A0A077YUW2_TRITR Loading...

Guanine nucleotide-binding protein subunit alpha

Guanine nucleotide-binding proteins (G proteins) are involved as modulators or transducers in various transmembrane signaling systems.

AlphaFold DB , UniProt , Accession A0A077YUW2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 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
1M40.1Very low72.1Confident237 Ų237117.2 Ų117.2100%1.16763%0.631SS**  092.70-144.7179.4-11500106.9C3M1-C3 PolarHBondContact O-N 3.1Å; M1-C3 VanDerWaalsContact O-N 3.1Å
2T49.3Very low73.5Confident131 Ų131118.1 Ų118.180%0.80463%0.628SS**  trans-69102.417823.60000107.9C4T2-C4 PolarHBondContact O-N 2.78Å
3C54.1Low74.8Confident124 Ų124120.7 Ų120.784%0.83862%0.624SS**  trans-64.384.3171.9-82.70000109.3M1 S5M1-C3 PolarHBondContact O-N 3.1Å; M1-C3 VanDerWaalsContact O-N 3.1Å; C3-S5 VanDerWaalsContact C-N 3.26Å; C3-S5 PolarHBondContact O-N 3.36Å
4C61Low76Confident104 Ų104123.2 Ų123.270%0.70362%0.621SS**  trans-65.493.1164.8-69.50000107.1T2 S6T2-C4 PolarHBondContact O-N 2.78Å; C4-S6 PolarHBondContact O-N 2.9Å
5S67.8Low77Confident36 Ų36120.2 Ų120.225%0.25261%0.606SS.*  trans-50.8131.6162.730.50000108.3C3 R10C3-S5 VanDerWaalsContact C-N 3.26Å; C3-S5 PolarHBondContact O-N 3.36Å; S5-R10 PolarHBondContact OG-NE 3.36Å
6S81.8Confident77.9Confident67 Ų67118.6 Ų118.647%0.46960%0.6SS.*  trans-54.5152.2171.457.10000109.8C4 E8 A9 R10C4-S6 PolarHBondContact O-N 2.9Å; S6-E8 PolarHBondContact O-N 3.11Å; S6-A9 PolarHBondContact O-N 3.4Å; S6-A9 WeakPolarHBondContact OG-CB 3.25Å; S6-A9 PolarHBondContact OG-N 2.95Å; S6-R10 PolarHBondContact O-N 3.2Å; S6-R10 VanDerWaalsContact O-N 3.11Å
7E86.1Confident78.8Confident173 Ų173121.5 Ų121.581%0.80860%0.602SS**Hα-helixtrans-50.5-40.7174.8-121173.3170.900111.2A9 R10 E11E7-A9 PolarHBondContact O-N 2.94Å; E7-R10 PolarHBondContact O-N 3.19Å; E7-E11 PolarHBondContact O-N 3.44Å
8E86.1Confident79.6Confident149 Ų149121.3 Ų121.370%0.69660%0.599SS**Hα-helixtrans-57.5-44.9173.6-63.6176.116800113.1S6 R10 E11 Q12S6-E8 PolarHBondContact O-N 3.11Å; E8-R10 VanDerWaalsContact C-N 3.31Å; E8-R10 PolarHBondContact O-N 2.85Å; E8-E11 PolarHBondContact O-N 3.43Å; E8-Q12 WeakPolarHBondContact O-CB 3.5Å; E8-Q12 WeakPolarHBondContact O-CG 3.39Å; E8-Q12 PolarHBondContact O-N 3.25Å
9A88.5Confident80.1Confident24 Ų24119.1 Ų119.120%0.19859%0.589CS.*Hα-helixtrans-69.1-29.6179.100000112.4S6 E7 R13S6-A9 PolarHBondContact O-N 3.4Å; S6-A9 WeakPolarHBondContact OG-CB 3.25Å; S6-A9 PolarHBondContact OG-N 2.95Å; E7-A9 PolarHBondContact O-N 2.94Å; A9-R13 VanDerWaalsContact O-CG 3.25Å; A9-R13 WeakPolarHBondContact O-CG 3.44Å; A9-R13 PolarHBondContact O-N 3.3Å
10R88.2Confident80.6Confident154 Ų154119.5 Ų119.558%0.58159%0.589SS**Hα-helixtrans-71.3-42.5172.9-67.6-179.6-179.5179.8-0.8110.9S5 S6 E7 E8 R13 R14S5-R10 PolarHBondContact OG-NE 3.36Å; S6-R10 PolarHBondContact O-N 3.2Å; S6-R10 VanDerWaalsContact O-N 3.11Å; E7-R10 PolarHBondContact O-N 3.19Å; E8-R10 VanDerWaalsContact C-N 3.31Å; E8-R10 PolarHBondContact O-N 2.85Å; R10-R13 PolarHBondContact O-N 3.3Å; R10-R14 PolarHBondContact O-N 3.01Å
11E90.7Very high81Confident90 Ų90120.4 Ų120.442%0.42159%0.59SS.*Hα-helixtrans-67.4-43.3178.5-170.258.6-164.100111.7E7 E8 R13 R14 I15E7-E11 PolarHBondContact O-N 3.44Å; E8-E11 PolarHBondContact O-N 3.43Å; E11-R13 VanDerWaalsContact C-N 3.32Å; E11-R13 PolarHBondContact O-N 3.24Å; E11-R14 WeakPolarHBondContact O-CA 3.36Å; E11-R14 WeakPolarHBondContact O-CB 3.5Å; E11-R14 PolarHBondContact O-N 3Å; E11-I15 HydrophobicContact CG-CD1 4.05Å; E11-I15 WeakPolarHBondContact O-CG1 3.45Å; E11-I15 PolarHBondContact O-N 2.87Å
12Q88.9Confident83.2Confident128 Ų128114.8 Ų114.860%0.59856%0.561SS**Hα-helixtrans-57.5-42.1172.7-78.5-179.4-16.400112.6E8 R14 I15 N16E8-Q12 WeakPolarHBondContact O-CB 3.5Å; E8-Q12 WeakPolarHBondContact O-CG 3.39Å; E8-Q12 PolarHBondContact O-N 3.25Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 2.87Å; Q12-I15 PolarHBondContact O-N 3.48Å; Q12-N16 WeakPolarHBondContact O-CB 3.2Å; Q12-N16 PolarHBondContact O-N 3.08Å
13R89.7Confident84.8Confident152 Ų152113 Ų11357%0.57455%0.546SS*.Hα-helixtrans-66.4-34.5175.8-74.1173.9-170.3-171.72.5112.2A9 R10 E11 R17A9-R13 VanDerWaalsContact O-CG 3.25Å; A9-R13 WeakPolarHBondContact O-CG 3.44Å; A9-R13 PolarHBondContact O-N 3.3Å; R10-R13 PolarHBondContact O-N 3.3Å; E11-R13 VanDerWaalsContact C-N 3.32Å; E11-R13 PolarHBondContact O-N 3.24Å; R13-R17 WeakPolarHBondContact O-CB 3.34Å; R13-R17 WeakPolarHBondContact O-CD 3.41Å; R13-R17 WeakPolarHBondContact O-CG 3.45Å; R13-R17 PolarHBondContact O-N 3.49Å; R13-R17 VanDerWaalsContact O-N 3.1Å
14R92.1Very high86.1Confident156 Ų156114.1 Ų114.159%0.58954%0.539SS*.Hα-helixtrans-66.1-50.9175.2-177.8-172.8173.4176.4-1.3110.4R10 E11 Q12 N16 R17 E18R10-R14 PolarHBondContact O-N 3.01Å; E11-R14 WeakPolarHBondContact O-CA 3.36Å; E11-R14 WeakPolarHBondContact O-CB 3.5Å; E11-R14 PolarHBondContact O-N 3Å; Q12-R14 VanDerWaalsContact C-N 3.32Å; Q12-R14 PolarHBondContact O-N 2.87Å; R14-N16 PolarHBondContact O-N 3.46Å; R14-R17 PolarHBondContact O-N 3.05Å; R14-E18 PolarHBondContact O-N 3.33Å
15I90.7Very high86.8Confident78 Ų78117.7 Ų117.740%0.454%0.538SS..Hα-helixtrans-58-49177.3-66.4168000110.5E11 Q12 R17 E18 I19E11-I15 HydrophobicContact CG-CD1 4.05Å; E11-I15 WeakPolarHBondContact O-CG1 3.45Å; E11-I15 PolarHBondContact O-N 2.87Å; Q12-I15 PolarHBondContact O-N 3.48Å; I15-R17 VanDerWaalsContact C-N 3.34Å; I15-R17 PolarHBondContact O-N 3.1Å; I15-E18 WeakPolarHBondContact O-CB 3.46Å; I15-E18 PolarHBondContact O-N 3.36Å; I15-E18 VanDerWaalsContact O-N 3.08Å; I15-I19 HydrophobicContact CG2-CD1 3.7Å; I15-I19 HydrophobicContact CG2-CG1 4.3Å; I15-I19 WeakPolarHBondContact O-CG1 3.33Å; I15-I19 PolarHBondContact O-N 3.45Å
16N92.1Very high87.3Confident94 Ų94119.8 Ų119.850%0.50355%0.546SS..Hα-helixtrans-60.1-41.4178.5-78.7-6.8000112.7Q12 R14 E18 I19 E20Q12-N16 WeakPolarHBondContact O-CB 3.2Å; Q12-N16 PolarHBondContact O-N 3.08Å; R14-N16 PolarHBondContact O-N 3.46Å; N16-E18 VanDerWaalsContact C-N 3.3Å; N16-E18 PolarHBondContact O-N 3.4Å; N16-I19 PolarHBondContact O-N 2.86Å; N16-E20 WeakPolarHBondContact O-CB 3.4Å; N16-E20 WeakPolarHBondContact O-CG 3.37Å; N16-E20 PolarHBondContact O-N 3.06Å
17R92.3Very high86.8Confident168 Ų168123.7 Ų123.763%0.63456%0.555SS**Hα-helixtrans-65.6-33.9175.6-75.9171.3179.3-176.9-0.9112.4R13 R14 I15 K21R13-R17 WeakPolarHBondContact O-CB 3.34Å; R13-R17 WeakPolarHBondContact O-CD 3.41Å; R13-R17 WeakPolarHBondContact O-CG 3.45Å; R13-R17 PolarHBondContact O-N 3.49Å; R13-R17 VanDerWaalsContact O-N 3.1Å; R14-R17 PolarHBondContact O-N 3.05Å; I15-R17 VanDerWaalsContact C-N 3.34Å; I15-R17 PolarHBondContact O-N 3.1Å; R17-K21 WeakPolarHBondContact O-CB 3.48Å; R17-K21 VanDerWaalsContact O-CG 3.3Å; R17-K21 WeakPolarHBondContact O-CG 3.3Å; R17-K21 PolarHBondContact O-N 2.86Å
18E92.8Very high86.2Confident119 Ų119122.9 Ų122.956%0.55654%0.544SS*.Hα-helixtrans-71.1-43.5176.7-168.7158.8-164.600111R14 I15 N16 K21 Q22R14-E18 PolarHBondContact O-N 3.33Å; I15-E18 WeakPolarHBondContact O-CB 3.46Å; I15-E18 PolarHBondContact O-N 3.36Å; I15-E18 VanDerWaalsContact O-N 3.08Å; N16-E18 VanDerWaalsContact C-N 3.3Å; N16-E18 PolarHBondContact O-N 3.4Å; E18-K21 PolarHBondContact O-N 3.08Å; E18-Q22 WeakPolarHBondContact O-CB 3.4Å; E18-Q22 PolarHBondContact O-N 2.95Å
19I89.8Confident85.3Confident79 Ų79120 Ų12041%0.40553%0.533SS..Hα-helixtrans-58.6-47.7171.7-66.5168.9000110.7I15 N16 K21 Q22 L23I15-I19 HydrophobicContact CG2-CD1 3.7Å; I15-I19 HydrophobicContact CG2-CG1 4.3Å; I15-I19 WeakPolarHBondContact O-CG1 3.33Å; I15-I19 PolarHBondContact O-N 3.45Å; N16-I19 PolarHBondContact O-N 2.86Å; I19-K21 PolarHBondContact O-N 3.48Å; I19-Q22 PolarHBondContact O-N 3.45Å; I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.26Å; I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 2.82Å
20E89.9Confident84.3Confident126 Ų126121.8 Ų121.859%0.58955%0.548SS*.Hα-helixtrans-61.2-42.1178-79.5177-177.900112.6N16 Q22 L23 Q24N16-E20 WeakPolarHBondContact O-CB 3.4Å; N16-E20 WeakPolarHBondContact O-CG 3.37Å; N16-E20 PolarHBondContact O-N 3.06Å; E20-Q22 VanDerWaalsContact C-N 3.35Å; E20-L23 PolarHBondContact O-N 2.89Å; E20-Q24 PolarHBondContact O-N 3.22Å
21K89.8Confident83.4Confident140 Ų140122.9 Ų122.961%0.60955%0.552SS**Hα-helixtrans-64.5-40.2175.3-78.9177.8-179.3-178.70111.8R17 E18 I19 Q24 R25R17-K21 WeakPolarHBondContact O-CB 3.48Å; R17-K21 VanDerWaalsContact O-CG 3.3Å; R17-K21 WeakPolarHBondContact O-CG 3.3Å; R17-K21 PolarHBondContact O-N 2.86Å; E18-K21 PolarHBondContact O-N 3.08Å; I19-K21 PolarHBondContact O-N 3.48Å; K21-Q24 PolarHBondContact O-N 3.3Å; K21-R25 WeakPolarHBondContact O-CG 3.29Å; K21-R25 PolarHBondContact O-N 3.44Å; K21-R25 VanDerWaalsContact O-N 3.08Å
22Q85.8Confident83Confident118 Ų118123.2 Ų123.255%0.55155%0.55SS*.Hα-helixtrans-65.3-47.2176.4-170.71671.600110.4E18 I19 E20 Q24 R25 D26E18-Q22 WeakPolarHBondContact O-CB 3.4Å; E18-Q22 PolarHBondContact O-N 2.95Å; I19-Q22 PolarHBondContact O-N 3.45Å; E20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-Q24 VanDerWaalsContact C-N 3.32Å; Q22-Q24 PolarHBondContact O-N 2.79Å; Q22-R25 CarbonylContact O-C 3.59Å; Q22-R25 WeakPolarHBondContact O-CA 3.5Å; Q22-R25 WeakPolarHBondContact O-CB 3.48Å; Q22-R25 PolarHBondContact O-N 3.3Å; Q22-D26 WeakPolarHBondContact O-CB 3.27Å; Q22-D26 PolarHBondContact O-N 2.77Å
23L82.7Confident83Confident93 Ų93120.1 Ų120.149%0.48754%0.535SS..Hα-helixtrans-58.6-39.1175.2-73171.2000113I19 E20 K27I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.26Å; I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 2.82Å; E20-L23 PolarHBondContact O-N 2.89Å; L23-K27 WeakPolarHBondContact O-CB 3.44Å; L23-K27 VanDerWaalsContact O-CG 3.29Å; L23-K27 WeakPolarHBondContact O-CG 3.39Å; L23-K27 PolarHBondContact O-N 2.83Å
24Q80.2Confident83.1Confident149 Ų149113.2 Ų113.270%0.69651%0.51SS*.Hα-helixtrans-66.5-39.7174.4-88.2-172.1-14.700112.5E20 K21 Q22 R28E20-Q24 PolarHBondContact O-N 3.22Å; K21-Q24 PolarHBondContact O-N 3.3Å; Q22-Q24 VanDerWaalsContact C-N 3.32Å; Q22-Q24 PolarHBondContact O-N 2.79Å; Q24-R28 WeakPolarHBondContact O-CB 3.38Å; Q24-R28 PolarHBondContact O-N 3.04Å
25R77.7Confident83.2Confident179 Ų179107.3 Ų107.368%0.67549%0.488SS*.Hα-helixtrans-65.7-45.3174.8-74.2176177.5-176.7-1.4111K21 Q22 K27 R28 N29K21-R25 WeakPolarHBondContact O-CG 3.29Å; K21-R25 PolarHBondContact O-N 3.44Å; K21-R25 VanDerWaalsContact O-N 3.08Å; Q22-R25 CarbonylContact O-C 3.59Å; Q22-R25 WeakPolarHBondContact O-CA 3.5Å; Q22-R25 WeakPolarHBondContact O-CB 3.48Å; Q22-R25 PolarHBondContact O-N 3.3Å; R25-K27 PolarHBondContact O-N 3.47Å; R25-R28 PolarHBondContact O-N 3.04Å; R25-R28 VanDerWaalsContact O-N 3.11Å; R25-N29 WeakPolarHBondContact O-CB 3.34Å; R25-N29 VanDerWaalsContact O-CG 3.25Å; R25-N29 PolarHBondContact O-N 3.42Å
26D76.8Confident83.5Confident80 Ų80103.6 Ų103.643%0.42847%0.469SS..Hα-helixtrans-63.1-42.5178.8-64.2-14.8000110.7Q22 R28 N29 A30Q22-D26 WeakPolarHBondContact O-CB 3.27Å; Q22-D26 PolarHBondContact O-N 2.77Å; D26-R28 VanDerWaalsContact C-N 3.34Å; D26-R28 PolarHBondContact O-N 3.3Å; D26-N29 PolarHBondContact O-N 3.11Å; D26-A30 WeakPolarHBondContact O-CB 3.46Å; D26-A30 PolarHBondContact O-N 3.25Å
27K72.9Confident83.8Confident149 Ų14999.1 Ų99.165%0.64845%0.445SS*.Hα-helixtrans-60.7-40.2172.2-78.9-180-179.6-177.20112.8L23 R25 R31L23-K27 WeakPolarHBondContact O-CB 3.44Å; L23-K27 VanDerWaalsContact O-CG 3.29Å; L23-K27 WeakPolarHBondContact O-CG 3.39Å; L23-K27 PolarHBondContact O-N 2.83Å; R25-K27 PolarHBondContact O-N 3.47Å; K27-R31 WeakPolarHBondContact O-CG 3.2Å; K27-R31 PolarHBondContact O-N 2.9Å
28R71.6Confident84.1Confident155 Ų15591.1 Ų91.159%0.58542%0.415SS*.Hα-helixtrans-69.2-38.8177.9-174.8-178.9176.3-169.1-1111.7Q24 R25 D26Q24-R28 WeakPolarHBondContact O-CB 3.38Å; Q24-R28 PolarHBondContact O-N 3.04Å; R25-R28 PolarHBondContact O-N 3.04Å; R25-R28 VanDerWaalsContact O-N 3.11Å; D26-R28 VanDerWaalsContact C-N 3.34Å; D26-R28 PolarHBondContact O-N 3.3Å
29N68.1Low84.3Confident89 Ų8985.5 Ų85.548%0.47639%0.389SS..Hα-helixtrans-71-42.3177.6-69.2-10.5000111.1R25 D26 R31 R32 E33R25-N29 WeakPolarHBondContact O-CB 3.34Å; R25-N29 VanDerWaalsContact O-CG 3.25Å; R25-N29 PolarHBondContact O-N 3.42Å; D26-N29 PolarHBondContact O-N 3.11Å; N29-R31 VanDerWaalsContact C-N 3.26Å; N29-R31 PolarHBondContact O-N 3.19Å; N29-R32 CarbonylContact O-C 3.23Å; N29-R32 WeakPolarHBondContact O-CA 3.43Å; N29-R32 WeakPolarHBondContact O-CB 3.44Å; N29-R32 PolarHBondContact O-N 3.15Å; N29-E33 PolarHBondContact O-N 2.87Å; N29-E33 VanDerWaalsContact O-N 3.15Å
30A67Low84.7Confident61 Ų6181.7 Ų81.750%0.50437%0.369SS..Hα-helixtrans-59.7-35.5175.600000112.1D26 R32 E33D26-A30 WeakPolarHBondContact O-CB 3.46Å; D26-A30 PolarHBondContact O-N 3.25Å; A30-R32 PolarHBondContact O-N 3.2Å; A30-E33 PolarHBondContact O-N 3.31Å
31R70.7Confident85Confident177 Ų17775.9 Ų75.967%0.66834%0.343SS*.THydrogen-bonded Turntrans-65.5-14.6172.2-76.8178.5178.7-169.4-2.2114.4K27 N29 Y350K27-R31 WeakPolarHBondContact O-CG 3.2Å; K27-R31 PolarHBondContact O-N 2.9Å; N29-R31 VanDerWaalsContact C-N 3.26Å; N29-R31 PolarHBondContact O-N 3.19Å; R31-Y350 HydrophobicContact CG-CE1 4.37Å
32R80.3Confident85.2Confident97 Ų9770 Ų7037%0.36632%0.321SS..THydrogen-bonded Turntrans-107.5-3.7179.3-65.4178.1173.5-164.3-11.1112.5N29 A30 I194N29-R32 CarbonylContact O-C 3.23Å; N29-R32 WeakPolarHBondContact O-CA 3.43Å; N29-R32 WeakPolarHBondContact O-CB 3.44Å; N29-R32 PolarHBondContact O-N 3.15Å; A30-R32 PolarHBondContact O-N 3.2Å; R32-I194 PolarHBondContact O-N 2.85Å
33E89.3Confident85.6Confident63 Ų6366.8 Ų66.829%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-107.1125.3-179.9-167.4-179.1117.900109.9N29 A30 I194 R196N29-E33 PolarHBondContact O-N 2.87Å; N29-E33 VanDerWaalsContact O-N 3.15Å; A30-E33 PolarHBondContact O-N 3.31Å; E33-I194 CarbonylContact C-O 3.59Å; E33-I194 VanDerWaalsContact CA-O 3.31Å; E33-I194 WeakPolarHBondContact CA-O 3.47Å; E33-I194 HydrophobicContact CB-CB 4.37Å; E33-I194 HydrophobicContact CG-CB 4.17Å; E33-I194 HydrophobicContact CG-CG2 4.22Å; E33-R196 HydrophobicContact CG-CB 4.33Å; E33-R196 WeakPolarHBondContact OE1-CD 3.4Å; E33-R196 IonicContact OE1-CZ 3.74Å; E33-R196 IonicContact OE1-NE 3.6Å; E33-R196 PolarHBondContact OE1-NE 3.21Å; E33-R196 IonicContact OE1-NH2 3.46Å; E33-R196 PolarHBondContact OE1-NH2 3.44Å; E33-R196 IonicContact OE2-CZ 3.62Å; E33-R196 IonicContact OE2-NE 2.65Å; E33-R196 IonicContact OE2-NH2 2.99Å; E33-R196 PolarHBondContact OE2-NH2 2.89Å
