A0A060XH50_ONCMY Loading...

Translocating chain-associated membrane protein

AlphaFold DB , UniProt , Accession A0A060XH50, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110522001, Length 369 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.8Very low53.1Low240 Ų240165.8 Ų165.8100%1.18279%0.791SS**  0125.40-69.7171.5177.500108.7
2A36.1Very low55.1Low101 Ų101165.3 Ų165.384%0.83578%0.783SS**  trans-75.7125179.100000110.4R4A2-R4 PolarHBondContact O-N 3.49Å
3F37.1Very low57.2Low209 Ų209169.1 Ų169.192%0.91780%0.795SS**  trans-68.286.1168-103.1-90.9000109.1R5F3-R5 VanDerWaalsContact C-N 3.33Å; F3-R5 PolarHBondContact O-N 3.22Å
4R41.3Very low59.4Low236 Ų236159.2 Ų159.289%0.89175%0.754SS**  trans-63.796.3168.2-164177.9-168-178.73.8106.6A2 R6A2-R4 PolarHBondContact O-N 3.49Å; R4-R6 PolarHBondContact O-N 3.14Å
5R43.3Very low61.5Low228 Ų228155.7 Ų155.786%0.8674%0.737SS**  trans-53108.1172.4-87.7-175173.8178.8-1.2107F3 N7F3-R5 VanDerWaalsContact C-N 3.33Å; F3-R5 PolarHBondContact O-N 3.22Å; R5-N7 PolarHBondContact O-N 2.96Å; R5-N7 VanDerWaalsContact O-N 3.07Å
6R44.2Very low63.2Low238 Ų238150.3 Ų150.390%0.89871%0.711SS**  trans-62.6110.4171.9-174.4175.8179.5-179.9-0.7105.9R4 K8R4-R6 PolarHBondContact O-N 3.14Å; R6-K8 PolarHBondContact O-N 3.07Å
7N52.1Low64.7Low145 Ų145143.9 Ų143.978%0.77568%0.68SS**  trans-54.4113.1174.6-80.10.3000107.2R5 S9R5-N7 PolarHBondContact O-N 2.96Å; R5-N7 VanDerWaalsContact O-N 3.07Å; N7-S9 PolarHBondContact O-N 2.88Å; N7-S9 VanDerWaalsContact O-N 3.14Å
8K60.2Low66.1Low149 Ų149140.4 Ų140.465%0.64867%0.666SS**  trans-69.3111.3172.4-77-174.4173.1-172.70106.1R6 Y10R6-K8 PolarHBondContact O-N 3.07Å; K8-Y10 HydrophobicContact CB-CD2 4.49Å; K8-Y10 HydrophobicContact CB-CE1 4.22Å; K8-Y10 HydrophobicContact CB-CE2 3.98Å; K8-Y10 HydrophobicContact CD-CE1 4.3Å; K8-Y10 WeakPolarHBondContact O-CD2 3.39Å; K8-Y10 PolarHBondContact O-N 2.9Å
9S71.9Confident67.3Low119 Ų119133.9 Ų133.983%0.83264%0.636SS**  trans-65.6114.4163.9179.90000107.1N7N7-S9 PolarHBondContact O-N 2.88Å; N7-S9 VanDerWaalsContact O-N 3.14Å
10Y79.4Confident68.4Low66 Ų66132.8 Ų132.826%0.25963%0.63SS.*  trans-95.4140.7171.7-66.9-69.3000108.6K8 F12 E16K8-Y10 HydrophobicContact CB-CD2 4.49Å; K8-Y10 HydrophobicContact CB-CE1 4.22Å; K8-Y10 HydrophobicContact CB-CE2 3.98Å; K8-Y10 HydrophobicContact CD-CE1 4.3Å; K8-Y10 WeakPolarHBondContact O-CD2 3.39Å; K8-Y10 PolarHBondContact O-N 2.9Å; Y10-F12 PolarHBondContact O-N 3.12Å; Y10-E16 HydrophobicContact CD1-CB 3.51Å; Y10-E16 HydrophobicContact CD1-CG 4.22Å; Y10-E16 HydrophobicContact CD2-CB 4.14Å; Y10-E16 HydrophobicContact CE1-CB 3.67Å; Y10-E16 HydrophobicContact CE1-CG 4.02Å; Y10-E16 HydrophobicContact CE2-CB 4.27Å; Y10-E16 HydrophobicContact CG-CB 3.77Å
11P85.9Confident69.5Low93 Ų93128.3 Ų128.360%0.60461%0.609SS**  trans-57.1139.3174.8-23.333.3000111.2F13 S14 F17P11-F13 PolarHBondContact O-N 3.21Å; P11-S14 VanDerWaalsContact O-CB 3.27Å; P11-S14 WeakPolarHBondContact O-CB 3.49Å; P11-S14 PolarHBondContact O-N 3.06Å; P11-S14 PolarHBondContact O-OG 2.84Å; P11-F17 WeakPolarHBondContact O-CB 3.45Å
12F77.4Confident72.4Confident159 Ų159118.2 Ų118.270%0.69756%0.559SS**THydrogen-bonded Turntrans-52.4-33.7-173.5-74.9-78.2000114.8Y10 F17Y10-F12 PolarHBondContact O-N 3.12Å; F12-F17 HydrophobicContact CD1-CD2 4.4Å; F12-F17 AromaticContact CD1-CE1 3.97Å; F12-F17 HydrophobicContact CD1-CE1 3.97Å; F12-F17 AromaticContact CD1-CE2 3.68Å; F12-F17 HydrophobicContact CD1-CE2 3.68Å; F12-F17 AromaticContact CD1-CZ 3.45Å; F12-F17 HydrophobicContact CD1-CZ 3.45Å; F12-F17 VanDerWaalsContact CD1-CZ 3.45Å; F12-F17 AromaticContact CE1-CE2 3.94Å; F12-F17 HydrophobicContact CE1-CE2 3.94Å; F12-F17 AromaticContact CE1-CZ 3.83Å; F12-F17 HydrophobicContact CE1-CZ 3.83Å; F12-F17 WeakPolarHBondContact O-CD1 3.08Å
13F81.8Confident75.1Confident215 Ų215114.3 Ų114.394%0.94353%0.527SS*.THydrogen-bonded Turntrans-97.212.1178.8-58.7-65.7000114.2P11P11-F13 PolarHBondContact O-N 3.21Å
14S88.4Confident77.8Confident31 Ų31109.1 Ų109.122%0.21751%0.509CS..SBendtrans-81.9147.1175.669.50000111.8P11 E16 F17 L18P11-S14 VanDerWaalsContact O-CB 3.27Å; P11-S14 WeakPolarHBondContact O-CB 3.49Å; P11-S14 PolarHBondContact O-N 3.06Å; P11-S14 PolarHBondContact O-OG 2.84Å; S14-E16 PolarHBondContact O-N 2.86Å; S14-F17 WeakPolarHBondContact O-CB 3.27Å; S14-F17 PolarHBondContact O-N 3.06Å; S14-F17 WeakPolarHBondContact OG-CB 3.28Å; S14-F17 PolarHBondContact OG-N 3.13Å; S14-L18 PolarHBondContact O-N 2.69Å; S14-L18 VanDerWaalsContact O-N 3.12Å
15Q90Very high80.4Confident107 Ų107101.2 Ų101.250%0.548%0.484SS..Hα-helixtrans-52.7-38.1172.6168.21696.600112.5L18 I19 Y179Q15-L18 PolarHBondContact O-N 3.43Å; Q15-I19 HydrophobicContact CG-CD1 3.68Å; Q15-I19 HydrophobicContact CG-CG1 4.42Å; Q15-I19 WeakPolarHBondContact O-CB 3.29Å; Q15-I19 VanDerWaalsContact O-CG1 3.28Å; Q15-I19 WeakPolarHBondContact O-CG1 3.27Å; Q15-I19 PolarHBondContact O-N 2.98Å; Q15-Y179 VanDerWaalsContact CG-OH 3.28Å; Q15-Y179 WeakPolarHBondContact CG-OH 3.19Å; Q15-Y179 PolarHBondContact NE2-OH 3.22Å; Q15-Y179 VanDerWaalsContact NE2-OH 3.13Å
16E88.6Confident82.8Confident69 Ų6991 Ų9132%0.32245%0.447SS..Hα-helixtrans-68.5-36.4178.9-64.5-62.9151.200112.4Y10 S14 Q20 K182Y10-E16 HydrophobicContact CD1-CB 3.51Å; Y10-E16 HydrophobicContact CD1-CG 4.22Å; Y10-E16 HydrophobicContact CD2-CB 4.14Å; Y10-E16 HydrophobicContact CE1-CB 3.67Å; Y10-E16 HydrophobicContact CE1-CG 4.02Å; Y10-E16 HydrophobicContact CE2-CB 4.27Å; Y10-E16 HydrophobicContact CG-CB 3.77Å; S14-E16 PolarHBondContact O-N 2.86Å; E16-Q20 VanDerWaalsContact O-CB 3.29Å; E16-Q20 WeakPolarHBondContact O-CB 3.44Å; E16-Q20 PolarHBondContact O-N 3.46Å; E16-K182 IonicContact OE1-NZ 2.88Å; E16-K182 PolarHBondContact OE1-NZ 2.67Å; E16-K182 IonicContact OE2-NZ 2.89Å; E16-K182 PolarHBondContact OE2-NZ 2.64Å
17F89.8Confident85.3Confident42 Ų4284.6 Ų84.618%0.18443%0.426CS..Hα-helixtrans-65-46.7173.4-179.2-86.8000111.4P11 F12 S14 I19 Q20 N21 I25P11-F17 WeakPolarHBondContact O-CB 3.45Å; F12-F17 HydrophobicContact CD1-CD2 4.4Å; F12-F17 AromaticContact CD1-CE1 3.97Å; F12-F17 HydrophobicContact CD1-CE1 3.97Å; F12-F17 AromaticContact CD1-CE2 3.68Å; F12-F17 HydrophobicContact CD1-CE2 3.68Å; F12-F17 AromaticContact CD1-CZ 3.45Å; F12-F17 HydrophobicContact CD1-CZ 3.45Å; F12-F17 VanDerWaalsContact CD1-CZ 3.45Å; F12-F17 AromaticContact CE1-CE2 3.94Å; F12-F17 HydrophobicContact CE1-CE2 3.94Å; F12-F17 AromaticContact CE1-CZ 3.83Å; F12-F17 HydrophobicContact CE1-CZ 3.83Å; F12-F17 WeakPolarHBondContact O-CD1 3.08Å; S14-F17 WeakPolarHBondContact O-CB 3.27Å; S14-F17 PolarHBondContact O-N 3.06Å; S14-F17 WeakPolarHBondContact OG-CB 3.28Å; S14-F17 PolarHBondContact OG-N 3.13Å; F17-I19 PolarHBondContact O-N 2.8Å; F17-Q20 PolarHBondContact O-N 3Å; F17-N21 WeakPolarHBondContact CD2-ND2 3.41Å; F17-N21 HydrophobicContact CE1-CB 4.42Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.45Å; F17-N21 HydrophobicContact CZ-CB 4.42Å; F17-N21 PolarHBondContact O-N 3.46Å; F17-N21 PolarHBondContact O-ND2 2.98Å; F17-I25 HydrophobicContact CE1-CD1 4.39Å
18L89.1Confident87.4Confident81 Ų8181.3 Ų81.342%0.42441%0.414SS..Hα-helixtrans-62-46.2178.9-173.6151.8000111.2S14 Q15 Q20 N21 H22 F180S14-L18 PolarHBondContact O-N 2.69Å; S14-L18 VanDerWaalsContact O-N 3.12Å; Q15-L18 PolarHBondContact O-N 3.43Å; L18-Q20 VanDerWaalsContact C-N 3.33Å; L18-Q20 PolarHBondContact O-N 3.5Å; L18-N21 PolarHBondContact O-N 3.3Å; L18-H22 WeakPolarHBondContact O-CA 3.35Å; L18-H22 WeakPolarHBondContact O-CB 3.39Å; L18-H22 PolarHBondContact O-N 2.98Å; L18-F180 HydrophobicContact CD2-CD1 4.47Å; L18-F180 HydrophobicContact CD2-CE1 3.74Å
19I89.9Confident89.1Confident17 Ų1778 Ų789%0.08740%0.403CS..Hα-helixtrans-63.6-38.3178-69.4171.7000111.5Q15 F17 H22 Y179 F180 K182Q15-I19 HydrophobicContact CG-CD1 3.68Å; Q15-I19 HydrophobicContact CG-CG1 4.42Å; Q15-I19 WeakPolarHBondContact O-CB 3.29Å; Q15-I19 VanDerWaalsContact O-CG1 3.28Å; Q15-I19 WeakPolarHBondContact O-CG1 3.27Å; Q15-I19 PolarHBondContact O-N 2.98Å; F17-I19 PolarHBondContact O-N 2.8Å; I19-H22 PolarHBondContact O-ND1 3.03Å; I19-Y179 HydrophobicContact CD1-CD1 4.36Å; I19-Y179 HydrophobicContact CD1-CE1 3.87Å; I19-Y179 HydrophobicContact CG1-CD1 4.26Å; I19-Y179 HydrophobicContact CG1-CE1 3.81Å; I19-F180 HydrophobicContact CG1-CD1 4.35Å; I19-F180 VanDerWaalsContact CG2-O 3.27Å; I19-F180 WeakPolarHBondContact CG2-O 3.28Å; I19-K182 HydrophobicContact CD1-CG 4.41Å
20Q88.4Confident90.3Very high111 Ų11172.6 Ų72.652%0.51937%0.365SS..Hα-helixtrans-72.5-36.7-179.6-177.2172.7-22.300113.2E16 F17 L18E16-Q20 VanDerWaalsContact O-CB 3.29Å; E16-Q20 WeakPolarHBondContact O-CB 3.44Å; E16-Q20 PolarHBondContact O-N 3.46Å; F17-Q20 PolarHBondContact O-N 3Å; L18-Q20 VanDerWaalsContact C-N 3.33Å; L18-Q20 PolarHBondContact O-N 3.5Å
21N91.9Very high91.1Very high38 Ų3872.4 Ų72.420%0.20337%0.367CS..Hα-helixtrans-109.215-172.4-51.1-88.3000113F17 L18 A23 D24 I25F17-N21 WeakPolarHBondContact CD2-ND2 3.41Å; F17-N21 HydrophobicContact CE1-CB 4.42Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.45Å; F17-N21 HydrophobicContact CZ-CB 4.42Å; F17-N21 PolarHBondContact O-N 3.46Å; F17-N21 PolarHBondContact O-ND2 2.98Å; L18-N21 PolarHBondContact O-N 3.3Å; N21-A23 PolarHBondContact O-N 3.46Å; N21-D24 PolarHBondContact O-N 3.4Å; N21-D24 VanDerWaalsContact O-N 3.11Å; N21-I25 HydrophobicContact CB-CD1 4.28Å; N21-I25 VanDerWaalsContact O-CG1 3.31Å; N21-I25 WeakPolarHBondContact O-CG1 3.21Å; N21-I25 PolarHBondContact O-N 2.74Å
22H93.6Very high91.6Very high28 Ų2875.4 Ų75.413%0.1337%0.371CS..Hα-helixtrans-54.4-40.1-175.367.3-84.7000112.5L18 I19 I25 V26 F180L18-H22 WeakPolarHBondContact O-CA 3.35Å; L18-H22 WeakPolarHBondContact O-CB 3.39Å; L18-H22 PolarHBondContact O-N 2.98Å; I19-H22 PolarHBondContact O-ND1 3.03Å; H22-I25 PolarHBondContact O-N 3.09Å; H22-V26 WeakPolarHBondContact O-CB 3.33Å; H22-V26 VanDerWaalsContact O-CG2 3.23Å; H22-V26 WeakPolarHBondContact O-CG2 3.26Å; H22-V26 PolarHBondContact O-N 3.43Å; H22-F180 HydrophobicContact CB-CD1 4.27Å; H22-F180 HydrophobicContact CB-CD2 4.33Å; H22-F180 HydrophobicContact CB-CE1 4.05Å; H22-F180 HydrophobicContact CB-CE2 4.09Å; H22-F180 HydrophobicContact CB-CG 4.43Å; H22-F180 HydrophobicContact CB-CZ 3.95Å; H22-F180 AromaticContact CD2-CD2 3.72Å; H22-F180 AromaticContact CD2-CE2 3.92Å; H22-F180 AromaticContact CG-CD2 3.91Å
23A93.3Very high92.4Very high19 Ų1969 Ų6916%0.15734%0.344CS..Hα-helixtrans-63.2-45.6178.300000112.3N21 V26 F27 A90N21-A23 PolarHBondContact O-N 3.46Å; A23-V26 PolarHBondContact O-N 3.47Å; A23-F27 WeakPolarHBondContact O-CB 3.31Å; A23-F27 PolarHBondContact O-N 2.99Å; A23-A90 HydrophobicContact CB-CB 3.47Å; A23-A90 VanDerWaalsContact CB-CB 3.47Å
24D94.3Very high93Very high100 Ų10062 Ų6254%0.53532%0.316SS..Hα-helixtrans-69.2-37.1179.4-59.4-46.8000112.3N21 S28N21-D24 PolarHBondContact O-N 3.4Å; N21-D24 VanDerWaalsContact O-N 3.11Å; D24-S28 WeakPolarHBondContact O-CB 3.23Å; D24-S28 PolarHBondContact O-N 2.79Å; D24-S28 PolarHBondContact O-OG 2.91Å
25I94.2Very high93.4Very high71 Ų7164.4 Ų64.436%0.36433%0.326SS..Hα-helixtrans-63.7-48.7175.3-66.4164.7000109.6F17 N21 H22 S28 L29F17-I25 HydrophobicContact CE1-CD1 4.39Å; N21-I25 HydrophobicContact CB-CD1 4.28Å; N21-I25 VanDerWaalsContact O-CG1 3.31Å; N21-I25 WeakPolarHBondContact O-CG1 3.21Å; N21-I25 PolarHBondContact O-N 2.74Å; H22-I25 PolarHBondContact O-N 3.09Å; I25-S28 WeakPolarHBondContact O-CB 3.35Å; I25-S28 PolarHBondContact O-N 3.29Å; I25-L29 PolarHBondContact O-N 3.29Å
26V95.6Very high93.5Very high14 Ų1459.9 Ų59.99%0.08531%0.308CS..Hα-helixtrans-69-37.1179.5174.60000111.4H22 A23 S28 L29 V30 F83 I86 I87H22-V26 WeakPolarHBondContact O-CB 3.33Å; H22-V26 VanDerWaalsContact O-CG2 3.23Å; H22-V26 WeakPolarHBondContact O-CG2 3.26Å; H22-V26 PolarHBondContact O-N 3.43Å; A23-V26 PolarHBondContact O-N 3.47Å; V26-S28 VanDerWaalsContact C-N 3.33Å; V26-S28 PolarHBondContact O-N 2.97Å; V26-L29 WeakPolarHBondContact O-CB 3.31Å; V26-L29 PolarHBondContact O-N 3.29Å; V26-V30 PolarHBondContact O-N 3.49Å; V26-F83 HydrophobicContact CG1-CB 3.48Å; V26-F83 VanDerWaalsContact CG1-CB 3.48Å; V26-F83 HydrophobicContact CG1-CD1 3.76Å; V26-F83 HydrophobicContact CG1-CG 3.92Å; V26-F83 WeakPolarHBondContact CG1-O 3.42Å; V26-I86 HydrophobicContact CB-CG2 4.35Å; V26-I86 HydrophobicContact CG1-CB 4.29Å; V26-I86 HydrophobicContact CG1-CG2 4.34Å; V26-I86 HydrophobicContact CG2-CD1 4.44Å; V26-I86 HydrophobicContact CG2-CG2 4.22Å; V26-I87 HydrophobicContact CB-CG1 4.47Å; V26-I87 HydrophobicContact CG1-CD1 4.18Å; V26-I87 HydrophobicContact CG1-CG1 4.08Å
27F96.2Very high93.8Very high103 Ų10360.1 Ų60.145%0.45231%0.311SS..Hα-helixtrans-59.1-43171179.8-100.9000112A23 L29 V30 I31 I87A23-F27 WeakPolarHBondContact O-CB 3.31Å; A23-F27 PolarHBondContact O-N 2.99Å; F27-L29 VanDerWaalsContact C-N 3.3Å; F27-L29 PolarHBondContact O-N 3.18Å; F27-V30 PolarHBondContact O-N 2.95Å; F27-I31 HydrophobicContact CD1-CG1 4.05Å; F27-I31 HydrophobicContact CD2-CG1 4.43Å; F27-I31 HydrophobicContact CE1-CD1 4.15Å; F27-I31 HydrophobicContact CE1-CG1 3.65Å; F27-I31 HydrophobicContact CE2-CD1 4.1Å; F27-I31 HydrophobicContact CE2-CG1 4.07Å; F27-I31 HydrophobicContact CG-CG1 4.42Å; F27-I31 HydrophobicContact CZ-CD1 3.69Å; F27-I31 HydrophobicContact CZ-CG1 3.66Å; F27-I31 VanDerWaalsContact O-CG1 3.32Å; F27-I31 WeakPolarHBondContact O-CG1 3.42Å; F27-I31 PolarHBondContact O-N 3.2Å; F27-I87 HydrophobicContact CB-CD1 4.08Å; F27-I87 HydrophobicContact CB-CG1 4.25Å; F27-I87 HydrophobicContact CD2-CD1 4.26Å; F27-I87 HydrophobicContact CD2-CG2 4.49Å
28S96.1Very high94Very high75 Ų7565.3 Ų65.352%0.52434%0.338SS..Hα-helixtrans-60.2-38.3175-57.10000112.4D24 I25 V26 I31 F32D24-S28 WeakPolarHBondContact O-CB 3.23Å; D24-S28 PolarHBondContact O-N 2.79Å; D24-S28 PolarHBondContact O-OG 2.91Å; I25-S28 WeakPolarHBondContact O-CB 3.35Å; I25-S28 PolarHBondContact O-N 3.29Å; V26-S28 VanDerWaalsContact C-N 3.33Å; V26-S28 PolarHBondContact O-N 2.97Å; S28-I31 PolarHBondContact O-N 2.94Å; S28-F32 WeakPolarHBondContact O-CB 3.05Å; S28-F32 PolarHBondContact O-N 3.04Å
29L95.6Very high94.3Very high80 Ų8067.6 Ų67.642%0.41934%0.344SS..Hα-helixtrans-66.7-41.2174.5-64.6174.1000112.4I25 V26 F27 F32 I33I25-L29 PolarHBondContact O-N 3.29Å; V26-L29 WeakPolarHBondContact O-CB 3.31Å; V26-L29 PolarHBondContact O-N 3.29Å; F27-L29 VanDerWaalsContact C-N 3.3Å; F27-L29 PolarHBondContact O-N 3.18Å; L29-F32 PolarHBondContact O-N 2.94Å; L29-I33 WeakPolarHBondContact O-CG1 3.43Å; L29-I33 PolarHBondContact O-N 3.43Å; L29-I33 VanDerWaalsContact O-N 3.12Å
30V96.8Very high94.4Very high5 Ų574.9 Ų74.93%0.0338%0.378CS..Hα-helixtrans-62.9-46.2175.1169.40000110.8V26 F27 F32 I33 L34 F80 F83 I84 I87V26-V30 PolarHBondContact O-N 3.49Å; F27-V30 PolarHBondContact O-N 2.95Å; V30-F32 VanDerWaalsContact C-N 3.31Å; V30-F32 PolarHBondContact O-N 3.04Å; V30-I33 PolarHBondContact O-N 3.12Å; V30-L34 HydrophobicContact CG1-CD1 3.95Å; V30-L34 HydrophobicContact CG1-CG 4.39Å; V30-L34 WeakPolarHBondContact O-CG 3.37Å; V30-L34 PolarHBondContact O-N 2.83Å; V30-F80 HydrophobicContact CG1-CE2 4.11Å; V30-F80 HydrophobicContact CG1-CZ 4.16Å; V30-F83 HydrophobicContact CG2-CB 3.62Å; V30-I84 HydrophobicContact CG1-CD1 3.67Å; V30-I84 HydrophobicContact CG2-CD1 4.02Å; V30-I87 HydrophobicContact CB-CD1 4.26Å; V30-I87 HydrophobicContact CG2-CD1 3.75Å
31I96.7Very high94.5Very high62 Ų6274.1 Ų74.132%0.31839%0.391SS..Hα-helixtrans-62.5-38.4177.6-66.3-71.3000111.2F27 S28 I33 L34 I35F27-I31 HydrophobicContact CD1-CG1 4.05Å; F27-I31 HydrophobicContact CD2-CG1 4.43Å; F27-I31 HydrophobicContact CE1-CD1 4.15Å; F27-I31 HydrophobicContact CE1-CG1 3.65Å; F27-I31 HydrophobicContact CE2-CD1 4.1Å; F27-I31 HydrophobicContact CE2-CG1 4.07Å; F27-I31 HydrophobicContact CG-CG1 4.42Å; F27-I31 HydrophobicContact CZ-CD1 3.69Å; F27-I31 HydrophobicContact CZ-CG1 3.66Å; F27-I31 VanDerWaalsContact O-CG1 3.32Å; F27-I31 WeakPolarHBondContact O-CG1 3.42Å; F27-I31 PolarHBondContact O-N 3.2Å; S28-I31 PolarHBondContact O-N 2.94Å; I31-I33 PolarHBondContact O-N 2.99Å; I31-L34 HydrophobicContact CD1-CD1 4.39Å; I31-L34 PolarHBondContact O-N 3.36Å; I31-I35 HydrophobicContact CG2-CD1 3.76Å; I31-I35 HydrophobicContact CG2-CG1 4.29Å; I31-I35 WeakPolarHBondContact O-CB 3.42Å; I31-I35 VanDerWaalsContact O-CG1 3.3Å; I31-I35 WeakPolarHBondContact O-CG1 3.44Å; I31-I35 PolarHBondContact O-N 3.11Å
32F95.6Very high94.7Very high156 Ų15675.2 Ų75.268%0.68440%0.399SS*.Hα-helixtrans-59.7-44.3173.4178.6-100.6000112.4S28 L29 V30 I35 G36S28-F32 WeakPolarHBondContact O-CB 3.05Å; S28-F32 PolarHBondContact O-N 3.04Å; L29-F32 PolarHBondContact O-N 2.94Å; V30-F32 VanDerWaalsContact C-N 3.31Å; V30-F32 PolarHBondContact O-N 3.04Å; F32-I35 PolarHBondContact O-N 3.18Å; F32-G36 PolarHBondContact O-N 3.12Å; F32-G36 VanDerWaalsContact O-N 3.09Å
33I94.6Very high94.7Very high26 Ų2674.7 Ų74.713%0.13340%0.4CS..Hα-helixtrans-64.3-40.7175.5-65.2168.6000111.1L29 V30 I31 G36 A46 F49 I50 F80L29-I33 WeakPolarHBondContact O-CG1 3.43Å; L29-I33 PolarHBondContact O-N 3.43Å; L29-I33 VanDerWaalsContact O-N 3.12Å; V30-I33 PolarHBondContact O-N 3.12Å; I31-I33 PolarHBondContact O-N 2.99Å; I33-G36 WeakPolarHBondContact O-CA 3.45Å; I33-G36 PolarHBondContact O-N 3.37Å; I33-G36 VanDerWaalsContact O-N 3.13Å; I33-A46 HydrophobicContact CG2-CB 4.39Å; I33-A46 WeakPolarHBondContact O-CB 3.39Å; I33-F49 HydrophobicContact CG2-CB 4.12Å; I33-I50 HydrophobicContact CG2-CD1 4.32Å; I33-I50 HydrophobicContact CG2-CG1 4.44Å; I33-F80 HydrophobicContact CB-CD2 4.48Å; I33-F80 HydrophobicContact CB-CE2 4.19Å; I33-F80 HydrophobicContact CD1-CD2 3.93Å; I33-F80 HydrophobicContact CD1-CE2 4.37Å; I33-F80 HydrophobicContact CG2-CD2 4.02Å; I33-F80 HydrophobicContact CG2-CE2 3.87Å
34L95.2Very high94.6Very high68 Ų6882 Ų8236%0.35643%0.428SS..Hα-helixtrans-67.4-39.7178.1-68.3173.7000112.7V30 I31 G36 L37 I50 F80V30-L34 HydrophobicContact CG1-CD1 3.95Å; V30-L34 HydrophobicContact CG1-CG 4.39Å; V30-L34 WeakPolarHBondContact O-CG 3.37Å; V30-L34 PolarHBondContact O-N 2.83Å; I31-L34 HydrophobicContact CD1-CD1 4.39Å; I31-L34 PolarHBondContact O-N 3.36Å; L34-G36 PolarHBondContact O-N 3.18Å; L34-L37 HydrophobicContact CD2-CD1 4.33Å; L34-L37 VanDerWaalsContact O-CB 3.31Å; L34-L37 WeakPolarHBondContact O-CB 3.47Å; L34-L37 PolarHBondContact O-N 3.18Å; L34-I50 HydrophobicContact CD2-CD1 3.82Å; L34-F80 HydrophobicContact CD2-CZ 4.33Å
35I95.8Very high94.5Very high80 Ų8081.3 Ų81.341%0.4143%0.427SS..Hα-helixtrans-60.8-32.5170.8-70.5167.4000110.4I31 F32 L37 M38 F39I31-I35 HydrophobicContact CG2-CD1 3.76Å; I31-I35 HydrophobicContact CG2-CG1 4.29Å; I31-I35 WeakPolarHBondContact O-CB 3.42Å; I31-I35 VanDerWaalsContact O-CG1 3.3Å; I31-I35 WeakPolarHBondContact O-CG1 3.44Å; I31-I35 PolarHBondContact O-N 3.11Å; F32-I35 PolarHBondContact O-N 3.18Å; I35-L37 PolarHBondContact O-N 2.85Å; I35-L37 VanDerWaalsContact O-N 3.13Å; I35-M38 WeakPolarHBondContact O-CB 3.46Å; I35-M38 PolarHBondContact O-N 2.65Å; I35-F39 HydrophobicContact CG2-CE2 3.92Å
36G92.9Very high94.5Very high13 Ų1378.2 Ų78.213%0.13441%0.412CS..G310 helixtrans-56.9-21.5171.700000114.8F32 I33 L34 M38 T42 A43F32-G36 PolarHBondContact O-N 3.12Å; F32-G36 VanDerWaalsContact O-N 3.09Å; I33-G36 WeakPolarHBondContact O-CA 3.45Å; I33-G36 PolarHBondContact O-N 3.37Å; I33-G36 VanDerWaalsContact O-N 3.13Å; L34-G36 PolarHBondContact O-N 3.18Å; G36-M38 VanDerWaalsContact C-N 3.34Å; G36-T42 CarbonylContact O-C 3.25Å; G36-T42 WeakPolarHBondContact O-CB 3.43Å; G36-T42 PolarHBondContact O-OG1 3.01Å; G36-A43 WeakPolarHBondContact O-CA 3.42Å; G36-A43 PolarHBondContact O-N 3.44Å; G36-A43 VanDerWaalsContact O-N 3.07Å
37L93.7Very high94.4Very high73 Ų7380.7 Ų80.738%0.38243%0.425SS..G310 helixtrans-74.2-22171.7-66.3173.3000113.6L34 I35 F39 A46 I47 I50L34-L37 HydrophobicContact CD2-CD1 4.33Å; L34-L37 VanDerWaalsContact O-CB 3.31Å; L34-L37 WeakPolarHBondContact O-CB 3.47Å; L34-L37 PolarHBondContact O-N 3.18Å; I35-L37 PolarHBondContact O-N 2.85Å; I35-L37 VanDerWaalsContact O-N 3.13Å; L37-F39 VanDerWaalsContact C-N 3.28Å; L37-F39 PolarHBondContact O-N 3.5Å; L37-A46 HydrophobicContact CD2-CB 3.72Å; L37-A46 HydrophobicContact CG-CB 3.98Å; L37-I47 HydrophobicContact CD2-CG1 3.76Å; L37-I50 HydrophobicContact CD1-CD1 3.6Å; L37-I50 HydrophobicContact CD2-CD1 4.11Å; L37-I50 HydrophobicContact CG-CD1 3.94Å
38M94.7Very high94.3Very high152 Ų15278 Ų7875%0.74941%0.414SS*.G310 helixtrans-76.6-14.9-174.7-59.2-1776700113.4I35 G36I35-M38 WeakPolarHBondContact O-CB 3.46Å; I35-M38 PolarHBondContact O-N 2.65Å; G36-M38 VanDerWaalsContact C-N 3.34Å
39F94.6Very high94.2Very high128 Ų12876.8 Ų76.856%0.56140%0.4SS*.SBendtrans-117.8127.8180-52.4-88.7000110.4I35 L37 A41 T42 A43I35-F39 HydrophobicContact CG2-CE2 3.92Å; L37-F39 VanDerWaalsContact C-N 3.28Å; L37-F39 PolarHBondContact O-N 3.5Å; F39-A41 PolarHBondContact O-N 2.93Å; F39-A41 VanDerWaalsContact O-N 3.16Å; F39-T42 PolarHBondContact O-N 2.77Å; F39-T42 PolarHBondContact O-OG1 3.46Å; F39-A43 WeakPolarHBondContact O-CB 3.42Å; F39-A43 PolarHBondContact O-N 3.28Å
40E91.8Very high94.2Very high170 Ų17074.4 Ų74.479%0.79439%0.388SS*.Hα-helixtrans-53.7-39.4-176.7-171.8-177.317200113.1T42E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 2.88Å
41A92.5Very high94.1Very high95 Ų9579.5 Ų79.579%0.78541%0.411SS*.Hα-helixtrans-64-33.7179.300000113.6F39F39-A41 PolarHBondContact O-N 2.93Å; F39-A41 VanDerWaalsContact O-N 3.16Å
42T94.2Very high93.9Very high61 Ų6176.9 Ų76.937%0.37440%0.398SS..Hα-helixtrans-100.3-18.8-178.651.10000113.3G36 F39 E40 K44 T45 A46G36-T42 CarbonylContact O-C 3.25Å; G36-T42 WeakPolarHBondContact O-CB 3.43Å; G36-T42 PolarHBondContact O-OG1 3.01Å; F39-T42 PolarHBondContact O-N 2.77Å; F39-T42 PolarHBondContact O-OG1 3.46Å; E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 2.88Å; T42-K44 VanDerWaalsContact C-N 3.31Å; T42-K44 PolarHBondContact O-N 3.11Å; T42-T45 WeakPolarHBondContact O-CA 3.45Å; T42-T45 WeakPolarHBondContact O-CB 3.46Å; T42-T45 PolarHBondContact O-N 3.18Å; T42-A46 PolarHBondContact O-N 2.8Å
43A93.6Very high93.8Very high18 Ų1870.7 Ų70.715%0.14937%0.371CS..Hα-helixtrans-57.6-41.8-174.900000112.6G36 F39 T45 A46 I47G36-A43 WeakPolarHBondContact O-CA 3.42Å; G36-A43 PolarHBondContact O-N 3.44Å; G36-A43 VanDerWaalsContact O-N 3.07Å; F39-A43 WeakPolarHBondContact O-CB 3.42Å; F39-A43 PolarHBondContact O-N 3.28Å; A43-T45 VanDerWaalsContact C-N 3.25Å; A43-T45 PolarHBondContact O-N 3.2Å; A43-A46 PolarHBondContact O-N 3.35Å; A43-A46 VanDerWaalsContact O-N 3.17Å; A43-I47 WeakPolarHBondContact O-CD1 3.19Å; A43-I47 VanDerWaalsContact O-CG1 3.24Å; A43-I47 WeakPolarHBondContact O-CG1 3.45Å; A43-I47 PolarHBondContact O-N 3.22Å
44K91.8Very high93.8Very high171 Ų17172.6 Ų72.674%0.74338%0.377SS*.Hα-helixtrans-58-37.4176.2-67.1178-178172.10112.5T42T42-K44 VanDerWaalsContact C-N 3.31Å; T42-K44 PolarHBondContact O-N 3.11Å
45T93.4Very high93.7Very high86 Ų8674.1 Ų74.153%0.52839%0.386SS..Hα-helixtrans-76.4-39.8176.5-53.40000111.5T42 A43 L48 F49T42-T45 WeakPolarHBondContact O-CA 3.45Å; T42-T45 WeakPolarHBondContact O-CB 3.46Å; T42-T45 PolarHBondContact O-N 3.18Å; A43-T45 VanDerWaalsContact C-N 3.25Å; A43-T45 PolarHBondContact O-N 3.2Å; T45-L48 WeakPolarHBondContact O-CB 3.39Å; T45-L48 PolarHBondContact O-N 2.91Å; T45-F49 HydrophobicContact CG2-CE2 4.39Å; T45-F49 VanDerWaalsContact O-CD2 3.29Å; T45-F49 WeakPolarHBondContact O-CD2 3.47Å
46A93.9Very high93.4Very high6 Ų673.1 Ų73.15%0.0538%0.381CS..Hα-helixtrans-65.9-37.8177.700000112.8I33 L37 T42 A43 L48 F49 I50I33-A46 HydrophobicContact CG2-CB 4.39Å; I33-A46 WeakPolarHBondContact O-CB 3.39Å; L37-A46 HydrophobicContact CD2-CB 3.72Å; L37-A46 HydrophobicContact CG-CB 3.98Å; T42-A46 PolarHBondContact O-N 2.8Å; A43-A46 PolarHBondContact O-N 3.35Å; A43-A46 VanDerWaalsContact O-N 3.17Å; A46-L48 VanDerWaalsContact C-N 3.27Å; A46-L48 PolarHBondContact O-N 3.49Å; A46-F49 WeakPolarHBondContact O-CB 3.33Å; A46-F49 PolarHBondContact O-N 2.79Å; A46-F49 VanDerWaalsContact O-N 3.11Å; A46-I50 WeakPolarHBondContact O-CG1 3.44Å; A46-I50 PolarHBondContact O-N 3.38Å
47I93.8Very high93.1Very high66 Ų6675.4 Ų75.434%0.33839%0.394SS..Hα-helixtrans-60.9-34.6178.1-70.7164.5000112.2L37 A43 F49 I50 Q51L37-I47 HydrophobicContact CD2-CG1 3.76Å; A43-I47 WeakPolarHBondContact O-CD1 3.19Å; A43-I47 VanDerWaalsContact O-CG1 3.24Å; A43-I47 WeakPolarHBondContact O-CG1 3.45Å; A43-I47 PolarHBondContact O-N 3.22Å; I47-F49 PolarHBondContact O-N 3.37Å; I47-I50 PolarHBondContact O-N 2.81Å; I47-I50 VanDerWaalsContact O-N 3.12Å; I47-Q51 HydrophobicContact CG2-CB 4.46Å; I47-Q51 HydrophobicContact CG2-CG 4.47Å; I47-Q51 PolarHBondContact O-N 3.15Å
48L93.1Very high92.5Very high46 Ų4674.8 Ų74.824%0.24139%0.394CS..Hα-helixtrans-55.2-35.3175.1179.863.1000112.8T45 A46 Q53 R73 A76 T77T45-L48 WeakPolarHBondContact O-CB 3.39Å; T45-L48 PolarHBondContact O-N 2.91Å; A46-L48 VanDerWaalsContact C-N 3.27Å; A46-L48 PolarHBondContact O-N 3.49Å; L48-Q53 HydrophobicContact CD1-CG 4.02Å; L48-R73 HydrophobicContact CD1-CB 3.88Å; L48-R73 HydrophobicContact CD1-CG 4.11Å; L48-A76 HydrophobicContact CD1-CB 4.38Å; L48-A76 HydrophobicContact CD2-CB 4.32Å; L48-A76 HydrophobicContact CG-CB 3.81Å; L48-T77 PolarHBondContact O-OG1 3.22Å
49F94.6Very high91.8Very high51 Ų5176.2 Ų76.222%0.22440%0.399CS..Hα-helixtrans-82.3-32.1178.5-73.1-81.4000112.7I33 T45 A46 I47 A76 T77 L79 F80I33-F49 HydrophobicContact CG2-CB 4.12Å; T45-F49 HydrophobicContact CG2-CE2 4.39Å; T45-F49 VanDerWaalsContact O-CD2 3.29Å; T45-F49 WeakPolarHBondContact O-CD2 3.47Å; A46-F49 WeakPolarHBondContact O-CB 3.33Å; A46-F49 PolarHBondContact O-N 2.79Å; A46-F49 VanDerWaalsContact O-N 3.11Å; I47-F49 PolarHBondContact O-N 3.37Å; F49-A76 HydrophobicContact CD1-CB 4.01Å; F49-A76 VanDerWaalsContact CD1-O 3.29Å; F49-A76 WeakPolarHBondContact CD1-O 3.37Å; F49-A76 HydrophobicContact CE1-CB 4Å; F49-A76 HydrophobicContact CG-CB 4.48Å; F49-A76 HydrophobicContact CZ-CB 4.48Å; F49-T77 WeakPolarHBondContact O-CA 3.27Å; F49-L79 HydrophobicContact CE1-CD2 4.38Å; F49-F80 HydrophobicContact CB-CB 3.92Å; F49-F80 HydrophobicContact CB-CD2 4.13Å; F49-F80 HydrophobicContact CB-CG 4.16Å; F49-F80 HydrophobicContact CD1-CB 4.35Å; F49-F80 WeakPolarHBondContact O-CB 3.26Å; F49-F80 WeakPolarHBondContact O-CG 3.39Å
50I94.8Very high90.8Very high30 Ų3072.2 Ų72.215%0.15439%0.386CS..Hα-helixtrans-94.1-37.1-166.7-63.4168.5000112.4I33 L34 L37 A46 I47 F80 Y81I33-I50 HydrophobicContact CG2-CD1 4.32Å; I33-I50 HydrophobicContact CG2-CG1 4.44Å; L34-I50 HydrophobicContact CD2-CD1 3.82Å; L37-I50 HydrophobicContact CD1-CD1 3.6Å; L37-I50 HydrophobicContact CD2-CD1 4.11Å; L37-I50 HydrophobicContact CG-CD1 3.94Å; A46-I50 WeakPolarHBondContact O-CG1 3.44Å; A46-I50 PolarHBondContact O-N 3.38Å; I47-I50 PolarHBondContact O-N 2.81Å; I47-I50 VanDerWaalsContact O-N 3.12Å; I50-F80 HydrophobicContact CD1-CZ 4.48Å; I50-F80 HydrophobicContact CG1-CD1 4.31Å; I50-F80 HydrophobicContact CG1-CD2 4.42Å; I50-F80 HydrophobicContact CG1-CE1 3.95Å; I50-F80 HydrophobicContact CG1-CE2 4.06Å; I50-F80 HydrophobicContact CG1-CZ 3.82Å; I50-Y81 WeakPolarHBondContact O-CE2 3.4Å; I50-Y81 PolarHBondContact O-OH 3.49Å; I50-Y81 VanDerWaalsContact O-OH 3.07Å
51Q94.1Very high90Very high111 Ų11170.8 Ų70.852%0.51939%0.392SS..SBendtrans-105.2149.2-174.9-65.8-177.2-8.900111.9I47 Q53 T77I47-Q51 HydrophobicContact CG2-CB 4.46Å; I47-Q51 HydrophobicContact CG2-CG 4.47Å; I47-Q51 PolarHBondContact O-N 3.15Å; Q51-Q53 PolarHBondContact O-N 3.12Å; Q51-Q53 PolarHBondContact O-NE2 2.83Å; Q51-T77 PolarHBondContact O-OG1 3.44Å
52P93.8Very high89.2Confident8 Ų875.3 Ų75.35%0.05240%0.397CS..  trans-58.8135.7167.5-21.433.8000110.9Y68 F158 K161 F162 L165P52-Y68 HydrophobicContact CB-CD1 4.02Å; P52-Y68 HydrophobicContact CB-CE1 4.05Å; P52-Y68 WeakPolarHBondContact O-CE1 3.48Å; P52-F158 HydrophobicContact CG-CD2 3.92Å; P52-F158 HydrophobicContact CG-CE2 3.62Å; P52-F158 HydrophobicContact CG-CZ 4.48Å; P52-K161 HydrophobicContact CB-CD 3.92Å; P52-K161 HydrophobicContact CB-CG 4.21Å; P52-F162 HydrophobicContact CG-CB 4.13Å; P52-F162 HydrophobicContact CG-CD2 4.06Å; P52-F162 HydrophobicContact CG-CG 4.4Å; P52-L165 HydrophobicContact CB-CD1 4.32Å
53Q93.6Very high88.5Confident25 Ų2574 Ų7412%0.11740%0.395CS..SBendtrans-89.3176.8-172.8-59.7-63.1-61.400112L48 Q51 N55 Y68 R73 D74 K161L48-Q53 HydrophobicContact CD1-CG 4.02Å; Q51-Q53 PolarHBondContact O-N 3.12Å; Q51-Q53 PolarHBondContact O-NE2 2.83Å; Q53-N55 PolarHBondContact O-N 3.48Å; Q53-Y68 WeakPolarHBondContact O-CD1 3.18Å; Q53-R73 HydrophobicContact CB-CB 4.07Å; Q53-R73 HydrophobicContact CG-CB 3.91Å; Q53-D74 WeakPolarHBondContact CB-OD1 3.46Å; Q53-D74 PolarHBondContact N-OD1 3.45Å; Q53-K161 PolarHBondContact O-NZ 3.32Å
54Y93.2Very high88Confident67 Ų6779.4 Ų79.426%0.26342%0.418SS..  trans58.945.8175.1-49-87000114Y68 Q69 G71 W72 R73Y54-Y68 WeakPolarHBondContact O-CA 3.33Å; Y54-Q69 PolarHBondContact O-N 3.16Å; Y54-Q69 VanDerWaalsContact O-N 3.13Å; Y54-G71 VanDerWaalsContact CE2-C 3.43Å; Y54-W72 VanDerWaalsContact OH-CD1 3.27Å; Y54-W72 PolarHBondContact OH-N 3.3Å; Y54-R73 HydrophobicContact CE2-CB 3.74Å; Y54-R73 HydrophobicContact CE2-CG 4.43Å; Y54-R73 WeakPolarHBondContact OH-CG 3.28Å; Y54-R73 PolarHBondContact OH-N 3.39Å
55N92.9Very high87.7Confident100 Ų10073.3 Ų73.354%0.53540%0.395SS..EExtended strand (participates in β ladder)trans-71.6139.7171.165.8-64.7000110.9Q53 T66 L67 Y68Q53-N55 PolarHBondContact O-N 3.48Å; N55-T66 HydrophobicContact CB-CG2 3.88Å; N55-L67 CarbonylContact C-O 3.5Å; N55-L67 WeakPolarHBondContact CA-O 3.39Å; N55-Y68 HydrophobicContact CB-CD1 3.99Å; N55-Y68 HydrophobicContact CB-CE1 3.67Å
