 Ų125.480%0.79780%0.8SS**  trans-79.7159.8-169.645.90000114.5
362E29.5Very low28.8Very low177 Ų177129.3 Ų129.383%0.82781%0.806SS**  trans-35.7136.5169.6-70.7-78.6146.700116.6
363S31.6Very low28.8Very low124 Ų124136.6 Ų136.687%0.86782%0.819SS**  trans-168.2113.4144.4-72.60000109.7
364G27.1Very low28.8Very low67 Ų67143 Ų14369%0.69183%0.826SS**  trans-79.5162.6-177.200000115.4
365S28.8Very low28.6Very low131 Ų131148.3 Ų148.392%0.91684%0.836SS**  168155.4123.6-71.10000111.2
366E27.7Very low28.6Very low204 Ų204153 Ų15395%0.95384%0.843SS**  trans-64159.8-158.7-54.3177.9144.600117.5
367G26.9Very low28.5Very low79 Ų79158.2 Ų158.281%0.81485%0.852SS**  trans17099.316600000114.6
368D27.5Very low28.4Very low171 Ų171164.6 Ų164.691%0.91486%0.859SS**  trans-55.7157.6178.2-16917.6000115.5
369G26.8Very low28.1Very low69 Ų69163.9 Ų163.971%0.71186%0.86SS**  trans150.781.4167.100000117.3
370T27.7Very low27.9Very low134 Ų134164.4 Ų164.482%0.82286%0.863SS**  trans-63.1125.9164.943.60000113.2
371V29.8Very low27.5Very low137 Ų137161.1 Ų161.183%0.8386%0.86SS**  trans-153121.4147.9-173.20000112.3
372H29.1Very low27.4Very low188 Ų188164.5 Ų164.587%0.8787%0.866SS**  trans-64.8136.9162.4-80.5-33.6000112.6
373R28.7Very low27.2Very low249 Ų249163.2 Ų163.294%0.9487%0.87SS**  trans-151.5135.4150-122.4171.7175.5-178.4-0.5116.2
374R28.4Very low26.9Very low245 Ų245160.2 Ų160.293%0.92586%0.858SS**  trans-70.2155.9-175.4-79.1168.4152.3172.4-7.3114.6
375K27Very low26.8Very low213 Ų213165.5 Ų165.593%0.92687%0.871SS**  trans-25.9134.4158.2-81173.9171.1170.80115.3
376K26.2Very low26.6Very low207 Ų207162.3 Ų162.390%0.986%0.859SS**  trans-123.3114.2162.9-139.3174.9-173.7178.90110.2
377R25.7Very low26.6Very low246 Ų246160.2 Ų160.293%0.92885%0.854SS**  trans-80.5132.8167.5-130173.8166.2179.4-6.2106.9
378R28.3Very low26.7Very low248 Ų248161.4 Ų161.494%0.93685%0.846SS**  trans-98.7130174.9-91.2-179.2164.9173.5-4110.2
379T23.3Very low26.7Very low138 Ų138159.1 Ų159.185%0.84784%0.838SS**  trans-131.7131.1164.933.90000107.8
380C25.9Very low26.7Very low127 Ų127160 Ų16086%0.85883%0.833SS**  trans-150145.1161.9-74.10000104.6
381S23.8Very low26.7Very low112 Ų112161.5 Ų161.578%0.78383%0.831SS**  cis-174.7139.4-22.636.20000103.2
382M24.8Very low26.7Very low188 Ų188160.6 Ų160.693%0.92682%0.822SS**  trans-69.3152.9178.1-75-179.4170.500112.4
383V26.8Very low26.6Very low151 Ų151158 Ų15892%0.91581%0.814SS**  trans-117.8127.9149.3179.20000106.3
384G24.7Very low26.4Very low60 Ų60151.2 Ų151.262%0.61980%0.804SS**  trans-108168.4-177.500000113.6
385N25.1Very low26.4Very low178 Ų178146.2 Ų146.295%0.95280%0.8SS**  trans172.7132150.5-99.47.5000104.9
386G25.2Very low26.5Very low65 Ų65141 Ų14167%0.6779%0.791SS**  cis-178150.3-1.800000106.3
387D27.5Very low26.7Very low159 Ų159141.4 Ų141.485%0.8579%0.792SS**  trans50.1133.9139.4-90.6-6.9000120.6