34L92.4Very high86.3Confident8 Ų862.3 Ų62.34%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-112.8116.8178-55178.8000108.5I193 I194 F195 R196 T218 I342 L343 N346L34-I193 HydrophobicContact CD1-CG2 3.59Å; L34-I193 HydrophobicContact CG-CG2 3.81Å; L34-I194 PolarHBondContact N-O 3.16Å; L34-F195 HydrophobicContact CB-CD1 4.21Å; L34-F195 HydrophobicContact CB-CE1 4.3Å; L34-F195 HydrophobicContact CD1-CD1 4.4Å; L34-F195 HydrophobicContact CD1-CE1 3.71Å; L34-F195 HydrophobicContact CD1-CZ 3.89Å; L34-R196 PolarHBondContact O-N 3.19Å; L34-T218 HydrophobicContact CB-CG2 4.34Å; L34-T218 HydrophobicContact CD2-CG2 3.98Å; L34-I342 HydrophobicContact CD1-CG2 3.9Å; L34-L343 HydrophobicContact CD1-CD2 3.7Å; L34-N346 WeakPolarHBondContact CD2-OD1 3.16Å
35K94.7Very high87.2Confident32 Ų3255.8 Ų55.814%0.13926%0.255CS..EExtended strand (participates in β ladder)trans-90.5114-179.8-176.1178.1175.3-176.10110R196 V198 C213 E215 N216 V217 T218 S219K35-R196 WeakPolarHBondContact CA-O 3.48Å; K35-V198 HydrophobicContact CG-CG2 4.13Å; K35-C213 VanDerWaalsContact CE-O 3.28Å; K35-C213 WeakPolarHBondContact CE-O 3.42Å; K35-C213 PolarHBondContact NZ-O 2.68Å; K35-E215 PolarHBondContact NZ-O 3.13Å; K35-N216 WeakPolarHBondContact CB-O 3.5Å; K35-V217 HydrophobicContact CD-CG2 4.22Å; K35-T218 PolarHBondContact N-OG1 3.34Å; K35-T218 WeakPolarHBondContact O-CB 3.25Å; K35-T218 PolarHBondContact O-N 2.99Å; K35-S219 PolarHBondContact O-N 3.46Å
36L96.5Very high88.1Confident0 Ų047.7 Ų47.70%023%0.225CC..EExtended strand (participates in β ladder)trans-104.9112.9179.3-51.4-176.6000109.4F195 R196 M197 V198 S219 M221 F335 I342L36-F195 HydrophobicContact CD1-CD1 3.62Å; L36-F195 HydrophobicContact CD1-CE1 4.33Å; L36-F195 HydrophobicContact CG-CD1 4.18Å; L36-R196 PolarHBondContact N-O 3.19Å; L36-M197 HydrophobicContact CB-CG 4.29Å; L36-M197 HydrophobicContact CD1-CG 4.24Å; L36-M197 CarbonylContact O-C 3.57Å; L36-M197 WeakPolarHBondContact O-CA 3.32Å; L36-V198 PolarHBondContact O-N 2.86Å; L36-S219 WeakPolarHBondContact CA-O 3.3Å; L36-M221 HydrophobicContact CB-SD 4.14Å; L36-M221 HydrophobicContact CD1-CE 3.61Å; L36-M221 HydrophobicContact CD1-SD 4.14Å; L36-M221 HydrophobicContact CG-CE 4.44Å; L36-F335 HydrophobicContact CD1-CE2 4.25Å; L36-I342 HydrophobicContact CD1-CD1 4.39Å; L36-I342 HydrophobicContact CD2-CD1 3.67Å
37L97.8Very high89.1Confident0 Ų044.9 Ų44.90%021%0.211CC..EExtended strand (participates in β ladder)trans-97.2117.5-179.5179.657.6000110.4L39 V198 V200 C213 F214 V217 S219 M221 F258L37-L39 HydrophobicContact CD1-CD2 4.2Å; L37-L39 HydrophobicContact CD2-CD1 3.99Å; L37-L39 HydrophobicContact CD2-CD2 4.19Å; L37-L39 HydrophobicContact CD2-CG 4.21Å; L37-L39 HydrophobicContact CG-CD1 4.18Å; L37-L39 HydrophobicContact CG-CD2 3.99Å; L37-L39 HydrophobicContact CG-CG 3.9Å; L37-V198 HydrophobicContact CD1-CB 3.82Å; L37-V198 HydrophobicContact CD1-CG1 3.84Å; L37-V200 HydrophobicContact CD1-CG1 4.44Å; L37-C213 HydrophobicContact CD1-CB 4.44Å; L37-C213 WeakPolarHBondContact CD1-SG 3.31Å; L37-F214 HydrophobicContact CD2-CD1 3.75Å; L37-F214 HydrophobicContact CD2-CE1 3.89Å; L37-V217 HydrophobicContact CB-CG1 3.74Å; L37-V217 HydrophobicContact CB-CG2 4.02Å; L37-V217 HydrophobicContact CD2-CG2 3.93Å; L37-S219 PolarHBondContact N-O 3.03Å; L37-M221 PolarHBondContact O-N 3.38Å; L37-F258 HydrophobicContact CD2-CE1 3.94Å; L37-F258 HydrophobicContact CD2-CZ 3.75Å
38L98.1Very high90.3Very high0 Ų039 Ų390%019%0.188CC..EExtended strand (participates in β ladder)trans-90.7118.6179.5-73.780.4000109.8K46 F49 I50 M197 V198 V200 M221L38-K46 HydrophobicContact CB-CB 4.25Å; L38-K46 HydrophobicContact CB-CD 4.17Å; L38-K46 HydrophobicContact CB-CG 4.23Å; L38-K46 HydrophobicContact CD2-CB 4.19Å; L38-K46 WeakPolarHBondContact O-CD 3.29Å; L38-F49 HydrophobicContact CD2-CB 4.35Å; L38-F49 HydrophobicContact CD2-CD1 4.12Å; L38-I50 HydrophobicContact CD1-CD1 4.27Å; L38-I50 HydrophobicContact CD1-CG1 4.46Å; L38-I50 HydrophobicContact CD2-CD1 3.99Å; L38-I50 HydrophobicContact CD2-CG1 3.88Å; L38-M197 HydrophobicContact CD1-CB 3.99Å; L38-M197 HydrophobicContact CD1-CE 3.67Å; L38-M197 HydrophobicContact CD1-CG 4.39Å; L38-M197 HydrophobicContact CD2-CE 4.06Å; L38-M197 HydrophobicContact CG-CE 4.38Å; L38-V198 PolarHBondContact N-O 3.41Å; L38-V200 WeakPolarHBondContact O-CG2 3.45Å; L38-M221 WeakPolarHBondContact CA-O 3.5Å; L38-M221 HydrophobicContact CD1-SD 4.32Å; L38-M221 HydrophobicContact CG-CB 4.16Å; L38-M221 HydrophobicContact CG-SD 4.44Å
39L98.1Very high91.5Very high0 Ų031.9 Ų31.90%016%0.161CC..EExtended strand (participates in β ladder)trans-125.9161.5-178.4-62.1176.3000111.1L37 V200 W210 I220 M221 F222 V223 I252 F258L37-L39 HydrophobicContact CD1-CD2 4.2Å; L37-L39 HydrophobicContact CD2-CD1 3.99Å; L37-L39 HydrophobicContact CD2-CD2 4.19Å; L37-L39 HydrophobicContact CD2-CG 4.21Å; L37-L39 HydrophobicContact CG-CD1 4.18Å; L37-L39 HydrophobicContact CG-CD2 3.99Å; L37-L39 HydrophobicContact CG-CG 3.9Å; L39-V200 HydrophobicContact CD2-CG2 3.75Å; L39-W210 HydrophobicContact CD2-CD2 3.89Å; L39-W210 HydrophobicContact CD2-CE3 3.72Å; L39-W210 HydrophobicContact CD2-CG 4.46Å; L39-W210 HydrophobicContact CD2-CH2 4.31Å; L39-W210 HydrophobicContact CD2-CZ2 4.47Å; L39-W210 HydrophobicContact CD2-CZ3 3.93Å; L39-I220 HydrophobicContact CD1-CG2 3.99Å; L39-I220 HydrophobicContact CG-CG2 4.47Å; L39-M221 PolarHBondContact N-O 3.45Å; L39-F222 HydrophobicContact CB-CD2 3.8Å; L39-F222 HydrophobicContact CB-CE2 4.24Å; L39-F222 CarbonylContact O-C 3.44Å; L39-F222 WeakPolarHBondContact O-CA 3.4Å; L39-V223 PolarHBondContact O-N 3.02Å; L39-I252 HydrophobicContact CD1-CB 4.49Å; L39-I252 HydrophobicContact CD1-CD1 3.86Å; L39-I252 HydrophobicContact CD1-CG1 4.02Å; L39-I252 HydrophobicContact CD1-CG2 3.62Å; L39-F258 HydrophobicContact CD1-CE2 4.32Å; L39-F258 HydrophobicContact CD1-CZ 4.3Å
40G97.7Very high92.9Very high0 Ų028.6 Ų28.60%014%0.144CC..  trans139.7168.6-177.900000112K46 G202G40-K46 PolarHBondContact O-NZ 3.09Å; G40-G202 WeakPolarHBondContact O-CA 3.33Å
41T96.6Very high94.3Very high4 Ų427.5 Ų27.53%0.02513%0.128CC..SBendtrans-59.7165.9-179.652.10000112.7S44 K46 E244 L248T41-S44 PolarHBondContact O-OG 2.87Å; T41-K46 PolarHBondContact O-NZ 3.18Å; T41-E244 HydrophobicContact CG2-CG 4.03Å; T41-L248 HydrophobicContact CG2-CD2 4.15Å
42G94.3Very high95.6Very high15 Ų1519.1 Ų19.116%0.15510%0.096CC..THydrogen-bonded Turntrans-53.4146.116800000110.1S44 G202G42-S44 PolarHBondContact O-N 2.87Å; G42-G202 VanDerWaalsContact N-C 3.33Å; G42-G202 PolarHBondContact N-O 2.81Å
43E95Very high96.3Very high51 Ų5114.5 Ų14.524%0.2388%0.078CC..THydrogen-bonded Turntrans67.41.2174.5-49.5-166.2128.400116.6G45 R177 R241 K269E43-G45 PolarHBondContact O-N 3.46Å; E43-R177 VanDerWaalsContact CG-NH2 3.33Å; E43-R177 IonicContact OE1-NE 3.89Å; E43-R177 PolarHBondContact OE1-NE 3.38Å; E43-R241 IonicContact OE2-CZ 3.47Å; E43-R241 IonicContact OE2-NH1 3.92Å; E43-R241 PolarHBondContact OE2-NH1 3.01Å; E43-R241 IonicContact OE2-NH2 2.74Å; E43-R241 PolarHBondContact OE2-NH2 3.31Å; E43-R241 VanDerWaalsContact OE2-NH2 3.09Å; E43-K269 WeakPolarHBondContact O-CE 3.44Å; E43-K269 PolarHBondContact O-NZ 2.89Å
44S97.5Very high96.6Very high0 Ų014.2 Ų14.20%08%0.075CC..SBendtrans-65.7-21.7-178.669.70000115.1T41 G42 V223 N268T41-S44 PolarHBondContact O-OG 2.87Å; G42-S44 PolarHBondContact O-N 2.87Å; S44-V223 WeakPolarHBondContact CB-O 3.44Å; S44-V223 VanDerWaalsContact O-CG1 3.27Å; S44-V223 WeakPolarHBondContact O-CG1 3.32Å; S44-V223 PolarHBondContact OG-O 2.83Å; S44-V223 VanDerWaalsContact OG-O 3.06Å; S44-N268 PolarHBondContact O-ND2 3.03Å
45G97.3Very high96.8Very high11 Ų1115 Ų1511%0.1138%0.079CC..SBendtrans117.28.2175.800000116.3E43 S47 T48 F49E43-G45 PolarHBondContact O-N 3.46Å; G45-S47 PolarHBondContact O-N 2.91Å; G45-T48 WeakPolarHBondContact O-CB 3.28Å; G45-T48 PolarHBondContact O-N 3.37Å; G45-F49 PolarHBondContact O-N 3.46Å
46K97.5Very high96.8Very high9 Ų914.6 Ų14.64%0.0398%0.078CC..Hα-helixtrans-51-57.2178.8-62.6-177.5-66.3-68.50113.8L38 G40 T41 T48 F49 I50 D199 V200 V223L38-K46 HydrophobicContact CB-CB 4.25Å; L38-K46 HydrophobicContact CB-CD 4.17Å; L38-K46 HydrophobicContact CB-CG 4.23Å; L38-K46 HydrophobicContact CD2-CB 4.19Å; L38-K46 WeakPolarHBondContact O-CD 3.29Å; G40-K46 PolarHBondContact O-NZ 3.09Å; T41-K46 PolarHBondContact O-NZ 3.18Å; K46-T48 VanDerWaalsContact C-N 3.26Å; K46-T48 PolarHBondContact O-N 3.39Å; K46-F49 VanDerWaalsContact O-CB 3.32Å; K46-F49 WeakPolarHBondContact O-CB 3.45Å; K46-F49 PolarHBondContact O-N 3.14Å; K46-I50 PolarHBondContact O-N 3.27Å; K46-I50 VanDerWaalsContact O-N 3.15Å; K46-D199 WeakPolarHBondContact CB-OD1 3.5Å; K46-V200 WeakPolarHBondContact CE-O 3.39Å; K46-V223 HydrophobicContact CG-CB 4.06Å; K46-V223 HydrophobicContact CG-CG2 3.81Å
47S97.4Very high96.7Very high21 Ų2117.2 Ų17.215%0.1479%0.09CC..Hα-helixtrans-63.1-35.4-179-44.20000111.6G45 F49 I50 K51 T180 D199G45-S47 PolarHBondContact O-N 2.91Å; S47-F49 VanDerWaalsContact C-N 3.32Å; S47-F49 PolarHBondContact O-N 3.31Å; S47-I50 PolarHBondContact O-N 2.75Å; S47-K51 VanDerWaalsContact O-CG 3.27Å; S47-K51 WeakPolarHBondContact O-CG 3.29Å; S47-K51 PolarHBondContact O-N 2.75Å; S47-T180 PolarHBondContact OG-OG1 3.39Å; S47-D199 WeakPolarHBondContact CA-OD2 3.4Å; S47-D199 VanDerWaalsContact CB-OD2 3.25Å; S47-D199 WeakPolarHBondContact CB-OD2 3.22Å; S47-D199 PolarHBondContact OG-OD2 3.04Å
48T97.8Very high96.4Very high27 Ų2718.8 Ų18.817%0.16611%0.106CC..Hα-helixtrans-62.9-39.4174.9-53.50000111.4G45 K46 I50 K51 Q52 L174 A325 T326G45-T48 WeakPolarHBondContact O-CB 3.28Å; G45-T48 PolarHBondContact O-N 3.37Å; K46-T48 VanDerWaalsContact C-N 3.26Å; K46-T48 PolarHBondContact O-N 3.39Å; T48-I50 VanDerWaalsContact C-N 3.34Å; T48-I50 PolarHBondContact O-N 3.02Å; T48-K51 WeakPolarHBondContact O-CB 3.15Å; T48-K51 PolarHBondContact O-N 3.2Å; T48-Q52 WeakPolarHBondContact O-CG 3.3Å; T48-Q52 PolarHBondContact O-N 2.73Å; T48-L174 HydrophobicContact CG2-CB 4.25Å; T48-L174 HydrophobicContact CG2-CD2 3.87Å; T48-L174 WeakPolarHBondContact CG2-O 3.36Å; T48-L174 PolarHBondContact OG1-O 2.99Å; T48-A325 HydrophobicContact CG2-CB 3.67Å; T48-A325 WeakPolarHBondContact CG2-O 3.39Å; T48-T326 HydrophobicContact CG2-CG2 4.4Å
49F97.5Very high96.1Very high4 Ų424.5 Ų24.52%0.01815%0.146CC..Hα-helixtrans-62.2-39.4173.9-167.7-91.4000112.3L38 G45 K46 S47 Q52 M53 M197 M221 F266 I331 F335L38-F49 HydrophobicContact CD2-CB 4.35Å; L38-F49 HydrophobicContact CD2-CD1 4.12Å; G45-F49 PolarHBondContact O-N 3.46Å; K46-F49 VanDerWaalsContact O-CB 3.32Å; K46-F49 WeakPolarHBondContact O-CB 3.45Å; K46-F49 PolarHBondContact O-N 3.14Å; S47-F49 VanDerWaalsContact C-N 3.32Å; S47-F49 PolarHBondContact O-N 3.31Å; F49-Q52 WeakPolarHBondContact O-CB 3.49Å; F49-Q52 PolarHBondContact O-N 2.97Å; F49-M53 HydrophobicContact CD1-CG 4.41Å; F49-M53 HydrophobicContact CE1-CE 4.32Å; F49-M53 HydrophobicContact CE1-CG 4.26Å; F49-M53 HydrophobicContact CE1-SD 4.38Å; F49-M53 HydrophobicContact CZ-CE 4.27Å; F49-M53 PolarHBondContact O-N 3.4Å; F49-M197 HydrophobicContact CD1-CE 3.43Å; F49-M197 VanDerWaalsContact CD1-CE 3.43Å; F49-M197 HydrophobicContact CE1-CE 3.5Å; F49-M197 VanDerWaalsContact CE1-CE 3.5Å; F49-M221 HydrophobicContact CE1-SD 4.21Å; F49-F266 HydrophobicContact CD1-CE2 4.44Å; F49-F266 HydrophobicContact CD2-CD2 4.43Å; F49-F266 HydrophobicContact CD2-CE2 4.13Å; F49-F266 AromaticContact CE1-CE2 3.97Å; F49-F266 HydrophobicContact CE1-CE2 3.97Å; F49-F266 HydrophobicContact CE1-CZ 4.43Å; F49-F266 HydrophobicContact CE2-CD2 4.25Å; F49-F266 AromaticContact CE2-CE2 3.6Å; F49-F266 HydrophobicContact CE2-CE2 3.6Å; F49-F266 AromaticContact CE2-CZ 3.81Å; F49-F266 HydrophobicContact CE2-CZ 3.81Å; F49-F266 AromaticContact CZ-CE2 3.52Å; F49-F266 HydrophobicContact CZ-CE2 3.52Å; F49-F266 AromaticContact CZ-CZ 3.65Å; F49-F266 HydrophobicContact CZ-CZ 3.65Å; F49-I331 HydrophobicContact CD2-CD1 3.9Å; F49-I331 HydrophobicContact CD2-CG2 4.07Å; F49-I331 HydrophobicContact CE2-CD1 3.95Å; F49-I331 HydrophobicContact CE2-CG2 3.8Å; F49-I331 HydrophobicContact CZ-CG2 4.42Å; F49-F335 HydrophobicContact CE1-CD2 4.12Å; F49-F335 HydrophobicContact CZ-CB 4.43Å; F49-F335 AromaticContact CZ-CD2 3.89Å; F49-F335 HydrophobicContact CZ-CD2 3.89Å
50I96.4Very high95.9Very high21 Ų2124.9 Ų24.911%0.10815%0.15CC..Hα-helixtrans-68-40.3174.4-70.2168.4000111.9L38 K46 S47 T48 Q52 M53 R54 Y186 M197 D199L38-I50 HydrophobicContact CD1-CD1 4.27Å; L38-I50 HydrophobicContact CD1-CG1 4.46Å; L38-I50 HydrophobicContact CD2-CD1 3.99Å; L38-I50 HydrophobicContact CD2-CG1 3.88Å; K46-I50 PolarHBondContact O-N 3.27Å; K46-I50 VanDerWaalsContact O-N 3.15Å; S47-I50 PolarHBondContact O-N 2.75Å; T48-I50 VanDerWaalsContact C-N 3.34Å; T48-I50 PolarHBondContact O-N 3.02Å; I50-Q52 PolarHBondContact O-N 2.76Å; I50-M53 PolarHBondContact O-N 3.22Å; I50-R54 PolarHBondContact O-N 3.15Å; I50-Y186 HydrophobicContact CG2-CD1 4.19Å; I50-Y186 HydrophobicContact CG2-CG 3.93Å; I50-M197 HydrophobicContact CD1-CB 4.4Å; I50-M197 HydrophobicContact CG1-CB 4.29Å; I50-M197 HydrophobicContact CG1-CE 3.94Å; I50-M197 HydrophobicContact CG1-SD 4.08Å; I50-D199 HydrophobicContact CD1-CB 3.32Å
51K97.1Very high95.9Very high38 Ų3826.1 Ų26.117%0.16516%0.155CC..Hα-helixtrans-56.7-39172-65.2175.5-176.8176.30110.9S47 T48 R54 I55 Y61 I173 L174 V176S47-K51 VanDerWaalsContact O-CG 3.27Å; S47-K51 WeakPolarHBondContact O-CG 3.29Å; S47-K51 PolarHBondContact O-N 2.75Å; T48-K51 WeakPolarHBondContact O-CB 3.15Å; T48-K51 PolarHBondContact O-N 3.2Å; K51-R54 WeakPolarHBondContact O-CB 3.31Å; K51-R54 PolarHBondContact O-N 3.17Å; K51-I55 WeakPolarHBondContact O-CG1 3.37Å; K51-I55 PolarHBondContact O-N 2.87Å; K51-I55 VanDerWaalsContact O-N 3.1Å; K51-Y61 VanDerWaalsContact CA-OH 3.31Å; K51-Y61 WeakPolarHBondContact CA-OH 3.44Å; K51-Y61 WeakPolarHBondContact CB-OH 3.38Å; K51-Y61 WeakPolarHBondContact CG-OH 3.48Å; K51-I173 HydrophobicContact CD-CG2 4.29Å; K51-I173 VanDerWaalsContact CD-O 3.29Å; K51-I173 WeakPolarHBondContact CD-O 3.41Å; K51-I173 WeakPolarHBondContact CE-O 3.17Å; K51-I173 PolarHBondContact NZ-O 3.47Å; K51-L174 HydrophobicContact CB-CD2 3.9Å; K51-V176 PolarHBondContact NZ-O 3.43Å