56I89.9Confident87.6Confident59 Ų5971.9 Ų71.930%0.30339%0.386SS..EExtended strand (participates in β ladder)trans-130.8118.1176.6-58.3-179.7000106.9T58 L67 Q69I56-T58 HydrophobicContact CG2-CG2 4.32Å; I56-L67 PolarHBondContact N-O 3.3Å; I56-L67 PolarHBondContact O-N 3.3Å; I56-Q69 VanDerWaalsContact CD1-CD 3.42Å; I56-Q69 HydrophobicContact CD1-CG 3.75Å; I56-Q69 VanDerWaalsContact CD1-NE2 3.34Å
57S87.5Confident87.6Confident60 Ų6073.1 Ų73.142%0.4239%0.392SS..EExtended strand (participates in β ladder)trans-89.1122.1174.3-730000110.3E64S57-E64 WeakPolarHBondContact CB-OE1 3.39Å; S57-E64 PolarHBondContact OG-OE1 3.31Å
58T80.4Confident87.7Confident61 Ų6171.6 Ų71.637%0.37438%0.382SS..EExtended strand (participates in β ladder)trans-114.5130.6174.452.20000109.8I56 S60 V65I56-T58 HydrophobicContact CG2-CG2 4.32Å; T58-S60 PolarHBondContact O-N 2.7Å; T58-V65 PolarHBondContact N-O 2.91Å; T58-V65 PolarHBondContact O-N 3.05Å; T58-V65 PolarHBondContact OG1-O 3.24Å; T58-V65 VanDerWaalsContact OG1-O 3.1Å
59Q79.7Confident87.7Confident181 Ų18172.4 Ų72.485%0.84638%0.384SS*.EExtended strand (participates in β ladder)trans-73.9118.3173.5-67.5-108.813.800109.4
60S75Confident87.6Confident44 Ų4473 Ų7331%0.30839%0.386SS..EExtended strand (participates in β ladder)trans-106.7155.3171.6-176.10000109.5T58 E62 G63T58-S60 PolarHBondContact O-N 2.7Å; S60-E62 PolarHBondContact O-N 2.83Å; S60-G63 WeakPolarHBondContact CA-O 3.3Å; S60-G63 VanDerWaalsContact CB-O 3.24Å; S60-G63 WeakPolarHBondContact CB-O 3.43Å; S60-G63 PolarHBondContact N-O 3.25Å; S60-G63 PolarHBondContact O-N 3.5Å
61P74.3Confident87.5Confident141 Ų14172.4 Ų72.492%0.91639%0.387SS*.THydrogen-bonded Turntrans-55.1-22.2170.4-26.936.2000114.3
62E75.8Confident87.5Confident190 Ų19076.3 Ų76.389%0.88840%0.397SS*.THydrogen-bonded Turntrans-91.9-1.6177.8-61.1178.3171.800113.7S60S60-E62 PolarHBondContact O-N 2.83Å
63G79.8Confident87.5Confident33 Ų3381.6 Ų81.634%0.3442%0.416SS..EExtended strand (participates in β ladder)trans128.6-173.5-179.700000114.3S60 V65S60-G63 WeakPolarHBondContact CA-O 3.3Å; S60-G63 VanDerWaalsContact CB-O 3.24Å; S60-G63 WeakPolarHBondContact CB-O 3.43Å; S60-G63 PolarHBondContact N-O 3.25Å; S60-G63 PolarHBondContact O-N 3.5Å; G63-V65 PolarHBondContact O-N 3.24Å
64E82.4Confident87.7Confident131 Ų13180.5 Ų80.561%0.61241%0.411SS*.EExtended strand (participates in β ladder)trans-73.1122.7175.1-171-177.6159.800110.6S57S57-E64 WeakPolarHBondContact CB-OE1 3.39Å; S57-E64 PolarHBondContact OG-OE1 3.31Å
65V85.9Confident87.9Confident44 Ų4485.3 Ų85.327%0.26743%0.429SS..EExtended strand (participates in β ladder)trans-109.9117.7175.8-177.90000109.3T58 G63 L67T58-V65 PolarHBondContact N-O 2.91Å; T58-V65 PolarHBondContact O-N 3.05Å; T58-V65 PolarHBondContact OG1-O 3.24Å; T58-V65 VanDerWaalsContact OG1-O 3.1Å; G63-V65 PolarHBondContact O-N 3.24Å; V65-L67 HydrophobicContact CG1-CD2 3.99Å; V65-L67 HydrophobicContact CG1-CG 4.12Å
66T91.1Very high88Confident55 Ų5581.3 Ų81.334%0.33741%0.41SS..EExtended strand (participates in β ladder)trans-91117.1174.6-44.50000111N55 Y68N55-T66 HydrophobicContact CB-CG2 3.88Å; T66-Y68 HydrophobicContact CG2-CE2 3.95Å
67L93.9Very high88.4Confident33 Ų3378.5 Ų78.517%0.17340%0.395CS..EExtended strand (participates in β ladder)trans-110.8166.5174.7-58.8174.1000109.9N55 I56 V65 H155 L156 R157N55-L67 CarbonylContact C-O 3.5Å; N55-L67 WeakPolarHBondContact CA-O 3.39Å; I56-L67 PolarHBondContact N-O 3.3Å; I56-L67 PolarHBondContact O-N 3.3Å; V65-L67 HydrophobicContact CG1-CD2 3.99Å; V65-L67 HydrophobicContact CG1-CG 4.12Å; L67-H155 HydrophobicContact CB-CB 4.21Å; L67-H155 HydrophobicContact CD1-CB 3.97Å; L67-L156 CarbonylContact C-O 3.37Å; L67-R157 HydrophobicContact CD2-CG 3.89Å
68Y95.3Very high88.9Confident34 Ų3475.9 Ų75.913%0.13338%0.377CS..EExtended strand (participates in β ladder)trans-137.4137.6-174.3-62.8-104.9000110.6P52 Q53 Y54 N55 T66 L156 F158 K161P52-Y68 HydrophobicContact CB-CD1 4.02Å; P52-Y68 HydrophobicContact CB-CE1 4.05Å; P52-Y68 WeakPolarHBondContact O-CE1 3.48Å; Q53-Y68 WeakPolarHBondContact O-CD1 3.18Å; Y54-Y68 WeakPolarHBondContact O-CA 3.33Å; N55-Y68 HydrophobicContact CB-CD1 3.99Å; N55-Y68 HydrophobicContact CB-CE1 3.67Å; T66-Y68 HydrophobicContact CG2-CE2 3.95Å; Y68-L156 PolarHBondContact N-O 3.38Å; Y68-L156 WeakPolarHBondContact O-CB 3.37Å; Y68-L156 PolarHBondContact O-N 3.16Å; Y68-F158 HydrophobicContact CD2-CB 4.32Å; Y68-F158 HydrophobicContact CE2-CB 3.72Å; Y68-F158 HydrophobicContact CE2-CD2 4.31Å; Y68-K161 HydrophobicContact CD1-CD 4.23Å; Y68-K161 HydrophobicContact CG-CD 4.16Å
69Q94.3Very high89.8Confident63 Ų6376.6 Ų76.629%0.29438%0.378SS..  trans-99.7167171-59.6-174.8-19.600110.3Y54 I56 V154 H155 K161Y54-Q69 PolarHBondContact O-N 3.16Å; Y54-Q69 VanDerWaalsContact O-N 3.13Å; I56-Q69 VanDerWaalsContact CD1-CD 3.42Å; I56-Q69 HydrophobicContact CD1-CG 3.75Å; I56-Q69 VanDerWaalsContact CD1-NE2 3.34Å; Q69-V154 HydrophobicContact CG-CG1 4.05Å; Q69-H155 PolarHBondContact NE2-NE2 3.07Å; Q69-H155 VanDerWaalsContact NE2-NE2 3.16Å; Q69-K161 PolarHBondContact O-NZ 3.32Å
70Y91.4Very high90.6Very high63 Ų6368.4 Ų68.425%0.24734%0.339CS..  trans-81.7155.6169.577.3-97.2000110.9Y206 L207Y70-Y206 WeakPolarHBondContact CA-OH 3.47Å; Y70-Y206 WeakPolarHBondContact CB-OH 3.48Å; Y70-L207 HydrophobicContact CD2-CD2 4Å; Y70-L207 HydrophobicContact CE2-CD2 4.27Å
71G92.6Very high91.8Very high18 Ų1868.3 Ų68.319%0.18633%0.332CS..  trans-176.3174.4166.100000114.5Y54 R73 D74Y54-G71 VanDerWaalsContact CE2-C 3.43Å; G71-R73 PolarHBondContact O-N 2.8Å; G71-R73 VanDerWaalsContact O-N 3.11Å; G71-D74 PolarHBondContact N-OD2 2.92Å; G71-D74 VanDerWaalsContact O-CB 3.29Å; G71-D74 WeakPolarHBondContact O-CB 3.35Å; G71-D74 PolarHBondContact O-N 2.93Å; G71-D74 VanDerWaalsContact O-OD2 3.12Å
72W93.9Very high92.9Very high192 Ų19263.4 Ų63.473%0.72730%0.297SS*.THydrogen-bonded Turntrans-59.1-30.1-170.377.2-96.3000114.3Y54 D74 W75Y54-W72 VanDerWaalsContact OH-CD1 3.27Å; Y54-W72 PolarHBondContact OH-N 3.3Å; W72-D74 PolarHBondContact O-N 3.4Å; W72-W75 WeakPolarHBondContact O-CB 3.41Å; W72-W75 PolarHBondContact O-N 3.26Å
73R95.1Very high94Very high119 Ų11956.1 Ų56.145%0.44926%0.262SS..THydrogen-bonded Turntrans-64.8-19.4178.1-70-178.7179.71792.5113.5L48 Q53 Y54 G71 W75 A76L48-R73 HydrophobicContact CD1-CB 3.88Å; L48-R73 HydrophobicContact CD1-CG 4.11Å; Q53-R73 HydrophobicContact CB-CB 4.07Å; Q53-R73 HydrophobicContact CG-CB 3.91Å; Y54-R73 HydrophobicContact CE2-CB 3.74Å; Y54-R73 HydrophobicContact CE2-CG 4.43Å; Y54-R73 WeakPolarHBondContact OH-CG 3.28Å; Y54-R73 PolarHBondContact OH-N 3.39Å; G71-R73 PolarHBondContact O-N 2.8Å; G71-R73 VanDerWaalsContact O-N 3.11Å; R73-W75 PolarHBondContact O-N 3.22Å; R73-W75 VanDerWaalsContact O-N 3.13Å; R73-A76 WeakPolarHBondContact O-CB 3.14Å; R73-A76 PolarHBondContact O-N 3.01Å
74D96.8Very high94.9Very high3 Ų356.7 Ų56.72%0.01626%0.257CS..Hα-helixtrans-63-17.8175.7-65-42.9000112.6Q53 G71 W72 A76 T77 I78 K161 L165 Y206Q53-D74 WeakPolarHBondContact CB-OD1 3.46Å; Q53-D74 PolarHBondContact N-OD1 3.45Å; G71-D74 PolarHBondContact N-OD2 2.92Å; G71-D74 VanDerWaalsContact O-CB 3.29Å; G71-D74 WeakPolarHBondContact O-CB 3.35Å; G71-D74 PolarHBondContact O-N 2.93Å; G71-D74 VanDerWaalsContact O-OD2 3.12Å; W72-D74 PolarHBondContact O-N 3.4Å; D74-A76 VanDerWaalsContact C-N 3.28Å; D74-A76 PolarHBondContact O-N 3.08Å; D74-T77 WeakPolarHBondContact O-CB 3.5Å; D74-T77 PolarHBondContact O-N 3.2Å; D74-I78 WeakPolarHBondContact O-CB 3.37Å; D74-I78 VanDerWaalsContact O-CG1 3.25Å; D74-I78 WeakPolarHBondContact O-CG1 3.34Å; D74-I78 PolarHBondContact O-N 2.86Å; D74-K161 VanDerWaalsContact CG-CE 3.42Å; D74-K161 WeakPolarHBondContact OD1-CE 3.35Å; D74-K161 IonicContact OD1-NZ 3.79Å; D74-K161 PolarHBondContact OD1-NZ 3.44Å; D74-K161 WeakPolarHBondContact OD2-CE 3.41Å; D74-K161 IonicContact OD2-NZ 2.72Å; D74-K161 PolarHBondContact OD2-NZ 3.12Å; D74-L165 HydrophobicContact CB-CD1 4.16Å; D74-L165 HydrophobicContact CB-CD2 3.79Å; D74-Y206 PolarHBondContact OD2-OH 3.06Å
75W97Very high95.6Very high167 Ų16751 Ų5163%0.63323%0.231SC*.Hα-helixtrans-60.9-33.4169.4-81.1110.5000113.5W72 R73 I78 L79 L172W72-W75 WeakPolarHBondContact O-CB 3.41Å; W72-W75 PolarHBondContact O-N 3.26Å; R73-W75 PolarHBondContact O-N 3.22Å; R73-W75 VanDerWaalsContact O-N 3.13Å; W75-I78 HydrophobicContact CE3-CD1 4.4Å; W75-I78 HydrophobicContact CE3-CG2 4.34Å; W75-I78 HydrophobicContact CZ3-CG2 4.42Å; W75-L79 VanDerWaalsContact O-CB 3.31Å; W75-L79 WeakPolarHBondContact O-CB 3.44Å; W75-L79 PolarHBondContact O-N 3.3Å; W75-L172 HydrophobicContact CZ3-CD1 3.9Å
76A96.9Very high96.2Very high16 Ų1649.1 Ų49.113%0.13222%0.219CC..Hα-helixtrans-67.2-42.9174.500000110.6L48 F49 R73 D74 L79 F80L48-A76 HydrophobicContact CD1-CB 4.38Å; L48-A76 HydrophobicContact CD2-CB 4.32Å; L48-A76 HydrophobicContact CG-CB 3.81Å; F49-A76 HydrophobicContact CD1-CB 4.01Å; F49-A76 VanDerWaalsContact CD1-O 3.29Å; F49-A76 WeakPolarHBondContact CD1-O 3.37Å; F49-A76 HydrophobicContact CE1-CB 4Å; F49-A76 HydrophobicContact CG-CB 4.48Å; F49-A76 HydrophobicContact CZ-CB 4.48Å; R73-A76 WeakPolarHBondContact O-CB 3.14Å; R73-A76 PolarHBondContact O-N 3.01Å; D74-A76 VanDerWaalsContact C-N 3.28Å; D74-A76 PolarHBondContact O-N 3.08Å; A76-L79 PolarHBondContact O-N 3.27Å; A76-F80 PolarHBondContact O-N 2.83Å
77T97.6Very high96.5Very high0 Ų047.8 Ų47.80%021%0.21CC..Hα-helixtrans-61.8-48.2174-39.50000111.4L48 F49 Q51 D74 L79 F80 Y81 L165L48-T77 PolarHBondContact O-OG1 3.22Å; F49-T77 WeakPolarHBondContact O-CA 3.27Å; Q51-T77 PolarHBondContact O-OG1 3.44Å; D74-T77 WeakPolarHBondContact O-CB 3.5Å; D74-T77 PolarHBondContact O-N 3.2Å; T77-L79 VanDerWaalsContact C-N 3.3Å; T77-L79 PolarHBondContact O-N 3.34Å; T77-F80 PolarHBondContact O-N 3.15Å; T77-Y81 HydrophobicContact CG2-CD2 3.91Å; T77-Y81 HydrophobicContact CG2-CE2 3.87Å; T77-Y81 VanDerWaalsContact O-CD2 3.28Å; T77-Y81 WeakPolarHBondContact O-CD2 3.5Å; T77-Y81 PolarHBondContact O-N 2.82Å; T77-L165 HydrophobicContact CG2-CD1 3.87Å
78I98.5Very high96.7Very high6 Ų650.9 Ų50.93%0.03123%0.226CC..Hα-helixtrans-57.4-42.5175.8-69.6163.5000111.1D74 W75 Y81 F82 L165 L168 A169 L172D74-I78 WeakPolarHBondContact O-CB 3.37Å; D74-I78 VanDerWaalsContact O-CG1 3.25Å; D74-I78 WeakPolarHBondContact O-CG1 3.34Å; D74-I78 PolarHBondContact O-N 2.86Å; W75-I78 HydrophobicContact CE3-CD1 4.4Å; W75-I78 HydrophobicContact CE3-CG2 4.34Å; W75-I78 HydrophobicContact CZ3-CG2 4.42Å; I78-Y81 PolarHBondContact O-N 3.27Å; I78-F82 WeakPolarHBondContact O-CB 3.32Å; I78-F82 PolarHBondContact O-N 2.72Å; I78-L165 HydrophobicContact CD1-CD2 3.97Å; I78-L165 HydrophobicContact CG1-CB 4.14Å; I78-L165 HydrophobicContact CG1-CD2 3.98Å; I78-L168 HydrophobicContact CD1-CB 4.15Å; I78-L168 HydrophobicContact CD1-CD1 3.72Å; I78-L168 HydrophobicContact CG1-CB 4.31Å; I78-L168 HydrophobicContact CG2-CB 4.34Å; I78-A169 HydrophobicContact CG2-CB 4.33Å; I78-A169 WeakPolarHBondContact O-CB 3.46Å; I78-L172 HydrophobicContact CG2-CD1 3.49Å; I78-L172 VanDerWaalsContact CG2-CD1 3.49Å
79L97.9Very high96.8Very high76 Ų7649.9 Ų49.940%0.39822%0.223SC..Hα-helixtrans-64.5-40178.5-179.660.2000112.6F49 W75 A76 T77 F82 F83F49-L79 HydrophobicContact CE1-CD2 4.38Å; W75-L79 VanDerWaalsContact O-CB 3.31Å; W75-L79 WeakPolarHBondContact O-CB 3.44Å; W75-L79 PolarHBondContact O-N 3.3Å; A76-L79 PolarHBondContact O-N 3.27Å; T77-L79 VanDerWaalsContact C-N 3.3Å; T77-L79 PolarHBondContact O-N 3.34Å; L79-F82 HydrophobicContact CD1-CD1 4Å; L79-F82 HydrophobicContact CD1-CE1 4.44Å; L79-F82 WeakPolarHBondContact O-CB 3.3Å; L79-F82 PolarHBondContact O-N 3.13Å; L79-F83 HydrophobicContact CD1-CE1 4.22Å; L79-F83 HydrophobicContact CD1-CE2 4.2Å; L79-F83 HydrophobicContact CD1-CZ 3.81Å; L79-F83 HydrophobicContact CG-CE2 4.04Å; L79-F83 HydrophobicContact CG-CZ 4.13Å; L79-F83 WeakPolarHBondContact O-CD2 3.39Å; L79-F83 PolarHBondContact O-N 2.88Å
80F98.1Very high96.9Very high8 Ų847.8 Ų47.84%0.03522%0.216CC..Hα-helixtrans-63.9-50.3174.9-178-102.3000111.7V30 I33 L34 F49 I50 A76 T77 F82 F83 I84V30-F80 HydrophobicContact CG1-CE2 4.11Å; V30-F80 HydrophobicContact CG1-CZ 4.16Å; I33-F80 HydrophobicContact CB-CD2 4.48Å; I33-F80 HydrophobicContact CB-CE2 4.19Å; I33-F80 HydrophobicContact CD1-CD2 3.93Å; I33-F80 HydrophobicContact CD1-CE2 4.37Å; I33-F80 HydrophobicContact CG2-CD2 4.02Å; I33-F80 HydrophobicContact CG2-CE2 3.87Å; L34-F80 HydrophobicContact CD2-CZ 4.33Å; F49-F80 HydrophobicContact CB-CB 3.92Å; F49-F80 HydrophobicContact CB-CD2 4.13Å; F49-F80 HydrophobicContact CB-CG 4.16Å; F49-F80 HydrophobicContact CD1-CB 4.35Å; F49-F80 WeakPolarHBondContact O-CB 3.26Å; F49-F80 WeakPolarHBondContact O-CG 3.39Å; I50-F80 HydrophobicContact CD1-CZ 4.48Å; I50-F80 HydrophobicContact CG1-CD1 4.31Å; I50-F80 HydrophobicContact CG1-CD2 4.42Å; I50-F80 HydrophobicContact CG1-CE1 3.95Å; I50-F80 HydrophobicContact CG1-CE2 4.06Å; I50-F80 HydrophobicContact CG1-CZ 3.82Å; A76-F80 PolarHBondContact O-N 2.83Å; T77-F80 PolarHBondContact O-N 3.15Å; F80-F82 PolarHBondContact O-N 2.92Å; F80-F83 WeakPolarHBondContact O-CB 3.38Å; F80-F83 PolarHBondContact O-N 3.46Å; F80-I84 HydrophobicContact CD1-CG1 4.3Å; F80-I84 HydrophobicContact CE1-CD1 4.24Å; F80-I84 HydrophobicContact CE1-CG1 4.01Å; F80-I84 HydrophobicContact CZ-CD1 4.21Å; F80-I84 HydrophobicContact CZ-CG1 4.42Å; F80-I84 PolarHBondContact O-N 3.15Å; F80-I84 VanDerWaalsContact O-N 3.09Å
81Y98.4Very high97.1Very high42 Ų4248 Ų4817%0.16522%0.224CC..Hα-helixtrans-68.6-21.6178.4-74.6-77.5000112.9I50 T77 I78 I84 T85 F162I50-Y81 WeakPolarHBondContact O-CE2 3.4Å; I50-Y81 PolarHBondContact O-OH 3.49Å; I50-Y81 VanDerWaalsContact O-OH 3.07Å; T77-Y81 HydrophobicContact CG2-CD2 3.91Å; T77-Y81 HydrophobicContact CG2-CE2 3.87Å; T77-Y81 VanDerWaalsContact O-CD2 3.28Å; T77-Y81 WeakPolarHBondContact O-CD2 3.5Å; T77-Y81 PolarHBondContact O-N 2.82Å; I78-Y81 PolarHBondContact O-N 3.27Å; Y81-I84 HydrophobicContact CD1-CB 4.4Å; Y81-I84 HydrophobicContact CD1-CG1 4.28Å; Y81-I84 PolarHBondContact O-N 2.98Å; Y81-T85 WeakPolarHBondContact O-CG2 3.45Å; Y81-T85 PolarHBondContact O-N 3.45Å; Y81-T85 PolarHBondContact O-OG1 3.07Å; Y81-T85 VanDerWaalsContact O-OG1 3.09Å; Y81-F162 HydrophobicContact CD1-CE2 4.28Å; Y81-F162 HydrophobicContact CD1-CZ 4.31Å; Y81-F162 HydrophobicContact CD2-CE2 4.05Å; Y81-F162 AromaticContact CE1-CE2 3.78Å; Y81-F162 HydrophobicContact CE1-CE2 3.78Å; Y81-F162 AromaticContact CE1-CZ 3.62Å; Y81-F162 HydrophobicContact CE1-CZ 3.62Å; Y81-F162 AromaticContact CE2-CE2 3.54Å; Y81-F162 HydrophobicContact CE2-CE2 3.54Å; Y81-F162 HydrophobicContact CE2-CZ 4.23Å; Y81-F162 HydrophobicContact CG-CE2 4.41Å; Y81-F162 AromaticContact CZ-CE2 3.38Å; Y81-F162 AromaticContact CZ-CZ 3.58Å
82F98.5Very high97.4Very high39 Ų3948.1 Ų48.117%0.17122%0.221CC..Hα-helixtrans-66.4-37.8169.4159.2-85.3000111.7I78 L79 F80 T85 I86 A169 L172 H173 P176I78-F82 WeakPolarHBondContact O-CB 3.32Å; I78-F82 PolarHBondContact O-N 2.72Å; L79-F82 HydrophobicContact CD1-CD1 4Å; L79-F82 HydrophobicContact CD1-CE1 4.44Å; L79-F82 WeakPolarHBondContact O-CB 3.3Å; L79-F82 PolarHBondContact O-N 3.13Å; F80-F82 PolarHBondContact O-N 2.92Å; F82-T85 WeakPolarHBondContact CA-OG1 3.4Å; F82-T85 PolarHBondContact O-OG1 2.88Å; F82-I86 HydrophobicContact CD1-CD1 4.21Å; F82-I86 HydrophobicContact CE1-CD1 3.74Å; F82-I86 HydrophobicContact CE2-CD1 4.41Å; F82-I86 HydrophobicContact CZ-CD1 3.87Å; F82-I86 WeakPolarHBondContact O-CG1 3.36Å; F82-I86 PolarHBondContact O-N 2.86Å; F82-A169 HydrophobicContact CB-CB 4.37Å; F82-L172 HydrophobicContact CD2-CB 3.78Å; F82-L172 HydrophobicContact CE2-CB 4.25Å; F82-H173 HydrophobicContact CD2-CB 4.07Å; F82-H173 HydrophobicContact CE2-CB 4.42Å; F82-P176 HydrophobicContact CE2-CG 3.96Å; F82-P176 HydrophobicContact CZ-CG 3.87Å
83F98.3Very high97.5Very high37 Ų3740.6 Ų40.616%0.16219%0.194CC..Hα-helixtrans-67.2-41.6170.5-63.7-37.6000111.7V26 V30 L79 F80 T85 I86 I87V26-F83 HydrophobicContact CG1-CB 3.48Å; V26-F83 VanDerWaalsContact CG1-CB 3.48Å; V26-F83 HydrophobicContact CG1-CD1 3.76Å; V26-F83 HydrophobicContact CG1-CG 3.92Å; V26-F83 WeakPolarHBondContact CG1-O 3.42Å; V30-F83 HydrophobicContact CG2-CB 3.62Å; L79-F83 HydrophobicContact CD1-CE1 4.22Å; L79-F83 HydrophobicContact CD1-CE2 4.2Å; L79-F83 HydrophobicContact CD1-CZ 3.81Å; L79-F83 HydrophobicContact CG-CE2 4.04Å; L79-F83 HydrophobicContact CG-CZ 4.13Å; L79-F83 WeakPolarHBondContact O-CD2 3.39Å; L79-F83 PolarHBondContact O-N 2.88Å; F80-F83 WeakPolarHBondContact O-CB 3.38Å; F80-F83 PolarHBondContact O-N 3.46Å; F83-T85 PolarHBondContact O-N 2.89Å; F83-I86 PolarHBondContact O-N 2.64Å; F83-I87 WeakPolarHBondContact O-CD1 3.45Å; F83-I87 WeakPolarHBondContact O-CG1 3.29Å; F83-I87 PolarHBondContact O-N 2.99Å
84I98.2Very high97.5Very high44 Ų4440 Ų4023%0.22620%0.197CC..Hα-helixtrans-59.7-43.3174.7-59.3-64.9000111.5V30 F80 Y81 I86 I87 L88V30-I84 HydrophobicContact CG1-CD1 3.67Å; V30-I84 HydrophobicContact CG2-CD1 4.02Å; F80-I84 HydrophobicContact CD1-CG1 4.3Å; F80-I84 HydrophobicContact CE1-CD1 4.24Å; F80-I84 HydrophobicContact CE1-CG1 4.01Å; F80-I84 HydrophobicContact CZ-CD1 4.21Å; F80-I84 HydrophobicContact CZ-CG1 4.42Å; F80-I84 PolarHBondContact O-N 3.15Å; F80-I84 VanDerWaalsContact O-N 3.09Å; Y81-I84 HydrophobicContact CD1-CB 4.4Å; Y81-I84 HydrophobicContact CD1-CG1 4.28Å; Y81-I84 PolarHBondContact O-N 2.98Å; I84-I86 PolarHBondContact O-N 3.41Å; I84-I87 PolarHBondContact O-N 3.49Å; I84-L88 HydrophobicContact CG2-CD1 3.87Å; I84-L88 HydrophobicContact CG2-CG 4.21Å; I84-L88 WeakPolarHBondContact O-CG 3.49Å; I84-L88 PolarHBondContact O-N 3.15Å
85T98.2Very high97.4Very high12 Ų1246.7 Ų46.77%0.07422%0.223CC..Hα-helixtrans-68.9-32-179.848.60000113.3Y81 F82 F83 L88 H89 A169 Y170 H173Y81-T85 WeakPolarHBondContact O-CG2 3.45Å; Y81-T85 PolarHBondContact O-N 3.45Å; Y81-T85 PolarHBondContact O-OG1 3.07Å; Y81-T85 VanDerWaalsContact O-OG1 3.09Å; F82-T85 WeakPolarHBondContact CA-OG1 3.4Å; F82-T85 PolarHBondContact O-OG1 2.88Å; F83-T85 PolarHBondContact O-N 2.89Å; T85-L88 PolarHBondContact O-N 3.39Å; T85-H89 WeakPolarHBondContact O-CB 3.44Å; T85-H89 PolarHBondContact O-N 3.19Å; T85-A169 PolarHBondContact OG1-O 3.37Å; T85-Y170 HydrophobicContact CG2-CD2 4.21Å; T85-H173 WeakPolarHBondContact OG1-CB 3.32Å
86I97.9Very high97.3Very high4 Ų442.8 Ų42.82%0.02121%0.213CC..Hα-helixtrans-60.8-47.4169.4-68.4167.8000110.8V26 F82 F83 I84 H89 A90 H173 P176 F180V26-I86 HydrophobicContact CB-CG2 4.35Å; V26-I86 HydrophobicContact CG1-CB 4.29Å; V26-I86 HydrophobicContact CG1-CG2 4.34Å; V26-I86 HydrophobicContact CG2-CD1 4.44Å; V26-I86 HydrophobicContact CG2-CG2 4.22Å; F82-I86 HydrophobicContact CD1-CD1 4.21Å; F82-I86 HydrophobicContact CE1-CD1 3.74Å; F82-I86 HydrophobicContact CE2-CD1 4.41Å; F82-I86 HydrophobicContact CZ-CD1 3.87Å; F82-I86 WeakPolarHBondContact O-CG1 3.36Å; F82-I86 PolarHBondContact O-N 2.86Å; F83-I86 PolarHBondContact O-N 2.64Å; I84-I86 PolarHBondContact O-N 3.41Å; I86-H89 WeakPolarHBondContact O-CB 3.38Å; I86-H89 PolarHBondContact O-N 3.37Å; I86-A90 PolarHBondContact O-N 3.13Å; I86-A90 VanDerWaalsContact O-N 3.17Å; I86-H173 HydrophobicContact CG1-CB 4.17Å; I86-P176 HydrophobicContact CD1-CG 4.41Å; I86-F180 HydrophobicContact CG2-CE2 4.48Å
87I97.5Very high97.3Very high28 Ų2842.1 Ų42.114%0.14421%0.207CC..Hα-helixtrans-62.8-45.7178.8-61.4157000110.3V26 F27 V30 F83 I84 H89 A90 V91V26-I87 HydrophobicContact CB-CG1 4.47Å; V26-I87 HydrophobicContact CG1-CD1 4.18Å; V26-I87 HydrophobicContact CG1-CG1 4.08Å; F27-I87 HydrophobicContact CB-CD1 4.08Å; F27-I87 HydrophobicContact CB-CG1 4.25Å; F27-I87 HydrophobicContact CD2-CD1 4.26Å; F27-I87 HydrophobicContact CD2-CG2 4.49Å; V30-I87 HydrophobicContact CB-CD1 4.26Å; V30-I87 HydrophobicContact CG2-CD1 3.75Å; F83-I87 WeakPolarHBondContact O-CD1 3.45Å; F83-I87 WeakPolarHBondContact O-CG1 3.29Å; F83-I87 PolarHBondContact O-N 2.99Å; I84-I87 PolarHBondContact O-N 3.49Å; I87-H89 VanDerWaalsContact C-N 3.32Å; I87-H89 PolarHBondContact O-N 3.5Å; I87-A90 PolarHBondContact O-N 3.27Å; I87-V91 HydrophobicContact CG2-CG2 4.47Å; I87-V91 WeakPolarHBondContact O-CG2 3.42Å; I87-V91 PolarHBondContact O-N 2.99Å
88L97.8Very high97.1Very high97 Ų9745 Ų4551%0.50822%0.223SC..Hα-helixtrans-61.6-38.4177-70.5174.2000112.3I84 T85 V91 V92I84-L88 HydrophobicContact CG2-CD1 3.87Å; I84-L88 HydrophobicContact CG2-CG 4.21Å; I84-L88 WeakPolarHBondContact O-CG 3.49Å; I84-L88 PolarHBondContact O-N 3.15Å; T85-L88 PolarHBondContact O-N 3.39Å; L88-V91 PolarHBondContact O-N 3.09Å; L88-V92 WeakPolarHBondContact O-CB 3.16Å; L88-V92 VanDerWaalsContact O-CG2 3.32Å; L88-V92 WeakPolarHBondContact O-CG2 3.4Å; L88-V92 PolarHBondContact O-N 2.84Å
89H97.7Very high96.8Very high13 Ų1349.9 Ų49.96%0.0624%0.244CC..Hα-helixtrans-58.2-50.2175.4-166116.7000111.1T85 I86 I87 V92 Q93 Q119 H173 E177 Q181T85-H89 WeakPolarHBondContact O-CB 3.44Å; T85-H89 PolarHBondContact O-N 3.19Å; I86-H89 WeakPolarHBondContact O-CB 3.38Å; I86-H89 PolarHBondContact O-N 3.37Å; I87-H89 VanDerWaalsContact C-N 3.32Å; I87-H89 PolarHBondContact O-N 3.5Å; H89-V92 PolarHBondContact O-N 2.95Å; H89-Q93 WeakPolarHBondContact O-CB 3.31Å; H89-Q93 PolarHBondContact O-N 3.25Å; H89-Q119 PolarHBondContact CD2-NE2 3.03Å; H89-Q119 VanDerWaalsContact NE2-CD 3.26Å; H89-Q119 WeakPolarHBondContact NE2-CG 3.33Å; H89-Q119 PolarHBondContact NE2-NE2 2.91Å; H89-Q119 PolarHBondContact O-NE2 3.28Å; H89-H173 AromaticContact CE1-NE2 3.9Å; H89-H173 AromaticContact CG-NE2 3.65Å; H89-H173 AromaticContact ND1-CD2 3.93Å; H89-H173 AromaticContact ND1-CE1 3.77Å; H89-H173 AromaticContact ND1-NE2 2.87Å; H89-H173 PolarHBondContact ND1-NE2 2.9Å; H89-E177 IonicContact CD2-OE1 2.67Å; H89-E177 PolarHBondContact CD2-OE1 2.91Å; H89-E177 IonicContact CE1-OE1 2.91Å; H89-E177 IonicContact NE2-OE1 2.68Å; H89-E177 PolarHBondContact NE2-OE1 2.58Å; H89-Q181 PolarHBondContact CE1-NE2 3.02Å; H89-Q181 PolarHBondContact NE2-NE2 3.38Å
90A96.4Very high96.6Very high19 Ų1949 Ų4916%0.15724%0.241CC..Hα-helixtrans-62.5-42.717900000112A23 I86 I87 Q93 E94A23-A90 HydrophobicContact CB-CB 3.47Å; A23-A90 VanDerWaalsContact CB-CB 3.47Å; I86-A90 PolarHBondContact O-N 3.13Å; I86-A90 VanDerWaalsContact O-N 3.17Å; I87-A90 PolarHBondContact O-N 3.27Å; A90-Q93 WeakPolarHBondContact O-CB 3.36Å; A90-Q93 PolarHBondContact O-N 2.67Å; A90-E94 PolarHBondContact O-N 3.13Å
91V96.8Very high96.2Very high68 Ų6849 Ų4941%0.41224%0.242SC..Hα-helixtrans-61.2-47175.81700000111.4I87 L88 Q93 Y95I87-V91 HydrophobicContact CG2-CG2 4.47Å; I87-V91 WeakPolarHBondContact O-CG2 3.42Å; I87-V91 PolarHBondContact O-N 2.99Å; L88-V91 PolarHBondContact O-N 3.09Å; V91-Q93 VanDerWaalsContact C-N 3.29Å; V91-Q93 PolarHBondContact O-N 3.33Å; V91-Y95 HydrophobicContact CB-CD2 4.5Å; V91-Y95 HydrophobicContact CG1-CD2 4.04Å; V91-Y95 WeakPolarHBondContact O-CB 3.38Å; V91-Y95 WeakPolarHBondContact O-CD2 3.19Å; V91-Y95 PolarHBondContact O-N 3.46Å
92V97.5Very high95.9Very high20 Ų2053.5 Ų53.512%0.12126%0.258CS..Iπ-helixtrans-61.7-39.4175.5170.70000110.9L88 H89 I96 L97 Q119 V122L88-V92 WeakPolarHBondContact O-CB 3.16Å; L88-V92 VanDerWaalsContact O-CG2 3.32Å; L88-V92 WeakPolarHBondContact O-CG2 3.4Å; L88-V92 PolarHBondContact O-N 2.84Å; H89-V92 PolarHBondContact O-N 2.95Å; V92-I96 HydrophobicContact CG1-CD1 4.43Å; V92-I96 HydrophobicContact CG2-CD1 4.41Å; V92-I96 WeakPolarHBondContact O-CB 3.38Å; V92-I96 PolarHBondContact O-N 3.06Å; V92-L97 HydrophobicContact CG1-CD1 4.13Å; V92-L97 HydrophobicContact CG1-CG 4.2Å; V92-L97 PolarHBondContact O-N 3.29Å; V92-Q119 VanDerWaalsContact CG1-OE1 3.3Å; V92-V122 HydrophobicContact CG1-CB 4.33Å; V92-V122 HydrophobicContact CG1-CG1 4.44Å; V92-V122 HydrophobicContact CG1-CG2 4.03Å; V92-V122 HydrophobicContact CG2-CG1 4.05Å
93Q96.4Very high95.5Very high35 Ų3561.8 Ų61.816%0.16429%0.288CS..Iπ-helixtrans-63.6-53.2179-169.256.251.500111.6H89 A90 V91 L97 D98 N115H89-Q93 WeakPolarHBondContact O-CB 3.31Å; H89-Q93 PolarHBondContact O-N 3.25Å; A90-Q93 WeakPolarHBondContact O-CB 3.36Å; A90-Q93 PolarHBondContact O-N 2.67Å; V91-Q93 VanDerWaalsContact C-N 3.29Å; V91-Q93 PolarHBondContact O-N 3.33Å; Q93-L97 PolarHBondContact O-N 3.42Å; Q93-D98 PolarHBondContact NE2-OD1 2.9Å; Q93-D98 WeakPolarHBondContact O-CB 3.21Å; Q93-D98 PolarHBondContact O-N 3.37Å; Q93-N115 VanDerWaalsContact NE2-CG 3.34Å; Q93-N115 PolarHBondContact NE2-ND2 2.96Å; Q93-N115 VanDerWaalsContact NE2-ND2 3.12Å; Q93-N115 PolarHBondContact NE2-OD1 3.48Å
94E94.6Very high95Very high107 Ų10762.4 Ų62.450%0.529%0.293SS..Iπ-helixtrans-73.4-48.1-173.6179.7172.6-172.400113A90 R102A90-E94 PolarHBondContact O-N 3.13Å; E94-R102 PolarHBondContact O-NH2 3.18Å
95Y95.2Very high94.5Very high143 Ų14368 Ų6856%0.56132%0.318SS*.Iπ-helixtrans-88-24.6-169.4-68.1-87.4000113.4V91 K99V91-Y95 HydrophobicContact CB-CD2 4.5Å; V91-Y95 HydrophobicContact CG1-CD2 4.04Å; V91-Y95 WeakPolarHBondContact O-CB 3.38Å; V91-Y95 WeakPolarHBondContact O-CD2 3.19Å; V91-Y95 PolarHBondContact O-N 3.46Å; Y95-K99 WeakPolarHBondContact O-CG 3.41Å
96I95.4Very high94.1Very high84 Ų8468.7 Ų68.743%0.43132%0.321SS..Iπ-helixtrans-108.5-69.2178.7-50.9179.1000110V92 D98 K99 V100V92-I96 HydrophobicContact CG1-CD1 4.43Å; V92-I96 HydrophobicContact CG2-CD1 4.41Å; V92-I96 WeakPolarHBondContact O-CB 3.38Å; V92-I96 PolarHBondContact O-N 3.06Å; I96-D98 PolarHBondContact O-N 3.09Å; I96-K99 PolarHBondContact O-N 3.25Å; I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 3.35Å
97L95.6Very high93.7Very high3 Ų371.9 Ų71.92%0.01634%0.344CS..Iπ-helixtrans-67.9-45.7-165.2-58.6179000112.5V92 Q93 K99 V100 N101 Q119 M233V92-L97 HydrophobicContact CG1-CD1 4.13Å; V92-L97 HydrophobicContact CG1-CG 4.2Å; V92-L97 PolarHBondContact O-N 3.29Å; Q93-L97 PolarHBondContact O-N 3.42Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 3.35Å; L97-V100 PolarHBondContact O-N 3.45Å; L97-N101 WeakPolarHBondContact O-CB 3.32Å; L97-N101 PolarHBondContact O-N 3.19Å; L97-N101 PolarHBondContact O-ND2 3.47Å; L97-N101 VanDerWaalsContact O-ND2 3.16Å; L97-Q119 HydrophobicContact CD1-CG 3.67Å; L97-M233 HydrophobicContact CD2-CE 4.44Å
98D93.4Very high93.3Very high61 Ų6179.4 Ų79.433%0.32638%0.375SS..Hα-helixtrans-67.1-30.4177.2-81.89.7000112.4Q93 I96 R102Q93-D98 PolarHBondContact NE2-OD1 2.9Å; Q93-D98 WeakPolarHBondContact O-CB 3.21Å; Q93-D98 PolarHBondContact O-N 3.37Å; I96-D98 PolarHBondContact O-N 3.09Å; D98-R102 VanDerWaalsContact C-NH2 3.32Å; D98-R102 VanDerWaalsContact CB-NH2 3.35Å; D98-R102 WeakPolarHBondContact O-CB 3.43Å; D98-R102 VanDerWaalsContact O-CG 3.27Å; D98-R102 WeakPolarHBondContact O-CG 3.4Å; D98-R102 PolarHBondContact O-N 3.49Å; D98-R102 VanDerWaalsContact O-N 3.15Å; D98-R102 PolarHBondContact O-NE 3.36Å; D98-R102 PolarHBondContact O-NH2 2.91Å
99K92.9Very high92.8Very high108 Ų10877.9 Ų77.947%0.4737%0.373SS..Hα-helixtrans-67.3-39.9173.1-63.5-70.9176.8172.40111.1Y95 I96 L97Y95-K99 WeakPolarHBondContact O-CG 3.41Å; I96-K99 PolarHBondContact O-N 3.25Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 3.35Å
100V93Very high92.4Very high56 Ų5680.3 Ų80.334%0.33938%0.383SS..Hα-helixtrans-69.4-48.1175.9174.30000111.4I96 L97 R102 R103 L104 F114I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 3.35Å; L97-V100 PolarHBondContact O-N 3.45Å; V100-R102 VanDerWaalsContact C-N 3.27Å; V100-R102 PolarHBondContact O-N 2.98Å; V100-R103 WeakPolarHBondContact O-CA 3.45Å; V100-R103 WeakPolarHBondContact O-CB 3.46Å; V100-R103 PolarHBondContact O-N 3.42Å; V100-L104 HydrophobicContact CG1-CD1 3.6Å; V100-L104 HydrophobicContact CG1-CG 4Å; V100-L104 PolarHBondContact O-N 3.38Å; V100-F114 HydrophobicContact CB-CE1 4.44Å; V100-F114 HydrophobicContact CG1-CE1 3.88Å; V100-F114 HydrophobicContact CG1-CZ 3.68Å
101N91.5Very high92.2Very high10 Ų1081.4 Ų81.45%0.05339%0.387CS..Hα-helixtrans-55.9-39177.6-77.5-39.7000113.4L97 R103 L104 H105 N111 F114 N115L97-N101 WeakPolarHBondContact O-CB 3.32Å; L97-N101 PolarHBondContact O-N 3.19Å; L97-N101 PolarHBondContact O-ND2 3.47Å; L97-N101 VanDerWaalsContact O-ND2 3.16Å; N101-R103 PolarHBondContact O-N 2.99Å; N101-L104 PolarHBondContact O-N 3.17Å; N101-H105 PolarHBondContact O-N 3.21Å; N101-N111 PolarHBondContact ND2-OD1 3.29Å; N101-F114 WeakPolarHBondContact OD1-CD1 3.32Å; N101-N115 PolarHBondContact ND2-OD1 3.42Å
102R90.1Very high92Very high136 Ų13681.3 Ų81.351%0.51339%0.386SS..Hα-helixtrans-62-21.3175.9-82174.9-78-145.3-3.6113.4E94 D98 V100E94-R102 PolarHBondContact O-NH2 3.18Å; D98-R102 VanDerWaalsContact C-NH2 3.32Å; D98-R102 VanDerWaalsContact CB-NH2 3.35Å; D98-R102 WeakPolarHBondContact O-CB 3.43Å; D98-R102 VanDerWaalsContact O-CG 3.27Å; D98-R102 WeakPolarHBondContact O-CG 3.4Å; D98-R102 PolarHBondContact O-N 3.49Å; D98-R102 VanDerWaalsContact O-N 3.15Å; D98-R102 PolarHBondContact O-NE 3.36Å; D98-R102 PolarHBondContact O-NH2 2.91Å; V100-R102 VanDerWaalsContact C-N 3.27Å; V100-R102 PolarHBondContact O-N 2.98Å
103R90.4Very high91.7Very high212 Ų21284 Ų8480%0.840%0.396SS*.Hα-helixtrans-94.8-33.5174.7-60.4-176.7-178.2-148.61.4113.3V100 N101 H105V100-R103 WeakPolarHBondContact O-CA 3.45Å; V100-R103 WeakPolarHBondContact O-CB 3.46Å; V100-R103 PolarHBondContact O-N 3.42Å; N101-R103 PolarHBondContact O-N 2.99Å; R103-H105 PolarHBondContact O-CD2 3.04Å; R103-H105 VanDerWaalsContact O-CD2 3.3Å