388T28Very low26.7Very low104 Ų104137.1 Ų137.164%0.63878%0.783SS**  cis-165.8151.53636.20000111.4
389T27.5Very low26.8Very low123 Ų123135.3 Ų135.376%0.75578%0.776SS**  trans62.1139.4141.256.70000119.5
390S27.8Very low27Very low87 Ų87134.6 Ų134.661%0.60878%0.777SS**  cis175.5144.5343.20000107.4
391Q27.8Very low27.1Very low167 Ų167134.2 Ų134.278%0.7878%0.775SS**  trans64.4149149.9-65-175.7-58.100118.8
392D28.5Very low27.4Very low117 Ų117134.2 Ų134.263%0.62678%0.776SS**  cis-165.7158.8-11.3-104.4-26.6000106.1
393D27.5Very low27.7Very low133 Ų133136.8 Ų136.871%0.71178%0.775SS**  trans73.2111.2146.5-70.7-34.2000124.1
394C25.6Very low28Very low108 Ų108136.4 Ų136.473%0.7377%0.766SS**  44124.9114.1-62.60000119.1
395V28.2Very low28.2Very low140 Ų140145.4 Ų145.485%0.84878%0.781SS**  177.5132.4101.5157.20000110.4
396S28.6Very low28.5Very low103 Ų103143.3 Ų143.372%0.7277%0.771SS**  trans-57152170.9-34.30000114.4
397K29.1Very low28.8Very low216 Ų216146.7 Ų146.794%0.93978%0.778SS**  -171.1136.4123.2-106.1170.2-176.3178.40113.7
398E27.4Very low29Very low155 Ų155145.3 Ų145.372%0.72478%0.78SS**  trans-80.3160.1178.6-65.9-174.811300114
399R29Very low29.1Very low210 Ų210144.5 Ų144.579%0.79279%0.792SS**  trans51136.2134.8-73.6172.8170.3-171.9-1120.5
400S27.7Very low29.3Very low124 Ų124142.2 Ų142.287%0.86779%0.792SS**  -176.9145.4102.2-76.40000114.3
401S28.8Very low29.6Very low118 Ų118150.3 Ų150.383%0.82581%0.81SS**  trans-77165.3176.4-59.10000114.6
402S30Very low30.4Very low113 Ų113146.1 Ų146.179%0.7980%0.804SS**  trans165.3156.9136.2490000109.6
403R31.1Very low31Very low241 Ų241149 Ų14991%0.90981%0.813SS**  cis-166.2150.4-24.4-113.1178.8177.9-1780.2105.6
404I32.4Very low32.6Very low144 Ų144151.8 Ų151.874%0.73884%0.838SS**  trans-46.7149.5166.7-67.6154.8000115
405R29.1Very low32.9Very low248 Ų248154 Ų15494%0.93684%0.844SS**  -164.4135128.6-108.8178.5-170.9-1661.8114.5
406D32.4Very low33.2Very low135 Ų135154.7 Ų154.772%0.72284%0.844SS**  trans-73.3163.9177-63-63.9000115.1
407T31Very low33.4Very low136 Ų136157.6 Ų157.683%0.83485%0.85SS**  trans164.1117.6131.833.50000108.2
408C32.6Very low33.7Very low130 Ų130154.2 Ų154.288%0.87885%0.845SS**  96.5124.663.4-91.90000114.5
409G29.7Very low34.1Very low87 Ų87154.1 Ų154.190%0.89785%0.853SS**  trans95.3135.815600000115.9
410G31.6Very low34.4Very low74 Ų74150.4 Ų150.476%0.76386%0.857SS**  cis156.4145.62.600000110.6
411R33.8Very low34.9Very low258 Ų258152.3 Ų152.397%0.97486%0.856SS**  trans79.4128.8155.4-69.2-174.9179-170.7-0.2122.9
412A45Very low35.4Very low79 Ų79154.9 Ų154.965%0.65386%0.858SS**  trans-55.9169.2155.500000113
413H40.8Very low35.8Very low178 Ų178158.4 Ų158.482%0.82486%0.864SS**  cis-165.6-173.821.5-103.7-56.5000105.5
414P60.2Low36.2Very low191 Ų191150.9 Ų150.9100%1.2486%0.86SS**  cis-103.20-8.610.811.5000114.2

Retrieved 414 of 414 residues in 565.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).