52Q97.6Very high95.9Very high0 Ų028.6 Ų28.60%017%0.172CC..Hα-helixtrans-64.9-41.2173.5-70.2-73.221.800112.6T48 F49 I50 R54 I55 I56 L174 A325 T328 I331T48-Q52 WeakPolarHBondContact O-CG 3.3Å; T48-Q52 PolarHBondContact O-N 2.73Å; F49-Q52 WeakPolarHBondContact O-CB 3.49Å; F49-Q52 PolarHBondContact O-N 2.97Å; I50-Q52 PolarHBondContact O-N 2.76Å; Q52-R54 PolarHBondContact O-N 3.13Å; Q52-I55 PolarHBondContact O-N 2.95Å; Q52-I56 HydrophobicContact CB-CD1 4.18Å; Q52-I56 WeakPolarHBondContact O-CB 3.45Å; Q52-I56 VanDerWaalsContact O-CG1 3.28Å; Q52-I56 WeakPolarHBondContact O-CG1 3.35Å; Q52-I56 PolarHBondContact O-N 2.91Å; Q52-L174 HydrophobicContact CG-CD2 3.7Å; Q52-A325 VanDerWaalsContact CG-O 3.24Å; Q52-A325 WeakPolarHBondContact CG-O 3.07Å; Q52-A325 PolarHBondContact NE2-O 3.29Å; Q52-T328 PolarHBondContact NE2-OG1 3.18Å; Q52-T328 PolarHBondContact OE1-OG1 2.95Å; Q52-I331 HydrophobicContact CB-CB 4.35Å; Q52-I331 HydrophobicContact CB-CG2 3.7Å; Q52-I331 HydrophobicContact CG-CB 4.29Å; Q52-I331 HydrophobicContact CG-CG1 4.15Å; Q52-I331 HydrophobicContact CG-CG2 4.13Å
53M96Very high96.1Very high0 Ų031.7 Ų31.70%019%0.185CC..Hα-helixtrans-62.6-33.4175-64-59.6100.500112.1F49 I50 I56 H57 G58 Y186 F188 M197 I331 F335F49-M53 HydrophobicContact CD1-CG 4.41Å; F49-M53 HydrophobicContact CE1-CE 4.32Å; F49-M53 HydrophobicContact CE1-CG 4.26Å; F49-M53 HydrophobicContact CE1-SD 4.38Å; F49-M53 HydrophobicContact CZ-CE 4.27Å; F49-M53 PolarHBondContact O-N 3.4Å; I50-M53 PolarHBondContact O-N 3.22Å; M53-I56 HydrophobicContact CE-CD1 4.05Å; M53-H57 WeakPolarHBondContact O-CA 3.33Å; M53-H57 PolarHBondContact O-N 2.92Å; M53-G58 PolarHBondContact O-N 3.48Å; M53-G58 VanDerWaalsContact O-N 3.16Å; M53-Y186 HydrophobicContact CB-CE1 4.18Å; M53-F188 HydrophobicContact CB-CD1 4.47Å; M53-F188 HydrophobicContact CB-CE1 4.13Å; M53-F188 HydrophobicContact CB-CZ 4.47Å; M53-F188 HydrophobicContact CG-CE1 4.26Å; M53-F188 HydrophobicContact CG-CZ 4.37Å; M53-F188 HydrophobicContact SD-CZ 4.14Å; M53-M197 HydrophobicContact CB-SD 3.92Å; M53-M197 HydrophobicContact CG-CE 3.85Å; M53-M197 HydrophobicContact CG-SD 3.45Å; M53-M197 WeakPolarHBondContact CG-SD 3.34Å; M53-I331 HydrophobicContact CE-CG2 3.48Å; M53-I331 VanDerWaalsContact CE-CG2 3.48Å; M53-F335 HydrophobicContact CE-CB 3.94Å; M53-F335 HydrophobicContact CE-CD1 4.41Å; M53-F335 HydrophobicContact CE-CD2 4.27Å; M53-F335 HydrophobicContact CE-CG 3.93Å; M53-F335 HydrophobicContact SD-CB 4.27Å; M53-F335 HydrophobicContact SD-CD1 3.75Å; M53-F335 HydrophobicContact SD-CD2 3.65Å; M53-F335 HydrophobicContact SD-CE1 3.99Å; M53-F335 HydrophobicContact SD-CE2 3.89Å; M53-F335 HydrophobicContact SD-CG 3.58Å; M53-F335 VanDerWaalsContact SD-CG 3.58Å; M53-F335 HydrophobicContact SD-CZ 4.08Å
54R95.5Very high96.2Very high57 Ų5736.7 Ų36.722%0.21521%0.208CC..Hα-helixtrans-64.9-37.2171.6-174.7174.3170.8-178.30.6113.2I50 K51 Q52 G58 G60 Y61 D65 Y186I50-R54 PolarHBondContact O-N 3.15Å; K51-R54 WeakPolarHBondContact O-CB 3.31Å; K51-R54 PolarHBondContact O-N 3.17Å; Q52-R54 PolarHBondContact O-N 3.13Å; R54-G58 CarbonylContact O-C 3.58Å; R54-G58 VanDerWaalsContact O-C 3.23Å; R54-G58 WeakPolarHBondContact O-CA 3.49Å; R54-G58 PolarHBondContact O-N 3.1Å; R54-G60 PolarHBondContact NE-O 3.35Å; R54-G60 PolarHBondContact NH2-O 3.38Å; R54-G60 WeakPolarHBondContact O-CA 3.48Å; R54-G60 PolarHBondContact O-N 2.96Å; R54-Y61 HydrophobicContact CG-CE2 4.45Å; R54-Y61 VanDerWaalsContact CZ-CD1 3.48Å; R54-Y61 VanDerWaalsContact NH1-CE1 3.31Å; R54-D65 IonicContact CZ-OD1 2.8Å; R54-D65 IonicContact CZ-OD2 3.4Å; R54-D65 IonicContact NH1-OD1 2.68Å; R54-D65 PolarHBondContact NH1-OD1 2.92Å; R54-D65 IonicContact NH2-OD1 2.99Å; R54-D65 PolarHBondContact NH2-OD1 2.81Å; R54-D65 IonicContact NH2-OD2 3.32Å; R54-D65 PolarHBondContact NH2-OD2 2.96Å; R54-Y186 VanDerWaalsContact CA-OH 3.3Å; R54-Y186 WeakPolarHBondContact CA-OH 3.3Å; R54-Y186 HydrophobicContact CB-CE1 4.49Å; R54-Y186 HydrophobicContact CB-CE2 4.19Å; R54-Y186 HydrophobicContact CG-CE2 4.3Å
55I96.2Very high96.2Very high26 Ų2639.3 Ų39.313%0.13322%0.223CC..Hα-helixtrans-74.9-45.1176.9-66.2163.7000111.5K51 Q52 Y61 E170 L174 T328K51-I55 WeakPolarHBondContact O-CG1 3.37Å; K51-I55 PolarHBondContact O-N 2.87Å; K51-I55 VanDerWaalsContact O-N 3.1Å; Q52-I55 PolarHBondContact O-N 2.95Å; I55-Y61 HydrophobicContact CD1-CD2 4.44Å; I55-Y61 HydrophobicContact CD1-CE2 4.02Å; I55-Y61 HydrophobicContact CG1-CD2 4Å; I55-Y61 HydrophobicContact CG1-CE2 3.74Å; I55-E170 HydrophobicContact CD1-CB 4.18Å; I55-E170 HydrophobicContact CD1-CG 4.39Å; I55-L174 HydrophobicContact CD1-CD1 4.28Å; I55-L174 HydrophobicContact CD1-CD2 4.06Å; I55-L174 HydrophobicContact CD1-CG 4.17Å; I55-T328 HydrophobicContact CG2-CG2 4.38Å
56I95.5Very high96.3Very high22 Ų2240.8 Ų40.811%0.11323%0.226CC..Hα-helixtrans-81.7-40.7-169.5-66.5169.5000111.9Q52 M53 T328 I331 R332Q52-I56 HydrophobicContact CB-CD1 4.18Å; Q52-I56 WeakPolarHBondContact O-CB 3.45Å; Q52-I56 VanDerWaalsContact O-CG1 3.28Å; Q52-I56 WeakPolarHBondContact O-CG1 3.35Å; Q52-I56 PolarHBondContact O-N 2.91Å; M53-I56 HydrophobicContact CE-CD1 4.05Å; I56-T328 HydrophobicContact CD1-CG2 4.06Å; I56-T328 HydrophobicContact CG1-CG2 3.83Å; I56-I331 HydrophobicContact CD1-CB 4.23Å; I56-I331 HydrophobicContact CD1-CG2 3.9Å; I56-R332 HydrophobicContact CD1-CB 4.17Å; I56-R332 HydrophobicContact CG2-CG 4.2Å
57H93.2Very high96.2Very high56 Ų5647.3 Ų47.326%0.25925%0.25SS..THydrogen-bonded Turntrans-120.5-10.6-173.5-62-57.4000113.7M53 F188 F335M53-H57 WeakPolarHBondContact O-CA 3.33Å; M53-H57 PolarHBondContact O-N 2.92Å; H57-F188 HydrophobicContact CB-CD2 3.64Å; H57-F188 HydrophobicContact CB-CE2 3.99Å; H57-F188 HydrophobicContact CB-CG 4.35Å; H57-F188 AromaticContact CD2-CE2 3.84Å; H57-F335 AromaticContact CD2-CD1 3.86Å; H57-F335 AromaticContact CD2-CE1 3.9Å; H57-F335 AromaticContact NE2-CD1 3.25Å; H57-F335 VanDerWaalsContact NE2-CD1 3.25Å; H57-F335 WeakPolarHBondContact NE2-CD1 3.35Å; H57-F335 AromaticContact NE2-CE1 3.61Å
58G91.5Very high96.2Very high32 Ų3249 Ų4933%0.3327%0.271SS..SBendtrans-101-164.917500000113M53 R54 G60M53-G58 PolarHBondContact O-N 3.48Å; M53-G58 VanDerWaalsContact O-N 3.16Å; R54-G58 CarbonylContact O-C 3.58Å; R54-G58 VanDerWaalsContact O-C 3.23Å; R54-G58 WeakPolarHBondContact O-CA 3.49Å; R54-G58 PolarHBondContact O-N 3.1Å; G58-G60 PolarHBondContact O-N 3.37Å
59S92.3Very high96.2Very high121 Ų12149.4 Ų49.485%0.84627%0.271SS*.  trans-83.110.3175.462.20000113.6
60G94.8Very high96.2Very high7 Ų751.1 Ų51.17%0.07228%0.281CS..  trans60.8-146.7-170.500000112.8R54 G58R54-G60 PolarHBondContact NE-O 3.35Å; R54-G60 PolarHBondContact NH2-O 3.38Å; R54-G60 WeakPolarHBondContact O-CA 3.48Å; R54-G60 PolarHBondContact O-N 2.96Å; G58-G60 PolarHBondContact O-N 3.37Å
61Y96.9Very high96.2Very high27 Ų2755 Ų5511%0.10629%0.294CS..  trans-113.5124-178-66.4-86.9000110.7K51 R54 I55 D65 K66 I173K51-Y61 VanDerWaalsContact CA-OH 3.31Å; K51-Y61 WeakPolarHBondContact CA-OH 3.44Å; K51-Y61 WeakPolarHBondContact CB-OH 3.38Å; K51-Y61 WeakPolarHBondContact CG-OH 3.48Å; R54-Y61 HydrophobicContact CG-CE2 4.45Å; R54-Y61 VanDerWaalsContact CZ-CD1 3.48Å; R54-Y61 VanDerWaalsContact NH1-CE1 3.31Å; I55-Y61 HydrophobicContact CD1-CD2 4.44Å; I55-Y61 HydrophobicContact CD1-CE2 4.02Å; I55-Y61 HydrophobicContact CG1-CD2 4Å; I55-Y61 HydrophobicContact CG1-CE2 3.74Å; Y61-D65 HydrophobicContact CD1-CB 3.98Å; Y61-K66 WeakPolarHBondContact O-CE 3.42Å; Y61-I173 HydrophobicContact CD1-CD1 4.11Å; Y61-I173 HydrophobicContact CD1-CG2 4.2Å; Y61-I173 HydrophobicContact CD2-CD1 3.74Å; Y61-I173 HydrophobicContact CD2-CG2 4.07Å; Y61-I173 HydrophobicContact CE1-CG2 3.8Å; Y61-I173 HydrophobicContact CE2-CD1 4.41Å; Y61-I173 HydrophobicContact CE2-CG2 3.66Å; Y61-I173 HydrophobicContact CG-CD1 3.57Å; Y61-I173 HydrophobicContact CG-CG2 4.33Å
62S97.4Very high96.2Very high56 Ų5658 Ų5839%0.39230%0.304SS..  trans-68.6165.1172.4720000111E64 D65 K66S62-E64 PolarHBondContact O-N 2.94Å; S62-E64 PolarHBondContact OG-N 3.25Å; S62-D65 WeakPolarHBondContact CB-OD2 3.25Å; S62-D65 PolarHBondContact N-OD2 3.02Å; S62-D65 WeakPolarHBondContact O-CB 3.07Å; S62-D65 PolarHBondContact O-N 3.45Å; S62-D65 PolarHBondContact OG-N 2.95Å; S62-D65 VanDerWaalsContact OG-N 3.14Å; S62-D65 PolarHBondContact OG-OD2 2.83Å; S62-K66 WeakPolarHBondContact O-CG 3.4Å; S62-K66 PolarHBondContact O-N 2.8Å
63D97.9Very high96.2Very high79 Ų7958.1 Ų58.142%0.42231%0.305SS..Hα-helixtrans-62.1-28.8173.9-74.50.5000112.5K66 R67D63-K66 IonicContact OD1-NZ 3.95Å; D63-R67 WeakPolarHBondContact O-CB 3.33Å; D63-R67 VanDerWaalsContact O-CG 3.26Å; D63-R67 WeakPolarHBondContact O-CG 3.3Å; D63-R67 PolarHBondContact O-N 2.82Å
64E97.8Very high96.2Very high156 Ų15658.7 Ų58.773%0.72931%0.307SS*.Hα-helixtrans-68.3-45.6173.9-173.3174.4-175.300111.4S62 K66 R67 G68S62-E64 PolarHBondContact O-N 2.94Å; S62-E64 PolarHBondContact OG-N 3.25Å; E64-K66 VanDerWaalsContact C-N 3.29Å; E64-K66 PolarHBondContact O-N 2.96Å; E64-R67 PolarHBondContact O-N 2.71Å; E64-G68 PolarHBondContact O-N 3.01Å
65D96.8Very high96.3Very high56 Ų5656.5 Ų56.530%0.29930%0.3SS..Hα-helixtrans-56.9-45.9173.3-64.9-83.5000111.1R54 Y61 S62 G68 L69R54-D65 IonicContact CZ-OD1 2.8Å; R54-D65 IonicContact CZ-OD2 3.4Å; R54-D65 IonicContact NH1-OD1 2.68Å; R54-D65 PolarHBondContact NH1-OD1 2.92Å; R54-D65 IonicContact NH2-OD1 2.99Å; R54-D65 PolarHBondContact NH2-OD1 2.81Å; R54-D65 IonicContact NH2-OD2 3.32Å; R54-D65 PolarHBondContact NH2-OD2 2.96Å; Y61-D65 HydrophobicContact CD1-CB 3.98Å; S62-D65 WeakPolarHBondContact CB-OD2 3.25Å; S62-D65 PolarHBondContact N-OD2 3.02Å; S62-D65 WeakPolarHBondContact O-CB 3.07Å; S62-D65 PolarHBondContact O-N 3.45Å; S62-D65 PolarHBondContact OG-N 2.95Å; S62-D65 VanDerWaalsContact OG-N 3.14Å; S62-D65 PolarHBondContact OG-OD2 2.83Å; D65-G68 PolarHBondContact O-N 3.02Å; D65-L69 PolarHBondContact O-N 3.23Å
66K98.3Very high96.4Very high41 Ų4155.8 Ų55.818%0.17830%0.296CS..Hα-helixtrans-60.6-48.5178.9-71.8172.7-176.91730110.9Y61 S62 D63 E64 G68 L69 I70 L167 P168 I173Y61-K66 WeakPolarHBondContact O-CE 3.42Å; S62-K66 WeakPolarHBondContact O-CG 3.4Å; S62-K66 PolarHBondContact O-N 2.8Å; D63-K66 IonicContact OD1-NZ 3.95Å; E64-K66 VanDerWaalsContact C-N 3.29Å; E64-K66 PolarHBondContact O-N 2.96Å; K66-G68 VanDerWaalsContact C-N 3.29Å; K66-G68 PolarHBondContact O-N 3Å; K66-L69 PolarHBondContact O-N 3.15Å; K66-I70 PolarHBondContact O-N 2.86Å; K66-L167 HydrophobicContact CB-CD1 3.55Å; K66-L167 HydrophobicContact CB-CD2 4.45Å; K66-L167 HydrophobicContact CB-CG 3.85Å; K66-L167 HydrophobicContact CD-CD1 4.49Å; K66-L167 HydrophobicContact CD-CD2 3.87Å; K66-L167 HydrophobicContact CD-CG 3.98Å; K66-P168 WeakPolarHBondContact CD-O 3.26Å; K66-P168 WeakPolarHBondContact O-CD 3.43Å; K66-P168 VanDerWaalsContact O-CG 3.27Å; K66-P168 WeakPolarHBondContact O-CG 3.37Å; K66-I173 HydrophobicContact CG-CD1 3.88Å
67R97.3Very high96.6Very high147 Ų14754.8 Ų54.856%0.55529%0.291SS*.Hα-helixtrans-59.1-40.1176.5-74.2179.3-162.2109.85.1112.1D63 E64 L69 I70 L167D63-R67 WeakPolarHBondContact O-CB 3.33Å; D63-R67 VanDerWaalsContact O-CG 3.26Å; D63-R67 WeakPolarHBondContact O-CG 3.3Å; D63-R67 PolarHBondContact O-N 2.82Å; E64-R67 PolarHBondContact O-N 2.71Å; R67-L69 PolarHBondContact O-N 3.42Å; R67-L69 VanDerWaalsContact O-N 3.14Å; R67-I70 HydrophobicContact CB-CD1 4.33Å; R67-I70 HydrophobicContact CG-CD1 4.28Å; R67-I70 WeakPolarHBondContact O-CB 3.46Å; R67-I70 PolarHBondContact O-N 3.03Å; R67-L167 HydrophobicContact CG-CD1 3.73Å
68G96.4Very high96.8Very high56 Ų5652.3 Ų52.358%0.57728%0.279SS*.Hα-helixtrans-60.3-21.3176.300000114.4E64 D65 K66E64-G68 PolarHBondContact O-N 3.01Å; D65-G68 PolarHBondContact O-N 3.02Å; K66-G68 VanDerWaalsContact C-N 3.29Å; K66-G68 PolarHBondContact O-N 3Å
69L97Very high97.1Very high35 Ų3555.4 Ų55.418%0.18329%0.286CS..Hα-helixtrans-94.9-12.6179.9-69.2172.1000114.4D65 K66 R67 R71 R72 V73 P168 I173 V176D65-L69 PolarHBondContact O-N 3.23Å; K66-L69 PolarHBondContact O-N 3.15Å; R67-L69 PolarHBondContact O-N 3.42Å; R67-L69 VanDerWaalsContact O-N 3.14Å; L69-R71 VanDerWaalsContact C-N 3.32Å; L69-R71 PolarHBondContact O-N 2.86Å; L69-R72 HydrophobicContact CD2-CG 4.46Å; L69-R72 WeakPolarHBondContact O-CA 3.33Å; L69-R72 WeakPolarHBondContact O-CB 3.45Å; L69-R72 PolarHBondContact O-N 3.28Å; L69-V73 PolarHBondContact O-N 3.23Å; L69-P168 HydrophobicContact CB-CG 4.44Å; L69-I173 HydrophobicContact CD1-CB 4.26Å; L69-I173 HydrophobicContact CD1-CD1 4.38Å; L69-I173 HydrophobicContact CD1-CG1 3.75Å; L69-I173 HydrophobicContact CD1-CG2 3.82Å; L69-V176 HydrophobicContact CD2-CG1 4.27Å
70I97.3Very high97.3Very high41 Ų4149.8 Ų49.821%0.2125%0.247CC..Hα-helixtrans-50.8-52.7-179.7-70.7170.9000110.8K66 R67 R72 V73 H74 Y166 P168K66-I70 PolarHBondContact O-N 2.86Å; R67-I70 HydrophobicContact CB-CD1 4.33Å; R67-I70 HydrophobicContact CG-CD1 4.28Å; R67-I70 WeakPolarHBondContact O-CB 3.46Å; R67-I70 PolarHBondContact O-N 3.03Å; I70-R72 VanDerWaalsContact C-N 3.27Å; I70-R72 PolarHBondContact O-N 2.73Å; I70-V73 WeakPolarHBondContact O-CB 3.32Å; I70-V73 PolarHBondContact O-N 2.74Å; I70-V73 VanDerWaalsContact O-N 3.14Å; I70-H74 WeakPolarHBondContact CG2-CE1 3.28Å; I70-H74 PolarHBondContact O-CD2 2.93Å; I70-H74 PolarHBondContact O-N 3.2Å; I70-H74 VanDerWaalsContact O-N 3.09Å; I70-Y166 WeakPolarHBondContact CD1-O 3.37Å; I70-Y166 HydrophobicContact CG1-CD1 4.36Å; I70-Y166 HydrophobicContact CG1-CE1 4.4Å; I70-Y166 HydrophobicContact CG2-CD1 4.32Å; I70-P168 VanDerWaalsContact CG1-CD 3.49Å; I70-P168 HydrophobicContact CG1-CG 3.82Å
71R96.6Very high97.5Very high102 Ų10249.4 Ų49.439%0.38524%0.244SC..Hα-helixtrans-56.9-41.1178.7-179.2177.4170.6-133.91.1112L69 V73 H74 Q75 E113 V115L69-R71 VanDerWaalsContact C-N 3.32Å; L69-R71 PolarHBondContact O-N 2.86Å; R71-V73 VanDerWaalsContact C-N 3.35Å; R71-V73 PolarHBondContact O-N 3.22Å; R71-H74 PolarHBondContact O-N 3.14Å; R71-Q75 HydrophobicContact CG-CG 4.4Å; R71-Q75 VanDerWaalsContact O-CG 3.26Å; R71-Q75 WeakPolarHBondContact O-CG 3.37Å; R71-Q75 PolarHBondContact O-N 3.41Å; R71-E113 PolarHBondContact NH2-O 2.86Å; R71-V115 WeakPolarHBondContact CG-O 3.35Å; R71-V115 PolarHBondContact NE-O 3.05Å