104L88.1Confident91.7Very high50 Ų5082.5 Ų82.526%0.26239%0.39SS..Hα-helixtrans-82.6-14.2-174.6-65.8-177.4000114.7V100 N101 L106 F114 T237V100-L104 HydrophobicContact CG1-CD1 3.6Å; V100-L104 HydrophobicContact CG1-CG 4Å; V100-L104 PolarHBondContact O-N 3.38Å; N101-L104 PolarHBondContact O-N 3.17Å; L104-L106 HydrophobicContact CB-CD1 4.31Å; L104-L106 HydrophobicContact CB-CD2 4.1Å; L104-L106 HydrophobicContact CB-CG 3.77Å; L104-L106 HydrophobicContact CD1-CD1 4.23Å; L104-L106 PolarHBondContact O-N 2.92Å; L104-F114 HydrophobicContact CD1-CD2 4.5Å; L104-F114 HydrophobicContact CD1-CE2 3.82Å; L104-F114 HydrophobicContact CD1-CZ 3.84Å; L104-T237 WeakPolarHBondContact CD1-OG1 3.4Å; L104-T237 HydrophobicContact CD2-CG2 3.79Å
105H88.3Confident91.7Very high162 Ų16278.5 Ų78.575%0.7537%0.372SS*.  trans50.332177.6-63.2-72.3000115N101 R103N101-H105 PolarHBondContact O-N 3.21Å; R103-H105 PolarHBondContact O-CD2 3.04Å; R103-H105 VanDerWaalsContact O-CD2 3.3Å
106L89.3Confident91.7Very high27 Ų2773.2 Ų73.214%0.14135%0.352CS..  trans-63.1145.2-176.8-58.8179.9000112.5L104 K110 N111 F114 F236L104-L106 HydrophobicContact CB-CD1 4.31Å; L104-L106 HydrophobicContact CB-CD2 4.1Å; L104-L106 HydrophobicContact CB-CG 3.77Å; L104-L106 HydrophobicContact CD1-CD1 4.23Å; L104-L106 PolarHBondContact O-N 2.92Å; L106-K110 HydrophobicContact CB-CB 4.13Å; L106-N111 HydrophobicContact CB-CB 4.13Å; L106-F114 HydrophobicContact CD1-CB 3.88Å; L106-F114 HydrophobicContact CD1-CD2 3.87Å; L106-F114 HydrophobicContact CD1-CG 3.87Å; L106-F236 HydrophobicContact CD1-CB 4.46Å; L106-F236 VanDerWaalsContact CD2-O 3.28Å; L106-F236 WeakPolarHBondContact CD2-O 3.28Å
107S89.8Confident91.8Very high71 Ų7169.2 Ų69.250%0.49733%0.331SS..  trans-59.2151.4171.475.90000111.3S109 K110 N111S107-S109 PolarHBondContact O-N 3.2Å; S107-K110 PolarHBondContact O-N 3.38Å; S107-N111 WeakPolarHBondContact O-CB 3.39Å; S107-N111 PolarHBondContact O-N 3.35Å
108K88.2Confident91.9Very high185 Ų18569.1 Ų69.180%0.80433%0.331SS*.Hα-helixtrans-48.5-41.3-176-171.5178.1180-177.90113.3T112K108-T112 PolarHBondContact O-N 3.32Å; K108-T112 VanDerWaalsContact O-N 3.12Å; K108-T112 PolarHBondContact O-OG1 3.09Å
109S87.4Confident92.1Very high66 Ų6666.8 Ų66.846%0.46232%0.318SS..Hα-helixtrans-72.7-37.8178.9-173.90000113.7S107 K113S107-S109 PolarHBondContact O-N 3.2Å; S109-K113 WeakPolarHBondContact O-CG 3.42Å
110K90.1Very high92.3Very high63 Ų6362.7 Ų62.727%0.27430%0.301SS..Hα-helixtrans-67.7-44.5172.4-79.3-170.2173.5-171.70110.6L106 S107 K113 F114 F236 E239L106-K110 HydrophobicContact CB-CB 4.13Å; S107-K110 PolarHBondContact O-N 3.38Å; K110-K113 CarbonylContact O-C 3.53Å; K110-K113 PolarHBondContact O-N 3.48Å; K110-F114 WeakPolarHBondContact O-CB 3.42Å; K110-F114 PolarHBondContact O-N 3.17Å; K110-F236 HydrophobicContact CD-CD1 4.47Å; K110-F236 HydrophobicContact CG-CD1 4.37Å; K110-E239 IonicContact NZ-OE1 2.74Å; K110-E239 PolarHBondContact NZ-OE1 2.84Å
111N92.4Very high92.6Very high43 Ų4360.8 Ų60.823%0.2329%0.29CS..Hα-helixtrans-58.4-49.4179.8-172.6-48.8000112.4N101 L106 S107 K113 F114 N115N101-N111 PolarHBondContact ND2-OD1 3.29Å; L106-N111 HydrophobicContact CB-CB 4.13Å; S107-N111 WeakPolarHBondContact O-CB 3.39Å; S107-N111 PolarHBondContact O-N 3.35Å; N111-K113 VanDerWaalsContact C-N 3.28Å; N111-K113 PolarHBondContact O-N 3.2Å; N111-F114 WeakPolarHBondContact O-CB 3.3Å; N111-F114 PolarHBondContact O-N 3Å; N111-N115 PolarHBondContact O-N 2.89Å; N111-N115 PolarHBondContact OD1-ND2 2.89Å
112T91.6Very high92.9Very high65 Ų6562.6 Ų62.640%0.39930%0.301SS..Hα-helixtrans-56.1-42.2175.6-550000112.4K108 N115 E116K108-T112 PolarHBondContact O-N 3.32Å; K108-T112 VanDerWaalsContact O-N 3.12Å; K108-T112 PolarHBondContact O-OG1 3.09Å; T112-N115 PolarHBondContact O-N 2.98Å; T112-E116 PolarHBondContact O-N 3.03Å; T112-E116 VanDerWaalsContact O-N 3.08Å
113K92.9Very high93.3Very high77 Ų7757 Ų5734%0.33528%0.281SS..Hα-helixtrans-73.5-28.6178.4-69172.6-177.7171.20113S109 K110 N111 S117 R232 F236S109-K113 WeakPolarHBondContact O-CG 3.42Å; K110-K113 CarbonylContact O-C 3.53Å; K110-K113 PolarHBondContact O-N 3.48Å; N111-K113 VanDerWaalsContact C-N 3.28Å; N111-K113 PolarHBondContact O-N 3.2Å; K113-S117 WeakPolarHBondContact O-CB 3.43Å; K113-S117 PolarHBondContact O-N 3.19Å; K113-S117 VanDerWaalsContact O-N 3.08Å; K113-R232 PolarHBondContact O-NH1 2.87Å; K113-F236 HydrophobicContact CB-CE2 3.66Å; K113-F236 HydrophobicContact CB-CZ 3.72Å; K113-F236 HydrophobicContact CD-CZ 4.33Å
114F95.4Very high93.7Very high4 Ų447 Ų472%0.01824%0.243CC..Hα-helixtrans-67.9-42.3172.8-173.8-86.2000110.4V100 N101 L104 L106 K110 N111 S117 G118 M233 F236V100-F114 HydrophobicContact CB-CE1 4.44Å; V100-F114 HydrophobicContact CG1-CE1 3.88Å; V100-F114 HydrophobicContact CG1-CZ 3.68Å; N101-F114 WeakPolarHBondContact OD1-CD1 3.32Å; L104-F114 HydrophobicContact CD1-CD2 4.5Å; L104-F114 HydrophobicContact CD1-CE2 3.82Å; L104-F114 HydrophobicContact CD1-CZ 3.84Å; L106-F114 HydrophobicContact CD1-CB 3.88Å; L106-F114 HydrophobicContact CD1-CD2 3.87Å; L106-F114 HydrophobicContact CD1-CG 3.87Å; K110-F114 WeakPolarHBondContact O-CB 3.42Å; K110-F114 PolarHBondContact O-N 3.17Å; N111-F114 WeakPolarHBondContact O-CB 3.3Å; N111-F114 PolarHBondContact O-N 3Å; F114-S117 PolarHBondContact O-N 3.28Å; F114-G118 PolarHBondContact O-N 3.09Å; F114-M233 HydrophobicContact CD2-CB 4.45Å; F114-M233 HydrophobicContact CD2-CG 4.33Å; F114-M233 HydrophobicContact CE1-CE 4Å; F114-M233 HydrophobicContact CE2-CB 3.94Å; F114-M233 HydrophobicContact CE2-CE 4.15Å; F114-M233 HydrophobicContact CE2-CG 4.09Å; F114-M233 HydrophobicContact CZ-CE 3.62Å; F114-M233 HydrophobicContact CZ-CG 4.49Å; F114-F236 HydrophobicContact CB-CD2 4.05Å; F114-F236 HydrophobicContact CD2-CB 3.97Å; F114-F236 HydrophobicContact CD2-CD2 4.09Å
115N95.1Very high94.2Very high23 Ų2348.7 Ų48.712%0.12325%0.252CS..Hα-helixtrans-65-49.3175.1-71.6-10.6000112.7Q93 N101 N111 T112 S117 G118 Q119Q93-N115 VanDerWaalsContact NE2-CG 3.34Å; Q93-N115 PolarHBondContact NE2-ND2 2.96Å; Q93-N115 VanDerWaalsContact NE2-ND2 3.12Å; Q93-N115 PolarHBondContact NE2-OD1 3.48Å; N101-N115 PolarHBondContact ND2-OD1 3.42Å; N111-N115 PolarHBondContact O-N 2.89Å; N111-N115 PolarHBondContact OD1-ND2 2.89Å; T112-N115 PolarHBondContact O-N 2.98Å; N115-S117 VanDerWaalsContact C-N 3.26Å; N115-S117 PolarHBondContact O-N 3.23Å; N115-G118 PolarHBondContact O-N 3.01Å; N115-Q119 PolarHBondContact O-N 3.06Å
116E95.1Very high94.6Very high32 Ų3245.1 Ų45.115%0.1524%0.241CC..Hα-helixtrans-50.8-48.7172.8-178.8-161.8-151.600110.5T112 L120 R190 R232T112-E116 PolarHBondContact O-N 3.03Å; T112-E116 VanDerWaalsContact O-N 3.08Å; E116-L120 HydrophobicContact CG-CD1 4.39Å; E116-L120 WeakPolarHBondContact O-CG 3.43Å; E116-L120 PolarHBondContact O-N 2.87Å; E116-R190 IonicContact OE1-CZ 2.64Å; E116-R190 IonicContact OE1-NH1 3.63Å; E116-R190 PolarHBondContact OE1-NH1 3.08Å; E116-R190 VanDerWaalsContact OE1-NH1 3.13Å; E116-R190 IonicContact OE1-NH2 3.61Å; E116-R190 PolarHBondContact OE1-NH2 3.46Å; E116-R232 IonicContact OE2-CZ 2.7Å; E116-R232 IonicContact OE2-NH1 3.34Å; E116-R232 PolarHBondContact OE2-NH1 3.18Å; E116-R232 IonicContact OE2-NH2 2.79Å; E116-R232 PolarHBondContact OE2-NH2 3.05Å
117S97.1Very high95.1Very high0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-67.4-37.2176.3-89.10000114K113 F114 N115 C121 H229 R232K113-S117 WeakPolarHBondContact O-CB 3.43Å; K113-S117 PolarHBondContact O-N 3.19Å; K113-S117 VanDerWaalsContact O-N 3.08Å; F114-S117 PolarHBondContact O-N 3.28Å; N115-S117 VanDerWaalsContact C-N 3.26Å; N115-S117 PolarHBondContact O-N 3.23Å; S117-C121 WeakPolarHBondContact O-CB 3.49Å; S117-C121 PolarHBondContact O-N 2.99Å; S117-H229 WeakPolarHBondContact CA-ND1 3.47Å; S117-H229 PolarHBondContact OG-ND1 3.29Å; S117-R232 VanDerWaalsContact OG-CD 3.24Å; S117-R232 WeakPolarHBondContact OG-CD 3.31Å; S117-R232 WeakPolarHBondContact OG-CG 3.16Å; S117-R232 PolarHBondContact OG-NH1 2.69Å
118G97.7Very high95.5Very high0 Ų040.8 Ų40.80%021%0.213CC..Hα-helixtrans-66.6-45.8-176.400000112.4F114 N115 C121 V122F114-G118 PolarHBondContact O-N 3.09Å; N115-G118 PolarHBondContact O-N 3.01Å; G118-C121 WeakPolarHBondContact O-CB 3.43Å; G118-C121 PolarHBondContact O-N 3.04Å; G118-V122 WeakPolarHBondContact O-CG2 3.36Å; G118-V122 PolarHBondContact O-N 3.31Å
119Q97.8Very high96Very high12 Ų1236.4 Ų36.46%0.05620%0.202CC..Hα-helixtrans-60.9-48.9176-68.5-690.200111.3H89 V92 L97 N115 C121 V122 F123H89-Q119 PolarHBondContact CD2-NE2 3.03Å; H89-Q119 VanDerWaalsContact NE2-CD 3.26Å; H89-Q119 WeakPolarHBondContact NE2-CG 3.33Å; H89-Q119 PolarHBondContact NE2-NE2 2.91Å; H89-Q119 PolarHBondContact O-NE2 3.28Å; V92-Q119 VanDerWaalsContact CG1-OE1 3.3Å; L97-Q119 HydrophobicContact CD1-CG 3.67Å; N115-Q119 PolarHBondContact O-N 3.06Å; Q119-C121 VanDerWaalsContact C-N 3.34Å; Q119-C121 PolarHBondContact O-N 2.76Å; Q119-V122 PolarHBondContact O-N 3.38Å; Q119-F123 PolarHBondContact O-N 3.4Å
120L97.8Very high96.5Very high22 Ų2236.2 Ų36.212%0.11519%0.191CC..Hα-helixtrans-65.5-35.5177.3-69.8170.2000112.1E116 H124 W171 H229E116-L120 HydrophobicContact CG-CD1 4.39Å; E116-L120 WeakPolarHBondContact O-CG 3.43Å; E116-L120 PolarHBondContact O-N 2.87Å; L120-H124 VanDerWaalsContact O-CB 3.25Å; L120-H124 WeakPolarHBondContact O-CB 3.47Å; L120-H124 PolarHBondContact O-CD2 3.14Å; L120-H124 VanDerWaalsContact O-CG 3.25Å; L120-H124 PolarHBondContact O-N 3.08Å; L120-W171 HydrophobicContact CD2-CH2 4.09Å; L120-H229 VanDerWaalsContact CD1-CE1 3.47Å; L120-H229 WeakPolarHBondContact CD1-CE1 3.24Å
121C98.3Very high96.9Very high17 Ų1733.2 Ų33.212%0.11518%0.178CC..Hα-helixtrans-62.3-46.8175.2-1720000111.9S117 G118 Q119 L125 H229 I230 M233S117-C121 WeakPolarHBondContact O-CB 3.49Å; S117-C121 PolarHBondContact O-N 2.99Å; G118-C121 WeakPolarHBondContact O-CB 3.43Å; G118-C121 PolarHBondContact O-N 3.04Å; Q119-C121 VanDerWaalsContact C-N 3.34Å; Q119-C121 PolarHBondContact O-N 2.76Å; C121-L125 VanDerWaalsContact O-CB 3.23Å; C121-L125 WeakPolarHBondContact O-CB 3.48Å; C121-L125 PolarHBondContact O-N 3.16Å; C121-H229 HydrophobicContact CB-CB 3.9Å; C121-I230 VanDerWaalsContact SG-CG1 3.52Å; C121-M233 HydrophobicContact CB-SD 3.78Å
122V98.2Very high97.1Very high47 Ų4736 Ų3629%0.28519%0.188SC..Hα-helixtrans-64-48.4178.5172.10000110.3V92 G118 Q119 L125 V126V92-V122 HydrophobicContact CG1-CB 4.33Å; V92-V122 HydrophobicContact CG1-CG1 4.44Å; V92-V122 HydrophobicContact CG1-CG2 4.03Å; V92-V122 HydrophobicContact CG2-CG1 4.05Å; G118-V122 WeakPolarHBondContact O-CG2 3.36Å; G118-V122 PolarHBondContact O-N 3.31Å; Q119-V122 PolarHBondContact O-N 3.38Å; V122-L125 PolarHBondContact O-N 3.34Å; V122-V126 WeakPolarHBondContact O-CG2 3.49Å; V122-V126 PolarHBondContact O-N 3.14Å
123F98.3Very high97.4Very high20 Ų2039.4 Ų39.49%0.08820%0.195CC..Hα-helixtrans-60.4-48.1178.1170.5-106.6000112.9Q119 L125 V126 S127 Q167 Y170 W171 Y222Q119-F123 PolarHBondContact O-N 3.4Å; F123-L125 VanDerWaalsContact C-N 3.33Å; F123-L125 PolarHBondContact O-N 3Å; F123-V126 PolarHBondContact O-N 2.89Å; F123-S127 WeakPolarHBondContact CD2-OG 3.22Å; F123-S127 WeakPolarHBondContact CE2-OG 3.31Å; F123-S127 WeakPolarHBondContact CZ-OG 3.16Å; F123-S127 VanDerWaalsContact O-CB 3.23Å; F123-S127 WeakPolarHBondContact O-CB 3.42Å; F123-S127 PolarHBondContact O-N 2.91Å; F123-S127 PolarHBondContact O-OG 3.41Å; F123-Q167 VanDerWaalsContact CZ-OE1 3.26Å; F123-Y170 HydrophobicContact CB-CD2 4.5Å; F123-Y170 HydrophobicContact CB-CE1 4.17Å; F123-Y170 HydrophobicContact CB-CE2 3.68Å; F123-Y170 VanDerWaalsContact CB-CZ 3.47Å; F123-Y170 WeakPolarHBondContact CB-OH 3.43Å; F123-Y170 AromaticContact CD1-CD1 3.83Å; F123-Y170 HydrophobicContact CD1-CD1 3.83Å; F123-Y170 AromaticContact CD1-CE1 3.36Å; F123-Y170 HydrophobicContact CD1-CE1 3.36Å; F123-Y170 HydrophobicContact CD1-CE2 4.3Å; F123-Y170 HydrophobicContact CD1-CG 4.46Å; F123-Y170 AromaticContact CD1-CZ 3.62Å; F123-Y170 AromaticContact CD2-CD1 3.69Å; F123-Y170 HydrophobicContact CD2-CD1 3.69Å; F123-Y170 AromaticContact CD2-CD2 3.31Å; F123-Y170 HydrophobicContact CD2-CD2 3.31Å; F123-Y170 AromaticContact CD2-CE1 3.75Å; F123-Y170 HydrophobicContact CD2-CE1 3.75Å; F123-Y170 AromaticContact CD2-CE2 3.37Å; F123-Y170 HydrophobicContact CD2-CE2 3.37Å; F123-Y170 AromaticContact CD2-CG 3.47Å; F123-Y170 HydrophobicContact CD2-CG 3.47Å; F123-Y170 VanDerWaalsContact CD2-CG 3.47Å; F123-Y170 AromaticContact CD2-CZ 3.59Å; F123-Y170 AromaticContact CE1-CD1 3.57Å; F123-Y170 HydrophobicContact CE1-CD1 3.57Å; F123-Y170 AromaticContact CE1-CE1 3.56Å; F123-Y170 HydrophobicContact CE1-CE1 3.56Å; F123-Y170 HydrophobicContact CE1-CG 4.28Å; F123-Y170 AromaticContact CE2-CD1 3.41Å; F123-Y170 HydrophobicContact CE2-CD1 3.41Å; F123-Y170 VanDerWaalsContact CE2-CD1 3.41Å; F123-Y170 AromaticContact CE2-CD2 3.58Å; F123-Y170 HydrophobicContact CE2-CD2 3.58Å; F123-Y170 AromaticContact CE2-CE1 3.92Å; F123-Y170 HydrophobicContact CE2-CE1 3.92Å; F123-Y170 HydrophobicContact CE2-CE2 4.06Å; F123-Y170 AromaticContact CE2-CG 3.21Å; F123-Y170 HydrophobicContact CE2-CG 3.21Å; F123-Y170 AromaticContact CG-CD1 3.87Å; F123-Y170 HydrophobicContact CG-CD1 3.87Å; F123-Y170 AromaticContact CG-CD2 3.92Å; F123-Y170 HydrophobicContact CG-CD2 3.92Å; F123-Y170 AromaticContact CG-CE1 3.45Å; F123-Y170 HydrophobicContact CG-CE1 3.45Å; F123-Y170 VanDerWaalsContact CG-CE1 3.45Å; F123-Y170 AromaticContact CG-CE2 3.49Å; F123-Y170 HydrophobicContact CG-CE2 3.49Å; F123-Y170 VanDerWaalsContact CG-CE2 3.49Å; F123-Y170 HydrophobicContact CG-CG 4.09Å; F123-Y170 AromaticContact CG-CZ 3.23Å; F123-Y170 AromaticContact CZ-CD1 3.34Å; F123-Y170 HydrophobicContact CZ-CD1 3.34Å; F123-Y170 HydrophobicContact CZ-CD2 4.38Å; F123-Y170 AromaticContact CZ-CE1 3.82Å; F123-Y170 HydrophobicContact CZ-CE1 3.82Å; F123-Y170 AromaticContact CZ-CG 3.66Å; F123-Y170 HydrophobicContact CZ-CG 3.66Å; F123-W171 HydrophobicContact CD1-CZ2 4.33Å; F123-W171 AromaticContact CE1-CE2 3.9Å; F123-W171 AromaticContact CE1-CZ2 3.66Å; F123-W171 HydrophobicContact CE1-CZ2 3.66Å; F123-W171 AromaticContact CE1-NE1 3.89Å; F123-W171 HydrophobicContact CZ-CZ2 4.49Å; F123-W171 AromaticContact CZ-NE1 3.9Å; F123-Y222 AromaticContact CE1-CE1 3.99Å; F123-Y222 HydrophobicContact CE1-CE1 3.99Å; F123-Y222 AromaticContact CE1-CZ 3.94Å
124H98.4Very high97.6Very high0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-68.5-31.5-179.9-69.3-49.9000112.1L120 S128 W171 Y222 M226 H229L120-H124 VanDerWaalsContact O-CB 3.25Å; L120-H124 WeakPolarHBondContact O-CB 3.47Å; L120-H124 PolarHBondContact O-CD2 3.14Å; L120-H124 VanDerWaalsContact O-CG 3.25Å; L120-H124 PolarHBondContact O-N 3.08Å; H124-S128 WeakPolarHBondContact O-CB 3.41Å; H124-S128 PolarHBondContact O-N 3.5Å; H124-S128 PolarHBondContact O-OG 3.22Å; H124-W171 AromaticContact CE1-CZ2 3.99Å; H124-Y222 AromaticContact CE1-CD1 3.49Å; H124-Y222 VanDerWaalsContact CE1-CD1 3.49Å; H124-Y222 WeakPolarHBondContact CE1-CD1 3.26Å; H124-Y222 AromaticContact CE1-CE1 3.8Å; H124-Y222 AromaticContact ND1-CD1 3.13Å; H124-Y222 WeakPolarHBondContact ND1-CD1 3.45Å; H124-Y222 AromaticContact ND1-CE1 3.71Å; H124-Y222 AromaticContact ND1-CG 3.7Å; H124-M226 HydrophobicContact CB-CB 3.87Å; H124-H229 AromaticContact CD2-CD2 3.91Å
125L98.4Very high97.6Very high86 Ų8635.7 Ų35.745%0.4518%0.179SC..Hα-helixtrans-63-56.3172.217462.8000111.4C121 V122 F123 S127 S128 V129 M226C121-L125 VanDerWaalsContact O-CB 3.23Å; C121-L125 WeakPolarHBondContact O-CB 3.48Å; C121-L125 PolarHBondContact O-N 3.16Å; V122-L125 PolarHBondContact O-N 3.34Å; F123-L125 VanDerWaalsContact C-N 3.33Å; F123-L125 PolarHBondContact O-N 3Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.5Å; L125-S128 PolarHBondContact O-N 3.05Å; L125-V129 HydrophobicContact CD1-CG2 4.2Å; L125-V129 WeakPolarHBondContact O-CG2 3.44Å; L125-V129 PolarHBondContact O-N 3.25Å; L125-M226 VanDerWaalsContact CA-SD 3.59Å; L125-M226 HydrophobicContact CB-SD 3.87Å; L125-M226 HydrophobicContact CD1-SD 3.64Å; L125-M226 HydrophobicContact CG-SD 4.37Å
126V98.4Very high97.6Very high87 Ų8738.2 Ų38.253%0.52719%0.192SC..Hα-helixtrans-59.5-45.8-179.9176.50000110.8V122 F123 S128 V129 W130V122-V126 WeakPolarHBondContact O-CG2 3.49Å; V122-V126 PolarHBondContact O-N 3.14Å; F123-V126 PolarHBondContact O-N 2.89Å; V126-S128 PolarHBondContact O-N 2.97Å; V126-V129 PolarHBondContact O-N 2.94Å; V126-W130 WeakPolarHBondContact O-CB 3.46Å; V126-W130 PolarHBondContact O-N 2.89Å
127S98.4Very high97.5Very high4 Ų440 Ų403%0.02821%0.205CC..Hα-helixtrans-68.7-35.3-178.4-55.70000112.8F123 L125 S131F123-S127 WeakPolarHBondContact CD2-OG 3.22Å; F123-S127 WeakPolarHBondContact CE2-OG 3.31Å; F123-S127 WeakPolarHBondContact CZ-OG 3.16Å; F123-S127 VanDerWaalsContact O-CB 3.23Å; F123-S127 WeakPolarHBondContact O-CB 3.42Å; F123-S127 PolarHBondContact O-N 2.91Å; F123-S127 PolarHBondContact O-OG 3.41Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.5Å; S127-S131 WeakPolarHBondContact O-CB 3.42Å; S127-S131 PolarHBondContact O-N 3.08Å; S127-S131 PolarHBondContact O-OG 3.34Å
128S98.2Very high97.2Very high3 Ų341.8 Ų41.82%0.02121%0.213CC..Hα-helixtrans-66.6-46.6174.7-61.50000111.6H124 L125 V126 S131 F132 Y222 L223H124-S128 WeakPolarHBondContact O-CB 3.41Å; H124-S128 PolarHBondContact O-N 3.5Å; H124-S128 PolarHBondContact O-OG 3.22Å; L125-S128 PolarHBondContact O-N 3.05Å; V126-S128 PolarHBondContact O-N 2.97Å; S128-S131 PolarHBondContact O-N 3.02Å; S128-S131 PolarHBondContact O-OG 3.16Å; S128-S131 VanDerWaalsContact O-OG 3.05Å; S128-F132 WeakPolarHBondContact O-CB 3.34Å; S128-F132 PolarHBondContact O-N 3.28Å; S128-Y222 VanDerWaalsContact OG-C 3.24Å; S128-Y222 VanDerWaalsContact OG-CB 3.31Å; S128-Y222 WeakPolarHBondContact OG-CB 3.49Å; S128-L223 PolarHBondContact OG-N 3.14Å
129V98.4Very high96.9Very high94 Ų9442.7 Ų42.757%0.5722%0.222SC*.Hα-helixtrans-61.7-45.8178.3171.30000110.4L125 V126 F132 Y133L125-V129 HydrophobicContact CD1-CG2 4.2Å; L125-V129 WeakPolarHBondContact O-CG2 3.44Å; L125-V129 PolarHBondContact O-N 3.25Å; V126-V129 PolarHBondContact O-N 2.94Å; V129-F132 PolarHBondContact O-N 3.15Å; V129-Y133 WeakPolarHBondContact O-CB 3.38Å; V129-Y133 PolarHBondContact O-N 3.47Å
130W98.4Very high96.5Very high62 Ų6243 Ų4324%0.23522%0.223CC..Hα-helixtrans-65.7-47178.4-172.99.5000112V126 F132 Y133 I134 F162 F163 T166V126-W130 WeakPolarHBondContact O-CB 3.46Å; V126-W130 PolarHBondContact O-N 2.89Å; W130-F132 VanDerWaalsContact C-N 3.32Å; W130-F132 PolarHBondContact O-N 2.97Å; W130-Y133 PolarHBondContact O-N 3.13Å; W130-I134 WeakPolarHBondContact O-CG1 3.47Å; W130-I134 PolarHBondContact O-N 2.95Å; W130-F162 AromaticContact CH2-CD1 3.64Å; W130-F162 HydrophobicContact CH2-CD1 3.64Å; W130-F162 AromaticContact CH2-CE1 3.76Å; W130-F162 HydrophobicContact CH2-CE1 3.76Å; W130-F162 HydrophobicContact CH2-CG 4.29Å; W130-F162 AromaticContact CZ2-CD1 3.57Å; W130-F162 HydrophobicContact CZ2-CD1 3.57Å; W130-F162 HydrophobicContact CZ2-CE1 4.06Å; W130-F162 HydrophobicContact CZ2-CG 4.32Å; W130-F163 AromaticContact CD2-CD2 3.82Å; W130-F163 HydrophobicContact CD2-CD2 3.82Å; W130-F163 AromaticContact CE3-CD2 3.99Å; W130-F163 HydrophobicContact CE3-CD2 3.99Å; W130-F163 HydrophobicContact CG-CD2 4.08Å; W130-F163 HydrophobicContact CH2-CB 4.42Å; W130-F163 HydrophobicContact CZ2-CB 4.03Å; W130-F163 HydrophobicContact CZ3-CD2 4.48Å; W130-T166 HydrophobicContact CH2-CG2 4.47Å; W130-T166 HydrophobicContact CZ3-CG2 3.99Å
131S98.3Very high95.8Very high0 Ų045.5 Ų45.50%024%0.236CC..Hα-helixtrans-61.1-42.1176.459.90000111.7S127 S128 Y133 I134 L135 C219S127-S131 WeakPolarHBondContact O-CB 3.42Å; S127-S131 PolarHBondContact O-N 3.08Å; S127-S131 PolarHBondContact O-OG 3.34Å; S128-S131 PolarHBondContact O-N 3.02Å; S128-S131 PolarHBondContact O-OG 3.16Å; S128-S131 VanDerWaalsContact O-OG 3.05Å; S131-Y133 PolarHBondContact O-N 3.38Å; S131-I134 PolarHBondContact O-N 3.49Å; S131-L135 VanDerWaalsContact O-CG 3.27Å; S131-L135 WeakPolarHBondContact O-CG 3.23Å; S131-L135 PolarHBondContact O-N 3.33Å; S131-C219 WeakPolarHBondContact OG-CA 3.17Å; S131-C219 VanDerWaalsContact OG-CB 3.24Å; S131-C219 WeakPolarHBondContact OG-CB 3.29Å; S131-C219 PolarHBondContact OG-SG 3.36Å; S131-C219 VanDerWaalsContact OG-SG 3.32Å
132F97.8Very high95.2Very high100 Ų10051.4 Ų51.444%0.43926%0.26SS..Hα-helixtrans-64.5-38.8178.9-172.8-110.6000112.3S128 V129 W130 L135 I136 L141S128-F132 WeakPolarHBondContact O-CB 3.34Å; S128-F132 PolarHBondContact O-N 3.28Å; V129-F132 PolarHBondContact O-N 3.15Å; W130-F132 VanDerWaalsContact C-N 3.32Å; W130-F132 PolarHBondContact O-N 2.97Å; F132-L135 PolarHBondContact O-N 3.02Å; F132-I136 HydrophobicContact CD1-CD1 3.85Å; F132-I136 HydrophobicContact CE1-CD1 3.41Å; F132-I136 VanDerWaalsContact CE1-CD1 3.41Å; F132-I136 HydrophobicContact CE1-CG1 4.43Å; F132-I136 HydrophobicContact CE2-CD1 4.42Å; F132-I136 HydrophobicContact CZ-CD1 3.74Å; F132-I136 HydrophobicContact CZ-CG1 4.42Å; F132-I136 WeakPolarHBondContact O-CG1 3.4Å; F132-I136 PolarHBondContact O-N 3.29Å; F132-L141 HydrophobicContact CD2-CD1 4.33Å; F132-L141 HydrophobicContact CE2-CD1 3.85Å
133Y97.8Very high94.6Very high138 Ų13855 Ų5554%0.54127%0.274SS..Hα-helixtrans-60-44171.9172.9-96000112.2V129 W130 S131 I136 T137V129-Y133 WeakPolarHBondContact O-CB 3.38Å; V129-Y133 PolarHBondContact O-N 3.47Å; W130-Y133 PolarHBondContact O-N 3.13Å; S131-Y133 PolarHBondContact O-N 3.38Å; Y133-I136 PolarHBondContact O-N 3.4Å; Y133-T137 HydrophobicContact CD2-CG2 4.28Å; Y133-T137 HydrophobicContact CE1-CG2 4.13Å; Y133-T137 HydrophobicContact CE2-CG2 3.82Å; Y133-T137 WeakPolarHBondContact O-CG2 3.32Å; Y133-T137 PolarHBondContact O-N 2.91Å; Y133-T137 PolarHBondContact O-OG1 3.45Å
134I96.8Very high94Very high0 Ų057.3 Ų57.30%029%0.29CS..Hα-helixtrans-64-45.1175-59.2165.4000110.1W130 S131 I136 T137 E138 Q159 V160 F163 L215W130-I134 WeakPolarHBondContact O-CG1 3.47Å; W130-I134 PolarHBondContact O-N 2.95Å; S131-I134 PolarHBondContact O-N 3.49Å; I134-I136 VanDerWaalsContact C-N 3.26Å; I134-I136 PolarHBondContact O-N 2.89Å; I134-T137 WeakPolarHBondContact CA-OG1 3.32Å; I134-T137 PolarHBondContact O-N 2.92Å; I134-T137 PolarHBondContact O-OG1 3.13Å; I134-E138 HydrophobicContact CG2-CG 3.62Å; I134-E138 VanDerWaalsContact O-CB 3.29Å; I134-E138 WeakPolarHBondContact O-CB 3.33Å; I134-E138 VanDerWaalsContact O-CG 3.22Å; I134-E138 WeakPolarHBondContact O-CG 3.41Å; I134-E138 PolarHBondContact O-N 3.39Å; I134-Q159 HydrophobicContact CD1-CB 4.44Å; I134-Q159 WeakPolarHBondContact CD1-O 3.36Å; I134-Q159 HydrophobicContact CG1-CB 4.21Å; I134-Q159 HydrophobicContact CG1-CG 4.14Å; I134-Q159 HydrophobicContact CG2-CG 4.24Å; I134-V160 HydrophobicContact CG2-CG2 3.77Å; I134-F163 HydrophobicContact CD1-CB 3.64Å; I134-F163 HydrophobicContact CD1-CD2 4.07Å; I134-F163 HydrophobicContact CD1-CG 3.94Å; I134-L215 HydrophobicContact CB-CD2 3.96Å; I134-L215 HydrophobicContact CD1-CD1 4.46Å; I134-L215 HydrophobicContact CG2-CD2 3.42Å; I134-L215 VanDerWaalsContact CG2-CD2 3.42Å
135L95.6Very high93.5Very high3 Ų359.1 Ų59.12%0.01630%0.303CS..Hα-helixtrans-60.8-31.9-179.8-70-178.5000113.8S131 F132 G139 Y140 L141 L215 V216 C219S131-L135 VanDerWaalsContact O-CG 3.27Å; S131-L135 WeakPolarHBondContact O-CG 3.23Å; S131-L135 PolarHBondContact O-N 3.33Å; F132-L135 PolarHBondContact O-N 3.02Å; L135-G139 PolarHBondContact O-N 3.36Å; L135-Y140 HydrophobicContact CD2-CD2 3.76Å; L135-Y140 HydrophobicContact CD2-CG 4.37Å; L135-Y140 PolarHBondContact O-N 2.93Å; L135-Y140 VanDerWaalsContact O-N 3.15Å; L135-L141 HydrophobicContact CB-CD1 4.18Å; L135-L141 HydrophobicContact CB-CD2 4.35Å; L135-L141 HydrophobicContact CB-CG 3.99Å; L135-L141 HydrophobicContact CD1-CD2 4.18Å; L135-L215 HydrophobicContact CD2-CB 4.38Å; L135-L215 HydrophobicContact CD2-CD2 3.75Å; L135-L215 HydrophobicContact CD2-CG 3.84Å; L135-L215 HydrophobicContact CG-CD2 4.35Å; L135-L215 HydrophobicContact CG-CG 4.34Å; L135-V216 HydrophobicContact CD1-CG2 4.27Å; L135-V216 HydrophobicContact CD2-CB 4.42Å; L135-V216 HydrophobicContact CD2-CG2 3.47Å; L135-V216 VanDerWaalsContact CD2-CG2 3.47Å; L135-C219 HydrophobicContact CD1-CB 3.63Å
136I94.8Very high93.2Very high76 Ų7655.9 Ų55.939%0.3929%0.287SS..Hα-helixtrans-75.6-51172.4-69.7171.3000110.9F132 Y133 I134 E138 G139 L141F132-I136 HydrophobicContact CD1-CD1 3.85Å; F132-I136 HydrophobicContact CE1-CD1 3.41Å; F132-I136 VanDerWaalsContact CE1-CD1 3.41Å; F132-I136 HydrophobicContact CE1-CG1 4.43Å; F132-I136 HydrophobicContact CE2-CD1 4.42Å; F132-I136 HydrophobicContact CZ-CD1 3.74Å; F132-I136 HydrophobicContact CZ-CG1 4.42Å; F132-I136 WeakPolarHBondContact O-CG1 3.4Å; F132-I136 PolarHBondContact O-N 3.29Å; Y133-I136 PolarHBondContact O-N 3.4Å; I134-I136 VanDerWaalsContact C-N 3.26Å; I134-I136 PolarHBondContact O-N 2.89Å; I136-E138 VanDerWaalsContact C-N 3.29Å; I136-E138 PolarHBondContact O-N 3.49Å; I136-G139 PolarHBondContact O-N 2.91Å; I136-G139 VanDerWaalsContact O-N 3.09Å; I136-L141 HydrophobicContact CG1-CD1 4.16Å
137T93.6Very high92.9Very high69 Ų6952.1 Ų52.142%0.42326%0.264SS..Hα-helixtrans-69.2-26.5-173.848.70000113.4Y133 I134 Q159Y133-T137 HydrophobicContact CD2-CG2 4.28Å; Y133-T137 HydrophobicContact CE1-CG2 4.13Å; Y133-T137 HydrophobicContact CE2-CG2 3.82Å; Y133-T137 WeakPolarHBondContact O-CG2 3.32Å; Y133-T137 PolarHBondContact O-N 2.91Å; Y133-T137 PolarHBondContact O-OG1 3.45Å; I134-T137 WeakPolarHBondContact CA-OG1 3.32Å; I134-T137 PolarHBondContact O-N 2.92Å; I134-T137 PolarHBondContact O-OG1 3.13Å; T137-Q159 PolarHBondContact OG1-NE2 3.3Å
138E90.6Very high92.7Very high38 Ų3854.2 Ų54.218%0.17827%0.272CS..THydrogen-bonded Turntrans-90.1-5172.7-57.8-66.7148.900113.9I134 I136 Y140 R157 Q159 V160I134-E138 HydrophobicContact CG2-CG 3.62Å; I134-E138 VanDerWaalsContact O-CB 3.29Å; I134-E138 WeakPolarHBondContact O-CB 3.33Å; I134-E138 VanDerWaalsContact O-CG 3.22Å; I134-E138 WeakPolarHBondContact O-CG 3.41Å; I134-E138 PolarHBondContact O-N 3.39Å; I136-E138 VanDerWaalsContact C-N 3.29Å; I136-E138 PolarHBondContact O-N 3.49Å; E138-Y140 VanDerWaalsContact C-N 3.28Å; E138-Y140 HydrophobicContact CB-CD1 3.72Å; E138-Y140 HydrophobicContact CB-CD2 4.19Å; E138-Y140 HydrophobicContact CB-CE1 3.36Å; E138-Y140 HydrophobicContact CB-CE2 3.86Å; E138-Y140 HydrophobicContact CB-CG 4.09Å; E138-Y140 HydrophobicContact CG-CE1 4.25Å; E138-Y140 HydrophobicContact CG-CE2 4.15Å; E138-Y140 VanDerWaalsContact O-CD1 3.3Å; E138-Y140 WeakPolarHBondContact O-CD1 3.31Å; E138-Y140 WeakPolarHBondContact O-CE1 3.33Å; E138-Y140 PolarHBondContact O-N 3.25Å; E138-Y140 PolarHBondContact OE2-OH 3.46Å; E138-R157 VanDerWaalsContact CD-CD 3.47Å; E138-R157 WeakPolarHBondContact OE1-CD 3.48Å; E138-R157 IonicContact OE1-NE 3.39Å; E138-R157 WeakPolarHBondContact OE2-CD 3.07Å; E138-R157 IonicContact OE2-NE 3.13Å; E138-R157 PolarHBondContact OE2-NE 2.9Å; E138-Q159 PolarHBondContact OE1-NE2 3.11Å; E138-V160 HydrophobicContact CG-CG2 4.17Å
139G89.9Confident92.5Very high18 Ų1858.3 Ų58.319%0.18629%0.29CS..  trans73.65.8178.300000116.5L135 I136 L141 F142 H143L135-G139 PolarHBondContact O-N 3.36Å; I136-G139 PolarHBondContact O-N 2.91Å; I136-G139 VanDerWaalsContact O-N 3.09Å; G139-L141 PolarHBondContact O-N 3.15Å; G139-L141 VanDerWaalsContact O-N 3.08Å; G139-F142 PolarHBondContact O-N 3.25Å; G139-H143 PolarHBondContact O-N 3.5Å
140Y89.4Confident92.1Very high20 Ų2060.5 Ų60.58%0.07830%0.299CS..THydrogen-bonded Turntrans-61.9-21.1-172.7-61.5-10.5000114.3L135 E138 L147 R212 L215L135-Y140 HydrophobicContact CD2-CD2 3.76Å; L135-Y140 HydrophobicContact CD2-CG 4.37Å; L135-Y140 PolarHBondContact O-N 2.93Å; L135-Y140 VanDerWaalsContact O-N 3.15Å; E138-Y140 VanDerWaalsContact C-N 3.28Å; E138-Y140 HydrophobicContact CB-CD1 3.72Å; E138-Y140 HydrophobicContact CB-CD2 4.19Å; E138-Y140 HydrophobicContact CB-CE1 3.36Å; E138-Y140 HydrophobicContact CB-CE2 3.86Å; E138-Y140 HydrophobicContact CB-CG 4.09Å; E138-Y140 HydrophobicContact CG-CE1 4.25Å; E138-Y140 HydrophobicContact CG-CE2 4.15Å; E138-Y140 VanDerWaalsContact O-CD1 3.3Å; E138-Y140 WeakPolarHBondContact O-CD1 3.31Å; E138-Y140 WeakPolarHBondContact O-CE1 3.33Å; E138-Y140 PolarHBondContact O-N 3.25Å; E138-Y140 PolarHBondContact OE2-OH 3.46Å; Y140-L147 HydrophobicContact CG-CD2 4.44Å; Y140-R212 HydrophobicContact CD2-CB 4.21Å; Y140-R212 HydrophobicContact CD2-CG 4.37Å; Y140-R212 HydrophobicContact CE1-CG 4.01Å; Y140-R212 HydrophobicContact CE2-CB 4.05Å; Y140-R212 HydrophobicContact CE2-CG 3.78Å; Y140-L215 HydrophobicContact CD2-CD2 4.21Å; Y140-L215 HydrophobicContact CE2-CD2 4Å
141L84.8Confident91.9Very high74 Ų7458.1 Ų58.139%0.38729%0.29SS..THydrogen-bonded Turntrans-77.7-28.8175.5-63.7176.9000113.6F132 L135 I136 G139F132-L141 HydrophobicContact CD2-CD1 4.33Å; F132-L141 HydrophobicContact CE2-CD1 3.85Å; L135-L141 HydrophobicContact CB-CD1 4.18Å; L135-L141 HydrophobicContact CB-CD2 4.35Å; L135-L141 HydrophobicContact CB-CG 3.99Å; L135-L141 HydrophobicContact CD1-CD2 4.18Å; I136-L141 HydrophobicContact CG1-CD1 4.16Å; G139-L141 PolarHBondContact O-N 3.15Å; G139-L141 VanDerWaalsContact O-N 3.08Å
142F85.6Confident91.7Very high141 Ų14159.7 Ų59.762%0.61830%0.3SS*.THydrogen-bonded Turntrans-91.3-22.3-172-55.6-66.8000112.7G139G139-F142 PolarHBondContact O-N 3.25Å
143H85.8Confident91.5Very high123 Ų12355.3 Ų55.357%0.56928%0.281SS*.  trans-12682178.3-56.5-69.4000110.5G139 S145 S146G139-H143 PolarHBondContact O-N 3.5Å; H143-S145 PolarHBondContact O-N 2.97Å; H143-S145 VanDerWaalsContact O-N 3.09Å; H143-S146 VanDerWaalsContact O-CB 3.23Å; H143-S146 WeakPolarHBondContact O-CB 3.41Å; H143-S146 PolarHBondContact O-N 3.42Å; H143-S146 PolarHBondContact O-OG 3.12Å