72R97.1Very high97.6Very high102 Ų10248.8 Ų48.839%0.38524%0.242SC..Hα-helixtrans-67-36.8-179-62.8-54.4-169.8173.94.3112.1L69 I70 Q75 N76 V176 V178L69-R72 HydrophobicContact CD2-CG 4.46Å; L69-R72 WeakPolarHBondContact O-CA 3.33Å; L69-R72 WeakPolarHBondContact O-CB 3.45Å; L69-R72 PolarHBondContact O-N 3.28Å; I70-R72 VanDerWaalsContact C-N 3.27Å; I70-R72 PolarHBondContact O-N 2.73Å; R72-Q75 VanDerWaalsContact CD-OE1 3.24Å; R72-Q75 PolarHBondContact O-N 3.28Å; R72-N76 WeakPolarHBondContact O-CB 3.31Å; R72-N76 PolarHBondContact O-N 3.2Å; R72-N76 PolarHBondContact O-ND2 2.93Å; R72-V176 HydrophobicContact CB-CG2 3.66Å; R72-V178 HydrophobicContact CG-CG2 4.42Å
73V97.8Very high97.6Very high1 Ų146.7 Ų46.71%0.00623%0.228CC..Hα-helixtrans-61.5-48.8172.9173.80000110.3L69 I70 R71 Q75 N76 I77 Y154 I161 Y166 D172 V176L69-V73 PolarHBondContact O-N 3.23Å; I70-V73 WeakPolarHBondContact O-CB 3.32Å; I70-V73 PolarHBondContact O-N 2.74Å; I70-V73 VanDerWaalsContact O-N 3.14Å; R71-V73 VanDerWaalsContact C-N 3.35Å; R71-V73 PolarHBondContact O-N 3.22Å; V73-Q75 PolarHBondContact O-N 3.14Å; V73-N76 WeakPolarHBondContact O-CB 3.19Å; V73-N76 PolarHBondContact O-N 2.9Å; V73-N76 VanDerWaalsContact O-N 3.14Å; V73-I77 HydrophobicContact CG1-CD1 4.2Å; V73-I77 WeakPolarHBondContact O-CG1 3.32Å; V73-I77 PolarHBondContact O-N 2.97Å; V73-I77 VanDerWaalsContact O-N 3.07Å; V73-Y154 HydrophobicContact CG1-CD1 3.9Å; V73-Y154 HydrophobicContact CG1-CE1 3.64Å; V73-Y154 HydrophobicContact CG2-CE1 4.31Å; V73-I161 HydrophobicContact CG1-CD1 4.43Å; V73-I161 HydrophobicContact CG1-CG2 4.07Å; V73-Y166 HydrophobicContact CG1-CE1 4.36Å; V73-D172 HydrophobicContact CG2-CB 4.48Å; V73-V176 HydrophobicContact CG2-CB 4.32Å; V73-V176 HydrophobicContact CG2-CG2 4.16Å
74H97.6Very high97.7Very high13 Ų1343 Ų436%0.0621%0.208CC..Hα-helixtrans-58.7-46.7177.7-57.4168.1000111.8I70 R71 N76 I77 F78 V115 F118I70-H74 WeakPolarHBondContact CG2-CE1 3.28Å; I70-H74 PolarHBondContact O-CD2 2.93Å; I70-H74 PolarHBondContact O-N 3.2Å; I70-H74 VanDerWaalsContact O-N 3.09Å; R71-H74 PolarHBondContact O-N 3.14Å; H74-N76 VanDerWaalsContact C-N 3.3Å; H74-N76 PolarHBondContact O-N 3.2Å; H74-I77 WeakPolarHBondContact O-CB 3.49Å; H74-I77 PolarHBondContact O-N 3.11Å; H74-I77 VanDerWaalsContact O-N 3.11Å; H74-F78 WeakPolarHBondContact O-CD2 3.47Å; H74-F78 PolarHBondContact O-N 2.79Å; H74-V115 HydrophobicContact CB-CG1 4Å; H74-F118 HydrophobicContact CB-CB 4.27Å; H74-F118 AromaticContact CD2-CG 3.96Å; H74-F118 VanDerWaalsContact CE1-CB 3.46Å; H74-F118 WeakPolarHBondContact CE1-CB 3.5Å; H74-F118 WeakPolarHBondContact ND1-CB 3.25Å
75Q97.7Very high97.7Very high11 Ų1135.5 Ų35.55%0.05117%0.173CC..Hα-helixtrans-57-42.7176-70-177.1-37.200112.2R71 R72 V73 I77 F78 M79 C112 E113 V115R71-Q75 HydrophobicContact CG-CG 4.4Å; R71-Q75 VanDerWaalsContact O-CG 3.26Å; R71-Q75 WeakPolarHBondContact O-CG 3.37Å; R71-Q75 PolarHBondContact O-N 3.41Å; R72-Q75 VanDerWaalsContact CD-OE1 3.24Å; R72-Q75 PolarHBondContact O-N 3.28Å; V73-Q75 PolarHBondContact O-N 3.14Å; Q75-I77 VanDerWaalsContact C-N 3.32Å; Q75-I77 PolarHBondContact O-N 3.06Å; Q75-F78 PolarHBondContact O-N 3.36Å; Q75-M79 WeakPolarHBondContact O-CB 3.2Å; Q75-M79 WeakPolarHBondContact O-CG 3.25Å; Q75-M79 PolarHBondContact O-N 2.61Å; Q75-C112 VanDerWaalsContact CG-O 3.3Å; Q75-C112 WeakPolarHBondContact CG-O 3.18Å; Q75-C112 PolarHBondContact NE2-O 2.97Å; Q75-C112 VanDerWaalsContact NE2-O 3.14Å; Q75-E113 PolarHBondContact NE2-O 3.34Å; Q75-V115 HydrophobicContact CG-CB 4.16Å
76N97.8Very high97.8Very high10 Ų1038.5 Ų38.55%0.05318%0.18CC..Hα-helixtrans-62.2-39177.3-86.9-129.9000111.9R72 V73 H74 M79 A80 Y154 R177R72-N76 WeakPolarHBondContact O-CB 3.31Å; R72-N76 PolarHBondContact O-N 3.2Å; R72-N76 PolarHBondContact O-ND2 2.93Å; V73-N76 WeakPolarHBondContact O-CB 3.19Å; V73-N76 PolarHBondContact O-N 2.9Å; V73-N76 VanDerWaalsContact O-N 3.14Å; H74-N76 VanDerWaalsContact C-N 3.3Å; H74-N76 PolarHBondContact O-N 3.2Å; N76-M79 PolarHBondContact O-N 2.81Å; N76-A80 WeakPolarHBondContact O-CB 3.43Å; N76-A80 PolarHBondContact O-N 3.37Å; N76-Y154 HydrophobicContact CB-CE2 4.35Å; N76-R177 PolarHBondContact ND2-O 3.1Å; N76-R177 VanDerWaalsContact ND2-O 3.1Å; N76-R177 VanDerWaalsContact OD1-CB 3.26Å; N76-R177 WeakPolarHBondContact OD1-CB 3.44Å; N76-R177 PolarHBondContact OD1-N 2.76Å
77I98.3Very high97.8Very high1 Ų136.8 Ų36.81%0.00517%0.173CC..Hα-helixtrans-63.3-50.4176.3-67.7167000110.9V73 H74 Q75 M79 A80 I81 F118 I126 Y154 L155 I161V73-I77 HydrophobicContact CG1-CD1 4.2Å; V73-I77 WeakPolarHBondContact O-CG1 3.32Å; V73-I77 PolarHBondContact O-N 2.97Å; V73-I77 VanDerWaalsContact O-N 3.07Å; H74-I77 WeakPolarHBondContact O-CB 3.49Å; H74-I77 PolarHBondContact O-N 3.11Å; H74-I77 VanDerWaalsContact O-N 3.11Å; Q75-I77 VanDerWaalsContact C-N 3.32Å; Q75-I77 PolarHBondContact O-N 3.06Å; I77-M79 VanDerWaalsContact C-N 3.35Å; I77-M79 PolarHBondContact O-N 3.22Å; I77-A80 PolarHBondContact O-N 3.16Å; I77-I81 PolarHBondContact O-N 2.94Å; I77-F118 HydrophobicContact CD1-CE1 4.32Å; I77-F118 HydrophobicContact CD1-CZ 4.14Å; I77-F118 HydrophobicContact CG2-CE2 3.97Å; I77-F118 HydrophobicContact CG2-CZ 3.96Å; I77-I126 HydrophobicContact CG2-CD1 4.28Å; I77-I126 HydrophobicContact CG2-CG2 4.05Å; I77-Y154 HydrophobicContact CG1-CG 4.21Å; I77-L155 HydrophobicContact CG2-CD2 4.04Å; I77-I161 HydrophobicContact CD1-CD1 3.98Å; I77-I161 HydrophobicContact CD1-CG2 3.8Å
78F98Very high97.8Very high4 Ų429.9 Ų29.92%0.01815%0.147CC..Hα-helixtrans-60.1-44.4177.3-81.4-78.5000111.7H74 Q75 A80 I81 Q82 I107 I110 C112 V115 F118 Y122 I126H74-F78 WeakPolarHBondContact O-CD2 3.47Å; H74-F78 PolarHBondContact O-N 2.79Å; Q75-F78 PolarHBondContact O-N 3.36Å; F78-A80 VanDerWaalsContact C-N 3.31Å; F78-A80 PolarHBondContact O-N 2.83Å; F78-I81 VanDerWaalsContact O-CG2 3.31Å; F78-I81 WeakPolarHBondContact O-CG2 3.45Å; F78-I81 PolarHBondContact O-N 3.2Å; F78-Q82 VanDerWaalsContact O-CB 3.23Å; F78-Q82 WeakPolarHBondContact O-CB 3.23Å; F78-Q82 WeakPolarHBondContact O-CG 3.42Å; F78-Q82 PolarHBondContact O-N 3.27Å; F78-I107 HydrophobicContact CD1-CG2 4.46Å; F78-I107 HydrophobicContact CE1-CD1 4.06Å; F78-I110 HydrophobicContact CD1-CD1 4.08Å; F78-I110 HydrophobicContact CD1-CG2 4.3Å; F78-I110 HydrophobicContact CE1-CD1 3.45Å; F78-I110 VanDerWaalsContact CE1-CD1 3.45Å; F78-I110 HydrophobicContact CE1-CG2 4.35Å; F78-I110 HydrophobicContact CZ-CD1 4.25Å; F78-C112 VanDerWaalsContact CB-SG 3.58Å; F78-V115 HydrophobicContact CD2-CB 4.34Å; F78-V115 HydrophobicContact CD2-CG1 3.76Å; F78-V115 HydrophobicContact CD2-CG2 3.71Å; F78-V115 HydrophobicContact CE2-CG1 3.67Å; F78-V115 HydrophobicContact CE2-CG2 3.96Å; F78-V115 HydrophobicContact CG-CG2 4.12Å; F78-F118 AromaticContact CE2-CD2 3.74Å; F78-F118 HydrophobicContact CE2-CD2 3.74Å; F78-F118 HydrophobicContact CE2-CE2 4.14Å; F78-F118 HydrophobicContact CZ-CD2 4.22Å; F78-F118 HydrophobicContact CZ-CE2 4.45Å; F78-Y122 HydrophobicContact CZ-CG 4.34Å; F78-I126 HydrophobicContact CD1-CD1 3.92Å; F78-I126 HydrophobicContact CE1-CD1 3.65Å; F78-I126 HydrophobicContact CG-CD1 4.46Å; F78-I126 HydrophobicContact CZ-CD1 3.99Å
79M97.4Very high97.9Very high97 Ų9731.3 Ų31.348%0.47814%0.142SC..Hα-helixtrans-60.8-41.3177.4-71.6171.668.700112Q75 N76 I77 A83 C112Q75-M79 WeakPolarHBondContact O-CB 3.2Å; Q75-M79 WeakPolarHBondContact O-CG 3.25Å; Q75-M79 PolarHBondContact O-N 2.61Å; N76-M79 PolarHBondContact O-N 2.81Å; I77-M79 VanDerWaalsContact C-N 3.35Å; I77-M79 PolarHBondContact O-N 3.22Å; M79-A83 VanDerWaalsContact O-CB 3.32Å; M79-A83 WeakPolarHBondContact O-CB 3.39Å; M79-A83 PolarHBondContact O-N 3.41Å; M79-C112 HydrophobicContact CG-CB 3.82Å
80A98.3Very high97.9Very high3 Ų335 Ų353%0.02517%0.166CC..Hα-helixtrans-64.9-50.9179.300000112N76 I77 F78 Q82 A83 M84 L147 A151N76-A80 WeakPolarHBondContact O-CB 3.43Å; N76-A80 PolarHBondContact O-N 3.37Å; I77-A80 PolarHBondContact O-N 3.16Å; F78-A80 VanDerWaalsContact C-N 3.31Å; F78-A80 PolarHBondContact O-N 2.83Å; A80-Q82 VanDerWaalsContact C-N 3.35Å; A80-Q82 PolarHBondContact O-N 3.39Å; A80-A83 WeakPolarHBondContact O-CB 3.35Å; A80-A83 PolarHBondContact O-N 3.46Å; A80-M84 PolarHBondContact O-N 2.97Å; A80-M84 VanDerWaalsContact O-N 3.15Å; A80-L147 HydrophobicContact CB-CD1 4.19Å; A80-A151 HydrophobicContact CB-CB 3.76Å
81I98.4Very high97.9Very high0 Ų034.6 Ų34.60%016%0.164CC..Hα-helixtrans-66.1-38.9-179.9-164.560.7000111.3I77 F78 A83 M84 I85 I107 I126 L129 I135I77-I81 PolarHBondContact O-N 2.94Å; F78-I81 VanDerWaalsContact O-CG2 3.31Å; F78-I81 WeakPolarHBondContact O-CG2 3.45Å; F78-I81 PolarHBondContact O-N 3.2Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 3.36Å; I81-M84 HydrophobicContact CD1-CE 3.68Å; I81-M84 PolarHBondContact O-N 3.27Å; I81-I85 HydrophobicContact CG1-CD1 4.13Å; I81-I85 WeakPolarHBondContact O-CB 3.49Å; I81-I85 VanDerWaalsContact O-CG1 3.22Å; I81-I85 WeakPolarHBondContact O-CG1 3.42Å; I81-I85 PolarHBondContact O-N 2.96Å; I81-I107 HydrophobicContact CG2-CG2 3.6Å; I81-I126 HydrophobicContact CB-CG2 4.38Å; I81-I126 HydrophobicContact CG1-CG2 4.29Å; I81-I126 HydrophobicContact CG2-CD1 4.37Å; I81-I126 HydrophobicContact CG2-CG1 4.16Å; I81-I126 HydrophobicContact CG2-CG2 4.48Å; I81-L129 HydrophobicContact CD1-CB 3.91Å; I81-L129 HydrophobicContact CG1-CB 4.29Å; I81-L129 HydrophobicContact CG1-CD1 4.25Å; I81-I135 HydrophobicContact CD1-CG2 4.28Å
82Q98.3Very high98Very high13 Ų1338.5 Ų38.56%0.06118%0.184CC..Hα-helixtrans-65.3-35.2175.4-73.6-176.2-6.500112.8F78 A80 I85 R86 I107 I110 C112F78-Q82 VanDerWaalsContact O-CB 3.23Å; F78-Q82 WeakPolarHBondContact O-CB 3.23Å; F78-Q82 WeakPolarHBondContact O-CG 3.42Å; F78-Q82 PolarHBondContact O-N 3.27Å; A80-Q82 VanDerWaalsContact C-N 3.35Å; A80-Q82 PolarHBondContact O-N 3.39Å; Q82-I85 PolarHBondContact O-N 3.34Å; Q82-R86 WeakPolarHBondContact O-CG 3.37Å; Q82-R86 PolarHBondContact O-N 2.91Å; Q82-I107 HydrophobicContact CG-CG2 4.2Å; Q82-I107 PolarHBondContact NE2-O 3.33Å; Q82-I110 PolarHBondContact NE2-O 2.99Å; Q82-C112 VanDerWaalsContact CD-SG 3.52Å; Q82-C112 PolarHBondContact OE1-SG 3.42Å
83A98.2Very high98Very high13 Ų1334.1 Ų34.111%0.10717%0.169CC..Hα-helixtrans-62.7-44.9174.100000111.2M79 A80 I81 R86 A87 L147M79-A83 VanDerWaalsContact O-CB 3.32Å; M79-A83 WeakPolarHBondContact O-CB 3.39Å; M79-A83 PolarHBondContact O-N 3.41Å; A80-A83 WeakPolarHBondContact O-CB 3.35Å; A80-A83 PolarHBondContact O-N 3.46Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 3.36Å; A83-R86 PolarHBondContact O-N 3.2Å; A83-A87 WeakPolarHBondContact O-CB 3.49Å; A83-A87 PolarHBondContact O-N 3.28Å; A83-L147 HydrophobicContact CB-CD1 4.09Å
84M98.7Very high98Very high0 Ų038.8 Ų38.80%020%0.199CC..Hα-helixtrans-65.9-42.2176.2-64.7-170.6-6700112.1A80 I81 R86 A87 M88 W130 I135 V138 Y139 Y145 L147 L155A80-M84 PolarHBondContact O-N 2.97Å; A80-M84 VanDerWaalsContact O-N 3.15Å; I81-M84 HydrophobicContact CD1-CE 3.68Å; I81-M84 PolarHBondContact O-N 3.27Å; M84-R86 VanDerWaalsContact C-N 3.29Å; M84-R86 PolarHBondContact O-N 2.99Å; M84-A87 CarbonylContact O-C 3.58Å; M84-A87 WeakPolarHBondContact O-CA 3.43Å; M84-A87 WeakPolarHBondContact O-CB 3.29Å; M84-A87 PolarHBondContact O-N 3.06Å; M84-M88 WeakPolarHBondContact O-CG 3.14Å; M84-M88 PolarHBondContact O-N 3.03Å; M84-W130 HydrophobicContact CE-CE3 3.85Å; M84-W130 HydrophobicContact CE-CZ3 3.87Å; M84-W130 HydrophobicContact SD-CE3 4.44Å; M84-W130 HydrophobicContact SD-CZ3 3.94Å; M84-I135 HydrophobicContact CB-CD1 4.32Å; M84-I135 HydrophobicContact CB-CG2 4.5Å; M84-I135 HydrophobicContact CE-CG2 3.99Å; M84-I135 HydrophobicContact SD-CG2 4.17Å; M84-V138 HydrophobicContact CB-CG2 4.02Å; M84-Y139 HydrophobicContact SD-CD2 3.97Å; M84-Y139 HydrophobicContact SD-CG 4.42Å; M84-Y145 HydrophobicContact CG-CE2 4.3Å; M84-L147 HydrophobicContact CG-CD1 4.05Å; M84-L147 HydrophobicContact CG-CD2 4.21Å; M84-L147 HydrophobicContact SD-CD2 4.18Å; M84-L155 HydrophobicContact CE-CD1 3.39Å
85I98.6Very high98.1Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-58.2-38.9174.4-72.4165.6000111.7I81 Q82 M88 A104 I107 R108 L129 I135I81-I85 HydrophobicContact CG1-CD1 4.13Å; I81-I85 WeakPolarHBondContact O-CB 3.49Å; I81-I85 VanDerWaalsContact O-CG1 3.22Å; I81-I85 WeakPolarHBondContact O-CG1 3.42Å; I81-I85 PolarHBondContact O-N 2.96Å; Q82-I85 PolarHBondContact O-N 3.34Å; I85-M88 WeakPolarHBondContact O-CB 3.47Å; I85-A104 HydrophobicContact CD1-CB 4.06Å; I85-A104 HydrophobicContact CG1-CB 4.08Å; I85-A104 HydrophobicContact CG2-CB 4.19Å; I85-I107 HydrophobicContact CD1-CB 4.1Å; I85-I107 HydrophobicContact CD1-CG2 3.82Å; I85-R108 HydrophobicContact CG2-CB 4.18Å; I85-R108 HydrophobicContact CG2-CG 4.39Å; I85-R108 PolarHBondContact O-NH2 2.76Å; I85-L129 HydrophobicContact CD1-CD1 4.09Å; I85-I135 HydrophobicContact CG1-CD1 4.22Å
86R98.2Very high98.1Very high119 Ų11941.6 Ų41.645%0.44922%0.224SC..Hα-helixtrans-71.9-35174.4-73.5-175.9-66.8-94.6-1.4112.1Q82 A83 M84 M88 D89 T90Q82-R86 WeakPolarHBondContact O-CG 3.37Å; Q82-R86 PolarHBondContact O-N 2.91Å; A83-R86 PolarHBondContact O-N 3.2Å; M84-R86 VanDerWaalsContact C-N 3.29Å; M84-R86 PolarHBondContact O-N 2.99Å; R86-M88 VanDerWaalsContact C-N 3.32Å; R86-D89 PolarHBondContact O-N 3.16Å; R86-T90 PolarHBondContact O-N 3.22Å; R86-T90 PolarHBondContact O-OG1 3.27Å
87A98.3Very high98.1Very high4 Ų444.7 Ų44.73%0.03324%0.24CC..Hα-helixtrans-65.1-35.4175.600000111.9A83 M84 D89 T90 L91 V138 Y145A83-A87 WeakPolarHBondContact O-CB 3.49Å; A83-A87 PolarHBondContact O-N 3.28Å; M84-A87 CarbonylContact O-C 3.58Å; M84-A87 WeakPolarHBondContact O-CA 3.43Å; M84-A87 WeakPolarHBondContact O-CB 3.29Å; M84-A87 PolarHBondContact O-N 3.06Å; A87-D89 VanDerWaalsContact C-N 3.31Å; A87-D89 PolarHBondContact O-N 2.93Å; A87-T90 PolarHBondContact O-N 3.13Å; A87-L91 HydrophobicContact CB-CD1 4.4Å; A87-L91 VanDerWaalsContact O-CB 3.26Å; A87-L91 WeakPolarHBondContact O-CB 3.48Å; A87-L91 VanDerWaalsContact O-CG 3.27Å; A87-L91 WeakPolarHBondContact O-CG 3.4Å; A87-L91 PolarHBondContact O-N 3.49Å; A87-V138 HydrophobicContact CB-CB 4.35Å; A87-Y145 HydrophobicContact CB-CD1 3.59Å; A87-Y145 HydrophobicContact CB-CD2 3.79Å; A87-Y145 HydrophobicContact CB-CE1 3.58Å; A87-Y145 HydrophobicContact CB-CE2 3.79Å; A87-Y145 HydrophobicContact CB-CG 3.7Å
88M98.3Very high98Very high2 Ų249.2 Ų49.21%0.0127%0.27CS..Hα-helixtrans-51.6-49.4172-68.6-74.5-76.800111.7M84 I85 R86 K92 V93 P94 Y95 I135 V138M84-M88 WeakPolarHBondContact O-CG 3.14Å; M84-M88 PolarHBondContact O-N 3.03Å; I85-M88 WeakPolarHBondContact O-CB 3.47Å; R86-M88 VanDerWaalsContact C-N 3.32Å; M88-K92 WeakPolarHBondContact O-CA 3.31Å; M88-K92 PolarHBondContact O-N 3.32Å; M88-V93 HydrophobicContact CE-CB 4.35Å; M88-V93 HydrophobicContact CE-CG1 4.12Å; M88-V93 WeakPolarHBondContact CE-O 3.47Å; M88-V93 PolarHBondContact O-N 3.27Å; M88-V93 HydrophobicContact SD-CB 3.82Å; M88-V93 HydrophobicContact SD-CG1 3.8Å; M88-P94 WeakPolarHBondContact CE-O 3.36Å; M88-Y95 HydrophobicContact CE-CD1 3.8Å; M88-Y95 HydrophobicContact CE-CD2 4.22Å; M88-Y95 HydrophobicContact CE-CE1 3.94Å; M88-Y95 HydrophobicContact CE-CE2 4.35Å; M88-Y95 HydrophobicContact CE-CG 3.94Å; M88-I135 HydrophobicContact CG-CD1 3.8Å; M88-I135 HydrophobicContact SD-CD1 4.23Å; M88-V138 HydrophobicContact CG-CG1 4.13Å; M88-V138 HydrophobicContact CG-CG2 4.09Å; M88-V138 HydrophobicContact SD-CB 4.36Å; M88-V138 HydrophobicContact SD-CG1 3.53Å; M88-V138 VanDerWaalsContact SD-CG1 3.53Å; M88-V138 HydrophobicContact SD-CG2 3.86Å
89D97.1Very high98Very high86 Ų8651.4 Ų51.446%0.4629%0.288SS..Hα-helixtrans-64-44.4179.5-60.9-4.7000111.6R86 A87 K92 R108R86-D89 PolarHBondContact O-N 3.16Å; A87-D89 VanDerWaalsContact C-N 3.31Å; A87-D89 PolarHBondContact O-N 2.93Å; D89-K92 PolarHBondContact O-N 3.35Å; D89-R108 IonicContact OD1-CZ 3.66Å; D89-R108 IonicContact OD1-NH1 2.84Å; D89-R108 IonicContact OD1-NH2 3.31Å; D89-R108 PolarHBondContact OD1-NH2 2.71Å; D89-R108 IonicContact OD2-CZ 3.67Å; D89-R108 IonicContact OD2-NH1 3.09Å; D89-R108 PolarHBondContact OD2-NH1 3.17Å; D89-R108 IonicContact OD2-NH2 2.8Å; D89-R108 PolarHBondContact OD2-NH2 3.18Å
90T97.1Very high98Very high114 Ų11447 Ų4770%0.69927%0.267SS*.Hα-helixtrans-69.6-42.1-175.7-59.60000111.4R86 A87 K92R86-T90 PolarHBondContact O-N 3.22Å; R86-T90 PolarHBondContact O-OG1 3.27Å; A87-T90 PolarHBondContact O-N 3.13Å; T90-K92 VanDerWaalsContact C-N 3.31Å
91L97.9Very high98Very high32 Ų3252.4 Ų52.417%0.16829%0.292CS..Hα-helixtrans-86.8-3.8-178.8-57.3-178.6000112.7A87 V93 V138 R141 E144 Y145A87-L91 HydrophobicContact CB-CD1 4.4Å; A87-L91 VanDerWaalsContact O-CB 3.26Å; A87-L91 WeakPolarHBondContact O-CB 3.48Å; A87-L91 VanDerWaalsContact O-CG 3.27Å; A87-L91 WeakPolarHBondContact O-CG 3.4Å; A87-L91 PolarHBondContact O-N 3.49Å; L91-V93 VanDerWaalsContact C-N 3.29Å; L91-V93 HydrophobicContact CB-CG2 4Å; L91-V93 PolarHBondContact O-N 2.9Å; L91-V138 HydrophobicContact CD1-CB 4.4Å; L91-V138 HydrophobicContact CD1-CG1 4.08Å; L91-R141 HydrophobicContact CD1-CB 4.12Å; L91-E144 HydrophobicContact CD2-CB 4.34Å; L91-E144 WeakPolarHBondContact CD2-OE2 3.4Å; L91-Y145 HydrophobicContact CD1-CD1 4.25Å; L91-Y145 HydrophobicContact CD1-CE1 4.32Å
92K98.1Very high98Very high184 Ų18459.2 Ų59.280%0.832%0.323SS*.THydrogen-bonded Turntrans5641.2-179.8-56.9-179.8179.9177.70113M88 D89 T90M88-K92 WeakPolarHBondContact O-CA 3.31Å; M88-K92 PolarHBondContact O-N 3.32Å; D89-K92 PolarHBondContact O-N 3.35Å; T90-K92 VanDerWaalsContact C-N 3.31Å
93V98.3Very high98Very high10 Ų1060.1 Ų60.16%0.06133%0.327CS..PPolyproline II helixtrans-92.5122.7176.9-179.60000108.3M88 L91 E137 V138M88-V93 HydrophobicContact CE-CB 4.35Å; M88-V93 HydrophobicContact CE-CG1 4.12Å; M88-V93 WeakPolarHBondContact CE-O 3.47Å; M88-V93 PolarHBondContact O-N 3.27Å; M88-V93 HydrophobicContact SD-CB 3.82Å; M88-V93 HydrophobicContact SD-CG1 3.8Å; L91-V93 VanDerWaalsContact C-N 3.29Å; L91-V93 HydrophobicContact CB-CG2 4Å; L91-V93 PolarHBondContact O-N 2.9Å; V93-E137 HydrophobicContact CG1-CB 4.21Å; V93-E137 HydrophobicContact CG1-CG 4.36Å; V93-E137 WeakPolarHBondContact CG2-OE1 3.4Å; V93-V138 HydrophobicContact CB-CG1 3.88Å; V93-V138 HydrophobicContact CG1-CG1 4.28Å; V93-V138 HydrophobicContact CG2-CG1 3.76Å
94P97.9Very high98Very high99 Ų9959.5 Ų59.564%0.64332%0.322SS*.PPolyproline II helixtrans-76.5153.2176.432-34.4000111.3M88M88-P94 WeakPolarHBondContact CE-O 3.36Å
95Y98.5Very high98Very high35 Ų3563.2 Ų63.214%0.13735%0.348CS..PPolyproline II helixtrans-63.6143.3170.7-66.1-85.6000110.6M88 D97 N100 E101 A104 L129 I135M88-Y95 HydrophobicContact CE-CD1 3.8Å; M88-Y95 HydrophobicContact CE-CD2 4.22Å; M88-Y95 HydrophobicContact CE-CE1 3.94Å; M88-Y95 HydrophobicContact CE-CE2 4.35Å; M88-Y95 HydrophobicContact CE-CG 3.94Å; Y95-D97 VanDerWaalsContact C-N 3.34Å; Y95-D97 WeakPolarHBondContact CB-O 3.41Å; Y95-N100 HydrophobicContact CD1-CB 3.91Å; Y95-N100 HydrophobicContact CG-CB 4.35Å; Y95-E101 HydrophobicContact CD2-CB 4.35Å; Y95-E101 HydrophobicContact CD2-CG 3.37Å; Y95-E101 HydrophobicContact CE2-CG 3.88Å; Y95-E101 HydrophobicContact CG-CG 4.16Å; Y95-A104 HydrophobicContact CE1-CB 3.78Å; Y95-A104 HydrophobicContact CE2-CB 4.44Å; Y95-A104 WeakPolarHBondContact OH-CB 3.44Å; Y95-L129 HydrophobicContact CD1-CD2 4.36Å; Y95-L129 HydrophobicContact CE1-CD2 3.93Å; Y95-I135 HydrophobicContact CE1-CD1 4.21Å; Y95-I135 HydrophobicContact CE1-CG1 4.36Å
96G98Very high97.9Very high48 Ų4866 Ų6650%0.49536%0.362SS..SBendtrans-68.6-35.2174.700000112.4D132G96-D132 VanDerWaalsContact N-CG 3.33Å; G96-D132 PolarHBondContact N-OD1 3.14Å; G96-D132 PolarHBondContact N-OD2 3.28Å
97D98.1Very high97.9Very high74 Ų7460.3 Ų60.340%0.39634%0.341SS..SBendtrans-114.6119.7170.9-179.8-0.8000110.1Y95 A99 N100 D132Y95-D97 VanDerWaalsContact C-N 3.34Å; Y95-D97 WeakPolarHBondContact CB-O 3.41Å; D97-A99 PolarHBondContact O-N 2.89Å; D97-A99 VanDerWaalsContact O-N 3.11Å; D97-A99 WeakPolarHBondContact OD1-CB 3.28Å; D97-A99 PolarHBondContact OD1-N 2.58Å; D97-N100 VanDerWaalsContact O-CB 3.31Å; D97-N100 WeakPolarHBondContact O-CB 3.32Å; D97-N100 PolarHBondContact O-N 2.87Å; D97-D132 PolarHBondContact N-OD2 3.2Å
98P97.1Very high97.9Very high96 Ų9664.4 Ų64.462%0.62336%0.355SS*.THydrogen-bonded Turntrans-54.4-28.4176.2-26.835.2000114.5N100 E101P98-N100 PolarHBondContact O-N 2.86Å; P98-E101 WeakPolarHBondContact O-CB 3.3Å; P98-E101 PolarHBondContact O-N 2.82Å
99A97Very high97.8Very high50 Ų5068.4 Ų68.441%0.41339%0.389SS..Hα-helixtrans-65.2-20.5176.600000113D97 E101D97-A99 PolarHBondContact O-N 2.89Å; D97-A99 VanDerWaalsContact O-N 3.11Å; D97-A99 WeakPolarHBondContact OD1-CB 3.28Å; D97-A99 PolarHBondContact OD1-N 2.58Å; A99-E101 VanDerWaalsContact C-N 3.29Å; A99-E101 PolarHBondContact O-N 2.93Å
100N98.5Very high97.7Very high5 Ų565.8 Ų65.83%0.02738%0.375CS..Hα-helixtrans-75.6-15177.4-72.7-21.7000113.1Y95 D97 P98 K103 A104 L129 D132Y95-N100 HydrophobicContact CD1-CB 3.91Å; Y95-N100 HydrophobicContact CG-CB 4.35Å; D97-N100 VanDerWaalsContact O-CB 3.31Å; D97-N100 WeakPolarHBondContact O-CB 3.32Å; D97-N100 PolarHBondContact O-N 2.87Å; P98-N100 PolarHBondContact O-N 2.86Å; N100-K103 PolarHBondContact O-N 3.24Å; N100-K103 WeakPolarHBondContact OD1-CD 3.49Å; N100-K103 PolarHBondContact OD1-NZ 3.36Å; N100-A104 WeakPolarHBondContact O-CB 3.36Å; N100-A104 PolarHBondContact O-N 2.81Å; N100-L129 HydrophobicContact CB-CD2 3.88Å; N100-D132 WeakPolarHBondContact ND2-CB 3.23Å; N100-D132 PolarHBondContact ND2-OD2 3.06Å
101E97.9Very high97.6Very high116 Ų11664.6 Ų64.654%0.54236%0.364SS..Hα-helixtrans-60.5-45.7173.6-73.3-179-169.200111.7Y95 P98 A99 A104 S105Y95-E101 HydrophobicContact CD2-CB 4.35Å; Y95-E101 HydrophobicContact CD2-CG 3.37Å; Y95-E101 HydrophobicContact CE2-CG 3.88Å; Y95-E101 HydrophobicContact CG-CG 4.16Å; P98-E101 WeakPolarHBondContact O-CB 3.3Å; P98-E101 PolarHBondContact O-N 2.82Å; A99-E101 VanDerWaalsContact C-N 3.29Å; A99-E101 PolarHBondContact O-N 2.93Å; E101-A104 PolarHBondContact O-N 3.32Å; E101-S105 WeakPolarHBondContact O-CB 3.34Å; E101-S105 PolarHBondContact O-N 3Å
102E98.1Very high97.3Very high143 Ų14363.7 Ų63.767%0.66836%0.36SS*.Hα-helixtrans-66.3-46.1178.2-175.7175.7-16900111A104 S105 I106E102-A104 VanDerWaalsContact C-N 3.32Å; E102-A104 PolarHBondContact O-N 2.95Å; E102-S105 WeakPolarHBondContact O-CB 3.27Å; E102-S105 PolarHBondContact O-N 3.26Å; E102-I106 HydrophobicContact CG-CD1 4.23Å; E102-I106 WeakPolarHBondContact O-CG1 3.32Å; E102-I106 PolarHBondContact O-N 3.4Å
103K98.3Very high97Very high33 Ų3362.1 Ų62.114%0.14336%0.356CS..Hα-helixtrans-58.5-45.1176.7-59.6179.3-158.1163.30111.1N100 S105 I106 I107 Y125 D128 L129N100-K103 PolarHBondContact O-N 3.24Å; N100-K103 WeakPolarHBondContact OD1-CD 3.49Å; N100-K103 PolarHBondContact OD1-NZ 3.36Å; K103-S105 PolarHBondContact O-N 3.15Å; K103-I106 PolarHBondContact O-N 3.38Å; K103-I107 WeakPolarHBondContact O-CG1 3.49Å; K103-I107 PolarHBondContact O-N 3.46Å; K103-Y125 HydrophobicContact CB-CD1 4.31Å; K103-Y125 HydrophobicContact CB-CD2 4.27Å; K103-Y125 HydrophobicContact CB-CG 3.97Å; K103-Y125 HydrophobicContact CD-CD1 3.81Å; K103-Y125 HydrophobicContact CD-CE1 4.36Å; K103-Y125 HydrophobicContact CD-CG 4.25Å; K103-Y125 HydrophobicContact CG-CD1 3.75Å; K103-Y125 HydrophobicContact CG-CD2 4.39Å; K103-Y125 HydrophobicContact CG-CE1 4.06Å; K103-Y125 HydrophobicContact CG-CG 3.93Å; K103-D128 HydrophobicContact CD-CB 4.12Å; K103-D128 IonicContact NZ-OD2 2.81Å; K103-D128 PolarHBondContact NZ-OD2 2.96Å; K103-L129 HydrophobicContact CB-CD1 4.44Å; K103-L129 HydrophobicContact CB-CG 4.47Å
104A98.5Very high96.6Very high0 Ų065 Ų650%038%0.376CS..Hα-helixtrans-63.5-40.4177.400000112.2I85 Y95 N100 E101 E102 I107 R108 L129I85-A104 HydrophobicContact CD1-CB 4.06Å; I85-A104 HydrophobicContact CG1-CB 4.08Å; I85-A104 HydrophobicContact CG2-CB 4.19Å; Y95-A104 HydrophobicContact CE1-CB 3.78Å; Y95-A104 HydrophobicContact CE2-CB 4.44Å; Y95-A104 WeakPolarHBondContact OH-CB 3.44Å; N100-A104 WeakPolarHBondContact O-CB 3.36Å; N100-A104 PolarHBondContact O-N 2.81Å; E101-A104 PolarHBondContact O-N 3.32Å; E102-A104 VanDerWaalsContact C-N 3.32Å; E102-A104 PolarHBondContact O-N 2.95Å; A104-I107 PolarHBondContact O-N 2.94Å; A104-R108 WeakPolarHBondContact O-CB 3.46Å; A104-R108 PolarHBondContact O-N 3.14Å; A104-L129 HydrophobicContact CB-CD1 4.47Å; A104-L129 HydrophobicContact CB-CD2 3.85Å
105S98.1Very high96.3Very high78 Ų7860.8 Ų60.855%0.54535%0.349SS..Hα-helixtrans-59.4-46175.1-173.30000111.6E101 E102 K103 R108 A109E101-S105 WeakPolarHBondContact O-CB 3.34Å; E101-S105 PolarHBondContact O-N 3Å; E102-S105 WeakPolarHBondContact O-CB 3.27Å; E102-S105 PolarHBondContact O-N 3.26Å; K103-S105 PolarHBondContact O-N 3.15Å; S105-R108 PolarHBondContact O-N 3.16Å; S105-A109 PolarHBondContact O-N 3.34Å
106I97.6Very high95.8Very high58 Ų5863.9 Ų63.930%0.29737%0.371SS..Hα-helixtrans-62.2-49.4176.8-65.9167.5000110.8E102 K103 R108 A109 Y122 Y125E102-I106 HydrophobicContact CG-CD1 4.23Å; E102-I106 WeakPolarHBondContact O-CG1 3.32Å; E102-I106 PolarHBondContact O-N 3.4Å; K103-I106 PolarHBondContact O-N 3.38Å; I106-R108 VanDerWaalsContact C-N 3.34Å; I106-R108 PolarHBondContact O-N 3.29Å; I106-A109 PolarHBondContact O-N 3.06Å; I106-Y122 HydrophobicContact CG2-CE1 4.2Å; I106-Y125 HydrophobicContact CB-CD2 4.46Å; I106-Y125 HydrophobicContact CB-CE2 4.38Å; I106-Y125 HydrophobicContact CD1-CD2 4.48Å; I106-Y125 HydrophobicContact CD1-CE2 3.67Å; I106-Y125 HydrophobicContact CG2-CD2 4.25Å; I106-Y125 HydrophobicContact CG2-CE2 4.13Å
107I97.7Very high95.3Very high0 Ų064.5 Ų64.50%037%0.366CS..Hα-helixtrans-64.3-39.1-179.9-66.6-62.4000111.7F78 I81 Q82 I85 K103 A104 A109 I110 Y122 I126 L129F78-I107 HydrophobicContact CD1-CG2 4.46Å; F78-I107 HydrophobicContact CE1-CD1 4.06Å; I81-I107 HydrophobicContact CG2-CG2 3.6Å; Q82-I107 HydrophobicContact CG-CG2 4.2Å; Q82-I107 PolarHBondContact NE2-O 3.33Å; I85-I107 HydrophobicContact CD1-CB 4.1Å; I85-I107 HydrophobicContact CD1-CG2 3.82Å; K103-I107 WeakPolarHBondContact O-CG1 3.49Å; K103-I107 PolarHBondContact O-N 3.46Å; A104-I107 PolarHBondContact O-N 2.94Å; I107-A109 VanDerWaalsContact C-N 3.27Å; I107-A109 PolarHBondContact O-N 2.96Å; I107-I110 HydrophobicContact CD1-CD1 3.98Å; I107-I110 PolarHBondContact O-N 2.84Å; I107-Y122 HydrophobicContact CD1-CD1 4.01Å; I107-I126 HydrophobicContact CD1-CD1 4.14Å; I107-I126 HydrophobicContact CD1-CG1 3.75Å; I107-I126 HydrophobicContact CG1-CG1 4.23Å; I107-I126 HydrophobicContact CG2-CG1 4.48Å; I107-L129 HydrophobicContact CB-CD1 4.38Å; I107-L129 HydrophobicContact CG1-CD1 4.02Å
108R97Very high95.1Very high89 Ų8961.6 Ų61.634%0.33635%0.35SS..Hα-helixtrans-62.4-32.8177.9-175.1-174.4-65.7-167.6-7.8112.6I85 D89 A104 S105 I106 I110I85-R108 HydrophobicContact CG2-CB 4.18Å; I85-R108 HydrophobicContact CG2-CG 4.39Å; I85-R108 PolarHBondContact O-NH2 2.76Å; D89-R108 IonicContact OD1-CZ 3.66Å; D89-R108 IonicContact OD1-NH1 2.84Å; D89-R108 IonicContact OD1-NH2 3.31Å; D89-R108 PolarHBondContact OD1-NH2 2.71Å; D89-R108 IonicContact OD2-CZ 3.67Å; D89-R108 IonicContact OD2-NH1 3.09Å; D89-R108 PolarHBondContact OD2-NH1 3.17Å; D89-R108 IonicContact OD2-NH2 2.8Å; D89-R108 PolarHBondContact OD2-NH2 3.18Å; A104-R108 WeakPolarHBondContact O-CB 3.46Å; A104-R108 PolarHBondContact O-N 3.14Å; S105-R108 PolarHBondContact O-N 3.16Å; I106-R108 VanDerWaalsContact C-N 3.34Å; I106-R108 PolarHBondContact O-N 3.29Å; R108-I110 VanDerWaalsContact C-N 3.28Å; R108-I110 PolarHBondContact O-N 3.37Å
109A96.4Very high94.9Very high87 Ų8762.4 Ų62.472%0.71935%0.345SS*.THydrogen-bonded Turntrans-76.6-11.9-178.800000114S105 I106 I107 D111S105-A109 PolarHBondContact O-N 3.34Å; I106-A109 PolarHBondContact O-N 3.06Å; I107-A109 VanDerWaalsContact C-N 3.27Å; I107-A109 PolarHBondContact O-N 2.96Å; A109-D111 PolarHBondContact O-N 3.32Å