144P83.8Confident91.3Very high68 Ų6849.9 Ų49.944%0.44226%0.262SS..G310 helixtrans-58.2-27.1-174.4-27.736000114.8S146 L147 W148P144-S146 VanDerWaalsContact C-N 3.33Å; P144-L147 WeakPolarHBondContact O-CB 3.38Å; P144-L147 WeakPolarHBondContact O-CD1 3.49Å; P144-L147 WeakPolarHBondContact O-CG 3.33Å; P144-L147 PolarHBondContact O-N 2.88Å; P144-W148 WeakPolarHBondContact O-CZ3 3.44Å
145S89.5Confident91.1Very high37 Ų3754.6 Ų54.626%0.25928%0.284SS..G310 helixtrans-72.3-24.3177.162.20000113.9H143 L147 W148 E149H143-S145 PolarHBondContact O-N 2.97Å; H143-S145 VanDerWaalsContact O-N 3.09Å; S145-L147 PolarHBondContact O-N 2.95Å; S145-W148 PolarHBondContact O-N 3.17Å; S145-E149 VanDerWaalsContact CB-CD 3.47Å; S145-E149 WeakPolarHBondContact CB-OE1 3.29Å; S145-E149 WeakPolarHBondContact O-CB 3.31Å; S145-E149 WeakPolarHBondContact O-CG 3.32Å; S145-E149 PolarHBondContact O-N 2.94Å; S145-E149 PolarHBondContact OG-OE1 2.97Å; S145-E149 PolarHBondContact OG-OE2 3.45Å
146S91.3Very high91Very high18 Ų1854.9 Ų54.913%0.12629%0.285CS..G310 helixtrans-58.1-17.2172.874.10000113.5H143 P144 W148 R212H143-S146 VanDerWaalsContact O-CB 3.23Å; H143-S146 WeakPolarHBondContact O-CB 3.41Å; H143-S146 PolarHBondContact O-N 3.42Å; H143-S146 PolarHBondContact O-OG 3.12Å; P144-S146 VanDerWaalsContact C-N 3.33Å; S146-W148 VanDerWaalsContact C-N 3.27Å; S146-W148 PolarHBondContact O-N 3.43Å; S146-R212 WeakPolarHBondContact O-CD 3.21Å; S146-R212 PolarHBondContact O-NH1 3.34Å
147L93.4Very high91Very high8 Ų857.5 Ų57.54%0.04229%0.29CS..G310 helixtrans-67.3-23.5175.5-59.4179.8000113.2Y140 P144 S145 H153 R212 V213 V216 L262Y140-L147 HydrophobicContact CG-CD2 4.44Å; P144-L147 WeakPolarHBondContact O-CB 3.38Å; P144-L147 WeakPolarHBondContact O-CD1 3.49Å; P144-L147 WeakPolarHBondContact O-CG 3.33Å; P144-L147 PolarHBondContact O-N 2.88Å; S145-L147 PolarHBondContact O-N 2.95Å; L147-H153 PolarHBondContact O-CE1 3.02Å; L147-R212 HydrophobicContact CD2-CB 4.07Å; L147-V213 HydrophobicContact CB-CG2 3.97Å; L147-V213 VanDerWaalsContact O-CG2 3.29Å; L147-V213 WeakPolarHBondContact O-CG2 3.42Å; L147-V216 HydrophobicContact CD1-CG2 4.44Å; L147-V216 HydrophobicContact CD2-CG2 3.74Å; L147-L262 HydrophobicContact CD1-CD2 4.36Å
148W93.8Very high91.1Very high49 Ų4958.8 Ų58.819%0.18629%0.29CS..THydrogen-bonded Turntrans-129.4-22.3177.76483.1000113.9P144 S145 S146 Y151 L265 A266 L271P144-W148 WeakPolarHBondContact O-CZ3 3.44Å; S145-W148 PolarHBondContact O-N 3.17Å; S146-W148 VanDerWaalsContact C-N 3.27Å; S146-W148 PolarHBondContact O-N 3.43Å; W148-Y151 VanDerWaalsContact O-CB 3.3Å; W148-Y151 WeakPolarHBondContact O-CB 3.49Å; W148-Y151 PolarHBondContact O-N 3.06Å; W148-L265 HydrophobicContact CH2-CD1 4.11Å; W148-L265 HydrophobicContact CH2-CD2 3.73Å; W148-L265 HydrophobicContact CH2-CG 3.58Å; W148-L265 HydrophobicContact CZ2-CG 4.48Å; W148-L265 HydrophobicContact CZ3-CD2 3.89Å; W148-L265 HydrophobicContact CZ3-CG 3.71Å; W148-A266 HydrophobicContact CB-CB 4.34Å; W148-A266 HydrophobicContact CD2-CB 4.4Å; W148-A266 VanDerWaalsContact CE3-CA 3.45Å; W148-A266 HydrophobicContact CE3-CB 3.61Å; W148-A266 HydrophobicContact CZ3-CB 4.31Å; W148-L271 HydrophobicContact CB-CD2 3.99Å; W148-L271 HydrophobicContact CB-CG 4.2Å
149E92.5Very high91.3Very high89 Ų8958.8 Ų58.842%0.41629%0.29SS..THydrogen-bonded Turntrans-59142.4171.6-74.4167.8-179.200111.2S145 Y151 H153 R212S145-E149 VanDerWaalsContact CB-CD 3.47Å; S145-E149 WeakPolarHBondContact CB-OE1 3.29Å; S145-E149 WeakPolarHBondContact O-CB 3.31Å; S145-E149 WeakPolarHBondContact O-CG 3.32Å; S145-E149 PolarHBondContact O-N 2.94Å; S145-E149 PolarHBondContact OG-OE1 2.97Å; S145-E149 PolarHBondContact OG-OE2 3.45Å; E149-Y151 PolarHBondContact O-N 3.16Å; E149-Y151 VanDerWaalsContact O-N 3.14Å; E149-H153 PolarHBondContact O-NE2 3.42Å; E149-R212 PolarHBondContact O-NH1 2.94Å
150N91.3Very high91.6Very high140 Ų14058 Ų5875%0.74928%0.282SS*.THydrogen-bonded Turntrans55.625.8-178.3-52-42.3000113.8H153N150-H153 PolarHBondContact O-CD2 3.18Å; N150-H153 VanDerWaalsContact O-CD2 3.26Å
151Y93.9Very high92Very high12 Ų1257 Ų575%0.04728%0.278CS..  trans-62.9140.9162.7177.6-85.7000109.3W148 E149 H153 L208 N209 L210 L271 N276 N285 F286 N287W148-Y151 VanDerWaalsContact O-CB 3.3Å; W148-Y151 WeakPolarHBondContact O-CB 3.49Å; W148-Y151 PolarHBondContact O-N 3.06Å; E149-Y151 PolarHBondContact O-N 3.16Å; E149-Y151 VanDerWaalsContact O-N 3.14Å; Y151-H153 PolarHBondContact N-NE2 2.88Å; Y151-L208 WeakPolarHBondContact CE2-O 3.23Å; Y151-L208 PolarHBondContact OH-O 2.79Å; Y151-N209 HydrophobicContact CE2-CB 4.22Å; Y151-N209 WeakPolarHBondContact CE2-O 3.14Å; Y151-L210 HydrophobicContact CD2-CD2 3.94Å; Y151-L210 HydrophobicContact CE2-CD2 3.53Å; Y151-L210 HydrophobicContact CE2-CG 4.11Å; Y151-L271 VanDerWaalsContact CB-CD2 3.44Å; Y151-L271 HydrophobicContact CD1-CD2 3.8Å; Y151-L271 HydrophobicContact CD2-CD1 4.45Å; Y151-L271 HydrophobicContact CD2-CD2 4.03Å; Y151-L271 HydrophobicContact CG-CD2 3.45Å; Y151-L271 VanDerWaalsContact CG-CD2 3.45Å; Y151-N276 PolarHBondContact O-ND2 3.22Å; Y151-N285 WeakPolarHBondContact CE1-OD1 3.41Å; Y151-F286 WeakPolarHBondContact OH-CB 3.38Å; Y151-F286 PolarHBondContact OH-N 3.37Å; Y151-F286 VanDerWaalsContact OH-N 3.15Å; Y151-N287 HydrophobicContact CD1-CB 4.24Å; Y151-N287 HydrophobicContact CE1-CB 3.86Å
152P94.3Very high92.6Very high32 Ų3255.1 Ų55.121%0.20827%0.266CS..  cis-77.9137.84.530.4-35.3000114.5V154 N209 L283 G284 N285P152-V154 HydrophobicContact CB-CG2 3.85Å; P152-V154 HydrophobicContact CG-CG2 3.88Å; P152-V154 PolarHBondContact O-N 3.41Å; P152-N209 HydrophobicContact CB-CB 4Å; P152-L283 VanDerWaalsContact CG-O 3.28Å; P152-L283 WeakPolarHBondContact CG-O 3.48Å; P152-G284 WeakPolarHBondContact CB-O 3.34Å; P152-N285 HydrophobicContact CG-CB 4.13Å
153H92.2Very high93.2Very high9 Ų948.4 Ų48.44%0.04224%0.237CC..  trans-83.354.6178.6-54.7138.4000112.4L147 E149 N150 Y151 H155 L156 R212L147-H153 PolarHBondContact O-CE1 3.02Å; E149-H153 PolarHBondContact O-NE2 3.42Å; N150-H153 PolarHBondContact O-CD2 3.18Å; N150-H153 VanDerWaalsContact O-CD2 3.26Å; Y151-H153 PolarHBondContact N-NE2 2.88Å; H153-H155 VanDerWaalsContact C-N 3.28Å; H153-H155 PolarHBondContact O-N 3.28Å; H153-L156 WeakPolarHBondContact O-CD2 3.45Å; H153-R212 VanDerWaalsContact CD2-CZ 3.44Å; H153-R212 WeakPolarHBondContact ND1-CG 3.23Å; H153-R212 PolarHBondContact NE2-NH1 2.62Å
154V93.7Very high93.9Very high23 Ų2342.5 Ų42.514%0.13921%0.21CC..  trans-60-35.6-174.9-174.50000112.6Q69 P152 L283Q69-V154 HydrophobicContact CG-CG1 4.05Å; P152-V154 HydrophobicContact CB-CG2 3.85Å; P152-V154 HydrophobicContact CG-CG2 3.88Å; P152-V154 PolarHBondContact O-N 3.41Å; V154-L283 WeakPolarHBondContact CG2-O 3.24Å
155H93.4Very high94.6Very high99 Ų9939.3 Ų39.346%0.45819%0.189SC..  trans-94109.6-177.9-60.8101.7000111L67 Q69 H153L67-H155 HydrophobicContact CB-CB 4.21Å; L67-H155 HydrophobicContact CD1-CB 3.97Å; Q69-H155 PolarHBondContact NE2-NE2 3.07Å; Q69-H155 VanDerWaalsContact NE2-NE2 3.16Å; H153-H155 VanDerWaalsContact C-N 3.28Å; H153-H155 PolarHBondContact O-N 3.28Å
156L94.6Very high95Very high9 Ų938.6 Ų38.65%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-102.9139.3179.8-52.3177.5000110.1L67 Y68 H153 V160 K161 Y206 S211L67-L156 CarbonylContact C-O 3.37Å; Y68-L156 PolarHBondContact N-O 3.38Å; Y68-L156 WeakPolarHBondContact O-CB 3.37Å; Y68-L156 PolarHBondContact O-N 3.16Å; H153-L156 WeakPolarHBondContact O-CD2 3.45Å; L156-V160 HydrophobicContact CB-CB 4.49Å; L156-V160 HydrophobicContact CD2-CG1 4.17Å; L156-K161 HydrophobicContact CB-CB 4.11Å; L156-K161 HydrophobicContact CD1-CB 4.04Å; L156-Y206 HydrophobicContact CD1-CD2 4.3Å; L156-Y206 HydrophobicContact CD1-CE2 3.68Å; L156-S211 VanDerWaalsContact CD2-OG 3.27Å; L156-S211 WeakPolarHBondContact CD2-OG 3.34Å
157R94.1Very high95.3Very high131 Ų13137.8 Ų37.849%0.49418%0.177SC..EExtended strand (participates in β ladder)trans-70.6155.8163.9-72.9165.5-173.5-87.710.1110.1L67 E138 Q159 V160 K161L67-R157 HydrophobicContact CD2-CG 3.89Å; E138-R157 VanDerWaalsContact CD-CD 3.47Å; E138-R157 WeakPolarHBondContact OE1-CD 3.48Å; E138-R157 IonicContact OE1-NE 3.39Å; E138-R157 WeakPolarHBondContact OE2-CD 3.07Å; E138-R157 IonicContact OE2-NE 3.13Å; E138-R157 PolarHBondContact OE2-NE 2.9Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; R157-Q159 PolarHBondContact O-N 2.94Å; R157-Q159 VanDerWaalsContact O-N 3.16Å; R157-V160 PolarHBondContact O-N 2.99Å; R157-K161 PolarHBondContact O-N 3.03Å; R157-K161 VanDerWaalsContact O-N 3.14Å
158F94.8Very high95.6Very high96 Ų9638 Ų3842%0.42118%0.178SC..Hα-helixtrans-43.3-51.9179.3172.8-93.6000112.7P52 Y68 V160 K161 F162P52-F158 HydrophobicContact CG-CD2 3.92Å; P52-F158 HydrophobicContact CG-CE2 3.62Å; P52-F158 HydrophobicContact CG-CZ 4.48Å; Y68-F158 HydrophobicContact CD2-CB 4.32Å; Y68-F158 HydrophobicContact CE2-CB 3.72Å; Y68-F158 HydrophobicContact CE2-CD2 4.31Å; F158-V160 PolarHBondContact O-N 3.17Å; F158-K161 PolarHBondContact O-N 3.42Å; F158-F162 HydrophobicContact CE1-CB 4.24Å; F158-F162 AromaticContact CE1-CD1 3.98Å; F158-F162 HydrophobicContact CE1-CD1 3.98Å; F158-F162 HydrophobicContact CE1-CG 4.3Å; F158-F162 HydrophobicContact CZ-CB 4.22Å; F158-F162 AromaticContact CZ-CD1 3.97Å; F158-F162 HydrophobicContact CZ-CD1 3.97Å; F158-F162 HydrophobicContact CZ-CG 4.05Å; F158-F162 WeakPolarHBondContact O-CB 3.48Å; F158-F162 PolarHBondContact O-N 3.23Å
159Q95.4Very high95.8Very high38 Ų3835.7 Ų35.718%0.17817%0.17CC..Hα-helixtrans-62.6-37.9-175.861.3173.1-4.700113.7I134 T137 E138 R157 F163I134-Q159 HydrophobicContact CD1-CB 4.44Å; I134-Q159 WeakPolarHBondContact CD1-O 3.36Å; I134-Q159 HydrophobicContact CG1-CB 4.21Å; I134-Q159 HydrophobicContact CG1-CG 4.14Å; I134-Q159 HydrophobicContact CG2-CG 4.24Å; T137-Q159 PolarHBondContact OG1-NE2 3.3Å; E138-Q159 PolarHBondContact OE1-NE2 3.11Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; R157-Q159 PolarHBondContact O-N 2.94Å; R157-Q159 VanDerWaalsContact O-N 3.16Å; Q159-F163 VanDerWaalsContact O-CB 3.24Å; Q159-F163 WeakPolarHBondContact O-CB 3.39Å; Q159-F163 PolarHBondContact O-N 3.29Å
160V96.7Very high96.1Very high1 Ų132.5 Ų32.51%0.00615%0.154CC..Hα-helixtrans-67.7-51.9178.3-178.10000109.5I134 E138 L156 R157 F158 F162 F163 Y164I134-V160 HydrophobicContact CG2-CG2 3.77Å; E138-V160 HydrophobicContact CG-CG2 4.17Å; L156-V160 HydrophobicContact CB-CB 4.49Å; L156-V160 HydrophobicContact CD2-CG1 4.17Å; R157-V160 PolarHBondContact O-N 2.99Å; F158-V160 PolarHBondContact O-N 3.17Å; V160-F162 PolarHBondContact O-N 3Å; V160-F163 PolarHBondContact O-N 2.82Å; V160-Y164 HydrophobicContact CG1-CD2 4.29Å; V160-Y164 HydrophobicContact CG1-CE2 4.34Å; V160-Y164 WeakPolarHBondContact O-CD2 3.44Å; V160-Y164 PolarHBondContact O-N 3.22Å
161K97.6Very high96.5Very high0 Ų026 Ų260%012%0.119CC..Hα-helixtrans-60.1-49.8178.8177.8169177.2162.40111.1P52 Q53 Y68 Q69 D74 L156 R157 F158 F163 Y164 L165 Y206P52-K161 HydrophobicContact CB-CD 3.92Å; P52-K161 HydrophobicContact CB-CG 4.21Å; Q53-K161 PolarHBondContact O-NZ 3.32Å; Y68-K161 HydrophobicContact CD1-CD 4.23Å; Y68-K161 HydrophobicContact CG-CD 4.16Å; Q69-K161 PolarHBondContact O-NZ 3.32Å; D74-K161 VanDerWaalsContact CG-CE 3.42Å; D74-K161 WeakPolarHBondContact OD1-CE 3.35Å; D74-K161 IonicContact OD1-NZ 3.79Å; D74-K161 PolarHBondContact OD1-NZ 3.44Å; D74-K161 WeakPolarHBondContact OD2-CE 3.41Å; D74-K161 IonicContact OD2-NZ 2.72Å; D74-K161 PolarHBondContact OD2-NZ 3.12Å; L156-K161 HydrophobicContact CB-CB 4.11Å; L156-K161 HydrophobicContact CD1-CB 4.04Å; R157-K161 PolarHBondContact O-N 3.03Å; R157-K161 VanDerWaalsContact O-N 3.14Å; F158-K161 PolarHBondContact O-N 3.42Å; K161-F163 VanDerWaalsContact C-N 3.33Å; K161-F163 PolarHBondContact O-N 3.02Å; K161-Y164 WeakPolarHBondContact O-CB 3.25Å; K161-Y164 PolarHBondContact O-N 3.45Å; K161-Y164 VanDerWaalsContact O-N 3.12Å; K161-L165 HydrophobicContact CG-CD1 4.24Å; K161-L165 HydrophobicContact CG-CG 4.28Å; K161-L165 WeakPolarHBondContact O-CG 3.41Å; K161-L165 PolarHBondContact O-N 2.93Å; K161-Y206 VanDerWaalsContact CE-OH 3.24Å; K161-Y206 WeakPolarHBondContact CE-OH 3.28Å; K161-Y206 HydrophobicContact CG-CE2 4.38Å
162F97.8Very high96.7Very high34 Ų3427.2 Ų27.215%0.14913%0.126CC..Hα-helixtrans-62-40.5-176.3-174.2-130.4000112P52 Y81 W130 F158 V160 Y164 L165 T166P52-F162 HydrophobicContact CG-CB 4.13Å; P52-F162 HydrophobicContact CG-CD2 4.06Å; P52-F162 HydrophobicContact CG-CG 4.4Å; Y81-F162 HydrophobicContact CD1-CE2 4.28Å; Y81-F162 HydrophobicContact CD1-CZ 4.31Å; Y81-F162 HydrophobicContact CD2-CE2 4.05Å; Y81-F162 AromaticContact CE1-CE2 3.78Å; Y81-F162 HydrophobicContact CE1-CE2 3.78Å; Y81-F162 AromaticContact CE1-CZ 3.62Å; Y81-F162 HydrophobicContact CE1-CZ 3.62Å; Y81-F162 AromaticContact CE2-CE2 3.54Å; Y81-F162 HydrophobicContact CE2-CE2 3.54Å; Y81-F162 HydrophobicContact CE2-CZ 4.23Å; Y81-F162 HydrophobicContact CG-CE2 4.41Å; Y81-F162 AromaticContact CZ-CE2 3.38Å; Y81-F162 AromaticContact CZ-CZ 3.58Å; W130-F162 AromaticContact CH2-CD1 3.64Å; W130-F162 HydrophobicContact CH2-CD1 3.64Å; W130-F162 AromaticContact CH2-CE1 3.76Å; W130-F162 HydrophobicContact CH2-CE1 3.76Å; W130-F162 HydrophobicContact CH2-CG 4.29Å; W130-F162 AromaticContact CZ2-CD1 3.57Å; W130-F162 HydrophobicContact CZ2-CD1 3.57Å; W130-F162 HydrophobicContact CZ2-CE1 4.06Å; W130-F162 HydrophobicContact CZ2-CG 4.32Å; F158-F162 HydrophobicContact CE1-CB 4.24Å; F158-F162 AromaticContact CE1-CD1 3.98Å; F158-F162 HydrophobicContact CE1-CD1 3.98Å; F158-F162 HydrophobicContact CE1-CG 4.3Å; F158-F162 HydrophobicContact CZ-CB 4.22Å; F158-F162 AromaticContact CZ-CD1 3.97Å; F158-F162 HydrophobicContact CZ-CD1 3.97Å; F158-F162 HydrophobicContact CZ-CG 4.05Å; F158-F162 WeakPolarHBondContact O-CB 3.48Å; F158-F162 PolarHBondContact O-N 3.23Å; V160-F162 PolarHBondContact O-N 3Å; F162-Y164 PolarHBondContact O-N 3.41Å; F162-L165 PolarHBondContact O-N 3.01Å; F162-T166 PolarHBondContact O-N 3.22Å; F162-T166 PolarHBondContact O-OG1 3.13Å
163F98.4Very high96.9Very high0 Ų025.8 Ų25.80%012%0.117CC..Hα-helixtrans-53.5-52171.2175.6-92.2000111.8W130 I134 Q159 V160 K161 L165 T166 Q167 L215 L218 Y222W130-F163 AromaticContact CD2-CD2 3.82Å; W130-F163 HydrophobicContact CD2-CD2 3.82Å; W130-F163 AromaticContact CE3-CD2 3.99Å; W130-F163 HydrophobicContact CE3-CD2 3.99Å; W130-F163 HydrophobicContact CG-CD2 4.08Å; W130-F163 HydrophobicContact CH2-CB 4.42Å; W130-F163 HydrophobicContact CZ2-CB 4.03Å; W130-F163 HydrophobicContact CZ3-CD2 4.48Å; I134-F163 HydrophobicContact CD1-CB 3.64Å; I134-F163 HydrophobicContact CD1-CD2 4.07Å; I134-F163 HydrophobicContact CD1-CG 3.94Å; Q159-F163 VanDerWaalsContact O-CB 3.24Å; Q159-F163 WeakPolarHBondContact O-CB 3.39Å; Q159-F163 PolarHBondContact O-N 3.29Å; V160-F163 PolarHBondContact O-N 2.82Å; K161-F163 VanDerWaalsContact C-N 3.33Å; K161-F163 PolarHBondContact O-N 3.02Å; F163-L165 PolarHBondContact O-N 3.44Å; F163-T166 PolarHBondContact O-N 3.26Å; F163-Q167 HydrophobicContact CD1-CG 3.87Å; F163-Q167 HydrophobicContact CE1-CG 3.5Å; F163-Q167 HydrophobicContact CE2-CG 4.22Å; F163-Q167 HydrophobicContact CG-CG 4.37Å; F163-Q167 HydrophobicContact CZ-CG 3.7Å; F163-Q167 VanDerWaalsContact O-CG 3.23Å; F163-Q167 WeakPolarHBondContact O-CG 3.44Å; F163-Q167 PolarHBondContact O-N 3.41Å; F163-Q167 PolarHBondContact O-NE2 3.03Å; F163-L215 HydrophobicContact CD1-CD1 3.48Å; F163-L215 VanDerWaalsContact CD1-CD1 3.48Å; F163-L215 HydrophobicContact CE1-CD1 3.41Å; F163-L215 VanDerWaalsContact CE1-CD1 3.41Å; F163-L215 HydrophobicContact CG-CD1 4.13Å; F163-L215 HydrophobicContact CZ-CD1 4.01Å; F163-L218 HydrophobicContact CE1-CD1 4.09Å; F163-Y222 HydrophobicContact CZ-CE2 4.16Å
164Y98.6Very high97.1Very high0 Ų026.1 Ų26.10%012%0.121CC..Hα-helixtrans-58.9-46.1179.7-91.5-79.3000112.9V160 K161 F162 T166 Q167 L168 V202 A205 Y206 S211 G214 L215 L218V160-Y164 HydrophobicContact CG1-CD2 4.29Å; V160-Y164 HydrophobicContact CG1-CE2 4.34Å; V160-Y164 WeakPolarHBondContact O-CD2 3.44Å; V160-Y164 PolarHBondContact O-N 3.22Å; K161-Y164 WeakPolarHBondContact O-CB 3.25Å; K161-Y164 PolarHBondContact O-N 3.45Å; K161-Y164 VanDerWaalsContact O-N 3.12Å; F162-Y164 PolarHBondContact O-N 3.41Å; Y164-T166 VanDerWaalsContact C-N 3.34Å; Y164-T166 PolarHBondContact O-N 3.36Å; Y164-Q167 PolarHBondContact O-N 3.2Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.36Å; Y164-V202 HydrophobicContact CD1-CG1 3.71Å; Y164-V202 HydrophobicContact CE1-CG1 4.18Å; Y164-A205 HydrophobicContact CE1-CB 3.93Å; Y164-A205 WeakPolarHBondContact OH-CB 3.47Å; Y164-Y206 HydrophobicContact CD1-CD2 4.13Å; Y164-Y206 HydrophobicContact CD1-CG 4.3Å; Y164-Y206 HydrophobicContact CD2-CD2 4.29Å; Y164-Y206 AromaticContact CG-CD2 3.79Å; Y164-Y206 HydrophobicContact CG-CD2 3.79Å; Y164-Y206 HydrophobicContact CG-CG 4.38Å; Y164-S211 PolarHBondContact OH-O 3.11Å; Y164-S211 VanDerWaalsContact OH-O 3.07Å; Y164-G214 VanDerWaalsContact OH-C 3.22Å; Y164-G214 WeakPolarHBondContact OH-CA 3.34Å; Y164-L215 PolarHBondContact OH-N 3.07Å; Y164-L215 VanDerWaalsContact OH-N 3.12Å; Y164-L218 HydrophobicContact CE1-CD1 4.05Å
165L98.6Very high97.3Very high0 Ų028 Ų280%013%0.13CC..Hα-helixtrans-62.7-41177.8-58.2-171.6000111.5P52 D74 T77 I78 K161 F162 F163 L168 A169 Y206P52-L165 HydrophobicContact CB-CD1 4.32Å; D74-L165 HydrophobicContact CB-CD1 4.16Å; D74-L165 HydrophobicContact CB-CD2 3.79Å; T77-L165 HydrophobicContact CG2-CD1 3.87Å; I78-L165 HydrophobicContact CD1-CD2 3.97Å; I78-L165 HydrophobicContact CG1-CB 4.14Å; I78-L165 HydrophobicContact CG1-CD2 3.98Å; K161-L165 HydrophobicContact CG-CD1 4.24Å; K161-L165 HydrophobicContact CG-CG 4.28Å; K161-L165 WeakPolarHBondContact O-CG 3.41Å; K161-L165 PolarHBondContact O-N 2.93Å; F162-L165 PolarHBondContact O-N 3.01Å; F163-L165 PolarHBondContact O-N 3.44Å; L165-L168 PolarHBondContact O-N 2.92Å; L165-A169 WeakPolarHBondContact O-CB 3.35Å; L165-A169 PolarHBondContact O-N 3.01Å; L165-Y206 HydrophobicContact CD2-CE1 4.02Å
166T98.5Very high97.5Very high23 Ų2324.9 Ų24.914%0.14112%0.118CC..Hα-helixtrans-67.8-35.2175.4-51.50000112.6W130 F162 F163 Y164 A169 Y170W130-T166 HydrophobicContact CH2-CG2 4.47Å; W130-T166 HydrophobicContact CZ3-CG2 3.99Å; F162-T166 PolarHBondContact O-N 3.22Å; F162-T166 PolarHBondContact O-OG1 3.13Å; F163-T166 PolarHBondContact O-N 3.26Å; Y164-T166 VanDerWaalsContact C-N 3.34Å; Y164-T166 PolarHBondContact O-N 3.36Å; T166-A169 PolarHBondContact O-N 3.45Å; T166-Y170 PolarHBondContact O-N 2.79Å
167Q98.6Very high97.5Very high1 Ų125.1 Ų25.11%0.00512%0.119CC..Hα-helixtrans-62.9-45.9173.9-62.8-34.3-72.300111.1F123 F163 Y164 Y170 W171 V202 Y222F123-Q167 VanDerWaalsContact CZ-OE1 3.26Å; F163-Q167 HydrophobicContact CD1-CG 3.87Å; F163-Q167 HydrophobicContact CE1-CG 3.5Å; F163-Q167 HydrophobicContact CE2-CG 4.22Å; F163-Q167 HydrophobicContact CG-CG 4.37Å; F163-Q167 HydrophobicContact CZ-CG 3.7Å; F163-Q167 VanDerWaalsContact O-CG 3.23Å; F163-Q167 WeakPolarHBondContact O-CG 3.44Å; F163-Q167 PolarHBondContact O-N 3.41Å; F163-Q167 PolarHBondContact O-NE2 3.03Å; Y164-Q167 PolarHBondContact O-N 3.2Å; Q167-Y170 PolarHBondContact O-N 3.3Å; Q167-W171 PolarHBondContact O-N 3.38Å; Q167-V202 HydrophobicContact CB-CG1 3.86Å; Q167-V202 HydrophobicContact CB-CG2 4.29Å; Q167-Y222 PolarHBondContact OE1-OH 3.01Å
168L98.8Very high97.6Very high12 Ų1219.9 Ų19.96%0.06310%0.101CC..Hα-helixtrans-61.5-47.2176.1-68.3172.7000111.3I78 Y164 L165 Y170 W171 L172 L199 V202 S203I78-L168 HydrophobicContact CD1-CB 4.15Å; I78-L168 HydrophobicContact CD1-CD1 3.72Å; I78-L168 HydrophobicContact CG1-CB 4.31Å; I78-L168 HydrophobicContact CG2-CB 4.34Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.36Å; L165-L168 PolarHBondContact O-N 2.92Å; L168-Y170 VanDerWaalsContact C-N 3.32Å; L168-Y170 PolarHBondContact O-N 3.02Å; L168-W171 PolarHBondContact O-N 3.36Å; L168-L172 WeakPolarHBondContact O-CB 3.11Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 3.07Å; L168-L199 HydrophobicContact CD2-CD2 4.29Å; L168-V202 HydrophobicContact CD2-CB 3.87Å; L168-V202 HydrophobicContact CD2-CG1 3.54Å; L168-V202 HydrophobicContact CG-CG1 3.66Å; L168-S203 WeakPolarHBondContact CD2-OG 3.29Å
169A98.8Very high97.5Very high0 Ų020.6 Ų20.60%010%0.102CC..Hα-helixtrans-56.4-42.6176.100000112.8I78 F82 T85 L165 T166 H173I78-A169 HydrophobicContact CG2-CB 4.33Å; I78-A169 WeakPolarHBondContact O-CB 3.46Å; F82-A169 HydrophobicContact CB-CB 4.37Å; T85-A169 PolarHBondContact OG1-O 3.37Å; L165-A169 WeakPolarHBondContact O-CB 3.35Å; L165-A169 PolarHBondContact O-N 3.01Å; T166-A169 PolarHBondContact O-N 3.45Å; A169-H173 PolarHBondContact O-N 2.9Å
170Y98.7Very high97.4Very high22 Ų2220.2 Ų20.29%0.08610%0.099CC..Hα-helixtrans-65.6-49.5175.1-178.1-89.7000112.1T85 F123 T166 Q167 L168 L172 H173 A174T85-Y170 HydrophobicContact CG2-CD2 4.21Å; F123-Y170 HydrophobicContact CB-CD2 4.5Å; F123-Y170 HydrophobicContact CB-CE1 4.17Å; F123-Y170 HydrophobicContact CB-CE2 3.68Å; F123-Y170 VanDerWaalsContact CB-CZ 3.47Å; F123-Y170 WeakPolarHBondContact CB-OH 3.43Å; F123-Y170 AromaticContact CD1-CD1 3.83Å; F123-Y170 HydrophobicContact CD1-CD1 3.83Å; F123-Y170 AromaticContact CD1-CE1 3.36Å; F123-Y170 HydrophobicContact CD1-CE1 3.36Å; F123-Y170 HydrophobicContact CD1-CE2 4.3Å; F123-Y170 HydrophobicContact CD1-CG 4.46Å; F123-Y170 AromaticContact CD1-CZ 3.62Å; F123-Y170 AromaticContact CD2-CD1 3.69Å; F123-Y170 HydrophobicContact CD2-CD1 3.69Å; F123-Y170 AromaticContact CD2-CD2 3.31Å; F123-Y170 HydrophobicContact CD2-CD2 3.31Å; F123-Y170 AromaticContact CD2-CE1 3.75Å; F123-Y170 HydrophobicContact CD2-CE1 3.75Å; F123-Y170 AromaticContact CD2-CE2 3.37Å; F123-Y170 HydrophobicContact CD2-CE2 3.37Å; F123-Y170 AromaticContact CD2-CG 3.47Å; F123-Y170 HydrophobicContact CD2-CG 3.47Å; F123-Y170 VanDerWaalsContact CD2-CG 3.47Å; F123-Y170 AromaticContact CD2-CZ 3.59Å; F123-Y170 AromaticContact CE1-CD1 3.57Å; F123-Y170 HydrophobicContact CE1-CD1 3.57Å; F123-Y170 AromaticContact CE1-CE1 3.56Å; F123-Y170 HydrophobicContact CE1-CE1 3.56Å; F123-Y170 HydrophobicContact CE1-CG 4.28Å; F123-Y170 AromaticContact CE2-CD1 3.41Å; F123-Y170 HydrophobicContact CE2-CD1 3.41Å; F123-Y170 VanDerWaalsContact CE2-CD1 3.41Å; F123-Y170 AromaticContact CE2-CD2 3.58Å; F123-Y170 HydrophobicContact CE2-CD2 3.58Å; F123-Y170 AromaticContact CE2-CE1 3.92Å; F123-Y170 HydrophobicContact CE2-CE1 3.92Å; F123-Y170 HydrophobicContact CE2-CE2 4.06Å; F123-Y170 AromaticContact CE2-CG 3.21Å; F123-Y170 HydrophobicContact CE2-CG 3.21Å; F123-Y170 AromaticContact CG-CD1 3.87Å; F123-Y170 HydrophobicContact CG-CD1 3.87Å; F123-Y170 AromaticContact CG-CD2 3.92Å; F123-Y170 HydrophobicContact CG-CD2 3.92Å; F123-Y170 AromaticContact CG-CE1 3.45Å; F123-Y170 HydrophobicContact CG-CE1 3.45Å; F123-Y170 VanDerWaalsContact CG-CE1 3.45Å; F123-Y170 AromaticContact CG-CE2 3.49Å; F123-Y170 HydrophobicContact CG-CE2 3.49Å; F123-Y170 VanDerWaalsContact CG-CE2 3.49Å; F123-Y170 HydrophobicContact CG-CG 4.09Å; F123-Y170 AromaticContact CG-CZ 3.23Å; F123-Y170 AromaticContact CZ-CD1 3.34Å; F123-Y170 HydrophobicContact CZ-CD1 3.34Å; F123-Y170 HydrophobicContact CZ-CD2 4.38Å; F123-Y170 AromaticContact CZ-CE1 3.82Å; F123-Y170 HydrophobicContact CZ-CE1 3.82Å; F123-Y170 AromaticContact CZ-CG 3.66Å; F123-Y170 HydrophobicContact CZ-CG 3.66Å; T166-Y170 PolarHBondContact O-N 2.79Å; Q167-Y170 PolarHBondContact O-N 3.3Å; L168-Y170 VanDerWaalsContact C-N 3.32Å; L168-Y170 PolarHBondContact O-N 3.02Å; Y170-L172 PolarHBondContact O-N 3.1Å; Y170-H173 AromaticContact CD2-CE1 3.6Å; Y170-H173 AromaticContact CD2-ND1 3.51Å; Y170-H173 AromaticContact CE2-CE1 3.3Å; Y170-H173 WeakPolarHBondContact CE2-CE1 3.35Å; Y170-H173 AromaticContact CE2-ND1 3.73Å; Y170-H173 AromaticContact CG-ND1 3.81Å; Y170-H173 AromaticContact CZ-CE1 3.63Å; Y170-H173 PolarHBondContact O-N 3.2Å; Y170-H173 VanDerWaalsContact O-N 3.09Å; Y170-H173 PolarHBondContact O-ND1 3.1Å; Y170-A174 PolarHBondContact O-N 3.24Å
171W98.6Very high97.2Very high4 Ų424 Ų242%0.01512%0.117CC..Hα-helixtrans-68.9-24.4-178-70.1108.9000112.8L120 F123 H124 Q167 L168 Y194 I195 Y198 L199 Y222L120-W171 HydrophobicContact CD2-CH2 4.09Å; F123-W171 HydrophobicContact CD1-CZ2 4.33Å; F123-W171 AromaticContact CE1-CE2 3.9Å; F123-W171 AromaticContact CE1-CZ2 3.66Å; F123-W171 HydrophobicContact CE1-CZ2 3.66Å; F123-W171 AromaticContact CE1-NE1 3.89Å; F123-W171 HydrophobicContact CZ-CZ2 4.49Å; F123-W171 AromaticContact CZ-NE1 3.9Å; H124-W171 AromaticContact CE1-CZ2 3.99Å; Q167-W171 PolarHBondContact O-N 3.38Å; L168-W171 PolarHBondContact O-N 3.36Å; W171-Y194 HydrophobicContact CH2-CD1 4.33Å; W171-Y194 AromaticContact CH2-CE1 3.83Å; W171-Y194 HydrophobicContact CH2-CE1 3.83Å; W171-Y194 HydrophobicContact CZ3-CD1 4.12Å; W171-Y194 HydrophobicContact CZ3-CE1 4.08Å; W171-I195 HydrophobicContact CE3-CG1 4.29Å; W171-I195 WeakPolarHBondContact O-CG2 3.49Å; W171-Y198 VanDerWaalsContact CD2-CB 3.46Å; W171-Y198 AromaticContact CD2-CD2 3.87Å; W171-Y198 HydrophobicContact CD2-CD2 3.87Å; W171-Y198 AromaticContact CD2-CG 3.72Å; W171-Y198 HydrophobicContact CD2-CG 3.72Å; W171-Y198 AromaticContact CE2-CD1 3.75Å; W171-Y198 AromaticContact CE2-CD2 3.54Å; W171-Y198 AromaticContact CE2-CG 3.33Å; W171-Y198 AromaticContact CE3-CD2 3.89Å; W171-Y198 HydrophobicContact CE3-CD2 3.89Å; W171-Y198 HydrophobicContact CE3-CG 4.21Å; W171-Y198 HydrophobicContact CG-CG 4.25Å; W171-Y198 AromaticContact CH2-CD2 3.35Å; W171-Y198 HydrophobicContact CH2-CD2 3.35Å; W171-Y198 AromaticContact CH2-CE2 3.37Å; W171-Y198 HydrophobicContact CH2-CE2 3.37Å; W171-Y198 HydrophobicContact CH2-CG 4.06Å; W171-Y198 AromaticContact CZ2-CD1 3.86Å; W171-Y198 HydrophobicContact CZ2-CD1 3.86Å; W171-Y198 AromaticContact CZ2-CD2 3.29Å; W171-Y198 HydrophobicContact CZ2-CD2 3.29Å; W171-Y198 AromaticContact CZ2-CE1 3.96Å; W171-Y198 HydrophobicContact CZ2-CE1 3.96Å; W171-Y198 AromaticContact CZ2-CE2 3.37Å; W171-Y198 HydrophobicContact CZ2-CE2 3.37Å; W171-Y198 AromaticContact CZ2-CG 3.53Å; W171-Y198 HydrophobicContact CZ2-CG 3.53Å; W171-Y198 AromaticContact CZ2-CZ 3.7Å; W171-Y198 AromaticContact CZ3-CD2 3.65Å; W171-Y198 HydrophobicContact CZ3-CD2 3.65Å; W171-Y198 HydrophobicContact CZ3-CE2 4.07Å; W171-Y198 HydrophobicContact CZ3-CG 4.36Å; W171-Y198 AromaticContact NE1-CD1 3.68Å; W171-Y198 AromaticContact NE1-CG 3.61Å; W171-L199 HydrophobicContact CB-CD2 3.55Å; W171-L199 HydrophobicContact CB-CG 3.84Å; W171-Y222 HydrophobicContact CZ2-CE1 4.25Å; W171-Y222 PolarHBondContact NE1-OH 2.67Å
172L98.7Very high96.9Very high38 Ų3828.8 Ų28.820%0.19914%0.138CC..Hα-helixtrans-70.5-41.1167.9-70.3168.5000112.4W75 I78 F82 L168 Y170 A174 L175 P176 L199W75-L172 HydrophobicContact CZ3-CD1 3.9Å; I78-L172 HydrophobicContact CG2-CD1 3.49Å; I78-L172 VanDerWaalsContact CG2-CD1 3.49Å; F82-L172 HydrophobicContact CD2-CB 3.78Å; F82-L172 HydrophobicContact CE2-CB 4.25Å; L168-L172 WeakPolarHBondContact O-CB 3.11Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 3.07Å; Y170-L172 PolarHBondContact O-N 3.1Å; L172-A174 PolarHBondContact O-N 3.01Å; L172-L175 HydrophobicContact CD2-CD1 4.28Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 3.03Å; L172-P176 WeakPolarHBondContact O-CD 3.41Å; L172-L199 HydrophobicContact CD2-CD1 4Å; L172-L199 HydrophobicContact CD2-CD2 4.02Å; L172-L199 HydrophobicContact CG-CD2 3.84Å
173H98Very high96.5Very high2 Ų228 Ų281%0.00914%0.136CC..Hα-helixtrans-59.4-30.3178.9111.6-82.6000112.4F82 T85 I86 H89 A169 Y170 L175 P176 E177F82-H173 HydrophobicContact CD2-CB 4.07Å; F82-H173 HydrophobicContact CE2-CB 4.42Å; T85-H173 WeakPolarHBondContact OG1-CB 3.32Å; I86-H173 HydrophobicContact CG1-CB 4.17Å; H89-H173 AromaticContact CE1-NE2 3.9Å; H89-H173 AromaticContact CG-NE2 3.65Å; H89-H173 AromaticContact ND1-CD2 3.93Å; H89-H173 AromaticContact ND1-CE1 3.77Å; H89-H173 AromaticContact ND1-NE2 2.87Å; H89-H173 PolarHBondContact ND1-NE2 2.9Å; A169-H173 PolarHBondContact O-N 2.9Å; Y170-H173 AromaticContact CD2-CE1 3.6Å; Y170-H173 AromaticContact CD2-ND1 3.51Å; Y170-H173 AromaticContact CE2-CE1 3.3Å; Y170-H173 WeakPolarHBondContact CE2-CE1 3.35Å; Y170-H173 AromaticContact CE2-ND1 3.73Å; Y170-H173 AromaticContact CG-ND1 3.81Å; Y170-H173 AromaticContact CZ-CE1 3.63Å; Y170-H173 PolarHBondContact O-N 3.2Å; Y170-H173 VanDerWaalsContact O-N 3.09Å; Y170-H173 PolarHBondContact O-ND1 3.1Å; H173-L175 PolarHBondContact O-N 2.92Å; H173-L175 VanDerWaalsContact O-N 3.16Å; H173-P176 WeakPolarHBondContact O-CD 3.47Å; H173-P176 VanDerWaalsContact O-CG 3.3Å; H173-P176 WeakPolarHBondContact O-CG 3.29Å; H173-E177 WeakPolarHBondContact O-CB 3.14Å; H173-E177 PolarHBondContact O-N 3.37Å
174A97.5Very high96.2Very high15 Ų1533.2 Ų33.212%0.12416%0.156CC..Hα-helixtrans-63.5-20.1178.800000113.1Y170 L172 L178 I195Y170-A174 PolarHBondContact O-N 3.24Å; L172-A174 PolarHBondContact O-N 3.01Å; A174-L178 WeakPolarHBondContact O-CG 3.49Å; A174-L178 PolarHBondContact O-N 2.92Å; A174-I195 HydrophobicContact CB-CD1 3.62Å; A174-I195 HydrophobicContact CB-CG1 3.81Å
175L97.6Very high95.9Very high63 Ų6342 Ų4233%0.3319%0.194SC..Hα-helixtrans-70.9-57.8179-63172000113.5L172 H173 E177 L178 L192 I195L172-L175 HydrophobicContact CD2-CD1 4.28Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 3.03Å; H173-L175 PolarHBondContact O-N 2.92Å; H173-L175 VanDerWaalsContact O-N 3.16Å; L175-E177 PolarHBondContact O-N 3Å; L175-L178 WeakPolarHBondContact O-CB 3.14Å; L175-L178 PolarHBondContact O-N 3.15Å; L175-L192 HydrophobicContact CD2-CD1 3.52Å; L175-I195 HydrophobicContact CD2-CB 4.47Å; L175-I195 HydrophobicContact CD2-CD1 4.17Å; L175-I195 HydrophobicContact CD2-CG2 3.77Å; L175-I195 HydrophobicContact CG-CG2 4.08Å