110I95.6Very high94.8Very high31 Ų3165.3 Ų65.316%0.15935%0.35CS..SBendtrans-73128.1-179.3-64.6168.4000109.9F78 Q82 I107 R108 C112 V115 Y122F78-I110 HydrophobicContact CD1-CD1 4.08Å; F78-I110 HydrophobicContact CD1-CG2 4.3Å; F78-I110 HydrophobicContact CE1-CD1 3.45Å; F78-I110 VanDerWaalsContact CE1-CD1 3.45Å; F78-I110 HydrophobicContact CE1-CG2 4.35Å; F78-I110 HydrophobicContact CZ-CD1 4.25Å; Q82-I110 PolarHBondContact NE2-O 2.99Å; I107-I110 HydrophobicContact CD1-CD1 3.98Å; I107-I110 PolarHBondContact O-N 2.84Å; R108-I110 VanDerWaalsContact C-N 3.28Å; R108-I110 PolarHBondContact O-N 3.37Å; I110-C112 PolarHBondContact O-N 2.9Å; I110-V115 HydrophobicContact CG2-CG2 3.78Å; I110-Y122 HydrophobicContact CD1-CD1 3.5Å; I110-Y122 HydrophobicContact CD1-CE1 3.59Å; I110-Y122 HydrophobicContact CD1-CG 4.19Å; I110-Y122 HydrophobicContact CG1-CE1 4.38Å
111D95.3Very high94.7Very high89 Ų8967.6 Ų67.648%0.47637%0.365SS..  trans-73.7108.5165.9171.722.7000109.7A109 E113 S114 V115A109-D111 PolarHBondContact O-N 3.32Å; D111-E113 PolarHBondContact O-N 3.36Å; D111-E113 WeakPolarHBondContact OD1-CB 3.45Å; D111-E113 PolarHBondContact OD1-N 3.46Å; D111-S114 PolarHBondContact O-N 3.46Å; D111-S114 PolarHBondContact O-OG 3.27Å; D111-S114 WeakPolarHBondContact OD2-CB 3.24Å; D111-S114 PolarHBondContact OD2-N 3.48Å; D111-V115 PolarHBondContact O-N 3.2Å
112C92.4Very high94.6Very high13 Ų1366.3 Ų66.39%0.08836%0.356CS..G310 helixtrans-54.7-32.6177.7-75.10000112.6Q75 F78 M79 Q82 I110 S114 V115Q75-C112 VanDerWaalsContact CG-O 3.3Å; Q75-C112 WeakPolarHBondContact CG-O 3.18Å; Q75-C112 PolarHBondContact NE2-O 2.97Å; Q75-C112 VanDerWaalsContact NE2-O 3.14Å; F78-C112 VanDerWaalsContact CB-SG 3.58Å; M79-C112 HydrophobicContact CG-CB 3.82Å; Q82-C112 VanDerWaalsContact CD-SG 3.52Å; Q82-C112 PolarHBondContact OE1-SG 3.42Å; I110-C112 PolarHBondContact O-N 2.9Å; C112-S114 VanDerWaalsContact C-N 3.32Å; C112-S114 PolarHBondContact O-N 3.17Å; C112-V115 WeakPolarHBondContact O-CB 3.42Å; C112-V115 PolarHBondContact O-N 3.14Å
113E90Very high94.6Very high150 Ų15059.7 Ų59.770%0.70133%0.326SS*.G310 helixtrans-69.6-34.3179.8-63-167.2172.600111.5R71 Q75 D111 V115R71-E113 PolarHBondContact NH2-O 2.86Å; Q75-E113 PolarHBondContact NE2-O 3.34Å; D111-E113 PolarHBondContact O-N 3.36Å; D111-E113 WeakPolarHBondContact OD1-CB 3.45Å; D111-E113 PolarHBondContact OD1-N 3.46Å; E113-V115 VanDerWaalsContact C-N 3.3Å; E113-V115 PolarHBondContact O-N 3.15Å
114S91Very high94.6Very high71 Ų7159.5 Ų59.550%0.49733%0.328SS..G310 helixtrans-75.7-11.2178.176.70000114.9D111 C112 T116D111-S114 PolarHBondContact O-N 3.46Å; D111-S114 PolarHBondContact O-OG 3.27Å; D111-S114 WeakPolarHBondContact OD2-CB 3.24Å; D111-S114 PolarHBondContact OD2-N 3.48Å; C112-S114 VanDerWaalsContact C-N 3.32Å; C112-S114 PolarHBondContact O-N 3.17Å; S114-T116 PolarHBondContact O-N 3.47Å
115V90.7Very high94.6Very high10 Ų1062.2 Ų62.26%0.06134%0.339CS..  trans-60.1125.1-179174.30000110.7R71 H74 Q75 F78 I110 D111 C112 E113R71-V115 WeakPolarHBondContact CG-O 3.35Å; R71-V115 PolarHBondContact NE-O 3.05Å; H74-V115 HydrophobicContact CB-CG1 4Å; Q75-V115 HydrophobicContact CG-CB 4.16Å; F78-V115 HydrophobicContact CD2-CB 4.34Å; F78-V115 HydrophobicContact CD2-CG1 3.76Å; F78-V115 HydrophobicContact CD2-CG2 3.71Å; F78-V115 HydrophobicContact CE2-CG1 3.67Å; F78-V115 HydrophobicContact CE2-CG2 3.96Å; F78-V115 HydrophobicContact CG-CG2 4.12Å; I110-V115 HydrophobicContact CG2-CG2 3.78Å; D111-V115 PolarHBondContact O-N 3.2Å; C112-V115 WeakPolarHBondContact O-CB 3.42Å; C112-V115 PolarHBondContact O-N 3.14Å; E113-V115 VanDerWaalsContact C-N 3.3Å; E113-V115 PolarHBondContact O-N 3.15Å
116T88Confident94.6Very high100 Ų10058.5 Ų58.561%0.61331%0.313SS*.  trans-124.2-35.217850.10000112.3S114S114-T116 PolarHBondContact O-N 3.47Å
117T87.3Confident94.6Very high62 Ų6258.7 Ų58.738%0.3831%0.31SS..  trans-117.1166.417766.20000111.5E119T117-E119 WeakPolarHBondContact CB-OE2 3.45Å; T117-E119 PolarHBondContact OG1-OE2 2.94Å
118F93.7Very high94.7Very high12 Ų1261.8 Ų61.85%0.05333%0.326CS..  trans-132.180.8175.3-169.9-123000108.1H74 I77 F78 V123 I126 I158 I161H74-F118 HydrophobicContact CB-CB 4.27Å; H74-F118 AromaticContact CD2-CG 3.96Å; H74-F118 VanDerWaalsContact CE1-CB 3.46Å; H74-F118 WeakPolarHBondContact CE1-CB 3.5Å; H74-F118 WeakPolarHBondContact ND1-CB 3.25Å; I77-F118 HydrophobicContact CD1-CE1 4.32Å; I77-F118 HydrophobicContact CD1-CZ 4.14Å; I77-F118 HydrophobicContact CG2-CE2 3.97Å; I77-F118 HydrophobicContact CG2-CZ 3.96Å; F78-F118 AromaticContact CE2-CD2 3.74Å; F78-F118 HydrophobicContact CE2-CD2 3.74Å; F78-F118 HydrophobicContact CE2-CE2 4.14Å; F78-F118 HydrophobicContact CZ-CD2 4.22Å; F78-F118 HydrophobicContact CZ-CE2 4.45Å; F118-V123 HydrophobicContact CD1-CG2 3.8Å; F118-V123 HydrophobicContact CD2-CG2 4.22Å; F118-V123 HydrophobicContact CE1-CG2 3.88Å; F118-V123 HydrophobicContact CE2-CG2 4.31Å; F118-V123 HydrophobicContact CG-CG2 3.97Å; F118-V123 HydrophobicContact CZ-CG2 4.13Å; F118-V123 WeakPolarHBondContact O-CG2 3.28Å; F118-I126 HydrophobicContact CE2-CD1 3.73Å; F118-I126 HydrophobicContact CZ-CD1 4.39Å; F118-I158 HydrophobicContact CE1-CG2 4.19Å; F118-I158 HydrophobicContact CZ-CG2 4.26Å; F118-I161 HydrophobicContact CD1-CG2 4.21Å; F118-I161 HydrophobicContact CE1-CG2 4.26Å
119E93.4Very high94.8Very high113 Ų11357.5 Ų57.553%0.52831%0.31SS..  trans-125.8170.7-166.4-68.5168.516000111.4T117 Y122 V123T117-E119 WeakPolarHBondContact CB-OE2 3.45Å; T117-E119 PolarHBondContact OG1-OE2 2.94Å; E119-Y122 WeakPolarHBondContact O-CB 3.5Å; E119-Y122 PolarHBondContact O-N 3.23Å; E119-V123 PolarHBondContact O-N 2.95Å; E119-V123 VanDerWaalsContact O-N 3.15Å
120E95.7Very high94.9Very high111 Ų11153.9 Ų53.952%0.51928%0.278SS..THydrogen-bonded Turntrans-68.4148.8172.2-65.2-63.1173.600111.9Y122 S124E120-Y122 VanDerWaalsContact C-N 3.33Å; E120-S124 WeakPolarHBondContact OE2-CB 3.45Å; E120-S124 PolarHBondContact OE2-N 3.26Å; E120-S124 PolarHBondContact OE2-OG 3.3Å
121P95.8Very high95Very high53 Ų5358.8 Ų58.834%0.34430%0.3SS..THydrogen-bonded Turncis-8412.636-36.8000113.9V123 S124 Y125P121-V123 PolarHBondContact O-N 3.02Å; P121-S124 PolarHBondContact O-N 3.21Å; P121-S124 PolarHBondContact O-OG 2.96Å; P121-Y125 HydrophobicContact CB-CD1 4.42Å; P121-Y125 HydrophobicContact CB-CD2 4.47Å; P121-Y125 HydrophobicContact CB-CE1 3.94Å; P121-Y125 HydrophobicContact CB-CE2 3.99Å; P121-Y125 HydrophobicContact CG-CE2 3.98Å; P121-Y125 WeakPolarHBondContact O-CD1 3.49Å; P121-Y125 PolarHBondContact O-N 3.44Å
122Y96.5Very high95.2Very high90 Ų9054.8 Ų54.835%0.35328%0.279SS..Hα-helixtrans-66.3-38-172.5-49.7-62.3000112.8F78 I106 I107 I110 E119 E120 Y125 I126F78-Y122 HydrophobicContact CZ-CG 4.34Å; I106-Y122 HydrophobicContact CG2-CE1 4.2Å; I107-Y122 HydrophobicContact CD1-CD1 4.01Å; I110-Y122 HydrophobicContact CD1-CD1 3.5Å; I110-Y122 HydrophobicContact CD1-CE1 3.59Å; I110-Y122 HydrophobicContact CD1-CG 4.19Å; I110-Y122 HydrophobicContact CG1-CE1 4.38Å; E119-Y122 WeakPolarHBondContact O-CB 3.5Å; E119-Y122 PolarHBondContact O-N 3.23Å; E120-Y122 VanDerWaalsContact C-N 3.33Å; Y122-Y125 PolarHBondContact O-N 2.75Å; Y122-I126 WeakPolarHBondContact O-CB 3.44Å; Y122-I126 VanDerWaalsContact O-CG1 3.23Å; Y122-I126 WeakPolarHBondContact O-CG1 3.45Å; Y122-I126 PolarHBondContact O-N 3.3Å
123V97.7Very high95.5Very high4 Ų462.1 Ų62.12%0.02431%0.309CS..Hα-helixtrans-59.4-50.5176.9174.20000110.8F118 E119 P121 I126 R127 I158F118-V123 HydrophobicContact CD1-CG2 3.8Å; F118-V123 HydrophobicContact CD2-CG2 4.22Å; F118-V123 HydrophobicContact CE1-CG2 3.88Å; F118-V123 HydrophobicContact CE2-CG2 4.31Å; F118-V123 HydrophobicContact CG-CG2 3.97Å; F118-V123 HydrophobicContact CZ-CG2 4.13Å; F118-V123 WeakPolarHBondContact O-CG2 3.28Å; E119-V123 PolarHBondContact O-N 2.95Å; E119-V123 VanDerWaalsContact O-N 3.15Å; P121-V123 PolarHBondContact O-N 3.02Å; V123-I126 PolarHBondContact O-N 2.95Å; V123-R127 WeakPolarHBondContact O-CB 3.29Å; V123-R127 PolarHBondContact O-N 3.46Å; V123-I158 HydrophobicContact CG1-CG2 3.8Å
124S98.2Very high95.9Very high29 Ų2955.1 Ų55.120%0.20328%0.277CS..Hα-helixtrans-62.8-40.7176.254.70000112.8E120 P121 I126 R127 D128E120-S124 WeakPolarHBondContact OE2-CB 3.45Å; E120-S124 PolarHBondContact OE2-N 3.26Å; E120-S124 PolarHBondContact OE2-OG 3.3Å; P121-S124 PolarHBondContact O-N 3.21Å; P121-S124 PolarHBondContact O-OG 2.96Å; S124-I126 PolarHBondContact O-N 3.21Å; S124-R127 WeakPolarHBondContact O-CB 3.4Å; S124-R127 PolarHBondContact O-N 3.15Å; S124-D128 WeakPolarHBondContact O-CB 3.27Å; S124-D128 VanDerWaalsContact O-CG 3.23Å; S124-D128 PolarHBondContact O-N 3.47Å
125Y98.4Very high96.2Very high57 Ų5751.7 Ų51.722%0.22425%0.253CS..Hα-helixtrans-62.8-44.8177.6-68.5-1.9000112.4K103 I106 P121 Y122 R127 D128 L129K103-Y125 HydrophobicContact CB-CD1 4.31Å; K103-Y125 HydrophobicContact CB-CD2 4.27Å; K103-Y125 HydrophobicContact CB-CG 3.97Å; K103-Y125 HydrophobicContact CD-CD1 3.81Å; K103-Y125 HydrophobicContact CD-CE1 4.36Å; K103-Y125 HydrophobicContact CD-CG 4.25Å; K103-Y125 HydrophobicContact CG-CD1 3.75Å; K103-Y125 HydrophobicContact CG-CD2 4.39Å; K103-Y125 HydrophobicContact CG-CE1 4.06Å; K103-Y125 HydrophobicContact CG-CG 3.93Å; I106-Y125 HydrophobicContact CB-CD2 4.46Å; I106-Y125 HydrophobicContact CB-CE2 4.38Å; I106-Y125 HydrophobicContact CD1-CD2 4.48Å; I106-Y125 HydrophobicContact CD1-CE2 3.67Å; I106-Y125 HydrophobicContact CG2-CD2 4.25Å; I106-Y125 HydrophobicContact CG2-CE2 4.13Å; P121-Y125 HydrophobicContact CB-CD1 4.42Å; P121-Y125 HydrophobicContact CB-CD2 4.47Å; P121-Y125 HydrophobicContact CB-CE1 3.94Å; P121-Y125 HydrophobicContact CB-CE2 3.99Å; P121-Y125 HydrophobicContact CG-CE2 3.98Å; P121-Y125 WeakPolarHBondContact O-CD1 3.49Å; P121-Y125 PolarHBondContact O-N 3.44Å; Y122-Y125 PolarHBondContact O-N 2.75Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; Y125-D128 PolarHBondContact O-N 3.05Å; Y125-L129 WeakPolarHBondContact O-CB 3.32Å; Y125-L129 WeakPolarHBondContact O-CD1 3.26Å; Y125-L129 WeakPolarHBondContact O-CG 3.46Å; Y125-L129 PolarHBondContact O-N 2.98Å
126I98.5Very high96.6Very high0 Ų054.5 Ų54.50%027%0.267CS..Hα-helixtrans-66.2-39.1177.9-65.4168.7000110.5I77 F78 I81 I107 F118 Y122 V123 S124 L129 W130 L155 I158I77-I126 HydrophobicContact CG2-CD1 4.28Å; I77-I126 HydrophobicContact CG2-CG2 4.05Å; F78-I126 HydrophobicContact CD1-CD1 3.92Å; F78-I126 HydrophobicContact CE1-CD1 3.65Å; F78-I126 HydrophobicContact CG-CD1 4.46Å; F78-I126 HydrophobicContact CZ-CD1 3.99Å; I81-I126 HydrophobicContact CB-CG2 4.38Å; I81-I126 HydrophobicContact CG1-CG2 4.29Å; I81-I126 HydrophobicContact CG2-CD1 4.37Å; I81-I126 HydrophobicContact CG2-CG1 4.16Å; I81-I126 HydrophobicContact CG2-CG2 4.48Å; I107-I126 HydrophobicContact CD1-CD1 4.14Å; I107-I126 HydrophobicContact CD1-CG1 3.75Å; I107-I126 HydrophobicContact CG1-CG1 4.23Å; I107-I126 HydrophobicContact CG2-CG1 4.48Å; F118-I126 HydrophobicContact CE2-CD1 3.73Å; F118-I126 HydrophobicContact CZ-CD1 4.39Å; Y122-I126 WeakPolarHBondContact O-CB 3.44Å; Y122-I126 VanDerWaalsContact O-CG1 3.23Å; Y122-I126 WeakPolarHBondContact O-CG1 3.45Å; Y122-I126 PolarHBondContact O-N 3.3Å; V123-I126 PolarHBondContact O-N 2.95Å; S124-I126 PolarHBondContact O-N 3.21Å; I126-L129 PolarHBondContact O-N 2.93Å; I126-W130 WeakPolarHBondContact O-CB 3.37Å; I126-W130 PolarHBondContact O-N 2.82Å; I126-L155 HydrophobicContact CG2-CD2 3.73Å; I126-I158 HydrophobicContact CG2-CD1 3.71Å
127R98.3Very high97.1Very high62 Ų6254.1 Ų54.123%0.23426%0.259CS..Hα-helixtrans-59.8-50.1174.7-172.8-171-63.3104.8-0110.9V123 S124 Y125 L129 W130 H131 D159V123-R127 WeakPolarHBondContact O-CB 3.29Å; V123-R127 PolarHBondContact O-N 3.46Å; S124-R127 WeakPolarHBondContact O-CB 3.4Å; S124-R127 PolarHBondContact O-N 3.15Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; R127-L129 VanDerWaalsContact C-N 3.34Å; R127-L129 PolarHBondContact O-N 3.17Å; R127-W130 PolarHBondContact O-N 3.44Å; R127-H131 PolarHBondContact O-N 3.49Å; R127-H131 PolarHBondContact O-ND1 3.38Å; R127-D159 IonicContact CZ-OD1 3.89Å; R127-D159 VanDerWaalsContact CZ-OD1 3.25Å; R127-D159 IonicContact NE-OD1 3.61Å; R127-D159 PolarHBondContact NE-OD1 3.01Å; R127-D159 IonicContact NH2-OD1 2.75Å; R127-D159 PolarHBondContact NH2-OD1 2.79Å
128D98.6Very high97.6Very high64 Ų6451.2 Ų51.234%0.34224%0.241SC..Hα-helixtrans-63.5-41.8-179.1-69-9.9000111.5K103 S124 Y125 H131 D132K103-D128 HydrophobicContact CD-CB 4.12Å; K103-D128 IonicContact NZ-OD2 2.81Å; K103-D128 PolarHBondContact NZ-OD2 2.96Å; S124-D128 WeakPolarHBondContact O-CB 3.27Å; S124-D128 VanDerWaalsContact O-CG 3.23Å; S124-D128 PolarHBondContact O-N 3.47Å; Y125-D128 PolarHBondContact O-N 3.05Å; D128-H131 PolarHBondContact O-N 3.04Å; D128-D132 PolarHBondContact O-N 3.49Å
129L98.7Very high97.8Very high0 Ų051.4 Ų51.40%024%0.241CC..Hα-helixtrans-63.8-42.1176.2-72164.7000111.8I81 I85 Y95 N100 K103 A104 I107 Y125 I126 R127 H131 D132 I135I81-L129 HydrophobicContact CD1-CB 3.91Å; I81-L129 HydrophobicContact CG1-CB 4.29Å; I81-L129 HydrophobicContact CG1-CD1 4.25Å; I85-L129 HydrophobicContact CD1-CD1 4.09Å; Y95-L129 HydrophobicContact CD1-CD2 4.36Å; Y95-L129 HydrophobicContact CE1-CD2 3.93Å; N100-L129 HydrophobicContact CB-CD2 3.88Å; K103-L129 HydrophobicContact CB-CD1 4.44Å; K103-L129 HydrophobicContact CB-CG 4.47Å; A104-L129 HydrophobicContact CB-CD1 4.47Å; A104-L129 HydrophobicContact CB-CD2 3.85Å; I107-L129 HydrophobicContact CB-CD1 4.38Å; I107-L129 HydrophobicContact CG1-CD1 4.02Å; Y125-L129 WeakPolarHBondContact O-CB 3.32Å; Y125-L129 WeakPolarHBondContact O-CD1 3.26Å; Y125-L129 WeakPolarHBondContact O-CG 3.46Å; Y125-L129 PolarHBondContact O-N 2.98Å; I126-L129 PolarHBondContact O-N 2.93Å; R127-L129 VanDerWaalsContact C-N 3.34Å; R127-L129 PolarHBondContact O-N 3.17Å; L129-H131 PolarHBondContact O-N 2.85Å; L129-D132 WeakPolarHBondContact O-CB 3.5Å; L129-D132 PolarHBondContact O-N 2.82Å; L129-I135 WeakPolarHBondContact O-CB 3.39Å; L129-I135 VanDerWaalsContact O-CG1 3.27Å; L129-I135 WeakPolarHBondContact O-CG1 3.46Å; L129-I135 VanDerWaalsContact O-CG2 3.3Å; L129-I135 WeakPolarHBondContact O-CG2 3.31Å