176P96.6Very high95.7Very high34 Ų3448.1 Ų48.122%0.22122%0.223CC..Hα-helixtrans-64.9-26.8173.228.6-37.7000112.3F82 I86 L172 H173 L178 Y179 F180F82-P176 HydrophobicContact CE2-CG 3.96Å; F82-P176 HydrophobicContact CZ-CG 3.87Å; I86-P176 HydrophobicContact CD1-CG 4.41Å; L172-P176 WeakPolarHBondContact O-CD 3.41Å; H173-P176 WeakPolarHBondContact O-CD 3.47Å; H173-P176 VanDerWaalsContact O-CG 3.3Å; H173-P176 WeakPolarHBondContact O-CG 3.29Å; P176-L178 PolarHBondContact O-N 3.36Å; P176-Y179 WeakPolarHBondContact O-CA 3.25Å; P176-Y179 VanDerWaalsContact O-CB 3.31Å; P176-Y179 WeakPolarHBondContact O-CB 3.45Å; P176-Y179 PolarHBondContact O-N 3.43Å; P176-F180 HydrophobicContact CB-CD2 4.45Å; P176-F180 HydrophobicContact CB-CE2 3.86Å; P176-F180 HydrophobicContact CB-CZ 4.02Å; P176-F180 HydrophobicContact CG-CE2 4.43Å; P176-F180 PolarHBondContact O-N 2.99Å
177E95.4Very high95.3Very high14 Ų1448.8 Ų48.87%0.06522%0.224CC..Hα-helixtrans-62.1-31.5176.7-166.659.6-154.500112.4H89 H173 L175 Y179 F180 Q181H89-E177 IonicContact CD2-OE1 2.67Å; H89-E177 PolarHBondContact CD2-OE1 2.91Å; H89-E177 IonicContact CE1-OE1 2.91Å; H89-E177 IonicContact NE2-OE1 2.68Å; H89-E177 PolarHBondContact NE2-OE1 2.58Å; H173-E177 WeakPolarHBondContact O-CB 3.14Å; H173-E177 PolarHBondContact O-N 3.37Å; L175-E177 PolarHBondContact O-N 3Å; E177-Y179 PolarHBondContact O-N 3.22Å; E177-F180 PolarHBondContact O-N 3.26Å; E177-Q181 HydrophobicContact CG-CG 3.97Å; E177-Q181 WeakPolarHBondContact O-CB 3.36Å; E177-Q181 WeakPolarHBondContact O-CG 3.38Å; E177-Q181 PolarHBondContact O-N 2.87Å; E177-Q181 WeakPolarHBondContact OE1-CG 3.37Å; E177-Q181 PolarHBondContact OE1-NE2 3.42Å
178L95.1Very high95.1Very high21 Ų2151.5 Ų51.511%0.1124%0.238CC..Hα-helixtrans-55.8-35171.2-56.2-172.6000112.2A174 L175 P176 V183 I188 Q191 I195A174-L178 WeakPolarHBondContact O-CG 3.49Å; A174-L178 PolarHBondContact O-N 2.92Å; L175-L178 WeakPolarHBondContact O-CB 3.14Å; L175-L178 PolarHBondContact O-N 3.15Å; P176-L178 PolarHBondContact O-N 3.36Å; L178-V183 HydrophobicContact CB-CG2 4.39Å; L178-V183 HydrophobicContact CD2-CG2 4.21Å; L178-V183 WeakPolarHBondContact O-CB 3.29Å; L178-V183 WeakPolarHBondContact O-CG2 3.15Å; L178-V183 PolarHBondContact O-N 3.1Å; L178-I188 HydrophobicContact CD1-CG2 4.26Å; L178-Q191 HydrophobicContact CD2-CB 3.86Å; L178-I195 HydrophobicContact CD1-CD1 4.32Å; L178-I195 HydrophobicContact CD2-CD1 4.27Å; L178-I195 HydrophobicContact CG-CD1 4.44Å
179Y94.3Very high95Very high110 Ų11055 Ų5543%0.43126%0.262SS..Hα-helixtrans-81.7-45.9178.5175.8-95.5000111.7Q15 I19 P176 E177 Q181 K182Q15-Y179 VanDerWaalsContact CG-OH 3.28Å; Q15-Y179 WeakPolarHBondContact CG-OH 3.19Å; Q15-Y179 PolarHBondContact NE2-OH 3.22Å; Q15-Y179 VanDerWaalsContact NE2-OH 3.13Å; I19-Y179 HydrophobicContact CD1-CD1 4.36Å; I19-Y179 HydrophobicContact CD1-CE1 3.87Å; I19-Y179 HydrophobicContact CG1-CD1 4.26Å; I19-Y179 HydrophobicContact CG1-CE1 3.81Å; P176-Y179 WeakPolarHBondContact O-CA 3.25Å; P176-Y179 VanDerWaalsContact O-CB 3.31Å; P176-Y179 WeakPolarHBondContact O-CB 3.45Å; P176-Y179 PolarHBondContact O-N 3.43Å; E177-Y179 PolarHBondContact O-N 3.22Å; Y179-Q181 PolarHBondContact O-N 3.03Å; Y179-K182 PolarHBondContact O-N 2.86Å
180F93.3Very high94.8Very high30 Ų3060.2 Ų60.213%0.13228%0.281CS..Hα-helixtrans-61.2-41.6178.6-58.7-31.9000112.2L18 I19 H22 I86 P176 E177 K182L18-F180 HydrophobicContact CD2-CD1 4.47Å; L18-F180 HydrophobicContact CD2-CE1 3.74Å; I19-F180 HydrophobicContact CG1-CD1 4.35Å; I19-F180 VanDerWaalsContact CG2-O 3.27Å; I19-F180 WeakPolarHBondContact CG2-O 3.28Å; H22-F180 HydrophobicContact CB-CD1 4.27Å; H22-F180 HydrophobicContact CB-CD2 4.33Å; H22-F180 HydrophobicContact CB-CE1 4.05Å; H22-F180 HydrophobicContact CB-CE2 4.09Å; H22-F180 HydrophobicContact CB-CG 4.43Å; H22-F180 HydrophobicContact CB-CZ 3.95Å; H22-F180 AromaticContact CD2-CD2 3.72Å; H22-F180 AromaticContact CD2-CE2 3.92Å; H22-F180 AromaticContact CG-CD2 3.91Å; I86-F180 HydrophobicContact CG2-CE2 4.48Å; P176-F180 HydrophobicContact CB-CD2 4.45Å; P176-F180 HydrophobicContact CB-CE2 3.86Å; P176-F180 HydrophobicContact CB-CZ 4.02Å; P176-F180 HydrophobicContact CG-CE2 4.43Å; P176-F180 PolarHBondContact O-N 2.99Å; E177-F180 PolarHBondContact O-N 3.26Å; F180-K182 PolarHBondContact O-N 2.94Å
181Q90.9Very high94.6Very high80 Ų8060.6 Ų60.637%0.37428%0.284SS..THydrogen-bonded Turntrans-75.5-6.4175.6-60.8-170.5-0.200114.2H89 E177 Y179 V183H89-Q181 PolarHBondContact CE1-NE2 3.02Å; H89-Q181 PolarHBondContact NE2-NE2 3.38Å; E177-Q181 HydrophobicContact CG-CG 3.97Å; E177-Q181 WeakPolarHBondContact O-CB 3.36Å; E177-Q181 WeakPolarHBondContact O-CG 3.38Å; E177-Q181 PolarHBondContact O-N 2.87Å; E177-Q181 WeakPolarHBondContact OE1-CG 3.37Å; E177-Q181 PolarHBondContact OE1-NE2 3.42Å; Y179-Q181 PolarHBondContact O-N 3.03Å; Q181-V183 VanDerWaalsContact C-N 3.32Å; Q181-V183 HydrophobicContact CB-CG2 4.1Å; Q181-V183 PolarHBondContact O-N 2.76Å
182K91.3Very high94.5Very high101 Ų10163.8 Ų63.844%0.43930%0.301SS..THydrogen-bonded Turntrans51.849.8-173-53-175.9-172.5-178.40111.5E16 I19 Y179 F180 R184E16-K182 IonicContact OE1-NZ 2.88Å; E16-K182 PolarHBondContact OE1-NZ 2.67Å; E16-K182 IonicContact OE2-NZ 2.89Å; E16-K182 PolarHBondContact OE2-NZ 2.64Å; I19-K182 HydrophobicContact CD1-CG 4.41Å; Y179-K182 PolarHBondContact O-N 2.86Å; F180-K182 PolarHBondContact O-N 2.94Å; K182-R184 PolarHBondContact O-N 2.99Å
183V90.9Very high94.4Very high19 Ų1966.5 Ų66.512%0.11531%0.312CS..  trans-55.1136.6178.5174.70000109.8L178 Q181 E187 I188 Q191L178-V183 HydrophobicContact CB-CG2 4.39Å; L178-V183 HydrophobicContact CD2-CG2 4.21Å; L178-V183 WeakPolarHBondContact O-CB 3.29Å; L178-V183 WeakPolarHBondContact O-CG2 3.15Å; L178-V183 PolarHBondContact O-N 3.1Å; Q181-V183 VanDerWaalsContact C-N 3.32Å; Q181-V183 HydrophobicContact CB-CG2 4.1Å; Q181-V183 PolarHBondContact O-N 2.76Å; V183-E187 HydrophobicContact CG1-CB 3.95Å; V183-I188 HydrophobicContact CB-CG1 4.3Å; V183-I188 HydrophobicContact CG1-CG1 3.93Å; V183-Q191 VanDerWaalsContact CG1-NE2 3.35Å
184R91.4Very high94.2Very high109 Ų10967.5 Ų67.541%0.41132%0.316SS..  trans-67.4140-177-53.9-168-57.6-76-3.7110.2K182 E186 E187 I188K182-R184 PolarHBondContact O-N 2.99Å; R184-E186 VanDerWaalsContact CB-CD 3.46Å; R184-E186 WeakPolarHBondContact CB-OE1 3.22Å; R184-E186 VanDerWaalsContact CB-OE2 3.26Å; R184-E186 WeakPolarHBondContact CB-OE2 3.38Å; R184-E186 WeakPolarHBondContact CD-OE1 3.35Å; R184-E186 IonicContact CZ-OE1 2.64Å; R184-E186 IonicContact NE-OE1 2.89Å; R184-E186 PolarHBondContact NE-OE1 3.12Å; R184-E186 IonicContact NH2-OE1 3.85Å; R184-E186 PolarHBondContact O-N 3.31Å; R184-E186 VanDerWaalsContact O-N 3.09Å; R184-E187 IonicContact CZ-OE1 3.54Å; R184-E187 IonicContact NH1-OE1 3.05Å; R184-E187 VanDerWaalsContact NH2-CD 3.35Å; R184-E187 IonicContact NH2-OE1 3.25Å; R184-E187 PolarHBondContact NH2-OE1 2.68Å; R184-E187 PolarHBondContact O-N 3.05Å; R184-I188 PolarHBondContact O-N 2.79Å
185K92.5Very high94.2Very high184 Ų18467.1 Ų67.180%0.831%0.312SS*.THydrogen-bonded Turntrans-55.6-34.3-170-68.7-174.5176.9-175.80113.1E187 I188 P189K185-E187 VanDerWaalsContact C-N 3.28Å; K185-E187 PolarHBondContact O-N 2.91Å; K185-I188 PolarHBondContact O-N 2.99Å; K185-P189 WeakPolarHBondContact O-CD 3.26Å
186E94.1Very high94.2Very high129 Ų12967 Ų6760%0.60332%0.316SS*.THydrogen-bonded Turntrans-70.5-18.1177.373.1-77.2-17800114.4R184R184-E186 VanDerWaalsContact CB-CD 3.46Å; R184-E186 WeakPolarHBondContact CB-OE1 3.22Å; R184-E186 VanDerWaalsContact CB-OE2 3.26Å; R184-E186 WeakPolarHBondContact CB-OE2 3.38Å; R184-E186 WeakPolarHBondContact CD-OE1 3.35Å; R184-E186 IonicContact CZ-OE1 2.64Å; R184-E186 IonicContact NE-OE1 2.89Å; R184-E186 PolarHBondContact NE-OE1 3.12Å; R184-E186 IonicContact NH2-OE1 3.85Å; R184-E186 PolarHBondContact O-N 3.31Å; R184-E186 VanDerWaalsContact O-N 3.09Å
187E91.2Very high94.3Very high36 Ų3667 Ų6717%0.16831%0.314CS..THydrogen-bonded Turntrans-94.6-22.8176.5-61.8-165167.200113.2V183 R184 K185 R190 Q191V183-E187 HydrophobicContact CG1-CB 3.95Å; R184-E187 IonicContact CZ-OE1 3.54Å; R184-E187 IonicContact NH1-OE1 3.05Å; R184-E187 VanDerWaalsContact NH2-CD 3.35Å; R184-E187 IonicContact NH2-OE1 3.25Å; R184-E187 PolarHBondContact NH2-OE1 2.68Å; R184-E187 PolarHBondContact O-N 3.05Å; K185-E187 VanDerWaalsContact C-N 3.28Å; K185-E187 PolarHBondContact O-N 2.91Å; E187-R190 WeakPolarHBondContact O-CB 3.4Å; E187-R190 PolarHBondContact O-N 2.91Å; E187-R190 IonicContact OE2-NH2 3.37Å; E187-Q191 PolarHBondContact O-N 2.9Å; E187-Q191 VanDerWaalsContact O-N 3.11Å
188I93.9Very high94.4Very high58 Ų5867 Ų6730%0.29731%0.313SS..Hα-helixtrans-53.6-48.5-177.9-66.2176.5000112.5L178 V183 R184 K185 R190 Q191 L192L178-I188 HydrophobicContact CD1-CG2 4.26Å; V183-I188 HydrophobicContact CB-CG1 4.3Å; V183-I188 HydrophobicContact CG1-CG1 3.93Å; R184-I188 PolarHBondContact O-N 2.79Å; K185-I188 PolarHBondContact O-N 2.99Å; I188-R190 VanDerWaalsContact C-N 3.29Å; I188-R190 PolarHBondContact O-N 3.13Å; I188-Q191 PolarHBondContact O-N 3.39Å; I188-Q191 VanDerWaalsContact O-N 3.15Å; I188-L192 WeakPolarHBondContact O-CB 3.48Å; I188-L192 PolarHBondContact O-N 3.35Å
189P96.3Very high94.6Very high87 Ų8767.3 Ų67.357%0.56532%0.315SS*.Hα-helixtrans-60.6-36.4-179-24.935000113.5K185 Q193K185-P189 WeakPolarHBondContact O-CD 3.26Å; P189-Q193 WeakPolarHBondContact O-CB 3.5Å; P189-Q193 PolarHBondContact O-N 3.25Å
190R93.8Very high94.8Very high109 Ų10966 Ų6641%0.41132%0.315SS..Hα-helixtrans-66.3-45176.2177.3-167.364.990-11.7111.2E116 E187 I188 Y194E116-R190 IonicContact OE1-CZ 2.64Å; E116-R190 IonicContact OE1-NH1 3.63Å; E116-R190 PolarHBondContact OE1-NH1 3.08Å; E116-R190 VanDerWaalsContact OE1-NH1 3.13Å; E116-R190 IonicContact OE1-NH2 3.61Å; E116-R190 PolarHBondContact OE1-NH2 3.46Å; E187-R190 WeakPolarHBondContact O-CB 3.4Å; E187-R190 PolarHBondContact O-N 2.91Å; E187-R190 IonicContact OE2-NH2 3.37Å; I188-R190 VanDerWaalsContact C-N 3.29Å; I188-R190 PolarHBondContact O-N 3.13Å; R190-Y194 PolarHBondContact O-N 2.86Å
191Q95Very high95Very high29 Ų2966.6 Ų66.614%0.13632%0.318CS..Hα-helixtrans-70.4-43.2-178.5-62.8-166.333.100110.7L178 V183 E187 I188 Q193 Y194 I195L178-Q191 HydrophobicContact CD2-CB 3.86Å; V183-Q191 VanDerWaalsContact CG1-NE2 3.35Å; E187-Q191 PolarHBondContact O-N 2.9Å; E187-Q191 VanDerWaalsContact O-N 3.11Å; I188-Q191 PolarHBondContact O-N 3.39Å; I188-Q191 VanDerWaalsContact O-N 3.15Å; Q191-Q193 PolarHBondContact O-N 2.89Å; Q191-Y194 WeakPolarHBondContact O-CB 3.47Å; Q191-Y194 PolarHBondContact O-N 2.96Å; Q191-Y194 VanDerWaalsContact O-N 3.15Å; Q191-I195 VanDerWaalsContact O-CG1 3.31Å; Q191-I195 WeakPolarHBondContact O-CG1 3.46Å; Q191-I195 PolarHBondContact O-N 3.34Å
192L96.7Very high95.4Very high72 Ų7262.8 Ų62.838%0.37730%0.3SS..Hα-helixtrans-60.4-44.2175.2-174.962.2000112.1L175 I188 Y194 I195 C196L175-L192 HydrophobicContact CD2-CD1 3.52Å; I188-L192 WeakPolarHBondContact O-CB 3.48Å; I188-L192 PolarHBondContact O-N 3.35Å; L192-Y194 VanDerWaalsContact C-N 3.28Å; L192-Y194 PolarHBondContact O-N 3.49Å; L192-I195 PolarHBondContact O-N 3.31Å; L192-C196 WeakPolarHBondContact O-CB 3.28Å; L192-C196 PolarHBondContact O-N 2.92Å; L192-C196 PolarHBondContact O-SG 2.81Å
193Q95.8Very high95.7Very high94 Ų9459.7 Ų59.744%0.43929%0.291SS..Hα-helixtrans-57.3-42.5174.5-176.8176.53200111.8P189 Q191 L197 W305P189-Q193 WeakPolarHBondContact O-CB 3.5Å; P189-Q193 PolarHBondContact O-N 3.25Å; Q191-Q193 PolarHBondContact O-N 2.89Å; Q193-L197 HydrophobicContact CG-CD1 4.25Å; Q193-L197 WeakPolarHBondContact O-CB 3.44Å; Q193-L197 VanDerWaalsContact O-CG 3.26Å; Q193-L197 WeakPolarHBondContact O-CG 3.41Å; Q193-L197 PolarHBondContact O-N 3.34Å; Q193-W305 HydrophobicContact CG-CZ2 4.32Å
194Y94.4Very high96.1Very high24 Ų2459.7 Ų59.79%0.09429%0.294CS..Hα-helixtrans-67-43.8179.2-170.8-115.5000111.9W171 R190 Q191 L192 L197 Y198 W305W171-Y194 HydrophobicContact CH2-CD1 4.33Å; W171-Y194 AromaticContact CH2-CE1 3.83Å; W171-Y194 HydrophobicContact CH2-CE1 3.83Å; W171-Y194 HydrophobicContact CZ3-CD1 4.12Å; W171-Y194 HydrophobicContact CZ3-CE1 4.08Å; R190-Y194 PolarHBondContact O-N 2.86Å; Q191-Y194 WeakPolarHBondContact O-CB 3.47Å; Q191-Y194 PolarHBondContact O-N 2.96Å; Q191-Y194 VanDerWaalsContact O-N 3.15Å; L192-Y194 VanDerWaalsContact C-N 3.28Å; L192-Y194 PolarHBondContact O-N 3.49Å; Y194-L197 PolarHBondContact O-N 2.82Å; Y194-Y198 HydrophobicContact CD1-CE2 4.31Å; Y194-Y198 HydrophobicContact CD2-CE2 4.27Å; Y194-Y198 HydrophobicContact CE1-CD2 4.42Å; Y194-Y198 AromaticContact CE1-CE2 3.8Å; Y194-Y198 HydrophobicContact CE1-CE2 3.8Å; Y194-Y198 AromaticContact CE2-CE2 3.75Å; Y194-Y198 HydrophobicContact CE2-CE2 3.75Å; Y194-Y198 AromaticContact CZ-CE2 3.5Å; Y194-Y198 VanDerWaalsContact CZ-CE2 3.5Å; Y194-Y198 WeakPolarHBondContact O-CD2 3.39Å; Y194-Y198 PolarHBondContact O-N 3.43Å; Y194-Y198 PolarHBondContact OH-OH 3.03Å; Y194-W305 HydrophobicContact CD2-CH2 4.34Å; Y194-W305 HydrophobicContact CD2-CZ3 4.47Å
195I97.7Very high96.4Very high6 Ų655 Ų553%0.03128%0.278CS..Hα-helixtrans-61.8-50.2175.7-67.1162.6000111W171 A174 L175 L178 Q191 L192 L197 Y198 L199W171-I195 HydrophobicContact CE3-CG1 4.29Å; W171-I195 WeakPolarHBondContact O-CG2 3.49Å; A174-I195 HydrophobicContact CB-CD1 3.62Å; A174-I195 HydrophobicContact CB-CG1 3.81Å; L175-I195 HydrophobicContact CD2-CB 4.47Å; L175-I195 HydrophobicContact CD2-CD1 4.17Å; L175-I195 HydrophobicContact CD2-CG2 3.77Å; L175-I195 HydrophobicContact CG-CG2 4.08Å; L178-I195 HydrophobicContact CD1-CD1 4.32Å; L178-I195 HydrophobicContact CD2-CD1 4.27Å; L178-I195 HydrophobicContact CG-CD1 4.44Å; Q191-I195 VanDerWaalsContact O-CG1 3.31Å; Q191-I195 WeakPolarHBondContact O-CG1 3.46Å; Q191-I195 PolarHBondContact O-N 3.34Å; L192-I195 PolarHBondContact O-N 3.31Å; I195-L197 VanDerWaalsContact C-N 3.29Å; I195-L197 PolarHBondContact O-N 3.32Å; I195-Y198 PolarHBondContact O-N 2.9Å; I195-Y198 VanDerWaalsContact O-N 3.16Å; I195-L199 HydrophobicContact CG2-CD1 3.85Å; I195-L199 HydrophobicContact CG2-CG 4.34Å; I195-L199 PolarHBondContact O-N 3.35Å
196C98.3Very high96.6Very high62 Ų6246.8 Ų46.842%0.41924%0.242SC..Hα-helixtrans-61.2-36.4179.5-69.30000112.4L192 L199 L200L192-C196 WeakPolarHBondContact O-CB 3.28Å; L192-C196 PolarHBondContact O-N 2.92Å; L192-C196 PolarHBondContact O-SG 2.81Å; C196-L199 PolarHBondContact O-N 3.4Å; C196-L200 WeakPolarHBondContact O-CB 3.34Å; C196-L200 PolarHBondContact O-N 2.87Å
197L97.8Very high96.7Very high32 Ų3244.7 Ų44.717%0.16824%0.235CC..Hα-helixtrans-62.1-43.9175-77.9169.2000111.7Q193 Y194 I195 H201 T302 W305Q193-L197 HydrophobicContact CG-CD1 4.25Å; Q193-L197 WeakPolarHBondContact O-CB 3.44Å; Q193-L197 VanDerWaalsContact O-CG 3.26Å; Q193-L197 WeakPolarHBondContact O-CG 3.41Å; Q193-L197 PolarHBondContact O-N 3.34Å; Y194-L197 PolarHBondContact O-N 2.82Å; I195-L197 VanDerWaalsContact C-N 3.29Å; I195-L197 PolarHBondContact O-N 3.32Å; L197-H201 PolarHBondContact O-N 3.5Å; L197-H201 PolarHBondContact O-ND1 3.15Å; L197-T302 HydrophobicContact CD1-CG2 4.48Å; L197-T302 HydrophobicContact CD2-CG2 4.15Å; L197-W305 HydrophobicContact CD1-CD2 4.38Å; L197-W305 HydrophobicContact CD1-CE3 3.76Å; L197-W305 HydrophobicContact CD1-CH2 3.99Å; L197-W305 HydrophobicContact CD1-CZ3 3.54Å
198Y98.3Very high97Very high14 Ų1444.5 Ų44.56%0.05524%0.235CC..Hα-helixtrans-66.6-48175.4-82.8-73.7000112.6W171 Y194 I195 L200 H201 V202 Q221 Y222W171-Y198 VanDerWaalsContact CD2-CB 3.46Å; W171-Y198 AromaticContact CD2-CD2 3.87Å; W171-Y198 HydrophobicContact CD2-CD2 3.87Å; W171-Y198 AromaticContact CD2-CG 3.72Å; W171-Y198 HydrophobicContact CD2-CG 3.72Å; W171-Y198 AromaticContact CE2-CD1 3.75Å; W171-Y198 AromaticContact CE2-CD2 3.54Å; W171-Y198 AromaticContact CE2-CG 3.33Å; W171-Y198 AromaticContact CE3-CD2 3.89Å; W171-Y198 HydrophobicContact CE3-CD2 3.89Å; W171-Y198 HydrophobicContact CE3-CG 4.21Å; W171-Y198 HydrophobicContact CG-CG 4.25Å; W171-Y198 AromaticContact CH2-CD2 3.35Å; W171-Y198 HydrophobicContact CH2-CD2 3.35Å; W171-Y198 AromaticContact CH2-CE2 3.37Å; W171-Y198 HydrophobicContact CH2-CE2 3.37Å; W171-Y198 HydrophobicContact CH2-CG 4.06Å; W171-Y198 AromaticContact CZ2-CD1 3.86Å; W171-Y198 HydrophobicContact CZ2-CD1 3.86Å; W171-Y198 AromaticContact CZ2-CD2 3.29Å; W171-Y198 HydrophobicContact CZ2-CD2 3.29Å; W171-Y198 AromaticContact CZ2-CE1 3.96Å; W171-Y198 HydrophobicContact CZ2-CE1 3.96Å; W171-Y198 AromaticContact CZ2-CE2 3.37Å; W171-Y198 HydrophobicContact CZ2-CE2 3.37Å; W171-Y198 AromaticContact CZ2-CG 3.53Å; W171-Y198 HydrophobicContact CZ2-CG 3.53Å; W171-Y198 AromaticContact CZ2-CZ 3.7Å; W171-Y198 AromaticContact CZ3-CD2 3.65Å; W171-Y198 HydrophobicContact CZ3-CD2 3.65Å; W171-Y198 HydrophobicContact CZ3-CE2 4.07Å; W171-Y198 HydrophobicContact CZ3-CG 4.36Å; W171-Y198 AromaticContact NE1-CD1 3.68Å; W171-Y198 AromaticContact NE1-CG 3.61Å; Y194-Y198 HydrophobicContact CD1-CE2 4.31Å; Y194-Y198 HydrophobicContact CD2-CE2 4.27Å; Y194-Y198 HydrophobicContact CE1-CD2 4.42Å; Y194-Y198 AromaticContact CE1-CE2 3.8Å; Y194-Y198 HydrophobicContact CE1-CE2 3.8Å; Y194-Y198 AromaticContact CE2-CE2 3.75Å; Y194-Y198 HydrophobicContact CE2-CE2 3.75Å; Y194-Y198 AromaticContact CZ-CE2 3.5Å; Y194-Y198 VanDerWaalsContact CZ-CE2 3.5Å; Y194-Y198 WeakPolarHBondContact O-CD2 3.39Å; Y194-Y198 PolarHBondContact O-N 3.43Å; Y194-Y198 PolarHBondContact OH-OH 3.03Å; I195-Y198 PolarHBondContact O-N 2.9Å; I195-Y198 VanDerWaalsContact O-N 3.16Å; Y198-L200 PolarHBondContact O-N 3.04Å; Y198-H201 PolarHBondContact O-N 3.07Å; Y198-V202 WeakPolarHBondContact O-CB 3.5Å; Y198-V202 WeakPolarHBondContact O-CG2 3.02Å; Y198-V202 PolarHBondContact O-N 2.87Å; Y198-Q221 HydrophobicContact CE1-CG 3.87Å; Y198-Q221 WeakPolarHBondContact OH-CG 3.37Å; Y198-Q221 PolarHBondContact OH-NE2 2.85Å; Y198-Y222 HydrophobicContact CD1-CE1 4.06Å; Y198-Y222 HydrophobicContact CE1-CD1 4.11Å; Y198-Y222 AromaticContact CE1-CE1 3.43Å; Y198-Y222 HydrophobicContact CE1-CE1 3.43Å; Y198-Y222 VanDerWaalsContact CE1-CE1 3.43Å
199L98.7Very high97.1Very high28 Ų2841.9 Ų41.915%0.14722%0.221CC..Hα-helixtrans-54.6-42.9176.8-70.6173000111.4L168 W171 L172 I195 C196 S203L168-L199 HydrophobicContact CD2-CD2 4.29Å; W171-L199 HydrophobicContact CB-CD2 3.55Å; W171-L199 HydrophobicContact CB-CG 3.84Å; L172-L199 HydrophobicContact CD2-CD1 4Å; L172-L199 HydrophobicContact CD2-CD2 4.02Å; L172-L199 HydrophobicContact CG-CD2 3.84Å; I195-L199 HydrophobicContact CG2-CD1 3.85Å; I195-L199 HydrophobicContact CG2-CG 4.34Å; I195-L199 PolarHBondContact O-N 3.35Å; C196-L199 PolarHBondContact O-N 3.4Å; L199-S203 WeakPolarHBondContact O-CB 3.46Å; L199-S203 PolarHBondContact O-N 2.83Å; L199-S203 PolarHBondContact O-OG 3.17Å
200L98.5Very high97.1Very high84 Ų8438.4 Ų38.444%0.4420%0.198SC..Hα-helixtrans-65.4-47.6178.618059.4000112.4C196 Y198 A204 L298C196-L200 WeakPolarHBondContact O-CB 3.34Å; C196-L200 PolarHBondContact O-N 2.87Å; Y198-L200 PolarHBondContact O-N 3.04Å; L200-A204 WeakPolarHBondContact O-CB 3.26Å; L200-A204 PolarHBondContact O-N 3.17Å; L200-L298 HydrophobicContact CD1-CD2 4.48Å; L200-L298 HydrophobicContact CD2-CD1 3.6Å; L200-L298 HydrophobicContact CD2-CD2 4.07Å; L200-L298 HydrophobicContact CD2-CG 4.49Å; L200-L298 HydrophobicContact CG-CD1 4.35Å; L200-L298 HydrophobicContact CG-CD2 3.96Å
201H98.5Very high97.2Very high42 Ų4233.4 Ų33.419%0.19418%0.179CC..Hα-helixtrans-71.7-40.2-178.4-72.673.7000112.6L197 Y198 A205 T302L197-H201 PolarHBondContact O-N 3.5Å; L197-H201 PolarHBondContact O-ND1 3.15Å; Y198-H201 PolarHBondContact O-N 3.07Å; H201-A205 WeakPolarHBondContact O-CB 3.43Å; H201-A205 PolarHBondContact O-N 3.46Å; H201-T302 PolarHBondContact CE1-OG1 3.3Å; H201-T302 PolarHBondContact NE2-OG1 2.7Å
202V98.6Very high97.2Very high0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-64.8-46.5176.11790000109.9Y164 Q167 L168 Y198 A205 Y206 L218Y164-V202 HydrophobicContact CD1-CG1 3.71Å; Y164-V202 HydrophobicContact CE1-CG1 4.18Å; Q167-V202 HydrophobicContact CB-CG1 3.86Å; Q167-V202 HydrophobicContact CB-CG2 4.29Å; L168-V202 HydrophobicContact CD2-CB 3.87Å; L168-V202 HydrophobicContact CD2-CG1 3.54Å; L168-V202 HydrophobicContact CG-CG1 3.66Å; Y198-V202 WeakPolarHBondContact O-CB 3.5Å; Y198-V202 WeakPolarHBondContact O-CG2 3.02Å; Y198-V202 PolarHBondContact O-N 2.87Å; V202-A205 PolarHBondContact O-N 3.43Å; V202-Y206 WeakPolarHBondContact O-CB 3.44Å; V202-Y206 PolarHBondContact O-N 2.96Å; V202-L218 HydrophobicContact CG2-CD1 4.06Å; V202-L218 HydrophobicContact CG2-CD2 3.81Å
203S98.3Very high97.2Very high35 Ų3531.7 Ų31.725%0.24517%0.168CC..Hα-helixtrans-65.7-42.7177.3-55.50000112.3L168 L199 A205 Y206 L207L168-S203 WeakPolarHBondContact CD2-OG 3.29Å; L199-S203 WeakPolarHBondContact O-CB 3.46Å; L199-S203 PolarHBondContact O-N 2.83Å; L199-S203 PolarHBondContact O-OG 3.17Å; S203-A205 PolarHBondContact O-N 3.34Å; S203-Y206 PolarHBondContact O-N 3.01Å; S203-L207 WeakPolarHBondContact O-CB 3.23Å; S203-L207 VanDerWaalsContact O-CG 3.32Å; S203-L207 WeakPolarHBondContact O-CG 3.23Å; S203-L207 PolarHBondContact O-N 3.47Å
204A97.8Very high97.2Very high20 Ų2027.6 Ų27.617%0.16515%0.151CC..Hα-helixtrans-62.3-43.7178.500000111.6L200 Y206 L208L200-A204 WeakPolarHBondContact O-CB 3.26Å; L200-A204 PolarHBondContact O-N 3.17Å; A204-Y206 VanDerWaalsContact C-N 3.33Å; A204-Y206 PolarHBondContact O-N 2.9Å; A204-L208 HydrophobicContact CB-CD1 4.41Å; A204-L208 WeakPolarHBondContact O-CB 3.46Å; A204-L208 VanDerWaalsContact O-CG 3.27Å; A204-L208 WeakPolarHBondContact O-CG 3.43Å; A204-L208 PolarHBondContact O-N 3.19Å; A204-L208 VanDerWaalsContact O-N 3.12Å
205A97.6Very high97.4Very high11 Ų1126.4 Ų26.49%0.09115%0.146CC..Hα-helixtrans-65.4-36.7176.600000112.7Y164 H201 V202 S203 L210 S211Y164-A205 HydrophobicContact CE1-CB 3.93Å; Y164-A205 WeakPolarHBondContact OH-CB 3.47Å; H201-A205 WeakPolarHBondContact O-CB 3.43Å; H201-A205 PolarHBondContact O-N 3.46Å; V202-A205 PolarHBondContact O-N 3.43Å; S203-A205 PolarHBondContact O-N 3.34Å; A205-L210 CarbonylContact O-C 3.2Å; A205-L210 WeakPolarHBondContact O-CA 3.32Å; A205-L210 PolarHBondContact O-N 2.84Å; A205-S211 PolarHBondContact O-N 3.25Å
206Y97.6Very high97.3Very high10 Ų1026.7 Ų26.74%0.03915%0.148CC..Hα-helixtrans-72.4-52.9179.6-171.8-120.3000112.7Y70 D74 L156 K161 Y164 L165 V202 S203 A204 N209Y70-Y206 WeakPolarHBondContact CA-OH 3.47Å; Y70-Y206 WeakPolarHBondContact CB-OH 3.48Å; D74-Y206 PolarHBondContact OD2-OH 3.06Å; L156-Y206 HydrophobicContact CD1-CD2 4.3Å; L156-Y206 HydrophobicContact CD1-CE2 3.68Å; K161-Y206 VanDerWaalsContact CE-OH 3.24Å; K161-Y206 WeakPolarHBondContact CE-OH 3.28Å; K161-Y206 HydrophobicContact CG-CE2 4.38Å; Y164-Y206 HydrophobicContact CD1-CD2 4.13Å; Y164-Y206 HydrophobicContact CD1-CG 4.3Å; Y164-Y206 HydrophobicContact CD2-CD2 4.29Å; Y164-Y206 AromaticContact CG-CD2 3.79Å; Y164-Y206 HydrophobicContact CG-CD2 3.79Å; Y164-Y206 HydrophobicContact CG-CG 4.38Å; L165-Y206 HydrophobicContact CD2-CE1 4.02Å; V202-Y206 WeakPolarHBondContact O-CB 3.44Å; V202-Y206 PolarHBondContact O-N 2.96Å; S203-Y206 PolarHBondContact O-N 3.01Å; A204-Y206 VanDerWaalsContact C-N 3.33Å; A204-Y206 PolarHBondContact O-N 2.9Å; Y206-N209 PolarHBondContact O-N 3.05Å
207L96.6Very high97.3Very high85 Ų8525 Ų2545%0.44513%0.134SC..Hα-helixtrans-76.1-27.6-173.2-62.5173.5000113.5Y70 S203 N209 F286Y70-L207 HydrophobicContact CD2-CD2 4Å; Y70-L207 HydrophobicContact CE2-CD2 4.27Å; S203-L207 WeakPolarHBondContact O-CB 3.23Å; S203-L207 VanDerWaalsContact O-CG 3.32Å; S203-L207 WeakPolarHBondContact O-CG 3.23Å; S203-L207 PolarHBondContact O-N 3.47Å; L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 PolarHBondContact O-N 3.23Å; L207-F286 WeakPolarHBondContact O-CE2 3.43Å
208L96.6Very high97.3Very high33 Ų3324 Ų2417%0.17313%0.129CC..THydrogen-bonded Turntrans-88.410.8176.9-57.5173.8000113Y151 A204 L210 F286 I291 V295Y151-L208 WeakPolarHBondContact CE2-O 3.23Å; Y151-L208 PolarHBondContact OH-O 2.79Å; A204-L208 HydrophobicContact CB-CD1 4.41Å; A204-L208 WeakPolarHBondContact O-CB 3.46Å; A204-L208 VanDerWaalsContact O-CG 3.27Å; A204-L208 WeakPolarHBondContact O-CG 3.43Å; A204-L208 PolarHBondContact O-N 3.19Å; A204-L208 VanDerWaalsContact O-N 3.12Å; L208-L210 HydrophobicContact CB-CD1 4.03Å; L208-L210 HydrophobicContact CB-CG 4.12Å; L208-L210 HydrophobicContact CD1-CD1 4.32Å; L208-L210 PolarHBondContact O-N 3.32Å; L208-F286 HydrophobicContact CB-CD2 4.41Å; L208-F286 HydrophobicContact CD2-CB 4.03Å; L208-F286 HydrophobicContact CD2-CD1 4.19Å; L208-F286 HydrophobicContact CD2-CD2 4.26Å; L208-F286 HydrophobicContact CD2-CG 3.88Å; L208-I291 HydrophobicContact CD1-CG2 4.05Å; L208-I291 HydrophobicContact CD2-CG2 4.26Å; L208-V295 HydrophobicContact CD1-CG2 3.61Å
209N96.4Very high97.3Very high2 Ų223.5 Ų23.51%0.01113%0.128CC..THydrogen-bonded Turntrans54.729.4-174.9-65.5-46.8000114.3Y151 P152 Y206 L207 S211 G284Y151-N209 HydrophobicContact CE2-CB 4.22Å; Y151-N209 WeakPolarHBondContact CE2-O 3.14Å; P152-N209 HydrophobicContact CB-CB 4Å; Y206-N209 PolarHBondContact O-N 3.05Å; L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 PolarHBondContact O-N 3.23Å; N209-S211 VanDerWaalsContact C-N 3.26Å; N209-S211 PolarHBondContact O-N 3.41Å; N209-G284 PolarHBondContact ND2-O 2.87Å
210L96Very high97.2Very high15 Ų1523.9 Ų23.98%0.07913%0.13CC..  trans-94.232176.6-64.4171.9000111.4Y151 A205 L208 R212 V213 G214 V267 L271 V295Y151-L210 HydrophobicContact CD2-CD2 3.94Å; Y151-L210 HydrophobicContact CE2-CD2 3.53Å; Y151-L210 HydrophobicContact CE2-CG 4.11Å; A205-L210 CarbonylContact O-C 3.2Å; A205-L210 WeakPolarHBondContact O-CA 3.32Å; A205-L210 PolarHBondContact O-N 2.84Å; L208-L210 HydrophobicContact CB-CD1 4.03Å; L208-L210 HydrophobicContact CB-CG 4.12Å; L208-L210 HydrophobicContact CD1-CD1 4.32Å; L208-L210 PolarHBondContact O-N 3.32Å; L210-R212 PolarHBondContact O-N 3.47Å; L210-V213 PolarHBondContact O-N 2.9Å; L210-G214 PolarHBondContact O-N 2.88Å; L210-V267 HydrophobicContact CD2-CG2 4.44Å; L210-L271 HydrophobicContact CD2-CD1 3.59Å; L210-V295 HydrophobicContact CD1-CG1 4.32Å; L210-V295 HydrophobicContact CD1-CG2 4.42Å
211S95.4Very high97.2Very high3 Ų320.8 Ų20.82%0.02111%0.113CC..Hα-helixtrans-61.9-38.5-16858.60000113.3L156 Y164 A205 N209 L215L156-S211 VanDerWaalsContact CD2-OG 3.27Å; L156-S211 WeakPolarHBondContact CD2-OG 3.34Å; Y164-S211 PolarHBondContact OH-O 3.11Å; Y164-S211 VanDerWaalsContact OH-O 3.07Å; A205-S211 PolarHBondContact O-N 3.25Å; N209-S211 VanDerWaalsContact C-N 3.26Å; N209-S211 PolarHBondContact O-N 3.41Å; S211-L215 VanDerWaalsContact O-CB 3.23Å; S211-L215 WeakPolarHBondContact O-CB 3.32Å; S211-L215 PolarHBondContact O-N 3.48Å
212R95.7Very high97.2Very high57 Ų5718.8 Ų18.822%0.21510%0.104CC..Hα-helixtrans-66.1-51.9179.9-58.9-171.2-175.61593.6112.2Y140 S146 L147 E149 H153 L210 L215 V216Y140-R212 HydrophobicContact CD2-CB 4.21Å; Y140-R212 HydrophobicContact CD2-CG 4.37Å; Y140-R212 HydrophobicContact CE1-CG 4.01Å; Y140-R212 HydrophobicContact CE2-CB 4.05Å; Y140-R212 HydrophobicContact CE2-CG 3.78Å; S146-R212 WeakPolarHBondContact O-CD 3.21Å; S146-R212 PolarHBondContact O-NH1 3.34Å; L147-R212 HydrophobicContact CD2-CB 4.07Å; E149-R212 PolarHBondContact O-NH1 2.94Å; H153-R212 VanDerWaalsContact CD2-CZ 3.44Å; H153-R212 WeakPolarHBondContact ND1-CG 3.23Å; H153-R212 PolarHBondContact NE2-NH1 2.62Å; L210-R212 PolarHBondContact O-N 3.47Å; R212-L215 PolarHBondContact O-N 2.86Å; R212-V216 PolarHBondContact O-N 3.05Å
213V96.1Very high97.2Very high8 Ų822.2 Ų22.25%0.04812%0.122CC..Hα-helixtrans-58.7-51.5174.3178.70000109.9L147 L210 L215 V216 L217 M263 A266L147-V213 HydrophobicContact CB-CG2 3.97Å; L147-V213 VanDerWaalsContact O-CG2 3.29Å; L147-V213 WeakPolarHBondContact O-CG2 3.42Å; L210-V213 PolarHBondContact O-N 2.9Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.49Å; V213-V216 PolarHBondContact O-N 3.37Å; V213-V216 VanDerWaalsContact O-N 3.14Å; V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.04Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 3.45Å; V213-M263 HydrophobicContact CG1-SD 4.48Å; V213-A266 HydrophobicContact CG2-CB 3.6Å
214G96.8Very high97.1Very high8 Ų820.7 Ų20.78%0.08211%0.111CC..Hα-helixtrans-58.9-39.2-176.300000113.2Y164 L210 L217 L218Y164-G214 VanDerWaalsContact OH-C 3.22Å; Y164-G214 WeakPolarHBondContact OH-CA 3.34Å; L210-G214 PolarHBondContact O-N 2.88Å; G214-L217 PolarHBondContact O-N 3.12Å; G214-L218 WeakPolarHBondContact O-CB 3.41Å; G214-L218 VanDerWaalsContact O-CG 3.23Å; G214-L218 WeakPolarHBondContact O-CG 3.31Å; G214-L218 PolarHBondContact O-N 3.42Å
215L97.5Very high97.1Very high0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-63.7-43.1176.6-175.968.1000112.1I134 L135 Y140 F163 Y164 S211 R212 V213 L218 C219I134-L215 HydrophobicContact CB-CD2 3.96Å; I134-L215 HydrophobicContact CD1-CD1 4.46Å; I134-L215 HydrophobicContact CG2-CD2 3.42Å; I134-L215 VanDerWaalsContact CG2-CD2 3.42Å; L135-L215 HydrophobicContact CD2-CB 4.38Å; L135-L215 HydrophobicContact CD2-CD2 3.75Å; L135-L215 HydrophobicContact CD2-CG 3.84Å; L135-L215 HydrophobicContact CG-CD2 4.35Å; L135-L215 HydrophobicContact CG-CG 4.34Å; Y140-L215 HydrophobicContact CD2-CD2 4.21Å; Y140-L215 HydrophobicContact CE2-CD2 4Å; F163-L215 HydrophobicContact CD1-CD1 3.48Å; F163-L215 VanDerWaalsContact CD1-CD1 3.48Å; F163-L215 HydrophobicContact CE1-CD1 3.41Å; F163-L215 VanDerWaalsContact CE1-CD1 3.41Å; F163-L215 HydrophobicContact CG-CD1 4.13Å; F163-L215 HydrophobicContact CZ-CD1 4.01Å; Y164-L215 PolarHBondContact OH-N 3.07Å; Y164-L215 VanDerWaalsContact OH-N 3.12Å; S211-L215 VanDerWaalsContact O-CB 3.23Å; S211-L215 WeakPolarHBondContact O-CB 3.32Å; S211-L215 PolarHBondContact O-N 3.48Å; R212-L215 PolarHBondContact O-N 2.86Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.49Å; L215-L218 PolarHBondContact O-N 3.03Å; L215-C219 WeakPolarHBondContact O-CB 3.13Å; L215-C219 PolarHBondContact O-N 2.83Å
216V97.2Very high97.1Very high11 Ų1121 Ų217%0.06711%0.108CC..Hα-helixtrans-62.4-46.3174.1177.40000110.8L135 L147 R212 V213 L218 C219 L220 L262L135-V216 HydrophobicContact CD1-CG2 4.27Å; L135-V216 HydrophobicContact CD2-CB 4.42Å; L135-V216 HydrophobicContact CD2-CG2 3.47Å; L135-V216 VanDerWaalsContact CD2-CG2 3.47Å; L147-V216 HydrophobicContact CD1-CG2 4.44Å; L147-V216 HydrophobicContact CD2-CG2 3.74Å; R212-V216 PolarHBondContact O-N 3.05Å; V213-V216 PolarHBondContact O-N 3.37Å; V213-V216 VanDerWaalsContact O-N 3.14Å; V216-L218 PolarHBondContact O-N 3.45Å; V216-C219 PolarHBondContact O-N 2.83Å; V216-L220 HydrophobicContact CG1-CD1 4.01Å; V216-L220 HydrophobicContact CG1-CG 4.47Å; V216-L220 WeakPolarHBondContact O-CB 3.2Å; V216-L220 WeakPolarHBondContact O-CG 3.39Å; V216-L220 PolarHBondContact O-N 3.48Å; V216-L262 HydrophobicContact CG1-CD1 3.69Å
217L97.3Very high97.1Very high26 Ų2621.7 Ų21.714%0.13612%0.118CC..Hα-helixtrans-65.3-37.2179.9-61.4-167.1000112.3V213 G214 Q221 T259 L262 M263V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.04Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 3.45Å; G214-L217 PolarHBondContact O-N 3.12Å; L217-Q221 VanDerWaalsContact O-CB 3.25Å; L217-Q221 WeakPolarHBondContact O-CB 3.25Å; L217-Q221 PolarHBondContact O-N 3.03Å; L217-T259 HydrophobicContact CD2-CG2 4.08Å; L217-L262 HydrophobicContact CD2-CB 4.29Å; L217-M263 HydrophobicContact CD1-CB 4.46Å; L217-M263 HydrophobicContact CD1-SD 4.25Å
218L98.1Very high97.1Very high11 Ų1118.9 Ų18.96%0.05810%0.102CC..Hα-helixtrans-67.2-44.4174.7-74.6168.5000111.8F163 Y164 V202 G214 L215 V216 L220 Q221 Y222F163-L218 HydrophobicContact CE1-CD1 4.09Å; Y164-L218 HydrophobicContact CE1-CD1 4.05Å; V202-L218 HydrophobicContact CG2-CD1 4.06Å; V202-L218 HydrophobicContact CG2-CD2 3.81Å; G214-L218 WeakPolarHBondContact O-CB 3.41Å; G214-L218 VanDerWaalsContact O-CG 3.23Å; G214-L218 WeakPolarHBondContact O-CG 3.31Å; G214-L218 PolarHBondContact O-N 3.42Å; L215-L218 PolarHBondContact O-N 3.03Å; V216-L218 PolarHBondContact O-N 3.45Å; L218-L220 PolarHBondContact O-N 3.35Å; L218-Q221 PolarHBondContact O-N 3.05Å; L218-Y222 HydrophobicContact CB-CE2 4.35Å; L218-Y222 HydrophobicContact CD2-CE2 4.5Å; L218-Y222 WeakPolarHBondContact O-CB 3.4Å; L218-Y222 WeakPolarHBondContact O-CD2 3.39Å; L218-Y222 VanDerWaalsContact O-CG 3.26Å; L218-Y222 PolarHBondContact O-N 3.39Å
219C98.2Very high97.1Very high5 Ų517.7 Ų17.73%0.03410%0.095CC..Hα-helixtrans-56.6-50174.3-175.80000111.3S131 L135 L215 V216 Q221 Y222 L223S131-C219 WeakPolarHBondContact OG-CA 3.17Å; S131-C219 VanDerWaalsContact OG-CB 3.24Å; S131-C219 WeakPolarHBondContact OG-CB 3.29Å; S131-C219 PolarHBondContact OG-SG 3.36Å; S131-C219 VanDerWaalsContact OG-SG 3.32Å; L135-C219 HydrophobicContact CD1-CB 3.63Å; L215-C219 WeakPolarHBondContact O-CB 3.13Å; L215-C219 PolarHBondContact O-N 2.83Å; V216-C219 PolarHBondContact O-N 2.83Å; C219-Q221 PolarHBondContact O-N 3.12Å; C219-Y222 PolarHBondContact O-N 3.47Å; C219-L223 WeakPolarHBondContact O-CB 3.46Å; C219-L223 VanDerWaalsContact O-CG 3.32Å; C219-L223 WeakPolarHBondContact O-CG 3.33Å; C219-L223 PolarHBondContact O-N 3.26Å
220L97.6Very high97.2Very high35 Ų3520.2 Ų20.218%0.18311%0.108CC..Hα-helixtrans-59.8-45177.1-74.4173.9000112V216 L218 S224 T255 V258 L262V216-L220 HydrophobicContact CG1-CD1 4.01Å; V216-L220 HydrophobicContact CG1-CG 4.47Å; V216-L220 WeakPolarHBondContact O-CB 3.2Å; V216-L220 WeakPolarHBondContact O-CG 3.39Å; V216-L220 PolarHBondContact O-N 3.48Å; L218-L220 PolarHBondContact O-N 3.35Å; L220-S224 WeakPolarHBondContact O-CB 3.4Å; L220-S224 PolarHBondContact O-N 3.22Å; L220-T255 HydrophobicContact CB-CG2 3.79Å; L220-T255 WeakPolarHBondContact O-CG2 3.27Å; L220-V258 HydrophobicContact CD1-CB 4.48Å; L220-V258 HydrophobicContact CD1-CG1 3.73Å; L220-V258 HydrophobicContact CD2-CG1 4.49Å; L220-L262 HydrophobicContact CD1-CD1 3.95Å
221Q97.8Very high97.2Very high19 Ų1919.5 Ų19.59%0.08911%0.105CC..Hα-helixtrans-62.8-46.8177.817659.524.100112.1Y198 L217 L218 C219 S224 E225 R256Y198-Q221 HydrophobicContact CE1-CG 3.87Å; Y198-Q221 WeakPolarHBondContact OH-CG 3.37Å; Y198-Q221 PolarHBondContact OH-NE2 2.85Å; L217-Q221 VanDerWaalsContact O-CB 3.25Å; L217-Q221 WeakPolarHBondContact O-CB 3.25Å; L217-Q221 PolarHBondContact O-N 3.03Å; L218-Q221 PolarHBondContact O-N 3.05Å; C219-Q221 PolarHBondContact O-N 3.12Å; Q221-S224 PolarHBondContact O-N 3.03Å; Q221-E225 PolarHBondContact NE2-OE1 3.36Å; Q221-E225 PolarHBondContact O-N 3.47Å; Q221-R256 VanDerWaalsContact OE1-CZ 3.26Å
222Y98.4Very high97.1Very high0 Ų021.2 Ų21.20%011%0.111CC..Hα-helixtrans-68.7-38.4-178.7-66.1-24.9000112.9F123 H124 S128 F163 Q167 W171 Y198 L218 C219 S224 E225 M226F123-Y222 AromaticContact CE1-CE1 3.99Å; F123-Y222 HydrophobicContact CE1-CE1 3.99Å; F123-Y222 AromaticContact CE1-CZ 3.94Å; H124-Y222 AromaticContact CE1-CD1 3.49Å; H124-Y222 VanDerWaalsContact CE1-CD1 3.49Å; H124-Y222 WeakPolarHBondContact CE1-CD1 3.26Å; H124-Y222 AromaticContact CE1-CE1 3.8Å; H124-Y222 AromaticContact ND1-CD1 3.13Å; H124-Y222 WeakPolarHBondContact ND1-CD1 3.45Å; H124-Y222 AromaticContact ND1-CE1 3.71Å; H124-Y222 AromaticContact ND1-CG 3.7Å; S128-Y222 VanDerWaalsContact OG-C 3.24Å; S128-Y222 VanDerWaalsContact OG-CB 3.31Å; S128-Y222 WeakPolarHBondContact OG-CB 3.49Å; F163-Y222 HydrophobicContact CZ-CE2 4.16Å; Q167-Y222 PolarHBondContact OE1-OH 3.01Å; W171-Y222 HydrophobicContact CZ2-CE1 4.25Å; W171-Y222 PolarHBondContact NE1-OH 2.67Å; Y198-Y222 HydrophobicContact CD1-CE1 4.06Å; Y198-Y222 HydrophobicContact CE1-CD1 4.11Å; Y198-Y222 AromaticContact CE1-CE1 3.43Å; Y198-Y222 HydrophobicContact CE1-CE1 3.43Å; Y198-Y222 VanDerWaalsContact CE1-CE1 3.43Å; L218-Y222 HydrophobicContact CB-CE2 4.35Å; L218-Y222 HydrophobicContact CD2-CE2 4.5Å; L218-Y222 WeakPolarHBondContact O-CB 3.4Å; L218-Y222 WeakPolarHBondContact O-CD2 3.39Å; L218-Y222 VanDerWaalsContact O-CG 3.26Å; L218-Y222 PolarHBondContact O-N 3.39Å; C219-Y222 PolarHBondContact O-N 3.47Å; Y222-S224 VanDerWaalsContact C-N 3.27Å; Y222-S224 PolarHBondContact O-N 3.28Å; Y222-E225 PolarHBondContact O-N 3.03Å; Y222-M226 WeakPolarHBondContact O-CB 3.38Å; Y222-M226 PolarHBondContact O-N 3.11Å
223L97.8Very high97.1Very high73 Ų7320.3 Ų20.338%0.38211%0.11SC..Hα-helixtrans-59.8-39.6172.7-74.7168.8000111.7S128 C219 M226 G227S128-L223 PolarHBondContact OG-N 3.14Å; C219-L223 WeakPolarHBondContact O-CB 3.46Å; C219-L223 VanDerWaalsContact O-CG 3.32Å; C219-L223 WeakPolarHBondContact O-CG 3.33Å; C219-L223 PolarHBondContact O-N 3.26Å; L223-M226 HydrophobicContact CD2-CE 3.92Å; L223-G227 PolarHBondContact O-N 3.17Å; L223-G227 VanDerWaalsContact O-N 3.12Å
224S97.2Very high97Very high3 Ų324.7 Ų24.72%0.02113%0.128CC..Hα-helixtrans-69.7-44.6-180-155.30000113.1L220 Q221 Y222 G227 F228 W248 F252 T255L220-S224 WeakPolarHBondContact O-CB 3.4Å; L220-S224 PolarHBondContact O-N 3.22Å; Q221-S224 PolarHBondContact O-N 3.03Å; Y222-S224 VanDerWaalsContact C-N 3.27Å; Y222-S224 PolarHBondContact O-N 3.28Å; S224-G227 PolarHBondContact O-N 3Å; S224-F228 PolarHBondContact O-N 3.4Å; S224-W248 VanDerWaalsContact O-CD1 3.3Å; S224-W248 PolarHBondContact O-NE1 3.39Å; S224-F252 WeakPolarHBondContact OG-CA 3.49Å; S224-T255 PolarHBondContact OG-OG1 2.98Å
225E97.2Very high96.8Very high5 Ų526.6 Ų26.62%0.02313%0.133CC..Hα-helixtrans-72-35.3176.4-62.9-73.4175.400111.5Q221 Y222 G227 F228 H229Q221-E225 PolarHBondContact NE2-OE1 3.36Å; Q221-E225 PolarHBondContact O-N 3.47Å; Y222-E225 PolarHBondContact O-N 3.03Å; E225-G227 VanDerWaalsContact C-N 3.33Å; E225-G227 PolarHBondContact O-N 3.38Å; E225-F228 WeakPolarHBondContact O-CB 3.47Å; E225-F228 PolarHBondContact O-N 2.76Å; E225-F228 VanDerWaalsContact O-N 3.14Å; E225-H229 PolarHBondContact O-CD2 3.32Å; E225-H229 PolarHBondContact O-N 3.29Å
226M97.8Very high96.5Very high32 Ų3227.7 Ų27.716%0.15814%0.138CC..Hα-helixtrans-55.3-48.9170.8-178.4-174.367.500110.7H124 L125 Y222 L223 F228 H229 I230H124-M226 HydrophobicContact CB-CB 3.87Å; L125-M226 VanDerWaalsContact CA-SD 3.59Å; L125-M226 HydrophobicContact CB-SD 3.87Å; L125-M226 HydrophobicContact CD1-SD 3.64Å; L125-M226 HydrophobicContact CG-SD 4.37Å; Y222-M226 WeakPolarHBondContact O-CB 3.38Å; Y222-M226 PolarHBondContact O-N 3.11Å; L223-M226 HydrophobicContact CD2-CE 3.92Å; M226-F228 VanDerWaalsContact C-N 3.3Å; M226-F228 PolarHBondContact O-N 2.94Å; M226-H229 PolarHBondContact O-N 3.44Å; M226-I230 HydrophobicContact CG-CD1 3.74Å; M226-I230 HydrophobicContact CG-CG1 4.32Å; M226-I230 WeakPolarHBondContact O-CB 3.25Å; M226-I230 VanDerWaalsContact O-CG1 3.29Å; M226-I230 WeakPolarHBondContact O-CG1 3.21Å; M226-I230 PolarHBondContact O-N 3.18Å; M226-I230 HydrophobicContact SD-CD1 4.36Å
227G96.9Very high96.1Very high24 Ų2430.8 Ų30.825%0.24716%0.157CC..Hα-helixtrans-57.6-39.9175.800000113.2L223 S224 E225 A231L223-G227 PolarHBondContact O-N 3.17Å; L223-G227 VanDerWaalsContact O-N 3.12Å; S224-G227 PolarHBondContact O-N 3Å; E225-G227 VanDerWaalsContact C-N 3.33Å; E225-G227 PolarHBondContact O-N 3.38Å; G227-A231 WeakPolarHBondContact O-CB 3.42Å; G227-A231 PolarHBondContact O-N 3.49Å
228F96.9Very high95.6Very high26 Ų2633 Ų3311%0.11417%0.169CC..Hα-helixtrans-62.5-48.7174.7178.3-109.1000112S224 E225 M226 A231 R232 F245 W248 F313S224-F228 PolarHBondContact O-N 3.4Å; E225-F228 WeakPolarHBondContact O-CB 3.47Å; E225-F228 PolarHBondContact O-N 2.76Å; E225-F228 VanDerWaalsContact O-N 3.14Å; M226-F228 VanDerWaalsContact C-N 3.3Å; M226-F228 PolarHBondContact O-N 2.94Å; F228-A231 PolarHBondContact O-N 3.29Å; F228-R232 VanDerWaalsContact O-CB 3.29Å; F228-R232 WeakPolarHBondContact O-CB 3.48Å; F228-R232 PolarHBondContact O-N 3.05Å; F228-F245 HydrophobicContact CD2-CD1 4.49Å; F228-F245 HydrophobicContact CD2-CE1 4.16Å; F228-F245 HydrophobicContact CE2-CD1 4.49Å; F228-F245 AromaticContact CE2-CE1 3.94Å; F228-F245 HydrophobicContact CE2-CE1 3.94Å; F228-W248 HydrophobicContact CB-CD2 4.22Å; F228-W248 HydrophobicContact CB-CG 4.37Å; F228-W248 HydrophobicContact CB-CZ2 4.02Å; F228-W248 AromaticContact CD2-CD2 4Å; F228-W248 HydrophobicContact CD2-CD2 4Å; F228-W248 AromaticContact CD2-CE2 3.77Å; F228-W248 HydrophobicContact CD2-CE3 4.08Å; F228-W248 AromaticContact CD2-CH2 3.66Å; F228-W248 HydrophobicContact CD2-CH2 3.66Å; F228-W248 AromaticContact CD2-CZ2 3.6Å; F228-W248 HydrophobicContact CD2-CZ2 3.6Å; F228-W248 AromaticContact CD2-CZ3 3.92Å; F228-W248 HydrophobicContact CD2-CZ3 3.92Å; F228-W248 HydrophobicContact CE2-CH2 4.12Å; F228-W248 HydrophobicContact CE2-CZ2 4.45Å; F228-W248 HydrophobicContact CE2-CZ3 4.32Å; F228-W248 HydrophobicContact CG-CZ2 4.09Å; F228-F313 HydrophobicContact CE2-CE2 4.39Å; F228-F313 HydrophobicContact CE2-CZ 4.24Å
229H97.7Very high95Very high8 Ų837.1 Ų37.14%0.03719%0.188CC..Hα-helixtrans-69.2-39-175.8-74.6-65.2000112.1S117 L120 C121 H124 E225 M226 R232 M233S117-H229 WeakPolarHBondContact CA-ND1 3.47Å; S117-H229 PolarHBondContact OG-ND1 3.29Å; L120-H229 VanDerWaalsContact CD1-CE1 3.47Å; L120-H229 WeakPolarHBondContact CD1-CE1 3.24Å; C121-H229 HydrophobicContact CB-CB 3.9Å; H124-H229 AromaticContact CD2-CD2 3.91Å; E225-H229 PolarHBondContact O-CD2 3.32Å; E225-H229 PolarHBondContact O-N 3.29Å; M226-H229 PolarHBondContact O-N 3.44Å; H229-R232 PolarHBondContact O-N 2.92Å; H229-M233 VanDerWaalsContact O-CG 3.29Å; H229-M233 WeakPolarHBondContact O-CG 3.31Å; H229-M233 PolarHBondContact O-N 3.45Å
230I96.8Very high94.4Very high55 Ų5540.7 Ų40.728%0.28221%0.213SC..Hα-helixtrans-56.7-56.3169.7-69.2173.1000110C121 M226 R232 M233 F234 M244C121-I230 VanDerWaalsContact SG-CG1 3.52Å; M226-I230 HydrophobicContact CG-CD1 3.74Å; M226-I230 HydrophobicContact CG-CG1 4.32Å; M226-I230 WeakPolarHBondContact O-CB 3.25Å; M226-I230 VanDerWaalsContact O-CG1 3.29Å; M226-I230 WeakPolarHBondContact O-CG1 3.21Å; M226-I230 PolarHBondContact O-N 3.18Å; M226-I230 HydrophobicContact SD-CD1 4.36Å; I230-R232 VanDerWaalsContact C-N 3.26Å; I230-R232 PolarHBondContact O-N 3.02Å; I230-M233 PolarHBondContact O-N 2.92Å; I230-M233 VanDerWaalsContact O-N 3.1Å; I230-F234 HydrophobicContact CG2-CD2 3.81Å; I230-F234 HydrophobicContact CG2-CE2 3.91Å; I230-F234 WeakPolarHBondContact O-CD2 3.45Å; I230-F234 PolarHBondContact O-N 3.24Å; I230-M244 HydrophobicContact CG2-CE 3.73Å
231A96.1Very high94Very high1 Ų142 Ų421%0.00822%0.218CC..Hα-helixtrans-56.3-40.618000000112.3G227 F228 Y235 M244 F245G227-A231 WeakPolarHBondContact O-CB 3.42Å; G227-A231 PolarHBondContact O-N 3.49Å; F228-A231 PolarHBondContact O-N 3.29Å; A231-Y235 VanDerWaalsContact O-CB 3.26Å; A231-Y235 WeakPolarHBondContact O-CB 3.3Å; A231-Y235 PolarHBondContact O-N 3.41Å; A231-M244 HydrophobicContact CB-CB 3.7Å; A231-F245 HydrophobicContact CB-CD1 3.84Å; A231-F245 HydrophobicContact CB-CE1 3.97Å; A231-F245 HydrophobicContact CB-CG 4.29Å
232R95.1Very high93.4Very high39 Ų3943.8 Ų43.815%0.14723%0.227CC..Hα-helixtrans-68.2-35.6177.9-175.7167.4176.1-128.815.9113.2K113 E116 S117 F228 H229 I230 F236 F245K113-R232 PolarHBondContact O-NH1 2.87Å; E116-R232 IonicContact OE2-CZ 2.7Å; E116-R232 IonicContact OE2-NH1 3.34Å; E116-R232 PolarHBondContact OE2-NH1 3.18Å; E116-R232 IonicContact OE2-NH2 2.79Å; E116-R232 PolarHBondContact OE2-NH2 3.05Å; S117-R232 VanDerWaalsContact OG-CD 3.24Å; S117-R232 WeakPolarHBondContact OG-CD 3.31Å; S117-R232 WeakPolarHBondContact OG-CG 3.16Å; S117-R232 PolarHBondContact OG-NH1 2.69Å; F228-R232 VanDerWaalsContact O-CB 3.29Å; F228-R232 WeakPolarHBondContact O-CB 3.48Å; F228-R232 PolarHBondContact O-N 3.05Å; H229-R232 PolarHBondContact O-N 2.92Å; I230-R232 VanDerWaalsContact C-N 3.26Å; I230-R232 PolarHBondContact O-N 3.02Å; R232-F236 HydrophobicContact CG-CD2 4.26Å; R232-F236 HydrophobicContact CG-CE2 3.64Å; R232-F236 HydrophobicContact CG-CZ 3.92Å; R232-F236 WeakPolarHBondContact O-CD2 3.29Å; R232-F236 VanDerWaalsContact O-CG 3.31Å; R232-F236 WeakPolarHBondContact O-CG 3.38Å; R232-F236 PolarHBondContact O-N 2.87Å; R232-F245 HydrophobicContact CB-CE1 4.17Å; R232-F245 HydrophobicContact CB-CZ 4.03Å
233M94.8Very high92.9Very high38 Ų3851.8 Ų51.819%0.18726%0.261CS..Hα-helixtrans-69.8-48175.1-72.9173.975.700111.7L97 F114 C121 H229 I230 Y235 F236 T237L97-M233 HydrophobicContact CD2-CE 4.44Å; F114-M233 HydrophobicContact CD2-CB 4.45Å; F114-M233 HydrophobicContact CD2-CG 4.33Å; F114-M233 HydrophobicContact CE1-CE 4Å; F114-M233 HydrophobicContact CE2-CB 3.94Å; F114-M233 HydrophobicContact CE2-CE 4.15Å; F114-M233 HydrophobicContact CE2-CG 4.09Å; F114-M233 HydrophobicContact CZ-CE 3.62Å; F114-M233 HydrophobicContact CZ-CG 4.49Å; C121-M233 HydrophobicContact CB-SD 3.78Å; H229-M233 VanDerWaalsContact O-CG 3.29Å; H229-M233 WeakPolarHBondContact O-CG 3.31Å; H229-M233 PolarHBondContact O-N 3.45Å; I230-M233 PolarHBondContact O-N 2.92Å; I230-M233 VanDerWaalsContact O-N 3.1Å; M233-Y235 VanDerWaalsContact C-N 3.33Å; M233-Y235 PolarHBondContact O-N 2.91Å; M233-F236 PolarHBondContact O-N 3.23Å; M233-F236 VanDerWaalsContact O-N 3.14Å; M233-T237 PolarHBondContact O-N 3.41Å; M233-T237 VanDerWaalsContact O-N 3.16Å; M233-T237 PolarHBondContact O-OG1 3.41Å
234F93.9Very high92.7Very high99 Ų9950.9 Ų50.943%0.43426%0.256SS..Hα-helixtrans-60.1-42.8176.4-85.9-86.4000112I230 F236 T237 D238 H241 M244I230-F234 HydrophobicContact CG2-CD2 3.81Å; I230-F234 HydrophobicContact CG2-CE2 3.91Å; I230-F234 WeakPolarHBondContact O-CD2 3.45Å; I230-F234 PolarHBondContact O-N 3.24Å; F234-F236 VanDerWaalsContact C-N 3.29Å; F234-F236 PolarHBondContact O-N 3.48Å; F234-T237 WeakPolarHBondContact O-CB 3.31Å; F234-T237 PolarHBondContact O-N 3Å; F234-T237 VanDerWaalsContact O-N 3.14Å; F234-D238 PolarHBondContact O-N 2.86Å; F234-H241 HydrophobicContact CB-CB 4.04Å; F234-M244 HydrophobicContact CB-CE 4.22Å; F234-M244 HydrophobicContact CB-SD 3.47Å; F234-M244 WeakPolarHBondContact CB-SD 3.27Å; F234-M244 HydrophobicContact CD1-SD 4.26Å; F234-M244 HydrophobicContact CD2-CE 3.7Å; F234-M244 HydrophobicContact CD2-SD 4.04Å; F234-M244 HydrophobicContact CE2-CE 4.25Å; F234-M244 HydrophobicContact CG-CE 3.99Å; F234-M244 HydrophobicContact CG-SD 3.67Å
235Y92.1Very high92.5Very high49 Ų4951.1 Ų51.119%0.19226%0.256CS..Hα-helixtrans-60.9-33.1174.9176.1-107.6000114A231 M233 D238 E239 Q242 F245A231-Y235 VanDerWaalsContact O-CB 3.26Å; A231-Y235 WeakPolarHBondContact O-CB 3.3Å; A231-Y235 PolarHBondContact O-N 3.41Å; M233-Y235 VanDerWaalsContact C-N 3.33Å; M233-Y235 PolarHBondContact O-N 2.91Å; Y235-D238 CarbonylContact O-C 3.6Å; Y235-E239 HydrophobicContact CD2-CB 4.26Å; Y235-E239 HydrophobicContact CD2-CG 4.37Å; Y235-E239 HydrophobicContact CE2-CB 3.67Å; Y235-E239 HydrophobicContact CE2-CG 3.74Å; Y235-Q242 HydrophobicContact CD2-CG 4.01Å; Y235-Q242 HydrophobicContact CE2-CG 3.81Å; Y235-F245 HydrophobicContact CD1-CE2 4.06Å; Y235-F245 HydrophobicContact CD2-CE2 4.33Å; Y235-F245 AromaticContact CG-CE2 3.74Å; Y235-F245 HydrophobicContact CG-CE2 3.74Å; Y235-F245 HydrophobicContact CG-CZ 4.47Å
236F91.6Very high92.2Very high23 Ų2354.4 Ų54.410%0.10127%0.274CS..Hα-helixtrans-74.9-28.5175.4-71.1-31000113.2L106 K110 K113 F114 R232 M233 F234L106-F236 HydrophobicContact CD1-CB 4.46Å; L106-F236 VanDerWaalsContact CD2-O 3.28Å; L106-F236 WeakPolarHBondContact CD2-O 3.28Å; K110-F236 HydrophobicContact CD-CD1 4.47Å; K110-F236 HydrophobicContact CG-CD1 4.37Å; K113-F236 HydrophobicContact CB-CE2 3.66Å; K113-F236 HydrophobicContact CB-CZ 3.72Å; K113-F236 HydrophobicContact CD-CZ 4.33Å; F114-F236 HydrophobicContact CB-CD2 4.05Å; F114-F236 HydrophobicContact CD2-CB 3.97Å; F114-F236 HydrophobicContact CD2-CD2 4.09Å; R232-F236 HydrophobicContact CG-CD2 4.26Å; R232-F236 HydrophobicContact CG-CE2 3.64Å; R232-F236 HydrophobicContact CG-CZ 3.92Å; R232-F236 WeakPolarHBondContact O-CD2 3.29Å; R232-F236 VanDerWaalsContact O-CG 3.31Å; R232-F236 WeakPolarHBondContact O-CG 3.38Å; R232-F236 PolarHBondContact O-N 2.87Å; M233-F236 PolarHBondContact O-N 3.23Å; M233-F236 VanDerWaalsContact O-N 3.14Å; F234-F236 VanDerWaalsContact C-N 3.29Å; F234-F236 PolarHBondContact O-N 3.48Å
237T89.4Confident92.1Very high75 Ų7557.7 Ų57.746%0.4630%0.296SS..Hα-helixtrans-71.3-49.5172.3-630000111.5L104 M233 F234L104-T237 WeakPolarHBondContact CD1-OG1 3.4Å; L104-T237 HydrophobicContact CD2-CG2 3.79Å; M233-T237 PolarHBondContact O-N 3.41Å; M233-T237 VanDerWaalsContact O-N 3.16Å; M233-T237 PolarHBondContact O-OG1 3.41Å; F234-T237 WeakPolarHBondContact O-CB 3.31Å; F234-T237 PolarHBondContact O-N 3Å; F234-T237 VanDerWaalsContact O-N 3.14Å
238D86.9Confident92Very high72 Ų7257.3 Ų57.339%0.38529%0.287SS..  trans-148.7122.4176.5168.320.1000110.2F234 Y235 S240 H241F234-D238 PolarHBondContact O-N 2.86Å; Y235-D238 CarbonylContact O-C 3.6Å; D238-S240 PolarHBondContact O-N 3.32Å; D238-S240 VanDerWaalsContact O-N 3.1Å; D238-S240 WeakPolarHBondContact OD1-CB 3.35Å; D238-S240 PolarHBondContact OD1-N 2.88Å; D238-S240 PolarHBondContact OD1-OG 3.4Å; D238-S240 WeakPolarHBondContact OD2-CB 3.22Å; D238-S240 PolarHBondContact OD2-OG 2.82Å; D238-H241 PolarHBondContact O-N 3.28Å; D238-H241 VanDerWaalsContact O-N 3.15Å; D238-H241 PolarHBondContact O-ND1 3.4Å; D238-H241 IonicContact OD2-CE1 2.65Å; D238-H241 PolarHBondContact OD2-CE1 2.87Å; D238-H241 IonicContact OD2-ND1 3.88Å
239E85.5Confident91.9Very high98 Ų9856.8 Ų56.846%0.45829%0.287SS..G310 helixtrans-66.8-10.1-176.7-61.7-174.5175.200113.2K110 Y235 H241 Q242K110-E239 IonicContact NZ-OE1 2.74Å; K110-E239 PolarHBondContact NZ-OE1 2.84Å; Y235-E239 HydrophobicContact CD2-CB 4.26Å; Y235-E239 HydrophobicContact CD2-CG 4.37Å; Y235-E239 HydrophobicContact CE2-CB 3.67Å; Y235-E239 HydrophobicContact CE2-CG 3.74Å; E239-H241 PolarHBondContact O-N 2.88Å; E239-Q242 VanDerWaalsContact O-CG 3.22Å; E239-Q242 WeakPolarHBondContact O-CG 3.31Å
240S85.6Confident91.9Very high81 Ų8161.5 Ų61.557%0.56632%0.316SS*.G310 helixtrans-61.7-26.217084.80000113.4D238 Q242D238-S240 PolarHBondContact O-N 3.32Å; D238-S240 VanDerWaalsContact O-N 3.1Å; D238-S240 WeakPolarHBondContact OD1-CB 3.35Å; D238-S240 PolarHBondContact OD1-N 2.88Å; D238-S240 PolarHBondContact OD1-OG 3.4Å; D238-S240 WeakPolarHBondContact OD2-CB 3.22Å; D238-S240 PolarHBondContact OD2-OG 2.82Å; S240-Q242 PolarHBondContact O-N 2.74Å
241H88.4Confident91.8Very high63 Ų6362 Ų6229%0.29232%0.323SS..G310 helixtrans-74.212.4-176.3-6485.5000114.6F234 D238 E239 K243 M244F234-H241 HydrophobicContact CB-CB 4.04Å; D238-H241 PolarHBondContact O-N 3.28Å; D238-H241 VanDerWaalsContact O-N 3.15Å; D238-H241 PolarHBondContact O-ND1 3.4Å; D238-H241 IonicContact OD2-CE1 2.65Å; D238-H241 PolarHBondContact OD2-CE1 2.87Å; D238-H241 IonicContact OD2-ND1 3.88Å; E239-H241 PolarHBondContact O-N 2.88Å; H241-K243 PolarHBondContact O-N 2.72Å; H241-M244 HydrophobicContact CB-CG 4.4Å; H241-M244 HydrophobicContact CB-SD 4.02Å; H241-M244 WeakPolarHBondContact O-CB 3.46Å; H241-M244 WeakPolarHBondContact O-CG 3.35Å; H241-M244 PolarHBondContact O-N 2.79Å
242Q85.4Confident91.9Very high56 Ų5662.2 Ų62.226%0.26233%0.325SS..G310 helixtrans-46-35.1176.2-80.1-84.36.200113.8Y235 E239 S240 M244 F245 R317Y235-Q242 HydrophobicContact CD2-CG 4.01Å; Y235-Q242 HydrophobicContact CE2-CG 3.81Å; E239-Q242 VanDerWaalsContact O-CG 3.22Å; E239-Q242 WeakPolarHBondContact O-CG 3.31Å; S240-Q242 PolarHBondContact O-N 2.74Å; Q242-M244 PolarHBondContact O-N 3.48Å; Q242-M244 VanDerWaalsContact O-N 3.17Å; Q242-F245 PolarHBondContact O-N 3.49Å; Q242-F245 VanDerWaalsContact O-N 3.11Å; Q242-R317 PolarHBondContact O-NH2 3.26Å
243K88.6Confident91.9Very high168 Ų16863.2 Ų63.273%0.7334%0.335SS*.G310 helixtrans-58.9-24.9178.6-66-175.2-179.5179.80114H241 F245 D246 V247H241-K243 PolarHBondContact O-N 2.72Å; K243-F245 PolarHBondContact O-N 3Å; K243-D246 WeakPolarHBondContact CA-OD2 3.24Å; K243-D246 WeakPolarHBondContact O-CB 3.49Å; K243-D246 PolarHBondContact O-N 3.36Å; K243-V247 PolarHBondContact O-N 2.69Å
244M92.8Very high92.1Very high54 Ų5467.8 Ų67.827%0.26635%0.354SS..Hα-helixtrans-65.1-29.6177.7-62.3-176.471.900112.3I230 A231 F234 H241 Q242 D246 W248I230-M244 HydrophobicContact CG2-CE 3.73Å; A231-M244 HydrophobicContact CB-CB 3.7Å; F234-M244 HydrophobicContact CB-CE 4.22Å; F234-M244 HydrophobicContact CB-SD 3.47Å; F234-M244 WeakPolarHBondContact CB-SD 3.27Å; F234-M244 HydrophobicContact CD1-SD 4.26Å; F234-M244 HydrophobicContact CD2-CE 3.7Å; F234-M244 HydrophobicContact CD2-SD 4.04Å; F234-M244 HydrophobicContact CE2-CE 4.25Å; F234-M244 HydrophobicContact CG-CE 3.99Å; F234-M244 HydrophobicContact CG-SD 3.67Å; H241-M244 HydrophobicContact CB-CG 4.4Å; H241-M244 HydrophobicContact CB-SD 4.02Å; H241-M244 WeakPolarHBondContact O-CB 3.46Å; H241-M244 WeakPolarHBondContact O-CG 3.35Å; H241-M244 PolarHBondContact O-N 2.79Å; Q242-M244 PolarHBondContact O-N 3.48Å; Q242-M244 VanDerWaalsContact O-N 3.17Å; M244-D246 VanDerWaalsContact C-N 3.28Å; M244-D246 PolarHBondContact O-N 3.13Å; M244-W248 WeakPolarHBondContact O-CB 3.33Å; M244-W248 PolarHBondContact O-N 2.81Å
245F92.9Very high92.2Very high8 Ų863.6 Ų63.64%0.03534%0.336CS..Hα-helixtrans-70.1-23.6172.1-72.1-64.3000113.1F228 A231 R232 Y235 Q242 K243 W248 A249 F313F228-F245 HydrophobicContact CD2-CD1 4.49Å; F228-F245 HydrophobicContact CD2-CE1 4.16Å; F228-F245 HydrophobicContact CE2-CD1 4.49Å; F228-F245 AromaticContact CE2-CE1 3.94Å; F228-F245 HydrophobicContact CE2-CE1 3.94Å; A231-F245 HydrophobicContact CB-CD1 3.84Å; A231-F245 HydrophobicContact CB-CE1 3.97Å; A231-F245 HydrophobicContact CB-CG 4.29Å; R232-F245 HydrophobicContact CB-CE1 4.17Å; R232-F245 HydrophobicContact CB-CZ 4.03Å; Y235-F245 HydrophobicContact CD1-CE2 4.06Å; Y235-F245 HydrophobicContact CD2-CE2 4.33Å; Y235-F245 AromaticContact CG-CE2 3.74Å; Y235-F245 HydrophobicContact CG-CE2 3.74Å; Y235-F245 HydrophobicContact CG-CZ 4.47Å; Q242-F245 PolarHBondContact O-N 3.49Å; Q242-F245 VanDerWaalsContact O-N 3.11Å; K243-F245 PolarHBondContact O-N 3Å; F245-W248 HydrophobicContact CD1-CE3 4.23Å; F245-A249 WeakPolarHBondContact O-CB 3.15Å; F245-A249 PolarHBondContact O-N 3.46Å; F245-F313 HydrophobicContact CD1-CE1 4.16Å; F245-F313 AromaticContact CD1-CZ 3.94Å; F245-F313 HydrophobicContact CD1-CZ 3.94Å; F245-F313 AromaticContact CE1-CZ 3.92Å; F245-F313 HydrophobicContact CE1-CZ 3.92Å; F245-F313 HydrophobicContact CG-CZ 4.38Å; F245-F313 HydrophobicContact CZ-CZ 4.32Å
246D91.9Very high92.4Very high74 Ų7461.5 Ų61.540%0.39633%0.328SS..Hα-helixtrans-77.6-42.8177.2-56-44.9000110.6K243 M244 A249 V250 R317K243-D246 WeakPolarHBondContact CA-OD2 3.24Å; K243-D246 WeakPolarHBondContact O-CB 3.49Å; K243-D246 PolarHBondContact O-N 3.36Å; M244-D246 VanDerWaalsContact C-N 3.28Å; M244-D246 PolarHBondContact O-N 3.13Å; D246-A249 WeakPolarHBondContact O-CB 3.5Å; D246-A249 PolarHBondContact O-N 3.48Å; D246-V250 PolarHBondContact O-N 2.94Å; D246-V250 VanDerWaalsContact O-N 3.16Å; D246-R317 VanDerWaalsContact CG-NH2 3.29Å; D246-R317 IonicContact OD1-CZ 3.37Å; D246-R317 VanDerWaalsContact OD1-CZ 3.25Å; D246-R317 IonicContact OD1-NH1 3.41Å; D246-R317 PolarHBondContact OD1-NH1 3.43Å; D246-R317 IonicContact OD1-NH2 3.22Å; D246-R317 PolarHBondContact OD1-NH2 3.42Å; D246-R317 IonicContact OD2-NH2 3.71Å; D246-R317 PolarHBondContact OD2-NH2 2.8Å
247V94.1Very high92.7Very high100 Ų10066 Ų6661%0.60635%0.351SS*.Hα-helixtrans-58.7-50.6170.5179.40000110.3K243 A249 V250 C251K243-V247 PolarHBondContact O-N 2.69Å; V247-A249 VanDerWaalsContact C-N 3.27Å; V247-A249 PolarHBondContact O-N 2.88Å; V247-V250 PolarHBondContact O-N 2.88Å; V247-C251 PolarHBondContact O-N 3.32Å; V247-C251 VanDerWaalsContact O-N 3.1Å; V247-C251 PolarHBondContact O-SG 3.43Å; V247-C251 VanDerWaalsContact O-SG 3.37Å
248W95.9Very high93Very high17 Ų1764.3 Ų64.36%0.06434%0.34CS..Hα-helixtrans-57.3-39.6174.7166.570000112.4S224 F228 M244 F245 V250 C251 F252 F310 F313S224-W248 VanDerWaalsContact O-CD1 3.3Å; S224-W248 PolarHBondContact O-NE1 3.39Å; F228-W248 HydrophobicContact CB-CD2 4.22Å; F228-W248 HydrophobicContact CB-CG 4.37Å; F228-W248 HydrophobicContact CB-CZ2 4.02Å; F228-W248 AromaticContact CD2-CD2 4Å; F228-W248 HydrophobicContact CD2-CD2 4Å; F228-W248 AromaticContact CD2-CE2 3.77Å; F228-W248 HydrophobicContact CD2-CE3 4.08Å; F228-W248 AromaticContact CD2-CH2 3.66Å; F228-W248 HydrophobicContact CD2-CH2 3.66Å; F228-W248 AromaticContact CD2-CZ2 3.6Å; F228-W248 HydrophobicContact CD2-CZ2 3.6Å; F228-W248 AromaticContact CD2-CZ3 3.92Å; F228-W248 HydrophobicContact CD2-CZ3 3.92Å; F228-W248 HydrophobicContact CE2-CH2 4.12Å; F228-W248 HydrophobicContact CE2-CZ2 4.45Å; F228-W248 HydrophobicContact CE2-CZ3 4.32Å; F228-W248 HydrophobicContact CG-CZ2 4.09Å; M244-W248 WeakPolarHBondContact O-CB 3.33Å; M244-W248 PolarHBondContact O-N 2.81Å; F245-W248 HydrophobicContact CD1-CE3 4.23Å; W248-V250 PolarHBondContact O-N 3.36Å; W248-C251 PolarHBondContact O-N 3.12Å; W248-F252 HydrophobicContact CZ2-CB 4.2Å; W248-F252 AromaticContact CZ2-CD2 3.76Å; W248-F252 HydrophobicContact CZ2-CD2 3.76Å; W248-F252 HydrophobicContact CZ2-CE2 4.37Å; W248-F252 HydrophobicContact CZ2-CG 4.03Å; W248-F252 VanDerWaalsContact O-CB 3.25Å; W248-F252 WeakPolarHBondContact O-CB 3.35Å; W248-F252 PolarHBondContact O-N 3.25Å; W248-F310 AromaticContact CH2-CD2 3.66Å; W248-F310 HydrophobicContact CH2-CD2 3.66Å; W248-F310 HydrophobicContact CH2-CE2 4.17Å; W248-F310 HydrophobicContact CZ2-CD2 4.36Å; W248-F310 AromaticContact CZ3-CD2 3.95Å; W248-F310 HydrophobicContact CZ3-CD2 3.95Å; W248-F310 HydrophobicContact CZ3-CE2 4.03Å; W248-F313 HydrophobicContact CH2-CD1 4.45Å; W248-F313 AromaticContact CZ3-CD1 3.96Å; W248-F313 HydrophobicContact CZ3-CD1 3.96Å; W248-F313 AromaticContact CZ3-CE1 3.84Å; W248-F313 HydrophobicContact CZ3-CE1 3.84Å
249A95.5Very high93.5Very high14 Ų1461 Ų6112%0.11632%0.323CS..Hα-helixtrans-63.2-40.8-178.800000112.9F245 D246 V247 F252 V253 F310F245-A249 WeakPolarHBondContact O-CB 3.15Å; F245-A249 PolarHBondContact O-N 3.46Å; D246-A249 WeakPolarHBondContact O-CB 3.5Å; D246-A249 PolarHBondContact O-N 3.48Å; V247-A249 VanDerWaalsContact C-N 3.27Å; V247-A249 PolarHBondContact O-N 2.88Å; A249-F252 PolarHBondContact O-N 3.02Å; A249-V253 WeakPolarHBondContact O-CG2 3.32Å; A249-V253 PolarHBondContact O-N 3.12Å; A249-V253 VanDerWaalsContact O-N 3.13Å; A249-F310 HydrophobicContact CB-CE2 3.79Å; A249-F310 HydrophobicContact CB-CZ 3.93Å
250V95.8Very high94Very high108 Ų10858.6 Ų58.666%0.65531%0.313SS*.Hα-helixtrans-63.9-49.7174.1176.30000110.2D246 V247 W248 F252 V253 F254D246-V250 PolarHBondContact O-N 2.94Å; D246-V250 VanDerWaalsContact O-N 3.16Å; V247-V250 PolarHBondContact O-N 2.88Å; W248-V250 PolarHBondContact O-N 3.36Å; V250-F252 VanDerWaalsContact C-N 3.33Å; V250-F252 PolarHBondContact O-N 3.42Å; V250-V253 PolarHBondContact O-N 3.05Å; V250-F254 WeakPolarHBondContact O-CB 3.24Å; V250-F254 PolarHBondContact O-N 3.5Å
251C95.8Very high94.5Very high64 Ų6459.1 Ų59.143%0.43231%0.313SS..Hα-helixtrans-57.7-44.6176.9-65.10000111.9V247 W248 F254 T255V247-C251 PolarHBondContact O-N 3.32Å; V247-C251 VanDerWaalsContact O-N 3.1Å; V247-C251 PolarHBondContact O-SG 3.43Å; V247-C251 VanDerWaalsContact O-SG 3.37Å; W248-C251 PolarHBondContact O-N 3.12Å; C251-F254 PolarHBondContact O-N 2.94Å; C251-T255 PolarHBondContact O-N 3.48Å; C251-T255 PolarHBondContact O-OG1 2.84Å