130W98.6Very high98Very high11 Ų1151.1 Ų51.14%0.04224%0.243CC..Hα-helixtrans-64.2-27.9179.3-179.5-129.2000113.2M84 I126 R127 I135 L136 Y139 K152 L155 N156M84-W130 HydrophobicContact CE-CE3 3.85Å; M84-W130 HydrophobicContact CE-CZ3 3.87Å; M84-W130 HydrophobicContact SD-CE3 4.44Å; M84-W130 HydrophobicContact SD-CZ3 3.94Å; I126-W130 WeakPolarHBondContact O-CB 3.37Å; I126-W130 PolarHBondContact O-N 2.82Å; R127-W130 PolarHBondContact O-N 3.44Å; W130-I135 HydrophobicContact CE3-CG2 4.09Å; W130-L136 HydrophobicContact CE3-CD2 4.31Å; W130-L136 HydrophobicContact CH2-CD2 4.2Å; W130-L136 HydrophobicContact CZ2-CD2 4.41Å; W130-L136 HydrophobicContact CZ3-CD2 4.14Å; W130-L136 WeakPolarHBondContact O-CD2 3.37Å; W130-Y139 HydrophobicContact CH2-CD1 4.01Å; W130-Y139 AromaticContact CH2-CD2 3.68Å; W130-Y139 HydrophobicContact CH2-CD2 3.68Å; W130-Y139 HydrophobicContact CH2-CE1 4.38Å; W130-Y139 HydrophobicContact CH2-CE2 4.07Å; W130-Y139 AromaticContact CH2-CG 3.67Å; W130-Y139 HydrophobicContact CH2-CG 3.67Å; W130-Y139 AromaticContact CZ3-CD2 3.84Å; W130-Y139 HydrophobicContact CZ3-CD2 3.84Å; W130-Y139 AromaticContact CZ3-CG 3.83Å; W130-Y139 HydrophobicContact CZ3-CG 3.83Å; W130-K152 HydrophobicContact CH2-CB 4.45Å; W130-K152 HydrophobicContact CZ2-CB 4.36Å; W130-K152 HydrophobicContact CZ2-CG 4.21Å; W130-L155 VanDerWaalsContact CD1-O 3.29Å; W130-L155 HydrophobicContact CD2-CB 3.68Å; W130-L155 HydrophobicContact CD2-CD1 3.93Å; W130-L155 HydrophobicContact CD2-CG 4.37Å; W130-L155 HydrophobicContact CE3-CB 4.3Å; W130-L155 HydrophobicContact CE3-CD1 3.68Å; W130-L155 HydrophobicContact CG-CB 3.74Å; W130-L155 HydrophobicContact CG-CD1 4.49Å; W130-L155 HydrophobicContact CZ2-CB 4.31Å; W130-L155 HydrophobicContact CZ3-CD1 3.99Å; W130-N156 PolarHBondContact NE1-OD1 2.81Å
131H98.4Very high98.1Very high134 Ų13449 Ų4962%0.6223%0.231SC*.THydrogen-bonded Turntrans-90.3-0.3175.4-6392.9000113.4R127 D128 L129R127-H131 PolarHBondContact O-N 3.49Å; R127-H131 PolarHBondContact O-ND1 3.38Å; D128-H131 PolarHBondContact O-N 3.04Å; L129-H131 PolarHBondContact O-N 2.85Å
132D98.7Very high98.1Very high5 Ų548.2 Ų48.23%0.02722%0.221CC..  trans-71.2136.1176.8-172.8-87.8000111.3G96 D97 N100 D128 L129 G134 I135 L136G96-D132 VanDerWaalsContact N-CG 3.33Å; G96-D132 PolarHBondContact N-OD1 3.14Å; G96-D132 PolarHBondContact N-OD2 3.28Å; D97-D132 PolarHBondContact N-OD2 3.2Å; N100-D132 WeakPolarHBondContact ND2-CB 3.23Å; N100-D132 PolarHBondContact ND2-OD2 3.06Å; D128-D132 PolarHBondContact O-N 3.49Å; L129-D132 WeakPolarHBondContact O-CB 3.5Å; L129-D132 PolarHBondContact O-N 2.82Å; D132-G134 VanDerWaalsContact C-N 3.31Å; D132-G134 PolarHBondContact O-N 3.07Å; D132-G134 WeakPolarHBondContact OD1-CA 3.5Å; D132-G134 PolarHBondContact OD1-N 2.74Å; D132-I135 HydrophobicContact CB-CB 4.12Å; D132-I135 HydrophobicContact CB-CG1 4.02Å; D132-I135 PolarHBondContact O-N 2.66Å; D132-I135 PolarHBondContact OD1-N 2.86Å; D132-L136 WeakPolarHBondContact O-CG 3.25Å; D132-L136 PolarHBondContact O-N 3.41Å
133K98.5Very high98.1Very high166 Ų16647.6 Ų47.672%0.72222%0.218SC*.Hα-helixtrans-60.8-38.4-178.5-68.2-178.3179.2176.50113.2L136 E137K133-L136 PolarHBondContact O-N 3.07Å; K133-E137 WeakPolarHBondContact O-CB 3.31Å; K133-E137 PolarHBondContact O-N 3.48Å
134G98.6Very high98Very high3 Ų351.5 Ų51.53%0.03124%0.236CC..Hα-helixtrans-68.4-42.4178.200000111.4D132 L136 E137 V138D132-G134 VanDerWaalsContact C-N 3.31Å; D132-G134 PolarHBondContact O-N 3.07Å; D132-G134 WeakPolarHBondContact OD1-CA 3.5Å; D132-G134 PolarHBondContact OD1-N 2.74Å; G134-L136 VanDerWaalsContact C-N 3.34Å; G134-L136 PolarHBondContact O-N 3.44Å; G134-E137 WeakPolarHBondContact O-CB 3.22Å; G134-E137 PolarHBondContact O-N 3.4Å; G134-V138 PolarHBondContact O-N 3.2Å
135I98.6Very high97.9Very high0 Ų051.7 Ų51.70%023%0.232CC..Hα-helixtrans-62.2-41.9175.4-66.4-69.3000111.4I81 M84 I85 M88 Y95 L129 W130 D132 V138 Y139I81-I135 HydrophobicContact CD1-CG2 4.28Å; M84-I135 HydrophobicContact CB-CD1 4.32Å; M84-I135 HydrophobicContact CB-CG2 4.5Å; M84-I135 HydrophobicContact CE-CG2 3.99Å; M84-I135 HydrophobicContact SD-CG2 4.17Å; I85-I135 HydrophobicContact CG1-CD1 4.22Å; M88-I135 HydrophobicContact CG-CD1 3.8Å; M88-I135 HydrophobicContact SD-CD1 4.23Å; Y95-I135 HydrophobicContact CE1-CD1 4.21Å; Y95-I135 HydrophobicContact CE1-CG1 4.36Å; L129-I135 WeakPolarHBondContact O-CB 3.39Å; L129-I135 VanDerWaalsContact O-CG1 3.27Å; L129-I135 WeakPolarHBondContact O-CG1 3.46Å; L129-I135 VanDerWaalsContact O-CG2 3.3Å; L129-I135 WeakPolarHBondContact O-CG2 3.31Å; W130-I135 HydrophobicContact CE3-CG2 4.09Å; D132-I135 HydrophobicContact CB-CB 4.12Å; D132-I135 HydrophobicContact CB-CG1 4.02Å; D132-I135 PolarHBondContact O-N 2.66Å; D132-I135 PolarHBondContact OD1-N 2.86Å; I135-V138 WeakPolarHBondContact O-CG2 3.4Å; I135-V138 PolarHBondContact O-N 2.75Å; I135-Y139 WeakPolarHBondContact O-CB 3.15Å; I135-Y139 PolarHBondContact O-N 3.15Å
136L98.5Very high97.8Very high68 Ų6852 Ų5236%0.35624%0.236SC..Hα-helixtrans-64.8-39.6175.2-68.7174.7000112W130 D132 K133 G134 Y139 D140W130-L136 HydrophobicContact CE3-CD2 4.31Å; W130-L136 HydrophobicContact CH2-CD2 4.2Å; W130-L136 HydrophobicContact CZ2-CD2 4.41Å; W130-L136 HydrophobicContact CZ3-CD2 4.14Å; W130-L136 WeakPolarHBondContact O-CD2 3.37Å; D132-L136 WeakPolarHBondContact O-CG 3.25Å; D132-L136 PolarHBondContact O-N 3.41Å; K133-L136 PolarHBondContact O-N 3.07Å; G134-L136 VanDerWaalsContact C-N 3.34Å; G134-L136 PolarHBondContact O-N 3.44Å; L136-Y139 WeakPolarHBondContact O-CB 3.48Å; L136-Y139 PolarHBondContact O-N 3.46Å; L136-D140 PolarHBondContact O-N 2.82Å
137E98.4Very high97.8Very high93 Ų9352.8 Ų52.844%0.43524%0.24SC..Hα-helixtrans-60.5-46.6174.5-176.8-175146.700111.7V93 K133 G134 Y139 D140 R141V93-E137 HydrophobicContact CG1-CB 4.21Å; V93-E137 HydrophobicContact CG1-CG 4.36Å; V93-E137 WeakPolarHBondContact CG2-OE1 3.4Å; K133-E137 WeakPolarHBondContact O-CB 3.31Å; K133-E137 PolarHBondContact O-N 3.48Å; G134-E137 WeakPolarHBondContact O-CB 3.22Å; G134-E137 PolarHBondContact O-N 3.4Å; E137-Y139 VanDerWaalsContact C-N 3.31Å; E137-Y139 PolarHBondContact O-N 2.91Å; E137-D140 PolarHBondContact O-N 3.25Å; E137-R141 WeakPolarHBondContact O-CG 3.45Å; E137-R141 PolarHBondContact O-N 3.16Å; E137-R141 IonicContact OE1-NH1 3.48Å
138V98.4Very high97.6Very high0 Ų051.3 Ų51.30%024%0.238CC..Hα-helixtrans-69.2-29.9176.9-61.40000112.1M84 A87 M88 L91 V93 G134 I135 D140 R141 R142 Y145M84-V138 HydrophobicContact CB-CG2 4.02Å; A87-V138 HydrophobicContact CB-CB 4.35Å; M88-V138 HydrophobicContact CG-CG1 4.13Å; M88-V138 HydrophobicContact CG-CG2 4.09Å; M88-V138 HydrophobicContact SD-CB 4.36Å; M88-V138 HydrophobicContact SD-CG1 3.53Å; M88-V138 VanDerWaalsContact SD-CG1 3.53Å; M88-V138 HydrophobicContact SD-CG2 3.86Å; L91-V138 HydrophobicContact CD1-CB 4.4Å; L91-V138 HydrophobicContact CD1-CG1 4.08Å; V93-V138 HydrophobicContact CB-CG1 3.88Å; V93-V138 HydrophobicContact CG1-CG1 4.28Å; V93-V138 HydrophobicContact CG2-CG1 3.76Å; G134-V138 PolarHBondContact O-N 3.2Å; I135-V138 WeakPolarHBondContact O-CG2 3.4Å; I135-V138 PolarHBondContact O-N 2.75Å; V138-D140 VanDerWaalsContact C-N 3.34Å; V138-R141 CarbonylContact O-C 3.55Å; V138-R141 PolarHBondContact O-N 2.89Å; V138-R141 VanDerWaalsContact O-N 3.17Å; V138-R142 PolarHBondContact O-N 3.19Å; V138-Y145 VanDerWaalsContact C-OH 3.3Å; V138-Y145 HydrophobicContact CB-CE1 4.47Å; V138-Y145 WeakPolarHBondContact O-CE1 3.42Å; V138-Y145 PolarHBondContact O-OH 3.28Å
139Y98.3Very high97.5Very high16 Ų1651.4 Ų51.46%0.06324%0.238CC..Hα-helixtrans-63.3-40.3172.1175.6-93.2000112M84 W130 I135 L136 E137 R141 R142 L147 K152M84-Y139 HydrophobicContact SD-CD2 3.97Å; M84-Y139 HydrophobicContact SD-CG 4.42Å; W130-Y139 HydrophobicContact CH2-CD1 4.01Å; W130-Y139 AromaticContact CH2-CD2 3.68Å; W130-Y139 HydrophobicContact CH2-CD2 3.68Å; W130-Y139 HydrophobicContact CH2-CE1 4.38Å; W130-Y139 HydrophobicContact CH2-CE2 4.07Å; W130-Y139 AromaticContact CH2-CG 3.67Å; W130-Y139 HydrophobicContact CH2-CG 3.67Å; W130-Y139 AromaticContact CZ3-CD2 3.84Å; W130-Y139 HydrophobicContact CZ3-CD2 3.84Å; W130-Y139 AromaticContact CZ3-CG 3.83Å; W130-Y139 HydrophobicContact CZ3-CG 3.83Å; I135-Y139 WeakPolarHBondContact O-CB 3.15Å; I135-Y139 PolarHBondContact O-N 3.15Å; L136-Y139 WeakPolarHBondContact O-CB 3.48Å; L136-Y139 PolarHBondContact O-N 3.46Å; E137-Y139 VanDerWaalsContact C-N 3.31Å; E137-Y139 PolarHBondContact O-N 2.91Å; Y139-R141 PolarHBondContact O-N 3.38Å; Y139-R142 WeakPolarHBondContact O-CB 3.43Å; Y139-R142 VanDerWaalsContact O-CD 3.29Å; Y139-R142 WeakPolarHBondContact O-CD 3.24Å; Y139-R142 WeakPolarHBondContact O-CG 3.46Å; Y139-R142 PolarHBondContact O-N 3.1Å; Y139-R142 VanDerWaalsContact O-N 3.14Å; Y139-R142 PolarHBondContact O-NH1 3.31Å; Y139-R142 VanDerWaalsContact O-NH1 3.14Å; Y139-L147 HydrophobicContact CD2-CD2 3.75Å; Y139-L147 HydrophobicContact CE2-CD2 4Å; Y139-K152 HydrophobicContact CE1-CD 3.99Å; Y139-K152 HydrophobicContact CE2-CB 3.85Å; Y139-K152 VanDerWaalsContact OH-CB 3.26Å; Y139-K152 WeakPolarHBondContact OH-CB 3.47Å; Y139-K152 WeakPolarHBondContact OH-CD 3.46Å
140D97.2Very high97.4Very high107 Ų10751.8 Ų51.857%0.57224%0.241SC*.Hα-helixtrans-66.8-22.9175.4-72.3-21000112.2L136 E137 V138L136-D140 PolarHBondContact O-N 2.82Å; E137-D140 PolarHBondContact O-N 3.25Å; V138-D140 VanDerWaalsContact C-N 3.34Å
141R97Very high97.4Very high68 Ų6851.4 Ų51.426%0.25724%0.24SC..THydrogen-bonded Turntrans-95.414.7174.9-64.4175.567.5-174.2-2114L91 E137 V138 Y139 R143 E144L91-R141 HydrophobicContact CD1-CB 4.12Å; E137-R141 WeakPolarHBondContact O-CG 3.45Å; E137-R141 PolarHBondContact O-N 3.16Å; E137-R141 IonicContact OE1-NH1 3.48Å; V138-R141 CarbonylContact O-C 3.55Å; V138-R141 PolarHBondContact O-N 2.89Å; V138-R141 VanDerWaalsContact O-N 3.17Å; Y139-R141 PolarHBondContact O-N 3.38Å; R141-R143 PolarHBondContact O-N 2.68Å; R141-E144 WeakPolarHBondContact CB-OE1 3.47Å; R141-E144 WeakPolarHBondContact CG-OE1 3.45Å; R141-E144 IonicContact CZ-OE1 3.52Å; R141-E144 IonicContact CZ-OE2 3.73Å; R141-E144 IonicContact NE-OE1 3.51Å; R141-E144 PolarHBondContact NE-OE1 3.35Å; R141-E144 IonicContact NE-OE2 2.76Å; R141-E144 PolarHBondContact NE-OE2 2.91Å; R141-E144 IonicContact NH2-OE1 3.45Å; R141-E144 IonicContact NH2-OE2 2.75Å; R141-E144 PolarHBondContact NH2-OE2 3.1Å; R141-E144 WeakPolarHBondContact O-CB 3.5Å; R141-E144 PolarHBondContact O-N 2.93Å
142R97.1Very high97.4Very high35 Ų3548.9 Ų48.913%0.13223%0.228CC..THydrogen-bonded Turntrans-59.5-1.8-17869.6-171.6179.6-81.73.1117V138 Y139 E144 Y145 L147 E275V138-R142 PolarHBondContact O-N 3.19Å; Y139-R142 WeakPolarHBondContact O-CB 3.43Å; Y139-R142 VanDerWaalsContact O-CD 3.29Å; Y139-R142 WeakPolarHBondContact O-CD 3.24Å; Y139-R142 WeakPolarHBondContact O-CG 3.46Å; Y139-R142 PolarHBondContact O-N 3.1Å; Y139-R142 VanDerWaalsContact O-N 3.14Å; Y139-R142 PolarHBondContact O-NH1 3.31Å; Y139-R142 VanDerWaalsContact O-NH1 3.14Å; R142-E144 VanDerWaalsContact C-N 3.35Å; R142-Y145 HydrophobicContact CB-CE1 4.34Å; R142-L147 HydrophobicContact CB-CB 4.23Å; R142-L147 HydrophobicContact CB-CD2 3.79Å; R142-E275 IonicContact CZ-OE1 3.35Å; R142-E275 IonicContact NH2-OE1 3.84Å; R142-E275 PolarHBondContact NH2-OE1 2.96Å
143R95.4Very high97.4Very high78 Ų7851 Ų5129%0.29424%0.236SC..THydrogen-bonded Turntrans-78.8-20.9167.566.9178.9-179.3-91-4.3112.7R141R141-R143 PolarHBondContact O-N 2.68Å
144E95.8Very high97.4Very high86 Ų8643.1 Ų43.140%0.40220%0.201SC..SBendtrans-85.3-6.6-176.8-60.9176.2-129.200113.3L91 R141 R142L91-E144 HydrophobicContact CD2-CB 4.34Å; L91-E144 WeakPolarHBondContact CD2-OE2 3.4Å; R141-E144 WeakPolarHBondContact CB-OE1 3.47Å; R141-E144 WeakPolarHBondContact CG-OE1 3.45Å; R141-E144 IonicContact CZ-OE1 3.52Å; R141-E144 IonicContact CZ-OE2 3.73Å; R141-E144 IonicContact NE-OE1 3.51Å; R141-E144 PolarHBondContact NE-OE1 3.35Å; R141-E144 IonicContact NE-OE2 2.76Å; R141-E144 PolarHBondContact NE-OE2 2.91Å; R141-E144 IonicContact NH2-OE1 3.45Å; R141-E144 IonicContact NH2-OE2 2.75Å; R141-E144 PolarHBondContact NH2-OE2 3.1Å; R141-E144 WeakPolarHBondContact O-CB 3.5Å; R141-E144 PolarHBondContact O-N 2.93Å; R142-E144 VanDerWaalsContact C-N 3.35Å
145Y96.7Very high97.4Very high33 Ų3343.1 Ų43.113%0.12920%0.201CC..SBendtrans-152.9175.3177.963.8-82.6000110.8M84 A87 L91 V138 R142 L147M84-Y145 HydrophobicContact CG-CE2 4.3Å; A87-Y145 HydrophobicContact CB-CD1 3.59Å; A87-Y145 HydrophobicContact CB-CD2 3.79Å; A87-Y145 HydrophobicContact CB-CE1 3.58Å; A87-Y145 HydrophobicContact CB-CE2 3.79Å; A87-Y145 HydrophobicContact CB-CG 3.7Å; L91-Y145 HydrophobicContact CD1-CD1 4.25Å; L91-Y145 HydrophobicContact CD1-CE1 4.32Å; V138-Y145 VanDerWaalsContact C-OH 3.3Å; V138-Y145 HydrophobicContact CB-CE1 4.47Å; V138-Y145 WeakPolarHBondContact O-CE1 3.42Å; V138-Y145 PolarHBondContact O-OH 3.28Å; R142-Y145 HydrophobicContact CB-CE1 4.34Å; Y145-L147 HydrophobicContact CD2-CB 4.32Å; Y145-L147 HydrophobicContact CE2-CB 3.81Å; Y145-L147 HydrophobicContact CE2-CD1 4.45Å; Y145-L147 HydrophobicContact CE2-CD2 4.38Å; Y145-L147 HydrophobicContact CE2-CG 4.44Å; Y145-L147 PolarHBondContact O-N 3.26Å
146Q96.2Very high97.4Very high64 Ų6447.7 Ų47.730%0.29923%0.225SC..  trans-85.7111.3-176.7-54.7-60.4-27.900110.8V232 V234Q146-V232 PolarHBondContact NE2-O 2.91Å; Q146-V234 HydrophobicContact CG-CG2 3.95Å
147L97.3Very high97.3Very high15 Ų1547.1 Ų47.18%0.07922%0.222CC..  trans-136134.7174.1-17366.2000110A80 A83 M84 Y139 R142 Y145 A151A80-L147 HydrophobicContact CB-CD1 4.19Å; A83-L147 HydrophobicContact CB-CD1 4.09Å; M84-L147 HydrophobicContact CG-CD1 4.05Å; M84-L147 HydrophobicContact CG-CD2 4.21Å; M84-L147 HydrophobicContact SD-CD2 4.18Å; Y139-L147 HydrophobicContact CD2-CD2 3.75Å; Y139-L147 HydrophobicContact CE2-CD2 4Å; R142-L147 HydrophobicContact CB-CB 4.23Å; R142-L147 HydrophobicContact CB-CD2 3.79Å; Y145-L147 HydrophobicContact CD2-CB 4.32Å; Y145-L147 HydrophobicContact CE2-CB 3.81Å; Y145-L147 HydrophobicContact CE2-CD1 4.45Å; Y145-L147 HydrophobicContact CE2-CD2 4.38Å; Y145-L147 HydrophobicContact CE2-CG 4.44Å; Y145-L147 PolarHBondContact O-N 3.26Å; L147-A151 HydrophobicContact CD1-CB 3.87Å; L147-A151 HydrophobicContact CD2-CB 4.01Å; L147-A151 HydrophobicContact CG-CB 3.89Å
148T95.7Very high97.3Very high32 Ų3242.8 Ų42.820%0.19620%0.202CC..  trans-70138.7177.3570000111.2S150 A151T148-S150 PolarHBondContact O-N 2.81Å; T148-S150 PolarHBondContact OG1-OG 3.33Å; T148-A151 VanDerWaalsContact O-CB 3.27Å; T148-A151 WeakPolarHBondContact O-CB 3.23Å; T148-A151 PolarHBondContact O-N 3.15Å