252F97.1Very high94.9Very high7 Ų757.7 Ų57.73%0.03131%0.307CS..Hα-helixtrans-57.7-53.7179.2177.2-92000111.7S224 W248 A249 V250 F254 T255 R256 L306 L307 F310S224-F252 WeakPolarHBondContact OG-CA 3.49Å; W248-F252 HydrophobicContact CZ2-CB 4.2Å; W248-F252 AromaticContact CZ2-CD2 3.76Å; W248-F252 HydrophobicContact CZ2-CD2 3.76Å; W248-F252 HydrophobicContact CZ2-CE2 4.37Å; W248-F252 HydrophobicContact CZ2-CG 4.03Å; W248-F252 VanDerWaalsContact O-CB 3.25Å; W248-F252 WeakPolarHBondContact O-CB 3.35Å; W248-F252 PolarHBondContact O-N 3.25Å; A249-F252 PolarHBondContact O-N 3.02Å; V250-F252 VanDerWaalsContact C-N 3.33Å; V250-F252 PolarHBondContact O-N 3.42Å; F252-F254 VanDerWaalsContact C-N 3.32Å; F252-F254 PolarHBondContact O-N 3.07Å; F252-T255 WeakPolarHBondContact O-CB 3.38Å; F252-T255 PolarHBondContact O-N 3.4Å; F252-T255 VanDerWaalsContact O-N 3.16Å; F252-R256 HydrophobicContact CD1-CG 4.18Å; F252-R256 HydrophobicContact CE1-CG 3.81Å; F252-R256 HydrophobicContact CZ-CG 4.03Å; F252-R256 WeakPolarHBondContact O-CG 3.38Å; F252-R256 PolarHBondContact O-N 3.32Å; F252-L306 HydrophobicContact CZ-CB 4.26Å; F252-L307 HydrophobicContact CE1-CD2 4.23Å; F252-F310 HydrophobicContact CB-CE2 4.44Å; F252-F310 HydrophobicContact CD1-CB 4.11Å; F252-F310 HydrophobicContact CD1-CD1 4.22Å; F252-F310 AromaticContact CD1-CD2 3.37Å; F252-F310 HydrophobicContact CD1-CD2 3.37Å; F252-F310 AromaticContact CD1-CE2 3.73Å; F252-F310 HydrophobicContact CD1-CE2 3.73Å; F252-F310 AromaticContact CD1-CG 3.65Å; F252-F310 HydrophobicContact CD1-CG 3.65Å; F252-F310 HydrophobicContact CD1-CZ 4.29Å; F252-F310 HydrophobicContact CE1-CB 3.39Å; F252-F310 HydrophobicContact CE1-CD1 4.04Å; F252-F310 AromaticContact CE1-CD2 3.61Å; F252-F310 HydrophobicContact CE1-CD2 3.61Å; F252-F310 HydrophobicContact CE1-CE2 4.36Å; F252-F310 AromaticContact CE1-CG 3.41Å; F252-F310 HydrophobicContact CE1-CG 3.41Å; F252-F310 VanDerWaalsContact CE1-CG 3.41Å; F252-F310 HydrophobicContact CG-CD2 4.01Å; F252-F310 HydrophobicContact CG-CE2 4.29Å; F252-F310 HydrophobicContact CZ-CB 3.75Å; F252-F310 HydrophobicContact CZ-CD2 4.39Å; F252-F310 HydrophobicContact CZ-CG 4.23Å
253V96.9Very high95.3Very high59 Ų5955.2 Ų55.236%0.35830%0.296SS..Hα-helixtrans-59-45.4179.3173.50000110.7A249 V250 T255 R256 M257 F310A249-V253 WeakPolarHBondContact O-CG2 3.32Å; A249-V253 PolarHBondContact O-N 3.12Å; A249-V253 VanDerWaalsContact O-N 3.13Å; V250-V253 PolarHBondContact O-N 3.05Å; V253-T255 PolarHBondContact O-N 2.99Å; V253-R256 PolarHBondContact O-N 3.2Å; V253-R256 VanDerWaalsContact O-N 3.16Å; V253-M257 HydrophobicContact CG1-SD 4.29Å; V253-M257 WeakPolarHBondContact O-CG 3.17Å; V253-M257 PolarHBondContact O-N 3.34Å; V253-F310 HydrophobicContact CG2-CE1 4.01Å; V253-F310 HydrophobicContact CG2-CZ 3.95Å
254F97Very high95.7Very high134 Ų13451.7 Ų51.759%0.58828%0.281SS*.Hα-helixtrans-58.1-46.7175.1179.4-100.5000112V250 C251 F252 R256 M257 V258V250-F254 WeakPolarHBondContact O-CB 3.24Å; V250-F254 PolarHBondContact O-N 3.5Å; C251-F254 PolarHBondContact O-N 2.94Å; F252-F254 VanDerWaalsContact C-N 3.32Å; F252-F254 PolarHBondContact O-N 3.07Å; F254-R256 VanDerWaalsContact C-N 3.32Å; F254-R256 PolarHBondContact O-N 2.97Å; F254-M257 PolarHBondContact O-N 3.45Å; F254-V258 HydrophobicContact CD1-CG2 4.23Å; F254-V258 HydrophobicContact CD2-CG2 4.41Å; F254-V258 HydrophobicContact CE1-CG2 3.79Å; F254-V258 HydrophobicContact CE2-CG2 3.99Å; F254-V258 HydrophobicContact CZ-CG2 3.66Å; F254-V258 WeakPolarHBondContact O-CG2 3.33Å; F254-V258 PolarHBondContact O-N 2.94Å
255T97.2Very high95.8Very high12 Ų1252.4 Ų52.47%0.07429%0.285CS..Hα-helixtrans-56.4-45174.9-48.40000111.2L220 S224 C251 F252 V253 M257 V258 T259L220-T255 HydrophobicContact CB-CG2 3.79Å; L220-T255 WeakPolarHBondContact O-CG2 3.27Å; S224-T255 PolarHBondContact OG-OG1 2.98Å; C251-T255 PolarHBondContact O-N 3.48Å; C251-T255 PolarHBondContact O-OG1 2.84Å; F252-T255 WeakPolarHBondContact O-CB 3.38Å; F252-T255 PolarHBondContact O-N 3.4Å; F252-T255 VanDerWaalsContact O-N 3.16Å; V253-T255 PolarHBondContact O-N 2.99Å; T255-M257 PolarHBondContact O-N 3.36Å; T255-V258 PolarHBondContact O-N 3.27Å; T255-T259 VanDerWaalsContact O-CB 3.28Å; T255-T259 WeakPolarHBondContact O-CB 3.47Å; T255-T259 PolarHBondContact O-N 3.46Å; T255-T259 PolarHBondContact O-OG1 2.98Å
256R97.1Very high96Very high4 Ų452.1 Ų52.12%0.01528%0.284CS..Hα-helixtrans-61.8-43.2179.4-57.2-53.868.6169.83.7112Q221 F252 V253 F254 T259 L260 Q303 L307Q221-R256 VanDerWaalsContact OE1-CZ 3.26Å; F252-R256 HydrophobicContact CD1-CG 4.18Å; F252-R256 HydrophobicContact CE1-CG 3.81Å; F252-R256 HydrophobicContact CZ-CG 4.03Å; F252-R256 WeakPolarHBondContact O-CG 3.38Å; F252-R256 PolarHBondContact O-N 3.32Å; V253-R256 PolarHBondContact O-N 3.2Å; V253-R256 VanDerWaalsContact O-N 3.16Å; F254-R256 VanDerWaalsContact C-N 3.32Å; F254-R256 PolarHBondContact O-N 2.97Å; R256-T259 PolarHBondContact O-N 2.69Å; R256-L260 WeakPolarHBondContact O-CG 3.32Å; R256-L260 PolarHBondContact O-N 3.35Å; R256-Q303 VanDerWaalsContact NE-OE1 3.12Å; R256-L307 HydrophobicContact CB-CD2 4.45Å; R256-L307 HydrophobicContact CG-CD2 4.02Å; R256-L307 HydrophobicContact CG-CG 4.25Å
257M96.4Very high96.2Very high119 Ų11948.7 Ų48.759%0.58627%0.266SS*.Hα-helixtrans-61.1-51.1176.8-67.9176.668.700111.1V253 F254 T255 T259 L260 T261V253-M257 HydrophobicContact CG1-SD 4.29Å; V253-M257 WeakPolarHBondContact O-CG 3.17Å; V253-M257 PolarHBondContact O-N 3.34Å; F254-M257 PolarHBondContact O-N 3.45Å; T255-M257 PolarHBondContact O-N 3.36Å; M257-T259 PolarHBondContact O-N 3.19Å; M257-L260 PolarHBondContact O-N 2.91Å; M257-T261 WeakPolarHBondContact O-CB 3.46Å; M257-T261 PolarHBondContact O-N 3.46Å; M257-T261 PolarHBondContact O-OG1 2.83Å; M257-T261 VanDerWaalsContact O-OG1 3.05Å
258V96.6Very high96.2Very high39 Ų3944.9 Ų44.924%0.23625%0.247CC..Hα-helixtrans-61.7-43.8178.6177.10000111.5L220 F254 T255 L260 T261 L262L220-V258 HydrophobicContact CD1-CB 4.48Å; L220-V258 HydrophobicContact CD1-CG1 3.73Å; L220-V258 HydrophobicContact CD2-CG1 4.49Å; F254-V258 HydrophobicContact CD1-CG2 4.23Å; F254-V258 HydrophobicContact CD2-CG2 4.41Å; F254-V258 HydrophobicContact CE1-CG2 3.79Å; F254-V258 HydrophobicContact CE2-CG2 3.99Å; F254-V258 HydrophobicContact CZ-CG2 3.66Å; F254-V258 WeakPolarHBondContact O-CG2 3.33Å; F254-V258 PolarHBondContact O-N 2.94Å; T255-V258 PolarHBondContact O-N 3.27Å; V258-L260 PolarHBondContact O-N 2.8Å; V258-T261 PolarHBondContact O-N 3.15Å; V258-L262 HydrophobicContact CG1-CD1 3.72Å; V258-L262 HydrophobicContact CG1-CG 4.14Å; V258-L262 WeakPolarHBondContact O-CB 3.38Å; V258-L262 VanDerWaalsContact O-CG 3.32Å; V258-L262 WeakPolarHBondContact O-CG 3.32Å; V258-L262 PolarHBondContact O-N 2.83Å
259T96.8Very high96.2Very high3 Ų350.2 Ų50.22%0.01827%0.271CS..Hα-helixtrans-57.7-47.6176.9-67.10000112.2L217 T255 R256 M257 M263 Q303L217-T259 HydrophobicContact CD2-CG2 4.08Å; T255-T259 VanDerWaalsContact O-CB 3.28Å; T255-T259 WeakPolarHBondContact O-CB 3.47Å; T255-T259 PolarHBondContact O-N 3.46Å; T255-T259 PolarHBondContact O-OG1 2.98Å; R256-T259 PolarHBondContact O-N 2.69Å; M257-T259 PolarHBondContact O-N 3.19Å; T259-M263 VanDerWaalsContact O-CB 3.27Å; T259-M263 WeakPolarHBondContact O-CB 3.34Å; T259-M263 PolarHBondContact O-N 3.49Å; T259-M263 VanDerWaalsContact O-N 3.09Å; T259-Q303 HydrophobicContact CG2-CG 4.19Å
260L96.9Very high96.2Very high46 Ų4650 Ų5024%0.24127%0.269CS..Hα-helixtrans-67.5-46.6178.7-73170000111.6R256 M257 V258 L262 M263 F264 Q303R256-L260 WeakPolarHBondContact O-CG 3.32Å; R256-L260 PolarHBondContact O-N 3.35Å; M257-L260 PolarHBondContact O-N 2.91Å; V258-L260 PolarHBondContact O-N 2.8Å; L260-L262 PolarHBondContact O-N 3.46Å; L260-M263 PolarHBondContact O-N 3.3Å; L260-F264 WeakPolarHBondContact O-CD2 3.41Å; L260-F264 PolarHBondContact O-N 2.93Å; L260-Q303 HydrophobicContact CD1-CB 4.41Å; L260-Q303 HydrophobicContact CD2-CB 3.99Å; L260-Q303 HydrophobicContact CD2-CG 3.74Å; L260-Q303 HydrophobicContact CG-CB 4.3Å; L260-Q303 HydrophobicContact CG-CG 4.06Å
261T95.9Very high96.2Very high93 Ų9345.1 Ų45.157%0.57124%0.239SC*.Hα-helixtrans-58.8-47.6178.8-62.50000111.8M257 V258 M263 L265M257-T261 WeakPolarHBondContact O-CB 3.46Å; M257-T261 PolarHBondContact O-N 3.46Å; M257-T261 PolarHBondContact O-OG1 2.83Å; M257-T261 VanDerWaalsContact O-OG1 3.05Å; V258-T261 PolarHBondContact O-N 3.15Å; T261-M263 PolarHBondContact O-N 3.48Å; T261-L265 WeakPolarHBondContact O-CB 3.24Å; T261-L265 PolarHBondContact O-N 3.23Å
262L95.4Very high96.1Very high33 Ų3343.6 Ų43.617%0.17323%0.231CC..Hα-helixtrans-63.8-39.4177.8-72176000112.3L147 V216 L217 L220 V258 L260 L265 A266L147-L262 HydrophobicContact CD1-CD2 4.36Å; V216-L262 HydrophobicContact CG1-CD1 3.69Å; L217-L262 HydrophobicContact CD2-CB 4.29Å; L220-L262 HydrophobicContact CD1-CD1 3.95Å; V258-L262 HydrophobicContact CG1-CD1 3.72Å; V258-L262 HydrophobicContact CG1-CG 4.14Å; V258-L262 WeakPolarHBondContact O-CB 3.38Å; V258-L262 VanDerWaalsContact O-CG 3.32Å; V258-L262 WeakPolarHBondContact O-CG 3.32Å; V258-L262 PolarHBondContact O-N 2.83Å; L260-L262 PolarHBondContact O-N 3.46Å; L262-L265 PolarHBondContact O-N 3.33Å; L262-A266 VanDerWaalsContact O-CB 3.27Å; L262-A266 WeakPolarHBondContact O-CB 3.26Å; L262-A266 PolarHBondContact O-N 2.95Å
263M95.3Very high96Very high4 Ų453.5 Ų53.52%0.0227%0.269CS..Hα-helixtrans-66.5-45.9179.3-177.162.4-163.500112V213 L217 T259 L260 T261 V267 G268 V295 L296 V299V213-M263 HydrophobicContact CG1-SD 4.48Å; L217-M263 HydrophobicContact CD1-CB 4.46Å; L217-M263 HydrophobicContact CD1-SD 4.25Å; T259-M263 VanDerWaalsContact O-CB 3.27Å; T259-M263 WeakPolarHBondContact O-CB 3.34Å; T259-M263 PolarHBondContact O-N 3.49Å; T259-M263 VanDerWaalsContact O-N 3.09Å; L260-M263 PolarHBondContact O-N 3.3Å; T261-M263 PolarHBondContact O-N 3.48Å; M263-V267 HydrophobicContact CE-CB 3.62Å; M263-V267 HydrophobicContact CE-CG1 3.83Å; M263-V267 HydrophobicContact CE-CG2 3.61Å; M263-V267 WeakPolarHBondContact O-CB 3.33Å; M263-V267 PolarHBondContact O-N 3.37Å; M263-V267 HydrophobicContact SD-CB 4.23Å; M263-V267 HydrophobicContact SD-CG2 3.84Å; M263-G268 PolarHBondContact O-N 2.89Å; M263-V295 HydrophobicContact CE-CB 4.05Å; M263-V295 HydrophobicContact CE-CG1 3.5Å; M263-V295 VanDerWaalsContact CE-CG1 3.5Å; M263-L296 HydrophobicContact CE-CD2 3.9Å; M263-L296 HydrophobicContact CE-CG 4.02Å; M263-L296 HydrophobicContact CG-CD2 3.94Å; M263-V299 HydrophobicContact CB-CG1 4.35Å; M263-V299 HydrophobicContact CE-CG2 4.2Å; M263-V299 HydrophobicContact CG-CB 4.13Å; M263-V299 HydrophobicContact CG-CG1 3.96Å; M263-V299 HydrophobicContact CG-CG2 4.26Å; M263-V299 HydrophobicContact SD-CG2 4.12Å
264F95.9Very high95.8Very high94 Ų9452 Ų5241%0.41226%0.263SS..Iπ-helixtrans-65.7-39.9174.2-87.4-78.6000112.1L260 G268 F269 L296L260-F264 WeakPolarHBondContact O-CD2 3.41Å; L260-F264 PolarHBondContact O-N 2.93Å; F264-G268 CarbonylContact O-C 3.51Å; F264-G268 WeakPolarHBondContact O-CA 3.5Å; F264-G268 PolarHBondContact O-N 2.84Å; F264-F269 WeakPolarHBondContact O-CD2 3.38Å; F264-F269 PolarHBondContact O-N 3Å; F264-L296 HydrophobicContact CD1-CD2 4.07Å; F264-L296 HydrophobicContact CE1-CD2 4.22Å; F264-L296 HydrophobicContact CG-CD2 4.3Å
265L95.9Very high95.4Very high69 Ų6955.1 Ų55.136%0.36128%0.279SS..Iπ-helixtrans-63.6-51.7177.5-177.563.2000111.5W148 T261 L262 F269 G270W148-L265 HydrophobicContact CH2-CD1 4.11Å; W148-L265 HydrophobicContact CH2-CD2 3.73Å; W148-L265 HydrophobicContact CH2-CG 3.58Å; W148-L265 HydrophobicContact CZ2-CG 4.48Å; W148-L265 HydrophobicContact CZ3-CD2 3.89Å; W148-L265 HydrophobicContact CZ3-CG 3.71Å; T261-L265 WeakPolarHBondContact O-CB 3.24Å; T261-L265 PolarHBondContact O-N 3.23Å; L262-L265 PolarHBondContact O-N 3.33Å; L265-F269 PolarHBondContact O-N 3.15Å; L265-G270 PolarHBondContact O-N 2.92Å
266A95.9Very high95.1Very high1 Ų157.2 Ų57.21%0.00829%0.29CS..Iπ-helixtrans-74-52.4-17500000113W148 V213 L262 G270 L271W148-A266 HydrophobicContact CB-CB 4.34Å; W148-A266 HydrophobicContact CD2-CB 4.4Å; W148-A266 VanDerWaalsContact CE3-CA 3.45Å; W148-A266 HydrophobicContact CE3-CB 3.61Å; W148-A266 HydrophobicContact CZ3-CB 4.31Å; V213-A266 HydrophobicContact CG2-CB 3.6Å; L262-A266 VanDerWaalsContact O-CB 3.27Å; L262-A266 WeakPolarHBondContact O-CB 3.26Å; L262-A266 PolarHBondContact O-N 2.95Å; A266-G270 CarbonylContact O-C 3.57Å; A266-G270 WeakPolarHBondContact O-CA 3.48Å; A266-G270 PolarHBondContact O-N 2.96Å; A266-L271 PolarHBondContact O-N 3.36Å
267V96.1Very high94.9Very high2 Ų261.6 Ų61.61%0.01231%0.31CS..Iπ-helixtrans-93-36.7-173.3179.80000111.8L210 M263 L271 R292 L296L210-V267 HydrophobicContact CD2-CG2 4.44Å; M263-V267 HydrophobicContact CE-CB 3.62Å; M263-V267 HydrophobicContact CE-CG1 3.83Å; M263-V267 HydrophobicContact CE-CG2 3.61Å; M263-V267 WeakPolarHBondContact O-CB 3.33Å; M263-V267 PolarHBondContact O-N 3.37Å; M263-V267 HydrophobicContact SD-CB 4.23Å; M263-V267 HydrophobicContact SD-CG2 3.84Å; V267-L271 HydrophobicContact CB-CD1 4.48Å; V267-L271 HydrophobicContact CG1-CD1 4.41Å; V267-L271 HydrophobicContact CG2-CD1 4.15Å; V267-R292 HydrophobicContact CG1-CB 4.05Å; V267-R292 HydrophobicContact CG1-CG 4.1Å; V267-R292 WeakPolarHBondContact O-CD 3.47Å; V267-L296 HydrophobicContact CG1-CD1 4.46Å; V267-L296 HydrophobicContact CG1-CG 4.18Å
268G95.3Very high94.8Very high20 Ų2057.1 Ų57.121%0.20630%0.295CS..Iπ-helixtrans-75.1-39.818000000114.2M263 F264 A272M263-G268 PolarHBondContact O-N 2.89Å; F264-G268 CarbonylContact O-C 3.51Å; F264-G268 WeakPolarHBondContact O-CA 3.5Å; F264-G268 PolarHBondContact O-N 2.84Å; G268-A272 WeakPolarHBondContact O-CB 3.46Å
269F95.1Very high94.7Very high130 Ų13059.5 Ų59.557%0.5731%0.306SS*.Iπ-helixtrans-110.6-47.4-179.3-66.9-69.9000113.6F264 L265 R273F264-F269 WeakPolarHBondContact O-CD2 3.38Å; F264-F269 PolarHBondContact O-N 3Å; L265-F269 PolarHBondContact O-N 3.15Å; F269-R273 WeakPolarHBondContact O-CB 3.19Å; F269-R273 VanDerWaalsContact O-CG 3.25Å; F269-R273 WeakPolarHBondContact O-CG 3.41Å; F269-R273 PolarHBondContact O-N 3.41Å; F269-R273 VanDerWaalsContact O-N 3.11Å
270G95.4Very high94.7Very high8 Ų862 Ų628%0.08232%0.319CS..Iπ-helixtrans-60.7-65.5-17600000112.6L265 A266 A272 R273 A274L265-G270 PolarHBondContact O-N 2.92Å; A266-G270 CarbonylContact O-C 3.57Å; A266-G270 WeakPolarHBondContact O-CA 3.48Å; A266-G270 PolarHBondContact O-N 2.96Å; G270-A272 VanDerWaalsContact C-N 3.25Å; G270-A272 PolarHBondContact O-N 2.83Å; G270-R273 PolarHBondContact O-N 3.47Å; G270-R273 VanDerWaalsContact O-N 3.09Å; G270-A274 PolarHBondContact O-N 2.86Å; G270-A274 VanDerWaalsContact O-N 3.16Å
271L95.5Very high94.5Very high6 Ų668.2 Ų68.23%0.03134%0.339CS..Hα-helixtrans-62.6-30.2177.6-64.8-176.6000113.4W148 Y151 L210 A266 V267 R273 A274 N287W148-L271 HydrophobicContact CB-CD2 3.99Å; W148-L271 HydrophobicContact CB-CG 4.2Å; Y151-L271 VanDerWaalsContact CB-CD2 3.44Å; Y151-L271 HydrophobicContact CD1-CD2 3.8Å; Y151-L271 HydrophobicContact CD2-CD1 4.45Å; Y151-L271 HydrophobicContact CD2-CD2 4.03Å; Y151-L271 HydrophobicContact CG-CD2 3.45Å; Y151-L271 VanDerWaalsContact CG-CD2 3.45Å; L210-L271 HydrophobicContact CD2-CD1 3.59Å; A266-L271 PolarHBondContact O-N 3.36Å; V267-L271 HydrophobicContact CB-CD1 4.48Å; V267-L271 HydrophobicContact CG1-CD1 4.41Å; V267-L271 HydrophobicContact CG2-CD1 4.15Å; L271-R273 PolarHBondContact O-N 3.16Å; L271-A274 PolarHBondContact O-N 3.16Å; L271-N287 PolarHBondContact O-ND2 3.35Å; L271-N287 PolarHBondContact O-OD1 3.05Å
272A94.5Very high94.2Very high32 Ų3271.5 Ų71.526%0.26435%0.354SS..Hα-helixtrans-73.7-12.7176.800000114.2G268 G270 Q277G268-A272 WeakPolarHBondContact O-CB 3.46Å; G270-A272 VanDerWaalsContact C-N 3.25Å; G270-A272 PolarHBondContact O-N 2.83Å; A272-Q277 PolarHBondContact O-NE2 3.5Å
273R94Very high94.1Very high216 Ų21675.4 Ų75.482%0.81537%0.374SS*.Hα-helixtrans-108.7-5.1173.9-67.4178.473.6174.44.7113.3F269 G270 L271F269-R273 WeakPolarHBondContact O-CB 3.19Å; F269-R273 VanDerWaalsContact O-CG 3.25Å; F269-R273 WeakPolarHBondContact O-CG 3.41Å; F269-R273 PolarHBondContact O-N 3.41Å; F269-R273 VanDerWaalsContact O-N 3.11Å; G270-R273 PolarHBondContact O-N 3.47Å; G270-R273 VanDerWaalsContact O-N 3.09Å; L271-R273 PolarHBondContact O-N 3.16Å
274A92.8Very high94Very high28 Ų2875.4 Ų75.423%0.23138%0.375CS..SBendtrans-67.8147.2171.700000110.8G270 L271 N276 Q277G270-A274 PolarHBondContact O-N 2.86Å; G270-A274 VanDerWaalsContact O-N 3.16Å; L271-A274 PolarHBondContact O-N 3.16Å; A274-N276 VanDerWaalsContact C-N 3.34Å; A274-N276 WeakPolarHBondContact CB-OD1 3.43Å; A274-Q277 WeakPolarHBondContact O-CG 3.28Å; A274-Q277 PolarHBondContact O-NE2 3.46Å
275E90.1Very high94Very high199 Ų19971.7 Ų71.793%0.9336%0.36SS*.SBendtrans-71.8-29.6-176.7-61.7179.3169.200112.4Q277E275-Q277 PolarHBondContact O-N 3.39Å
276N89.8Confident94Very high56 Ų5668.8 Ų68.830%0.29934%0.344SS..  trans-79.747.3-175.667.7-12.4000114.1Y151 A274 G278 N285 N287Y151-N276 PolarHBondContact O-ND2 3.22Å; A274-N276 VanDerWaalsContact C-N 3.34Å; A274-N276 WeakPolarHBondContact CB-OD1 3.43Å; N276-G278 PolarHBondContact O-N 2.83Å; N276-N285 PolarHBondContact O-ND2 2.96Å; N276-N287 PolarHBondContact OD1-ND2 3.41Å
277Q93.3Very high94.1Very high95 Ų9568.8 Ų68.844%0.44434%0.344SS..  trans-75.6117.8177.8-51.4-155.63300110.9A272 A274 E275 N287A272-Q277 PolarHBondContact O-NE2 3.5Å; A274-Q277 WeakPolarHBondContact O-CG 3.28Å; A274-Q277 PolarHBondContact O-NE2 3.46Å; E275-Q277 PolarHBondContact O-N 3.39Å; Q277-N287 WeakPolarHBondContact CA-O 3.35Å
278G93.6Very high94.1Very high26 Ų2670.3 Ų70.327%0.26835%0.353SS..SBendtrans169.7-176.7-174.900000113N276 N287 T288N276-G278 PolarHBondContact O-N 2.83Å; G278-N287 PolarHBondContact N-O 3.35Å; G278-N287 VanDerWaalsContact N-O 3.11Å; G278-N287 CarbonylContact O-C 3.33Å; G278-N287 VanDerWaalsContact O-C 3.25Å; G278-N287 PolarHBondContact O-N 3.1Å; G278-T288 VanDerWaalsContact O-CG2 3.28Å; G278-T288 WeakPolarHBondContact O-CG2 3.42Å; G278-T288 PolarHBondContact O-N 3.06Å
279L96.2Very high94.2Very high88 Ų8873.4 Ų73.446%0.46137%0.368SS..  trans-125.1116.5169.717965.6000107.7W281 N285 F286 T288 I291L279-W281 HydrophobicContact CD1-CZ2 4.4Å; L279-W281 HydrophobicContact CD2-CZ2 4.35Å; L279-N285 WeakPolarHBondContact CA-O 3.49Å; L279-F286 HydrophobicContact CD1-CD1 3.58Å; L279-F286 HydrophobicContact CD1-CE1 4.11Å; L279-T288 HydrophobicContact CB-CG2 3.79Å; L279-I291 HydrophobicContact CD1-CD1 4.25Å
280D95.1Very high94.3Very high56 Ų5673.4 Ų73.430%0.29937%0.373SS..BIsolated β-bridgetrans-137.4114.9175.9-173.3-38.2000107.8D282 L283 G284 N285D280-D282 PolarHBondContact OD1-N 3.15Å; D280-L283 HydrophobicContact CB-CB 4.21Å; D280-L283 PolarHBondContact OD1-N 3.29Å; D280-L283 WeakPolarHBondContact OD2-CD1 3.36Å; D280-L283 WeakPolarHBondContact OD2-CG 3.42Å; D280-G284 CarbonylContact O-C 3.46Å; D280-G284 PolarHBondContact O-N 3.41Å; D280-G284 VanDerWaalsContact O-N 3.15Å; D280-N285 HydrophobicContact CB-CB 4.14Å; D280-N285 PolarHBondContact N-O 2.94Å; D280-N285 PolarHBondContact O-N 3.29Å
281W92.6Very high94.4Very high176 Ų17674.9 Ų74.967%0.66738%0.379SS*.THydrogen-bonded Turntrans-77.4-31.7-176.5-66.490.8000112.4L279 G284 F286L279-W281 HydrophobicContact CD1-CZ2 4.4Å; L279-W281 HydrophobicContact CD2-CZ2 4.35Å; W281-G284 PolarHBondContact O-N 3.16Å; W281-F286 HydrophobicContact CD2-CE1 4.14Å; W281-F286 AromaticContact CE3-CE1 3.63Å; W281-F286 HydrophobicContact CE3-CE1 3.63Å; W281-F286 HydrophobicContact CE3-CZ 4Å; W281-F286 HydrophobicContact CH2-CE1 4.07Å; W281-F286 AromaticContact CZ3-CE1 3.6Å; W281-F286 HydrophobicContact CZ3-CE1 3.6Å; W281-F286 HydrophobicContact CZ3-CZ 4.13Å
282D91.1Very high94.4Very high163 Ų16375.4 Ų75.487%0.87238%0.38SS*.THydrogen-bonded Turntrans-78.2-36.9-176-61.5-44.1000110.7D280 G284D280-D282 PolarHBondContact OD1-N 3.15Å; D282-G284 VanDerWaalsContact C-N 3.31Å
283L92Very high94.6Very high115 Ų11579.2 Ų79.260%0.60239%0.394SS*.THydrogen-bonded Turntrans-83.7-3.3169.9-59.6-176.7000113.4P152 V154 D280 N285P152-L283 VanDerWaalsContact CG-O 3.28Å; P152-L283 WeakPolarHBondContact CG-O 3.48Å; V154-L283 WeakPolarHBondContact CG2-O 3.24Å; D280-L283 HydrophobicContact CB-CB 4.21Å; D280-L283 PolarHBondContact OD1-N 3.29Å; D280-L283 WeakPolarHBondContact OD2-CD1 3.36Å; D280-L283 WeakPolarHBondContact OD2-CG 3.42Å; L283-N285 PolarHBondContact O-N 3.28Å
284G93.6Very high94.8Very high4 Ų472.7 Ų72.74%0.04138%0.378CS..THydrogen-bonded Turntrans61.726.3-177.800000114.3P152 N209 D280 W281 D282 F286P152-G284 WeakPolarHBondContact CB-O 3.34Å; N209-G284 PolarHBondContact ND2-O 2.87Å; D280-G284 CarbonylContact O-C 3.46Å; D280-G284 PolarHBondContact O-N 3.41Å; D280-G284 VanDerWaalsContact O-N 3.15Å; W281-G284 PolarHBondContact O-N 3.16Å; D282-G284 VanDerWaalsContact C-N 3.31Å; G284-F286 VanDerWaalsContact O-CD2 3.26Å; G284-F286 WeakPolarHBondContact O-CD2 3.47Å; G284-F286 WeakPolarHBondContact O-CE2 3.21Å
285N96.4Very high95Very high16 Ų1672.2 Ų72.29%0.08637%0.372CS..BIsolated β-bridgetrans-89.4114.1179.1-178.413.3000110.7Y151 P152 N276 L279 D280 L283 N287Y151-N285 WeakPolarHBondContact CE1-OD1 3.41Å; P152-N285 HydrophobicContact CG-CB 4.13Å; N276-N285 PolarHBondContact O-ND2 2.96Å; L279-N285 WeakPolarHBondContact CA-O 3.49Å; D280-N285 HydrophobicContact CB-CB 4.14Å; D280-N285 PolarHBondContact N-O 2.94Å; D280-N285 PolarHBondContact O-N 3.29Å; L283-N285 PolarHBondContact O-N 3.28Å; N285-N287 WeakPolarHBondContact OD1-CB 3.25Å; N285-N287 PolarHBondContact OD1-N 3.48Å
286F96.3Very high95.4Very high8 Ų863.3 Ų63.34%0.03533%0.331CS..  trans-109.920.5177.5-56.7-78.6000113Y151 L207 L208 L279 W281 G284 T288 I291Y151-F286 WeakPolarHBondContact OH-CB 3.38Å; Y151-F286 PolarHBondContact OH-N 3.37Å; Y151-F286 VanDerWaalsContact OH-N 3.15Å; L207-F286 WeakPolarHBondContact O-CE2 3.43Å; L208-F286 HydrophobicContact CB-CD2 4.41Å; L208-F286 HydrophobicContact CD2-CB 4.03Å; L208-F286 HydrophobicContact CD2-CD1 4.19Å; L208-F286 HydrophobicContact CD2-CD2 4.26Å; L208-F286 HydrophobicContact CD2-CG 3.88Å; L279-F286 HydrophobicContact CD1-CD1 3.58Å; L279-F286 HydrophobicContact CD1-CE1 4.11Å; W281-F286 HydrophobicContact CD2-CE1 4.14Å; W281-F286 AromaticContact CE3-CE1 3.63Å; W281-F286 HydrophobicContact CE3-CE1 3.63Å; W281-F286 HydrophobicContact CE3-CZ 4Å; W281-F286 HydrophobicContact CH2-CE1 4.07Å; W281-F286 AromaticContact CZ3-CE1 3.6Å; W281-F286 HydrophobicContact CZ3-CE1 3.6Å; W281-F286 HydrophobicContact CZ3-CZ 4.13Å; G284-F286 VanDerWaalsContact O-CD2 3.26Å; G284-F286 WeakPolarHBondContact O-CD2 3.47Å; G284-F286 WeakPolarHBondContact O-CE2 3.21Å; F286-T288 PolarHBondContact O-N 3.02Å; F286-I291 HydrophobicContact CB-CD1 3.92Å; F286-I291 HydrophobicContact CB-CG2 4.38Å; F286-I291 HydrophobicContact CD1-CD1 4.3Å; F286-I291 WeakPolarHBondContact O-CB 3.44Å
287N96.6Very high95.8Very high1 Ų165.6 Ų65.61%0.00534%0.343CS..  trans-76.956.9-172.2-165.817.2000114.3Y151 L271 N276 Q277 G278 N285 R292Y151-N287 HydrophobicContact CD1-CB 4.24Å; Y151-N287 HydrophobicContact CE1-CB 3.86Å; L271-N287 PolarHBondContact O-ND2 3.35Å; L271-N287 PolarHBondContact O-OD1 3.05Å; N276-N287 PolarHBondContact OD1-ND2 3.41Å; Q277-N287 WeakPolarHBondContact CA-O 3.35Å; G278-N287 PolarHBondContact N-O 3.35Å; G278-N287 VanDerWaalsContact N-O 3.11Å; G278-N287 CarbonylContact O-C 3.33Å; G278-N287 VanDerWaalsContact O-C 3.25Å; G278-N287 PolarHBondContact O-N 3.1Å; N285-N287 WeakPolarHBondContact OD1-CB 3.25Å; N285-N287 PolarHBondContact OD1-N 3.48Å; N287-R292 PolarHBondContact O-NH1 3.2Å; N287-R292 WeakPolarHBondContact OD1-CD 3.39Å; N287-R292 PolarHBondContact OD1-NH1 3.06Å
288T96.9Very high96Very high33 Ų3362.9 Ų62.920%0.20233%0.331CS..  trans-97.4152.8172.2650000111.8G278 L279 F286 L290 I291 R292G278-T288 VanDerWaalsContact O-CG2 3.28Å; G278-T288 WeakPolarHBondContact O-CG2 3.42Å; G278-T288 PolarHBondContact O-N 3.06Å; L279-T288 HydrophobicContact CB-CG2 3.79Å; F286-T288 PolarHBondContact O-N 3.02Å; T288-L290 PolarHBondContact O-N 3.13Å; T288-I291 PolarHBondContact O-N 3.16Å; T288-I291 WeakPolarHBondContact OG1-CB 3.27Å; T288-I291 VanDerWaalsContact OG1-CG1 3.3Å; T288-I291 WeakPolarHBondContact OG1-CG1 3.33Å; T288-I291 PolarHBondContact OG1-N 3.16Å; T288-I291 VanDerWaalsContact OG1-N 3.15Å; T288-R292 WeakPolarHBondContact O-CB 3.34Å; T288-R292 WeakPolarHBondContact O-CG 3.43Å; T288-R292 PolarHBondContact O-N 2.94Å
289V96.6Very high96.1Very high85 Ų8562 Ų6252%0.51532%0.321SS..Hα-helixtrans-53.3-43.4172.71790000111R292 M293V289-R292 PolarHBondContact O-N 3.28Å; V289-M293 HydrophobicContact CG1-CG 4.16Å; V289-M293 WeakPolarHBondContact O-CB 3.41Å; V289-M293 WeakPolarHBondContact O-CG 3.39Å; V289-M293 PolarHBondContact O-N 2.75Å
290L97.3Very high96.2Very high130 Ų13059.3 Ų59.368%0.68131%0.309SS*.Hα-helixtrans-59.5-53.9-180-178.263000111.3T288 R292 M293 T294T288-L290 PolarHBondContact O-N 3.13Å; L290-R292 PolarHBondContact O-N 2.76Å; L290-M293 PolarHBondContact O-N 2.86Å; L290-T294 WeakPolarHBondContact O-CB 3.49Å; L290-T294 PolarHBondContact O-N 3.05Å; L290-T294 PolarHBondContact O-OG1 3.14Å; L290-T294 VanDerWaalsContact O-OG1 3.05Å
291I97.1Very high96.3Very high40 Ų4061.7 Ų61.721%0.20532%0.321CS..Hα-helixtrans-63.3-45.3-179.1-66.5173.7000110.6L208 L279 F286 T288 M293 T294 V295L208-I291 HydrophobicContact CD1-CG2 4.05Å; L208-I291 HydrophobicContact CD2-CG2 4.26Å; L279-I291 HydrophobicContact CD1-CD1 4.25Å; F286-I291 HydrophobicContact CB-CD1 3.92Å; F286-I291 HydrophobicContact CB-CG2 4.38Å; F286-I291 HydrophobicContact CD1-CD1 4.3Å; F286-I291 WeakPolarHBondContact O-CB 3.44Å; T288-I291 PolarHBondContact O-N 3.16Å; T288-I291 WeakPolarHBondContact OG1-CB 3.27Å; T288-I291 VanDerWaalsContact OG1-CG1 3.3Å; T288-I291 WeakPolarHBondContact OG1-CG1 3.33Å; T288-I291 PolarHBondContact OG1-N 3.16Å; T288-I291 VanDerWaalsContact OG1-N 3.15Å; I291-M293 VanDerWaalsContact C-N 3.34Å; I291-M293 PolarHBondContact O-N 2.83Å; I291-T294 PolarHBondContact O-N 3.28Å; I291-V295 HydrophobicContact CG2-CG2 4.25Å; I291-V295 WeakPolarHBondContact O-CG2 3.16Å; I291-V295 PolarHBondContact O-N 3.39Å
292R97.2Very high96.5Very high16 Ų1654 Ų546%0.0629%0.293CS..Hα-helixtrans-54.1-49.5175.4-70.2-169.2-59.4-104.913.5111.5V267 N287 T288 V289 L290 V295 L296V267-R292 HydrophobicContact CG1-CB 4.05Å; V267-R292 HydrophobicContact CG1-CG 4.1Å; V267-R292 WeakPolarHBondContact O-CD 3.47Å; N287-R292 PolarHBondContact O-NH1 3.2Å; N287-R292 WeakPolarHBondContact OD1-CD 3.39Å; N287-R292 PolarHBondContact OD1-NH1 3.06Å; T288-R292 WeakPolarHBondContact O-CB 3.34Å; T288-R292 WeakPolarHBondContact O-CG 3.43Å; T288-R292 PolarHBondContact O-N 2.94Å; V289-R292 PolarHBondContact O-N 3.28Å; L290-R292 PolarHBondContact O-N 2.76Å; R292-V295 PolarHBondContact O-N 3.44Å; R292-L296 WeakPolarHBondContact O-CB 3.27Å; R292-L296 WeakPolarHBondContact O-CD1 3.23Å; R292-L296 VanDerWaalsContact O-CG 3.25Å; R292-L296 WeakPolarHBondContact O-CG 3.4Å; R292-L296 PolarHBondContact O-N 2.87Å
293M97.6Very high96.8Very high113 Ų11346.8 Ų46.856%0.55726%0.255SS*.Hα-helixtrans-68.4-36.4-179.6-66.1-60.3169.400112.6V289 L290 I291 L296 L297V289-M293 HydrophobicContact CG1-CG 4.16Å; V289-M293 WeakPolarHBondContact O-CB 3.41Å; V289-M293 WeakPolarHBondContact O-CG 3.39Å; V289-M293 PolarHBondContact O-N 2.75Å; L290-M293 PolarHBondContact O-N 2.86Å; I291-M293 VanDerWaalsContact C-N 3.34Å; I291-M293 PolarHBondContact O-N 2.83Å; M293-L296 HydrophobicContact SD-CD1 4.11Å; M293-L297 WeakPolarHBondContact O-CB 3.36Å; M293-L297 PolarHBondContact O-N 3.47Å
294T98.1Very high97Very high79 Ų7944.7 Ų44.749%0.48525%0.249SC..Hα-helixtrans-64.3-45.3174.1-62.20000112L290 I291 L297 L298L290-T294 WeakPolarHBondContact O-CB 3.49Å; L290-T294 PolarHBondContact O-N 3.05Å; L290-T294 PolarHBondContact O-OG1 3.14Å; L290-T294 VanDerWaalsContact O-OG1 3.05Å; I291-T294 PolarHBondContact O-N 3.28Å; T294-L297 PolarHBondContact O-N 2.95Å; T294-L298 VanDerWaalsContact O-CB 3.31Å; T294-L298 WeakPolarHBondContact O-CB 3.28Å; T294-L298 PolarHBondContact O-N 3.03Å
295V97.8Very high97.1Very high17 Ų1747.5 Ų47.510%0.10326%0.259CS..Hα-helixtrans-68-41.1178.3-173.30000110.6L208 L210 M263 I291 R292 L298 V299L208-V295 HydrophobicContact CD1-CG2 3.61Å; L210-V295 HydrophobicContact CD1-CG1 4.32Å; L210-V295 HydrophobicContact CD1-CG2 4.42Å; M263-V295 HydrophobicContact CE-CB 4.05Å; M263-V295 HydrophobicContact CE-CG1 3.5Å; M263-V295 VanDerWaalsContact CE-CG1 3.5Å; I291-V295 HydrophobicContact CG2-CG2 4.25Å; I291-V295 WeakPolarHBondContact O-CG2 3.16Å; I291-V295 PolarHBondContact O-N 3.39Å; R292-V295 PolarHBondContact O-N 3.44Å; V295-L298 PolarHBondContact O-N 2.88Å; V295-V299 WeakPolarHBondContact O-CG2 3.48Å; V295-V299 PolarHBondContact O-N 3.27Å
296L97.7Very high97Very high12 Ų1247.1 Ų47.16%0.06326%0.257CS..Hα-helixtrans-58-48.7172.8-76.3163.1000111.8M263 F264 V267 R292 M293 V299 C300M263-L296 HydrophobicContact CE-CD2 3.9Å; M263-L296 HydrophobicContact CE-CG 4.02Å; M263-L296 HydrophobicContact CG-CD2 3.94Å; F264-L296 HydrophobicContact CD1-CD2 4.07Å; F264-L296 HydrophobicContact CE1-CD2 4.22Å; F264-L296 HydrophobicContact CG-CD2 4.3Å; V267-L296 HydrophobicContact CG1-CD1 4.46Å; V267-L296 HydrophobicContact CG1-CG 4.18Å; R292-L296 WeakPolarHBondContact O-CB 3.27Å; R292-L296 WeakPolarHBondContact O-CD1 3.23Å; R292-L296 VanDerWaalsContact O-CG 3.25Å; R292-L296 WeakPolarHBondContact O-CG 3.4Å; R292-L296 PolarHBondContact O-N 2.87Å; M293-L296 HydrophobicContact SD-CD1 4.11Å; L296-V299 PolarHBondContact O-N 3.42Å; L296-C300 VanDerWaalsContact O-CB 3.29Å; L296-C300 WeakPolarHBondContact O-CB 3.34Å; L296-C300 PolarHBondContact O-N 3.32Å; L296-C300 PolarHBondContact O-SG 2.96Å
297L97.9Very high97Very high104 Ų10449.3 Ų49.355%0.54527%0.268SS..Hα-helixtrans-61.6-45.9178.4179.563000111.7M293 T294 V299 C300 L301M293-L297 WeakPolarHBondContact O-CB 3.36Å; M293-L297 PolarHBondContact O-N 3.47Å; T294-L297 PolarHBondContact O-N 2.95Å; L297-V299 PolarHBondContact O-N 3.31Å; L297-C300 PolarHBondContact O-N 3.35Å; L297-L301 HydrophobicContact CD1-CD1 3.93Å; L297-L301 HydrophobicContact CD1-CG 3.96Å; L297-L301 HydrophobicContact CG-CD1 3.87Å; L297-L301 HydrophobicContact CG-CG 4.31Å; L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 VanDerWaalsContact O-CG 3.27Å; L297-L301 WeakPolarHBondContact O-CG 3.33Å; L297-L301 PolarHBondContact O-N 2.93Å
298L97.7Very high97Very high38 Ų3856.1 Ų56.120%0.19929%0.294CS..Hα-helixtrans-57.8-48177.5171.761.7000111.9L200 T294 V295 T302L200-L298 HydrophobicContact CD1-CD2 4.48Å; L200-L298 HydrophobicContact CD2-CD1 3.6Å; L200-L298 HydrophobicContact CD2-CD2 4.07Å; L200-L298 HydrophobicContact CD2-CG 4.49Å; L200-L298 HydrophobicContact CG-CD1 4.35Å; L200-L298 HydrophobicContact CG-CD2 3.96Å; T294-L298 VanDerWaalsContact O-CB 3.31Å; T294-L298 WeakPolarHBondContact O-CB 3.28Å; T294-L298 PolarHBondContact O-N 3.03Å; V295-L298 PolarHBondContact O-N 2.88Å; L298-T302 WeakPolarHBondContact O-CB 3.37Å; L298-T302 PolarHBondContact O-N 3.45Å; L298-T302 VanDerWaalsContact O-N 3.08Å; L298-T302 PolarHBondContact O-OG1 3.48Å
299V97.3Very high96.8Very high8 Ų858.3 Ų58.35%0.04830%0.301CS..Hα-helixtrans-64.1-49.5177.1174.10000109.9M263 V295 L296 L297 L301 T302 Q303M263-V299 HydrophobicContact CB-CG1 4.35Å; M263-V299 HydrophobicContact CE-CG2 4.2Å; M263-V299 HydrophobicContact CG-CB 4.13Å; M263-V299 HydrophobicContact CG-CG1 3.96Å; M263-V299 HydrophobicContact CG-CG2 4.26Å; M263-V299 HydrophobicContact SD-CG2 4.12Å; V295-V299 WeakPolarHBondContact O-CG2 3.48Å; V295-V299 PolarHBondContact O-N 3.27Å; L296-V299 PolarHBondContact O-N 3.42Å; L297-V299 PolarHBondContact O-N 3.31Å; V299-L301 PolarHBondContact O-N 2.84Å; V299-T302 PolarHBondContact O-N 2.87Å; V299-T302 VanDerWaalsContact O-N 3.13Å; V299-Q303 HydrophobicContact CG1-CG 4.03Å; V299-Q303 VanDerWaalsContact O-CG 3.31Å; V299-Q303 WeakPolarHBondContact O-CG 3.1Å; V299-Q303 PolarHBondContact O-N 3.14Å
300C97.3Very high96.7Very high31 Ų3155.7 Ų55.721%0.20928%0.282CS..Hα-helixtrans-57.7-45.7180-76.10000113L296 L297 T302 Q303 S304L296-C300 VanDerWaalsContact O-CB 3.29Å; L296-C300 WeakPolarHBondContact O-CB 3.34Å; L296-C300 PolarHBondContact O-N 3.32Å; L296-C300 PolarHBondContact O-SG 2.96Å; L297-C300 PolarHBondContact O-N 3.35Å; C300-T302 VanDerWaalsContact C-N 3.33Å; C300-T302 PolarHBondContact O-N 3.09Å; C300-Q303 PolarHBondContact O-N 3.41Å; C300-S304 VanDerWaalsContact O-CB 3.31Å; C300-S304 WeakPolarHBondContact O-CB 3.28Å; C300-S304 PolarHBondContact O-N 3.47Å; C300-S304 PolarHBondContact O-OG 3.01Å
301L97.5Very high96.5Very high106 Ų10653.1 Ų53.156%0.55527%0.269SS*.Hα-helixtrans-61.8-41.3176.1-72.3173.5000111.4L297 V299 S304 W305L297-L301 HydrophobicContact CD1-CD1 3.93Å; L297-L301 HydrophobicContact CD1-CG 3.96Å; L297-L301 HydrophobicContact CG-CD1 3.87Å; L297-L301 HydrophobicContact CG-CG 4.31Å; L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 VanDerWaalsContact O-CG 3.27Å; L297-L301 WeakPolarHBondContact O-CG 3.33Å; L297-L301 PolarHBondContact O-N 2.93Å; V299-L301 PolarHBondContact O-N 2.84Å; L301-S304 PolarHBondContact O-N 3.48Å; L301-W305 WeakPolarHBondContact O-CB 3.27Å; L301-W305 PolarHBondContact O-N 3.19Å
302T96.6Very high96.4Very high15 Ų1557.7 Ų57.79%0.09228%0.283CS..Hα-helixtrans-68-43178.2-56.60000111.9L197 H201 L298 V299 C300 S304 W305 L306L197-T302 HydrophobicContact CD1-CG2 4.48Å; L197-T302 HydrophobicContact CD2-CG2 4.15Å; H201-T302 PolarHBondContact CE1-OG1 3.3Å; H201-T302 PolarHBondContact NE2-OG1 2.7Å; L298-T302 WeakPolarHBondContact O-CB 3.37Å; L298-T302 PolarHBondContact O-N 3.45Å; L298-T302 VanDerWaalsContact O-N 3.08Å; L298-T302 PolarHBondContact O-OG1 3.48Å; V299-T302 PolarHBondContact O-N 2.87Å; V299-T302 VanDerWaalsContact O-N 3.13Å; C300-T302 VanDerWaalsContact C-N 3.33Å; C300-T302 PolarHBondContact O-N 3.09Å; T302-S304 VanDerWaalsContact C-N 3.34Å; T302-S304 PolarHBondContact O-N 3.46Å; T302-W305 PolarHBondContact O-N 2.98Å; T302-L306 HydrophobicContact CG2-CD1 4.29Å; T302-L306 WeakPolarHBondContact O-CG 3.34Å; T302-L306 PolarHBondContact O-N 3.11Å
303Q96.8Very high96.1Very high12 Ų1259.9 Ų59.96%0.05629%0.294CS..Hα-helixtrans-62.9-41174-63.8-47.5-52.400111.4R256 T259 L260 V299 C300 L306 L307R256-Q303 VanDerWaalsContact NE-OE1 3.12Å; T259-Q303 HydrophobicContact CG2-CG 4.19Å; L260-Q303 HydrophobicContact CD1-CB 4.41Å; L260-Q303 HydrophobicContact CD2-CB 3.99Å; L260-Q303 HydrophobicContact CD2-CG 3.74Å; L260-Q303 HydrophobicContact CG-CB 4.3Å; L260-Q303 HydrophobicContact CG-CG 4.06Å; V299-Q303 HydrophobicContact CG1-CG 4.03Å; V299-Q303 VanDerWaalsContact O-CG 3.31Å; V299-Q303 WeakPolarHBondContact O-CG 3.1Å; V299-Q303 PolarHBondContact O-N 3.14Å; C300-Q303 PolarHBondContact O-N 3.41Å; Q303-L306 PolarHBondContact O-N 2.73Å; Q303-L307 WeakPolarHBondContact O-CB 3.27Å; Q303-L307 WeakPolarHBondContact O-CG 3.32Å; Q303-L307 PolarHBondContact O-N 3.26Å
304S96.1Very high95.8Very high70 Ų7056.5 Ų56.549%0.4928%0.276SS..Hα-helixtrans-64.2-41.4176.4-58.20000112.1C300 L301 T302 L307 W308C300-S304 VanDerWaalsContact O-CB 3.31Å; C300-S304 WeakPolarHBondContact O-CB 3.28Å; C300-S304 PolarHBondContact O-N 3.47Å; C300-S304 PolarHBondContact O-OG 3.01Å; L301-S304 PolarHBondContact O-N 3.48Å; T302-S304 VanDerWaalsContact C-N 3.34Å; T302-S304 PolarHBondContact O-N 3.46Å; S304-L307 PolarHBondContact O-N 2.99Å; S304-W308 WeakPolarHBondContact O-CB 3.43Å; S304-W308 PolarHBondContact O-N 2.9Å
305W95.8Very high95.5Very high64 Ų6456.6 Ų56.624%0.24227%0.274CS..Hα-helixtrans-65-41.2174.717785.1000112.4Q193 Y194 L197 L301 T302 W308 K309Q193-W305 HydrophobicContact CG-CZ2 4.32Å; Y194-W305 HydrophobicContact CD2-CH2 4.34Å; Y194-W305 HydrophobicContact CD2-CZ3 4.47Å; L197-W305 HydrophobicContact CD1-CD2 4.38Å; L197-W305 HydrophobicContact CD1-CE3 3.76Å; L197-W305 HydrophobicContact CD1-CH2 3.99Å; L197-W305 HydrophobicContact CD1-CZ3 3.54Å; L301-W305 WeakPolarHBondContact O-CB 3.27Å; L301-W305 PolarHBondContact O-N 3.19Å; T302-W305 PolarHBondContact O-N 2.98Å; W305-W308 PolarHBondContact O-N 3.23Å; W305-K309 WeakPolarHBondContact O-CB 3.34Å; W305-K309 PolarHBondContact O-N 2.87Å
306L95.6Very high95.2Very high8 Ų863.1 Ų63.14%0.04230%0.296CS..Hα-helixtrans-66.2-42.1174.9-70.9172000111.8F252 T302 Q303 K309 F310F252-L306 HydrophobicContact CZ-CB 4.26Å; T302-L306 HydrophobicContact CG2-CD1 4.29Å; T302-L306 WeakPolarHBondContact O-CG 3.34Å; T302-L306 PolarHBondContact O-N 3.11Å; Q303-L306 PolarHBondContact O-N 2.73Å; L306-K309 HydrophobicContact CD2-CD 4.48Å; L306-K309 WeakPolarHBondContact O-CB 3.17Å; L306-K309 PolarHBondContact O-N 2.94Å; L306-F310 WeakPolarHBondContact O-CB 3.44Å; L306-F310 PolarHBondContact O-N 3.03Å
307L95.7Very high94.6Very high53 Ų5364.2 Ų64.228%0.27730%0.299SS..Hα-helixtrans-60.7-42.5172.3-77.9165.1000111.5F252 R256 Q303 S304 F310 I311F252-L307 HydrophobicContact CE1-CD2 4.23Å; R256-L307 HydrophobicContact CB-CD2 4.45Å; R256-L307 HydrophobicContact CG-CD2 4.02Å; R256-L307 HydrophobicContact CG-CG 4.25Å; Q303-L307 WeakPolarHBondContact O-CB 3.27Å; Q303-L307 WeakPolarHBondContact O-CG 3.32Å; Q303-L307 PolarHBondContact O-N 3.26Å; S304-L307 PolarHBondContact O-N 2.99Å; L307-F310 WeakPolarHBondContact O-CB 3.43Å; L307-F310 PolarHBondContact O-N 3.48Å; L307-I311 WeakPolarHBondContact O-CB 3.08Å; L307-I311 VanDerWaalsContact O-CG1 3.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.5Å; L307-I311 PolarHBondContact O-N 2.98Å
308W95.7Very high94.1Very high144 Ų14466.1 Ų66.155%0.54530%0.3SS..Hα-helixtrans-64.1-40.8175.7-177.6-114000112.7S304 W305 R312S304-W308 WeakPolarHBondContact O-CB 3.43Å; S304-W308 PolarHBondContact O-N 2.9Å; W305-W308 PolarHBondContact O-N 3.23Å; W308-R312 VanDerWaalsContact NE1-CZ 3.26Å; W308-R312 WeakPolarHBondContact O-CB 3.14Å; W308-R312 WeakPolarHBondContact O-CG 3.21Å; W308-R312 PolarHBondContact O-N 2.94Å
309K93.9Very high93.7Very high80 Ų8070.7 Ų70.735%0.34831%0.314SS..Hα-helixtrans-59.8-45.7171.8-179.8-170.5170.6-161.50110.8W305 L306 F313W305-K309 WeakPolarHBondContact O-CB 3.34Å; W305-K309 PolarHBondContact O-N 2.87Å; L306-K309 HydrophobicContact CD2-CD 4.48Å; L306-K309 WeakPolarHBondContact O-CB 3.17Å; L306-K309 PolarHBondContact O-N 2.94Å; K309-F313 WeakPolarHBondContact O-CB 3.44Å; K309-F313 PolarHBondContact O-N 2.94Å
310F94.2Very high93.3Very high29 Ų2975 Ų7513%0.12733%0.334CS..Hα-helixtrans-62.2-50.1176.7170.4-94.9000112.6W248 A249 F252 V253 L306 L307 R312 F313 Q314W248-F310 AromaticContact CH2-CD2 3.66Å; W248-F310 HydrophobicContact CH2-CD2 3.66Å; W248-F310 HydrophobicContact CH2-CE2 4.17Å; W248-F310 HydrophobicContact CZ2-CD2 4.36Å; W248-F310 AromaticContact CZ3-CD2 3.95Å; W248-F310 HydrophobicContact CZ3-CD2 3.95Å; W248-F310 HydrophobicContact CZ3-CE2 4.03Å; A249-F310 HydrophobicContact CB-CE2 3.79Å; A249-F310 HydrophobicContact CB-CZ 3.93Å; F252-F310 HydrophobicContact CB-CE2 4.44Å; F252-F310 HydrophobicContact CD1-CB 4.11Å; F252-F310 HydrophobicContact CD1-CD1 4.22Å; F252-F310 AromaticContact CD1-CD2 3.37Å; F252-F310 HydrophobicContact CD1-CD2 3.37Å; F252-F310 AromaticContact CD1-CE2 3.73Å; F252-F310 HydrophobicContact CD1-CE2 3.73Å; F252-F310 AromaticContact CD1-CG 3.65Å; F252-F310 HydrophobicContact CD1-CG 3.65Å; F252-F310 HydrophobicContact CD1-CZ 4.29Å; F252-F310 HydrophobicContact CE1-CB 3.39Å; F252-F310 HydrophobicContact CE1-CD1 4.04Å; F252-F310 AromaticContact CE1-CD2 3.61Å; F252-F310 HydrophobicContact CE1-CD2 3.61Å; F252-F310 HydrophobicContact CE1-CE2 4.36Å; F252-F310 AromaticContact CE1-CG 3.41Å; F252-F310 HydrophobicContact CE1-CG 3.41Å; F252-F310 VanDerWaalsContact CE1-CG 3.41Å; F252-F310 HydrophobicContact CG-CD2 4.01Å; F252-F310 HydrophobicContact CG-CE2 4.29Å; F252-F310 HydrophobicContact CZ-CB 3.75Å; F252-F310 HydrophobicContact CZ-CD2 4.39Å; F252-F310 HydrophobicContact CZ-CG 4.23Å; V253-F310 HydrophobicContact CG2-CE1 4.01Å; V253-F310 HydrophobicContact CG2-CZ 3.95Å; L306-F310 WeakPolarHBondContact O-CB 3.44Å; L306-F310 PolarHBondContact O-N 3.03Å; L307-F310 WeakPolarHBondContact O-CB 3.43Å; L307-F310 PolarHBondContact O-N 3.48Å; F310-R312 VanDerWaalsContact C-N 3.34Å; F310-R312 PolarHBondContact O-N 3.47Å; F310-F313 WeakPolarHBondContact O-CA 2.97Å; F310-F313 WeakPolarHBondContact O-CB 3.47Å; F310-F313 PolarHBondContact O-N 2.56Å; F310-F313 VanDerWaalsContact O-N 3.08Å; F310-Q314 HydrophobicContact CD1-CG 4.35Å; F310-Q314 HydrophobicContact CD2-CG 4.28Å; F310-Q314 HydrophobicContact CE1-CG 3.97Å; F310-Q314 HydrophobicContact CE2-CG 3.9Å; F310-Q314 VanDerWaalsContact CE2-NE2 3.3Å; F310-Q314 HydrophobicContact CG-CG 4.49Å; F310-Q314 HydrophobicContact CZ-CG 3.73Å; F310-Q314 WeakPolarHBondContact O-CG 3.42Å; F310-Q314 PolarHBondContact O-N 3.24Å
311I93.9Very high92.7Very high77 Ų7778.9 Ų78.940%0.39535%0.347SS..Hα-helixtrans-58.8-46.1178.3-69.2164.8000110.2L307 F313 Q314 L315L307-I311 WeakPolarHBondContact O-CB 3.08Å; L307-I311 VanDerWaalsContact O-CG1 3.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.5Å; L307-I311 PolarHBondContact O-N 2.98Å; I311-F313 VanDerWaalsContact C-N 3.29Å; I311-F313 PolarHBondContact O-N 3.1Å; I311-Q314 PolarHBondContact O-N 2.76Å; I311-L315 HydrophobicContact CG2-CD1 3.67Å; I311-L315 HydrophobicContact CG2-CG 4.14Å; I311-L315 VanDerWaalsContact O-CB 3.32Å; I311-L315 WeakPolarHBondContact O-CB 3.29Å; I311-L315 VanDerWaalsContact O-CG 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 3.46Å
312R94.3Very high92.3Very high135 Ų13579.7 Ų79.751%0.50934%0.343SS..Hα-helixtrans-63.4-33.2176.6-71.2-167-62.4-175.9-0.4113.1W308 F310 R316W308-R312 VanDerWaalsContact NE1-CZ 3.26Å; W308-R312 WeakPolarHBondContact O-CB 3.14Å; W308-R312 WeakPolarHBondContact O-CG 3.21Å; W308-R312 PolarHBondContact O-N 2.94Å; F310-R312 VanDerWaalsContact C-N 3.34Å; F310-R312 PolarHBondContact O-N 3.47Å; R312-R316 WeakPolarHBondContact O-CB 3.03Å; R312-R316 PolarHBondContact O-N 3.05Å; R312-R316 VanDerWaalsContact O-N 3.15Å
313F91.6Very high91.9Very high63 Ų6385.5 Ų85.528%0.27637%0.369SS..Hα-helixtrans-67.5-50.6173.2175.9-98.3000111.6F228 F245 W248 K309 F310 I311 L315 R316 R317F228-F313 HydrophobicContact CE2-CE2 4.39Å; F228-F313 HydrophobicContact CE2-CZ 4.24Å; F245-F313 HydrophobicContact CD1-CE1 4.16Å; F245-F313 AromaticContact CD1-CZ 3.94Å; F245-F313 HydrophobicContact CD1-CZ 3.94Å; F245-F313 AromaticContact CE1-CZ 3.92Å; F245-F313 HydrophobicContact CE1-CZ 3.92Å; F245-F313 HydrophobicContact CG-CZ 4.38Å; F245-F313 HydrophobicContact CZ-CZ 4.32Å; W248-F313 HydrophobicContact CH2-CD1 4.45Å; W248-F313 AromaticContact CZ3-CD1 3.96Å; W248-F313 HydrophobicContact CZ3-CD1 3.96Å; W248-F313 AromaticContact CZ3-CE1 3.84Å; W248-F313 HydrophobicContact CZ3-CE1 3.84Å; K309-F313 WeakPolarHBondContact O-CB 3.44Å; K309-F313 PolarHBondContact O-N 2.94Å; F310-F313 WeakPolarHBondContact O-CA 2.97Å; F310-F313 WeakPolarHBondContact O-CB 3.47Å; F310-F313 PolarHBondContact O-N 2.56Å; F310-F313 VanDerWaalsContact O-N 3.08Å; I311-F313 VanDerWaalsContact C-N 3.29Å; I311-F313 PolarHBondContact O-N 3.1Å; F313-L315 PolarHBondContact O-N 2.91Å; F313-R316 WeakPolarHBondContact O-CB 3.49Å; F313-R316 PolarHBondContact O-N 2.89Å; F313-R316 VanDerWaalsContact O-N 3.13Å; F313-R317 PolarHBondContact O-N 3.37Å
314Q91.2Very high91.4Very high41 Ų4189 Ų8919%0.19239%0.385CS..Hα-helixtrans-64.4-41179-62.5-61-1.900112.4F310 I311 R316 R317 W318F310-Q314 HydrophobicContact CD1-CG 4.35Å; F310-Q314 HydrophobicContact CD2-CG 4.28Å; F310-Q314 HydrophobicContact CE1-CG 3.97Å; F310-Q314 HydrophobicContact CE2-CG 3.9Å; F310-Q314 VanDerWaalsContact CE2-NE2 3.3Å; F310-Q314 HydrophobicContact CG-CG 4.49Å; F310-Q314 HydrophobicContact CZ-CG 3.73Å; F310-Q314 WeakPolarHBondContact O-CG 3.42Å; F310-Q314 PolarHBondContact O-N 3.24Å; I311-Q314 PolarHBondContact O-N 2.76Å; Q314-R316 VanDerWaalsContact C-N 3.26Å; Q314-R316 PolarHBondContact O-N 3.29Å; Q314-R317 PolarHBondContact O-N 3.22Å; Q314-W318 WeakPolarHBondContact O-CB 3.22Å; Q314-W318 PolarHBondContact O-N 2.8Å
315L91.2Very high91Very high82 Ų8289.8 Ų89.843%0.42938%0.381SS..Hα-helixtrans-64.9-27174.2-71.3176000113.2I311 F313 W318 R319I311-L315 HydrophobicContact CG2-CD1 3.67Å; I311-L315 HydrophobicContact CG2-CG 4.14Å; I311-L315 VanDerWaalsContact O-CB 3.32Å; I311-L315 WeakPolarHBondContact O-CB 3.29Å; I311-L315 VanDerWaalsContact O-CG 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 3.46Å; F313-L315 PolarHBondContact O-N 2.91Å; L315-W318 HydrophobicContact CD2-CE3 4.39Å; L315-R319 WeakPolarHBondContact O-CG 3.14Å; L315-R319 PolarHBondContact O-N 3.34Å; L315-R319 PolarHBondContact O-NE 3.29Å
316R91.2Very high90.7Very high153 Ų15388.8 Ų88.858%0.57739%0.386SS*.Hα-helixtrans-71.7-54.7170.5179.8179.7-63.8-168.7-1.7110.1R312 F313 Q314 W318 R319 E320R312-R316 WeakPolarHBondContact O-CB 3.03Å; R312-R316 PolarHBondContact O-N 3.05Å; R312-R316 VanDerWaalsContact O-N 3.15Å; F313-R316 WeakPolarHBondContact O-CB 3.49Å; F313-R316 PolarHBondContact O-N 2.89Å; F313-R316 VanDerWaalsContact O-N 3.13Å; Q314-R316 VanDerWaalsContact C-N 3.26Å; Q314-R316 PolarHBondContact O-N 3.29Å; R316-W318 VanDerWaalsContact C-N 3.32Å; R316-W318 PolarHBondContact O-N 3.39Å; R316-R319 WeakPolarHBondContact O-CB 3.48Å; R316-R319 PolarHBondContact O-N 2.86Å; R316-E320 WeakPolarHBondContact CD-OE1 3.3Å; R316-E320 HydrophobicContact CG-CG 4.48Å; R316-E320 WeakPolarHBondContact CG-OE1 3.21Å; R316-E320 WeakPolarHBondContact O-CG 3.48Å; R316-E320 PolarHBondContact O-N 2.75Å
317R86.1Confident90.3Very high35 Ų3591.5 Ų91.513%0.13241%0.406CS..Hα-helixtrans-58.1-40.4-179.4-175.7167.5167.1-107.7-4.3112.8Q242 D246 F313 Q314 R319 E320 F321Q242-R317 PolarHBondContact O-NH2 3.26Å; D246-R317 VanDerWaalsContact CG-NH2 3.29Å; D246-R317 IonicContact OD1-CZ 3.37Å; D246-R317 VanDerWaalsContact OD1-CZ 3.25Å; D246-R317 IonicContact OD1-NH1 3.41Å; D246-R317 PolarHBondContact OD1-NH1 3.43Å; D246-R317 IonicContact OD1-NH2 3.22Å; D246-R317 PolarHBondContact OD1-NH2 3.42Å; D246-R317 IonicContact OD2-NH2 3.71Å; D246-R317 PolarHBondContact OD2-NH2 2.8Å; F313-R317 PolarHBondContact O-N 3.37Å; Q314-R317 PolarHBondContact O-N 3.22Å; R317-R319 PolarHBondContact O-N 2.97Å; R317-E320 PolarHBondContact O-N 3.33Å; R317-F321 WeakPolarHBondContact O-CB 3.3Å; R317-F321 PolarHBondContact O-N 3.25Å
318W86.4Confident90Very high145 Ų14597 Ų9755%0.54942%0.423SS..Hα-helixtrans-69.5-30176-17426.5000113.4Q314 L315 R316 R322Q314-W318 WeakPolarHBondContact O-CB 3.22Å; Q314-W318 PolarHBondContact O-N 2.8Å; L315-W318 HydrophobicContact CD2-CE3 4.39Å; R316-W318 VanDerWaalsContact C-N 3.32Å; R316-W318 PolarHBondContact O-N 3.39Å; W318-R322 WeakPolarHBondContact O-CB 3.29Å; W318-R322 WeakPolarHBondContact O-CG 3.34Å; W318-R322 PolarHBondContact O-N 3.08Å; W318-R322 VanDerWaalsContact O-N 3.12Å; W318-R322 PolarHBondContact O-NE 3.15Å
319R90.3Very high89.7Confident133 Ų13397.3 Ų97.350%0.50243%0.429SS..Hα-helixtrans-69.9-48.1170.4-78.1-179-68167.7-0.7110.9L315 R316 R317 F321 R322 H323L315-R319 WeakPolarHBondContact O-CG 3.14Å; L315-R319 PolarHBondContact O-N 3.34Å; L315-R319 PolarHBondContact O-NE 3.29Å; R316-R319 WeakPolarHBondContact O-CB 3.48Å; R316-R319 PolarHBondContact O-N 2.86Å; R317-R319 PolarHBondContact O-N 2.97Å; R319-F321 PolarHBondContact O-N 3.26Å; R319-R322 PolarHBondContact O-N 3.42Å; R319-H323 PolarHBondContact O-CD2 3.34Å; R319-H323 PolarHBondContact O-N 3.4Å
320E88.3Confident89.4Confident100 Ų100102.6 Ų102.647%0.46745%0.446SS..Hα-helixtrans-55.3-50.2177.1-70.8162.3176.900110.8R316 R317 R322 H323 E324R316-E320 WeakPolarHBondContact CD-OE1 3.3Å; R316-E320 HydrophobicContact CG-CG 4.48Å; R316-E320 WeakPolarHBondContact CG-OE1 3.21Å; R316-E320 WeakPolarHBondContact O-CG 3.48Å; R316-E320 PolarHBondContact O-N 2.75Å; R317-E320 PolarHBondContact O-N 3.33Å; E320-R322 PolarHBondContact O-N 3.39Å; E320-H323 PolarHBondContact O-N 3.14Å; E320-H323 VanDerWaalsContact O-N 3.13Å; E320-E324 PolarHBondContact O-N 3.26Å
321F85.5Confident89.1Confident112 Ų112103.9 Ų103.949%0.49146%0.462SS..Hα-helixtrans-59.4-41.5175.5-176.2-106.4000113.6R317 R319 E324 Q325R317-F321 WeakPolarHBondContact O-CB 3.3Å; R317-F321 PolarHBondContact O-N 3.25Å; R319-F321 PolarHBondContact O-N 3.26Å; F321-E324 PolarHBondContact O-N 2.9Å; F321-Q325 HydrophobicContact CE1-CG 4.23Å; F321-Q325 HydrophobicContact CZ-CG 4.3Å; F321-Q325 WeakPolarHBondContact O-CG 3.41Å; F321-Q325 PolarHBondContact O-N 2.85Å
322R87.3Confident88.8Confident122 Ų122103.2 Ų103.246%0.4647%0.468SS..Hα-helixtrans-66.4-37.1174.9-78.8-171.6-70.5174.9-3.5112.4W318 R319 E320 Q325 A326W318-R322 WeakPolarHBondContact O-CB 3.29Å; W318-R322 WeakPolarHBondContact O-CG 3.34Å; W318-R322 PolarHBondContact O-N 3.08Å; W318-R322 VanDerWaalsContact O-N 3.12Å; W318-R322 PolarHBondContact O-NE 3.15Å; R319-R322 PolarHBondContact O-N 3.42Å; E320-R322 PolarHBondContact O-N 3.39Å; R322-Q325 PolarHBondContact O-N 3.3Å; R322-A326 VanDerWaalsContact O-CB 3.31Å; R322-A326 WeakPolarHBondContact O-CB 3.08Å; R322-A326 PolarHBondContact O-N 2.97Å
323H88.3Confident88.2Confident138 Ų138101 Ų10164%0.63948%0.479SS*.Hα-helixtrans-66.2-41174.3-75.7-64.6000111.9R319 E320 A326 S327R319-H323 PolarHBondContact O-CD2 3.34Å; R319-H323 PolarHBondContact O-N 3.4Å; E320-H323 PolarHBondContact O-N 3.14Å; E320-H323 VanDerWaalsContact O-N 3.13Å; H323-A326 PolarHBondContact O-N 3.42Å; H323-S327 WeakPolarHBondContact O-CB 3.43Å; H323-S327 PolarHBondContact O-N 3.16Å; H323-S327 PolarHBondContact O-OG 3.39Å
324E86.9Confident87.7Confident85 Ų85106.5 Ų106.540%0.39750%0.502SS..Hα-helixtrans-63.9-43.9173.1-76.9-173.5-142.800113E320 F321 A326 S327 R328E320-E324 PolarHBondContact O-N 3.26Å; F321-E324 PolarHBondContact O-N 2.9Å; E324-A326 VanDerWaalsContact C-N 3.31Å; E324-A326 PolarHBondContact O-N 3.01Å; E324-S327 PolarHBondContact O-N 2.91Å; E324-S327 PolarHBondContact O-OG 3.09Å; E324-R328 WeakPolarHBondContact O-CB 3.21Å; E324-R328 VanDerWaalsContact O-CG 3.23Å; E324-R328 WeakPolarHBondContact O-CG 3.33Å; E324-R328 PolarHBondContact O-N 2.92Å; E324-R328 IonicContact OE2-CZ 3.98Å; E324-R328 IonicContact OE2-NH2 3.53Å; E324-R328 PolarHBondContact OE2-NH2 3.34Å
325Q86.8Confident86.7Confident86 Ų86112 Ų11240%0.40253%0.528SS..Hα-helixtrans-63-40.2175.1-74.9-165.8-14.200111.7F321 R322 K329F321-Q325 HydrophobicContact CE1-CG 4.23Å; F321-Q325 HydrophobicContact CZ-CG 4.3Å; F321-Q325 WeakPolarHBondContact O-CG 3.41Å; F321-Q325 PolarHBondContact O-N 2.85Å; R322-Q325 PolarHBondContact O-N 3.3Å; Q325-K329 WeakPolarHBondContact O-CB 3.4Å; Q325-K329 WeakPolarHBondContact O-CG 3.25Å; Q325-K329 PolarHBondContact O-N 3.4Å
326A89.6Confident85.5Confident43 Ų43114.2 Ų114.236%0.35555%0.545SS..Hα-helixtrans-66-39.8176.600000112.3R322 H323 E324 R330R322-A326 VanDerWaalsContact O-CB 3.31Å; R322-A326 WeakPolarHBondContact O-CB 3.08Å; R322-A326 PolarHBondContact O-N 2.97Å; H323-A326 PolarHBondContact O-N 3.42Å; E324-A326 VanDerWaalsContact C-N 3.31Å; E324-A326 PolarHBondContact O-N 3.01Å; A326-R330 WeakPolarHBondContact O-CB 3.43Å; A326-R330 VanDerWaalsContact O-CG 3.26Å; A326-R330 WeakPolarHBondContact O-CG 3.23Å; A326-R330 PolarHBondContact O-N 2.81Å
327S88.6Confident83.9Confident66 Ų66112.4 Ų112.446%0.46255%0.554SS.*Hα-helixtrans-68.8-42.8176.669.90000111.7H323 E324 R330 A331H323-S327 WeakPolarHBondContact O-CB 3.43Å; H323-S327 PolarHBondContact O-N 3.16Å; H323-S327 PolarHBondContact O-OG 3.39Å; E324-S327 PolarHBondContact O-N 2.91Å; E324-S327 PolarHBondContact O-OG 3.09Å; S327-R330 PolarHBondContact O-N 3.49Å; S327-A331 WeakPolarHBondContact O-CB 3.32Å; S327-A331 PolarHBondContact O-N 2.86Å
328R88.1Confident82.4Confident167 Ų167122 Ų12263%0.6359%0.59SS**Hα-helixtrans-60.5-45.2174.1-69.1175.8-160.4-155.89.3111.9E324 R330 A331 A332E324-R328 WeakPolarHBondContact O-CB 3.21Å; E324-R328 VanDerWaalsContact O-CG 3.23Å; E324-R328 WeakPolarHBondContact O-CG 3.33Å; E324-R328 PolarHBondContact O-N 2.92Å; E324-R328 IonicContact OE2-CZ 3.98Å; E324-R328 IonicContact OE2-NH2 3.53Å; E324-R328 PolarHBondContact OE2-NH2 3.34Å; R328-R330 PolarHBondContact O-N 3.11Å; R328-A331 PolarHBondContact O-N 3.3Å; R328-A332 PolarHBondContact O-N 2.89Å
329K89.1Confident80.5Confident152 Ų152121.2 Ų121.266%0.66160%0.603SS**Hα-helixtrans-61.5-42.8174.7-75.6-179.1179-173.90112.2Q325 A331 A332 A333Q325-K329 WeakPolarHBondContact O-CB 3.4Å; Q325-K329 WeakPolarHBondContact O-CG 3.25Å; Q325-K329 PolarHBondContact O-N 3.4Å; K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 3.43Å; K329-A332 PolarHBondContact O-N 3.09Å; K329-A333 WeakPolarHBondContact O-CB 3.24Å; K329-A333 PolarHBondContact O-N 3.46Å
330R89.1Confident78.6Confident190 Ų190123 Ų12372%0.71762%0.622SS**Hα-helixtrans-65.2-34175.1-75.2172.8176.7-172.1-1.2113A326 S327 R328 K334A326-R330 WeakPolarHBondContact O-CB 3.43Å; A326-R330 VanDerWaalsContact O-CG 3.26Å; A326-R330 WeakPolarHBondContact O-CG 3.23Å; A326-R330 PolarHBondContact O-N 2.81Å; S327-R330 PolarHBondContact O-N 3.49Å; R328-R330 PolarHBondContact O-N 3.11Å; R330-K334 WeakPolarHBondContact O-CG 3.01Å; R330-K334 PolarHBondContact O-N 3.45Å
331A87.8Confident76.4Confident56 Ų56126.8 Ų126.846%0.46364%0.637SS.*Hα-helixtrans-70.9-44.7175.500000111.7S327 R328 K329 A333 K334 Q335S327-A331 WeakPolarHBondContact O-CB 3.32Å; S327-A331 PolarHBondContact O-N 2.86Å; R328-A331 PolarHBondContact O-N 3.3Å; K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 3.43Å; A331-A333 PolarHBondContact O-N 2.89Å; A331-K334 PolarHBondContact O-N 2.88Å; A331-K334 VanDerWaalsContact O-N 3.15Å; A331-Q335 PolarHBondContact O-N 3.41Å
332A86.2Confident74.5Confident63 Ų63132.7 Ų132.752%0.52166%0.656SS.*Hα-helixtrans-61.3-42.9175.100000112R328 K329 K334 Q335R328-A332 PolarHBondContact O-N 2.89Å; K329-A332 PolarHBondContact O-N 3.09Å; A332-K334 PolarHBondContact O-N 3.03Å; A332-Q335 PolarHBondContact O-N 3.24Å
333A83.7Confident72.3Confident88 Ų88133.1 Ų133.173%0.72767%0.667SS**THydrogen-bonded Turntrans-65.1-17.7176.600000114.3K329 A331K329-A333 WeakPolarHBondContact O-CB 3.24Å; K329-A333 PolarHBondContact O-N 3.46Å; A331-A333 PolarHBondContact O-N 2.89Å
334K80.5Confident69.9Low179 Ų179132.1 Ų132.178%0.77868%0.676SS**THydrogen-bonded Turntrans-88.7-9173.3-75-177.1176.7-1670113.6R330 A331 A332 T336R330-K334 WeakPolarHBondContact O-CG 3.01Å; R330-K334 PolarHBondContact O-N 3.45Å; A331-K334 PolarHBondContact O-N 2.88Å; A331-K334 VanDerWaalsContact O-N 3.15Å; A332-K334 PolarHBondContact O-N 3.03Å; K334-T336 PolarHBondContact O-N 2.63Å
335Q70.4Confident67.6Low157 Ų157136.7 Ų136.773%0.73470%0.702SS**SBendtrans-88.293.8171.1-67.5-176.4-5.400108.6A331 A332A331-Q335 PolarHBondContact O-N 3.41Å; A332-Q335 PolarHBondContact O-N 3.24Å
336T64.9Low65Low128 Ų128136.1 Ų136.179%0.78572%0.72SS**PPolyproline II helixtrans-55.6133.4171.10.70000109.7K334 R338K334-T336 PolarHBondContact O-N 2.63Å; T336-R338 PolarHBondContact O-N 2.99Å
337P58.2Low62.2Low116 Ų116141.7 Ų141.775%0.75374%0.738SS**PPolyproline II helixtrans-61.2127.9173.625.6-32.9000108.9
338R54.2Low59.5Low237 Ų237145.7 Ų145.789%0.89475%0.749SS**PPolyproline II helixtrans-58.1127.5171-76.3-178.9172.9177.9-2.9107.8T336 L340T336-R338 PolarHBondContact O-N 2.99Å; R338-L340 PolarHBondContact O-N 3.09Å
339P47.8Very low56.8Low128 Ų128144.3 Ų144.383%0.83175%0.75SS**PPolyproline II helixtrans-62.9123176.125.4-32.4000108.9K341P339-K341 PolarHBondContact O-N 2.94Å; P339-K341 VanDerWaalsContact O-N 3.15Å
340L48.7Very low54.2Low171 Ų171144 Ų14490%0.89576%0.755SS**  trans-60.2115.5168.8-89.5149.9000107.9R338 R342R338-L340 PolarHBondContact O-N 3.09Å; L340-R342 PolarHBondContact O-N 2.7Å
341K42.5Very low51.4Low179 Ų179138.3 Ų138.378%0.77876%0.755SS**  trans-62.2111.5170.9-127.2-169.6177.3-161.20107.4P339 D343P339-K341 PolarHBondContact O-N 2.94Å; P339-K341 VanDerWaalsContact O-N 3.15Å; K341-D343 VanDerWaalsContact C-N 3.34Å; K341-D343 PolarHBondContact O-N 3.06Å; K341-D343 VanDerWaalsContact O-N 3.15Å
342R46.9Very low48.7Very low235 Ų235142.8 Ų142.889%0.88778%0.777SS**  trans-82.883.7175.9-174.8179.8-173.9168.41.3107.5L340L340-R342 PolarHBondContact O-N 2.7Å
343D40.6Very low46.4Very low131 Ų131147.3 Ų147.370%0.70179%0.79SS**PPolyproline II helixtrans-71.3135.9174-70.5-24.1000109.6K341K341-D343 VanDerWaalsContact C-N 3.34Å; K341-D343 PolarHBondContact O-N 3.06Å; K341-D343 VanDerWaalsContact O-N 3.15Å
344S37.2Very low44Very low117 Ų117152.4 Ų152.482%0.81880%0.796SS**PPolyproline II helixtrans-83.9162.2-165.2-60.60000113.8
345L39Very low41.7Very low181 Ų181148.2 Ų148.295%0.94880%0.795SS**PPolyproline II helixtrans-60150-179.6-95.571000115.5
346G32Very low39.8Very low75 Ų75150 Ų15077%0.77380%0.803SS**  trans120.4148.3150.100000114.6
347H30.2Very low38.4Very low160 Ų160152 Ų15274%0.74181%0.809SS**  cis-165.4171.4-22.1-166.254.1000107.2
348H32.4Very low37.3Very low149 Ų149150.2 Ų150.269%0.6981%0.812SS**  trans68.2155.1177.7-57.1-73.1000118.6
349E31.6Very low36.2Very low139 Ų139144 Ų14465%0.6581%0.811SS**  cis-165.6146-48-121.8-177.2121.900110.3
350N33.8Very low35.7Very low146 Ų146143.2 Ų143.278%0.78181%0.809SS**  trans23.6130.3150.9-59.8-34000122
351G31.8Very low35.7Very low69 Ų69140.2 Ų140.271%0.71180%0.799SS**  trans155.8109136.600000120.8
352V31.2Very low35.6Very low151 Ų151143.1 Ų143.192%0.91581%0.805SS**  trans78.5141.8141.5-171.70000119.9
353I36.6Very low36Very low157 Ų157137.3 Ų137.381%0.80580%0.798SS**  trans-113.9141.1-175.6-61.6160.2000108.4
354K33.2Very low35.7Very low196 Ų196141.2 Ų141.285%0.85281%0.809SS**  155.4134.4117.1-150.3168.9-172.3-177.40114.6
355A33Very low36Very low91 Ų91144.7 Ų144.775%0.75281%0.809SS**  trans6.5141158.200000122.6
356E31.1Very low36.1Very low194 Ų194142.7 Ų142.791%0.90780%0.798SS**  -155.8160.1100.5-127.7179.417400113.8
357N34.4Very low36.2Very low171 Ų171148.4 Ų148.491%0.91480%0.802SS**  trans-93.2136.2-179.4-77-47.5000111.4
358G34.1Very low36.3Very low78 Ų78144.6 Ų144.680%0.80480%0.797SS**  trans-140.3131.5176.600000112.7
359A33.1Very low37.5Very low106 Ų106147.1 Ų147.188%0.87683%0.827SS**  trans-59.9158-163.300000119
360S36.4Very low37.8Very low112 Ų112147.6 Ų147.678%0.78384%0.836SS**  trans-65.4177160.3-140.40000111.7
361P49.5Very low38Very low108 Ų108147.6 Ų147.670%0.70184%0.839SS**  cis-150.2159.711.644.6-23.6000120.5
362R38.5Very low38.3Very low240 Ų240152 Ų15291%0.90685%0.846SS**  trans72.9171.4139.6-102.7-171.7-178-179.93.1121.4
363P55.3Low38.8Very low112 Ų112152.1 Ų152.173%0.72784%0.842SS**  -127.3173.1-120.144.6-29.2000116.1
364K36.1Very low38.9Very low213 Ų213151.8 Ų151.893%0.92684%0.844SS**  trans-140.6137.1161.2-94.3-178.5-175.4171.10116.3
365K41.9Very low39.3Very low191 Ų191148.8 Ų148.883%0.8384%0.844SS**  trans-80.3169165.2-136.3177.7-173.9177.20108
366I40.9Very low39.7Very low138 Ų138152.9 Ų152.971%0.70885%0.85SS**  cis-152.3169.318.8-26.3155.5000106.3
367K34.8Very low40.4Very low196 Ų196149.8 Ų149.885%0.85285%0.846SS**  177.5152.192.6-94.9-171.1177.1178.40113.6
368A31.7Very low40.9Very low79 Ų79148 Ų14865%0.65384%0.84SS**  trans-87.5-176.8162.200000110.2
369P58.1Low41.5Very low203 Ų203154.4 Ų154.4100%1.31884%0.844SS**  -104.4061.2-9.429.3000115.5

Retrieved 369 of 369 residues in 105.6 ms (Link to these results)