149D95.5Very high97.2Very high65 Ų6547.2 Ų47.235%0.34823%0.226SC..THydrogen-bonded Turntrans-55.9-25.5178-59.5-37.9000113.8A151 K269 L272D149-A151 VanDerWaalsContact C-N 3.26Å; D149-A151 PolarHBondContact O-N 2.98Å; D149-K269 VanDerWaalsContact OD2-CE 3.3Å; D149-K269 WeakPolarHBondContact OD2-CE 3.22Å; D149-K269 IonicContact OD2-NZ 3.36Å; D149-K269 PolarHBondContact OD2-NZ 3.31Å; D149-L272 HydrophobicContact CB-CD1 3.65Å; D149-L272 VanDerWaalsContact CG-CD1 3.41Å
150S97.1Very high97.2Very high9 Ų950 Ų506%0.06324%0.236CC..THydrogen-bonded Turntrans-75.7-7.3178.754.20000114.7T148 K152 Y153 Y154 R175T148-S150 PolarHBondContact O-N 2.81Å; T148-S150 PolarHBondContact OG1-OG 3.33Å; S150-K152 PolarHBondContact O-N 3.39Å; S150-Y153 PolarHBondContact O-N 2.9Å; S150-Y154 VanDerWaalsContact O-CD2 3.32Å; S150-Y154 WeakPolarHBondContact O-CD2 3.47Å; S150-Y154 PolarHBondContact O-N 3.37Å; S150-Y154 VanDerWaalsContact O-N 3.12Å; S150-R175 WeakPolarHBondContact CB-O 3.48Å; S150-R175 PolarHBondContact OG-O 3.34Å
151A98.4Very high97.2Very high3 Ų345 Ų453%0.02521%0.209CC..Hα-helixtrans-55.1-57.3-173.700000112.3A80 L147 T148 D149 Y153 Y154 L155A80-A151 HydrophobicContact CB-CB 3.76Å; L147-A151 HydrophobicContact CD1-CB 3.87Å; L147-A151 HydrophobicContact CD2-CB 4.01Å; L147-A151 HydrophobicContact CG-CB 3.89Å; T148-A151 VanDerWaalsContact O-CB 3.27Å; T148-A151 WeakPolarHBondContact O-CB 3.23Å; T148-A151 PolarHBondContact O-N 3.15Å; D149-A151 VanDerWaalsContact C-N 3.26Å; D149-A151 PolarHBondContact O-N 2.98Å; A151-Y153 VanDerWaalsContact C-N 3.3Å; A151-Y153 PolarHBondContact O-N 3.03Å; A151-Y154 PolarHBondContact O-N 3.33Å; A151-L155 HydrophobicContact CB-CD1 4.43Å; A151-L155 VanDerWaalsContact O-CB 3.31Å; A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 WeakPolarHBondContact O-CG 3.21Å; A151-L155 PolarHBondContact O-N 3.44Å
152K98Very high97.2Very high81 Ų8143.1 Ų43.135%0.35221%0.206SC..Hα-helixtrans-60.4-38.2179.7174.7173.3176.7-1780112.9W130 Y139 S150 N156W130-K152 HydrophobicContact CH2-CB 4.45Å; W130-K152 HydrophobicContact CZ2-CB 4.36Å; W130-K152 HydrophobicContact CZ2-CG 4.21Å; Y139-K152 HydrophobicContact CE1-CD 3.99Å; Y139-K152 HydrophobicContact CE2-CB 3.85Å; Y139-K152 VanDerWaalsContact OH-CB 3.26Å; Y139-K152 WeakPolarHBondContact OH-CB 3.47Å; Y139-K152 WeakPolarHBondContact OH-CD 3.46Å; S150-K152 PolarHBondContact O-N 3.39Å; K152-N156 VanDerWaalsContact O-CB 3.26Å; K152-N156 WeakPolarHBondContact O-CB 3.3Å; K152-N156 PolarHBondContact O-N 3.05Å; K152-N156 PolarHBondContact O-ND2 3.44Å
153Y98.4Very high97.2Very high49 Ų4946.2 Ų46.219%0.19222%0.222CC..Hα-helixtrans-59.9-51.7178.2169.7-98000111.5S150 A151 R160 Q171 D172 R175S150-Y153 PolarHBondContact O-N 2.9Å; A151-Y153 VanDerWaalsContact C-N 3.3Å; A151-Y153 PolarHBondContact O-N 3.03Å; Y153-R160 PolarHBondContact OH-NH2 3.15Å; Y153-Q171 HydrophobicContact CE2-CG 3.78Å; Y153-Q171 WeakPolarHBondContact OH-CB 3.5Å; Y153-Q171 WeakPolarHBondContact OH-CG 3.49Å; Y153-D172 VanDerWaalsContact CE1-OD1 3.3Å; Y153-D172 WeakPolarHBondContact CE1-OD1 3.04Å; Y153-D172 PolarHBondContact OH-OD1 3.37Å; Y153-D172 VanDerWaalsContact OH-OD1 3.09Å; Y153-R175 HydrophobicContact CD1-CB 4.26Å; Y153-R175 HydrophobicContact CD1-CG 4.32Å; Y153-R175 HydrophobicContact CE1-CB 4.47Å
154Y98.6Very high97.2Very high1 Ų149 Ų490%0.00425%0.25CS..Hα-helixtrans-72.8-38.9-178.2-68.3-56.3000113V73 N76 I77 S150 A151 N156 D157 I158 I161 D172 R175 V176V73-Y154 HydrophobicContact CG1-CD1 3.9Å; V73-Y154 HydrophobicContact CG1-CE1 3.64Å; V73-Y154 HydrophobicContact CG2-CE1 4.31Å; N76-Y154 HydrophobicContact CB-CE2 4.35Å; I77-Y154 HydrophobicContact CG1-CG 4.21Å; S150-Y154 VanDerWaalsContact O-CD2 3.32Å; S150-Y154 WeakPolarHBondContact O-CD2 3.47Å; S150-Y154 PolarHBondContact O-N 3.37Å; S150-Y154 VanDerWaalsContact O-N 3.12Å; A151-Y154 PolarHBondContact O-N 3.33Å; Y154-N156 VanDerWaalsContact C-N 3.3Å; Y154-N156 PolarHBondContact O-N 3.06Å; Y154-D157 CarbonylContact O-C 3.35Å; Y154-D157 PolarHBondContact O-N 3.35Å; Y154-D157 VanDerWaalsContact O-N 3.07Å; Y154-I158 PolarHBondContact O-N 3.04Å; Y154-I161 HydrophobicContact CD1-CD1 3.66Å; Y154-I161 HydrophobicContact CG-CD1 4.4Å; Y154-D172 HydrophobicContact CE1-CB 4.17Å; Y154-D172 PolarHBondContact OH-O 2.88Å; Y154-R175 HydrophobicContact CE2-CB 4.21Å; Y154-V176 WeakPolarHBondContact OH-CA 3.44Å; Y154-V176 WeakPolarHBondContact OH-CB 3.47Å; Y154-V176 PolarHBondContact OH-N 3.18Å
155L98.6Very high97.1Very high3 Ų351.2 Ų51.22%0.01627%0.265CS..Hα-helixtrans-68.1-30.6-178.7-68170000112.4I77 M84 I126 W130 A151 D157 I158I77-L155 HydrophobicContact CG2-CD2 4.04Å; M84-L155 HydrophobicContact CE-CD1 3.39Å; I126-L155 HydrophobicContact CG2-CD2 3.73Å; W130-L155 VanDerWaalsContact CD1-O 3.29Å; W130-L155 HydrophobicContact CD2-CB 3.68Å; W130-L155 HydrophobicContact CD2-CD1 3.93Å; W130-L155 HydrophobicContact CD2-CG 4.37Å; W130-L155 HydrophobicContact CE3-CB 4.3Å; W130-L155 HydrophobicContact CE3-CD1 3.68Å; W130-L155 HydrophobicContact CG-CB 3.74Å; W130-L155 HydrophobicContact CG-CD1 4.49Å; W130-L155 HydrophobicContact CZ2-CB 4.31Å; W130-L155 HydrophobicContact CZ3-CD1 3.99Å; A151-L155 HydrophobicContact CB-CD1 4.43Å; A151-L155 VanDerWaalsContact O-CB 3.31Å; A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 WeakPolarHBondContact O-CG 3.21Å; A151-L155 PolarHBondContact O-N 3.44Å; L155-D157 VanDerWaalsContact C-N 3.27Å; L155-D157 PolarHBondContact O-N 3.47Å; L155-I158 HydrophobicContact CD2-CD1 4.05Å; L155-I158 VanDerWaalsContact O-CD1 3.23Å; L155-I158 WeakPolarHBondContact O-CD1 3.47Å; L155-I158 VanDerWaalsContact O-CG1 3.29Å; L155-I158 WeakPolarHBondContact O-CG1 3.39Å
156N98.3Very high97.2Very high96 Ų9650.6 Ų50.651%0.51326%0.263SS..Hα-helixtrans-70.8-23.1171.4-74.3-7.4000113.3W130 K152 Y154W130-N156 PolarHBondContact NE1-OD1 2.81Å; K152-N156 VanDerWaalsContact O-CB 3.26Å; K152-N156 WeakPolarHBondContact O-CB 3.3Å; K152-N156 PolarHBondContact O-N 3.05Å; K152-N156 PolarHBondContact O-ND2 3.44Å; Y154-N156 VanDerWaalsContact C-N 3.3Å; Y154-N156 PolarHBondContact O-N 3.06Å
157D98Very high97.3Very high55 Ų5550.2 Ų50.229%0.29426%0.262SS..THydrogen-bonded Turntrans-108.518.6-174.2-92.5-0.9000113Y154 L155 D159 R160 I161Y154-D157 CarbonylContact O-C 3.35Å; Y154-D157 PolarHBondContact O-N 3.35Å; Y154-D157 VanDerWaalsContact O-N 3.07Å; L155-D157 VanDerWaalsContact C-N 3.27Å; L155-D157 PolarHBondContact O-N 3.47Å; D157-D159 PolarHBondContact O-N 2.8Å; D157-D159 VanDerWaalsContact O-N 3.13Å; D157-R160 WeakPolarHBondContact O-CB 3.5Å; D157-R160 PolarHBondContact O-N 3.22Å; D157-R160 IonicContact OD2-CZ 2.91Å; D157-R160 IonicContact OD2-NE 2.84Å; D157-R160 PolarHBondContact OD2-NE 3.21Å; D157-R160 IonicContact OD2-NH2 3.2Å; D157-R160 PolarHBondContact OD2-NH2 2.86Å; D157-I161 HydrophobicContact CB-CD1 4.03Å; D157-I161 HydrophobicContact CB-CG1 4.46Å; D157-I161 WeakPolarHBondContact O-CG1 3.18Å; D157-I161 PolarHBondContact O-N 3.34Å
158I97.9Very high97.3Very high3 Ų349.6 Ų49.62%0.01526%0.259CS..Hα-helixtrans-51.3-41-178.4-72.2165.9000111.7F118 V123 I126 Y154 L155 R160 I161 S162F118-I158 HydrophobicContact CE1-CG2 4.19Å; F118-I158 HydrophobicContact CZ-CG2 4.26Å; V123-I158 HydrophobicContact CG1-CG2 3.8Å; I126-I158 HydrophobicContact CG2-CD1 3.71Å; Y154-I158 PolarHBondContact O-N 3.04Å; L155-I158 HydrophobicContact CD2-CD1 4.05Å; L155-I158 VanDerWaalsContact O-CD1 3.23Å; L155-I158 WeakPolarHBondContact O-CD1 3.47Å; L155-I158 VanDerWaalsContact O-CG1 3.29Å; L155-I158 WeakPolarHBondContact O-CG1 3.39Å; I158-R160 VanDerWaalsContact C-N 3.31Å; I158-R160 PolarHBondContact O-N 3.1Å; I158-I161 PolarHBondContact O-N 3.01Å; I158-S162 VanDerWaalsContact O-CB 3.26Å; I158-S162 WeakPolarHBondContact O-CB 3.34Å; I158-S162 PolarHBondContact O-N 2.84Å; I158-S162 PolarHBondContact O-OG 3.03Å
159D96.5Very high97.4Very high92 Ų9250.8 Ų50.849%0.49227%0.267SS..Hα-helixtrans-66.7-32.1-177.9-66.3-25.4000112.8R127 D157 S162 Q163R127-D159 IonicContact CZ-OD1 3.89Å; R127-D159 VanDerWaalsContact CZ-OD1 3.25Å; R127-D159 IonicContact NE-OD1 3.61Å; R127-D159 PolarHBondContact NE-OD1 3.01Å; R127-D159 IonicContact NH2-OD1 2.75Å; R127-D159 PolarHBondContact NH2-OD1 2.79Å; D157-D159 PolarHBondContact O-N 2.8Å; D157-D159 VanDerWaalsContact O-N 3.13Å; D159-S162 PolarHBondContact O-OG 2.82Å; D159-Q163 WeakPolarHBondContact O-CG 3.38Å; D159-Q163 PolarHBondContact O-NE2 3.5Å
160R97.8Very high97.6Very high75 Ų7551.6 Ų51.628%0.28327%0.268SS..Hα-helixtrans-73.8-42.7173.6177.6-179.563.780.4-1.9111.1Y153 D157 I158 Q163 D172Y153-R160 PolarHBondContact OH-NH2 3.15Å; D157-R160 WeakPolarHBondContact O-CB 3.5Å; D157-R160 PolarHBondContact O-N 3.22Å; D157-R160 IonicContact OD2-CZ 2.91Å; D157-R160 IonicContact OD2-NE 2.84Å; D157-R160 PolarHBondContact OD2-NE 3.21Å; D157-R160 IonicContact OD2-NH2 3.2Å; D157-R160 PolarHBondContact OD2-NH2 2.86Å; I158-R160 VanDerWaalsContact C-N 3.31Å; I158-R160 PolarHBondContact O-N 3.1Å; R160-Q163 PolarHBondContact O-N 2.91Å; R160-D172 IonicContact CZ-OD1 3.78Å; R160-D172 IonicContact CZ-OD2 3.09Å; R160-D172 IonicContact NH1-OD1 2.86Å; R160-D172 PolarHBondContact NH1-OD1 2.85Å; R160-D172 IonicContact NH1-OD2 2.72Å; R160-D172 PolarHBondContact NH1-OD2 2.91Å; R160-D172 IonicContact NH2-OD1 2.89Å; R160-D172 PolarHBondContact NH2-OD1 2.88Å; R160-D172 IonicContact NH2-OD2 2.89Å
161I98Very high97.6Very high2 Ų254.2 Ų54.21%0.0128%0.28CS..Hα-helixtrans-74.5-30.4-173.9-63.6164.8000111.6V73 I77 F118 Y154 D157 I158 Q163 Y166V73-I161 HydrophobicContact CG1-CD1 4.43Å; V73-I161 HydrophobicContact CG1-CG2 4.07Å; I77-I161 HydrophobicContact CD1-CD1 3.98Å; I77-I161 HydrophobicContact CD1-CG2 3.8Å; F118-I161 HydrophobicContact CD1-CG2 4.21Å; F118-I161 HydrophobicContact CE1-CG2 4.26Å; Y154-I161 HydrophobicContact CD1-CD1 3.66Å; Y154-I161 HydrophobicContact CG-CD1 4.4Å; D157-I161 HydrophobicContact CB-CD1 4.03Å; D157-I161 HydrophobicContact CB-CG1 4.46Å; D157-I161 WeakPolarHBondContact O-CG1 3.18Å; D157-I161 PolarHBondContact O-N 3.34Å; I158-I161 PolarHBondContact O-N 3.01Å; I161-Q163 VanDerWaalsContact C-N 3.28Å; I161-Q163 PolarHBondContact O-N 2.95Å; I161-Y166 HydrophobicContact CG1-CE2 4.18Å; I161-Y166 HydrophobicContact CG2-CD1 4.1Å; I161-Y166 HydrophobicContact CG2-CE1 3.85Å; I161-Y166 WeakPolarHBondContact O-CB 3.49Å; I161-Y166 WeakPolarHBondContact O-CD1 3.3Å
162S97Very high97.6Very high28 Ų2854 Ų5420%0.19628%0.278CS..THydrogen-bonded Turntrans-79.3-3.4177.956.40000114.6I158 D159I158-S162 VanDerWaalsContact O-CB 3.26Å; I158-S162 WeakPolarHBondContact O-CB 3.34Å; I158-S162 PolarHBondContact O-N 2.84Å; I158-S162 PolarHBondContact O-OG 3.03Å; D159-S162 PolarHBondContact O-OG 2.82Å
163Q96.7Very high97.6Very high100 Ų10050.2 Ų50.247%0.46726%0.262SS..SBendtrans-65.8139.5177.3-64.5-55.7-49.300111.3D159 R160 I161 N165 Y166D159-Q163 WeakPolarHBondContact O-CG 3.38Å; D159-Q163 PolarHBondContact O-NE2 3.5Å; R160-Q163 PolarHBondContact O-N 2.91Å; I161-Q163 VanDerWaalsContact C-N 3.28Å; I161-Q163 PolarHBondContact O-N 2.95Å; Q163-N165 WeakPolarHBondContact CB-OD1 3.29Å; Q163-N165 PolarHBondContact O-N 3.09Å; Q163-N165 VanDerWaalsContact O-N 3.1Å; Q163-Y166 WeakPolarHBondContact O-CB 3.26Å; Q163-Y166 PolarHBondContact O-N 3.3Å
164P94.3Very high97.6Very high136 Ų13648 Ų4888%0.88325%0.253SS*.THydrogen-bonded Turntrans-59.2-26.4179.5-26.134.5000114.5
165N95.3Very high97.6Very high133 Ų13350.4 Ų50.471%0.71126%0.262SS*.THydrogen-bonded Turntrans-9917.7177.268.6-31000112.9Q163 L167Q163-N165 WeakPolarHBondContact CB-OD1 3.29Å; Q163-N165 PolarHBondContact O-N 3.09Å; Q163-N165 VanDerWaalsContact O-N 3.1Å; N165-L167 PolarHBondContact O-N 3.25Å
166Y97.4Very high97.6Very high20 Ų2050.4 Ų50.48%0.07826%0.263CS..  trans-55.4127.4177.4170.6-122000111.1I70 V73 I161 Q163 P168 D172I70-Y166 WeakPolarHBondContact CD1-O 3.37Å; I70-Y166 HydrophobicContact CG1-CD1 4.36Å; I70-Y166 HydrophobicContact CG1-CE1 4.4Å; I70-Y166 HydrophobicContact CG2-CD1 4.32Å; V73-Y166 HydrophobicContact CG1-CE1 4.36Å; I161-Y166 HydrophobicContact CG1-CE2 4.18Å; I161-Y166 HydrophobicContact CG2-CD1 4.1Å; I161-Y166 HydrophobicContact CG2-CE1 3.85Å; I161-Y166 WeakPolarHBondContact O-CB 3.49Å; I161-Y166 WeakPolarHBondContact O-CD1 3.3Å; Q163-Y166 WeakPolarHBondContact O-CB 3.26Å; Q163-Y166 PolarHBondContact O-N 3.3Å; Y166-P168 HydrophobicContact CE1-CG 4.01Å; Y166-D172 PolarHBondContact OH-OD2 3.26Å; Y166-D172 VanDerWaalsContact OH-OD2 3.04Å
167L97.9Very high97.5Very high56 Ų5648.6 Ų48.629%0.29325%0.249SC..  trans-127.3127.4170.4-17169.9000108K66 R67 N165 T169K66-L167 HydrophobicContact CB-CD1 3.55Å; K66-L167 HydrophobicContact CB-CD2 4.45Å; K66-L167 HydrophobicContact CB-CG 3.85Å; K66-L167 HydrophobicContact CD-CD1 4.49Å; K66-L167 HydrophobicContact CD-CD2 3.87Å; K66-L167 HydrophobicContact CD-CG 3.98Å; R67-L167 HydrophobicContact CG-CD1 3.73Å; N165-L167 PolarHBondContact O-N 3.25Å; L167-T169 PolarHBondContact O-N 3.14Å
168P98.4Very high97.3Very high2 Ų248.9 Ų48.91%0.01325%0.252CS..  trans-56127.5179.5-31.338.5000112.3K66 L69 I70 Y166 D172 I173K66-P168 WeakPolarHBondContact CD-O 3.26Å; K66-P168 WeakPolarHBondContact O-CD 3.43Å; K66-P168 VanDerWaalsContact O-CG 3.27Å; K66-P168 WeakPolarHBondContact O-CG 3.37Å; L69-P168 HydrophobicContact CB-CG 4.44Å; I70-P168 VanDerWaalsContact CG1-CD 3.49Å; I70-P168 HydrophobicContact CG1-CG 3.82Å; Y166-P168 HydrophobicContact CE1-CG 4.01Å; P168-D172 WeakPolarHBondContact CA-OD2 3.49Å; P168-D172 HydrophobicContact CB-CB 3.98Å; P168-I173 HydrophobicContact CB-CG1 4.19Å
169T98.2Very high97.2Very high58 Ų5852.3 Ų52.336%0.35627%0.274SS..  trans-71.8164168.665.10000109.7L167 Q171 D172 I173L167-T169 PolarHBondContact O-N 3.14Å; T169-Q171 PolarHBondContact O-N 3.21Å; T169-Q171 VanDerWaalsContact O-N 3.15Å; T169-Q171 PolarHBondContact OG1-N 2.83Å; T169-D172 PolarHBondContact N-OD2 3.49Å; T169-D172 WeakPolarHBondContact O-CB 3.26Å; T169-D172 PolarHBondContact O-N 3.42Å; T169-D172 VanDerWaalsContact O-N 3.1Å; T169-D172 VanDerWaalsContact OG1-CG 3.24Å; T169-D172 PolarHBondContact OG1-N 2.94Å; T169-D172 VanDerWaalsContact OG1-N 3.15Å; T169-D172 PolarHBondContact OG1-OD2 3.5Å; T169-I173 VanDerWaalsContact O-CG1 3.32Å; T169-I173 WeakPolarHBondContact O-CG1 3.39Å; T169-I173 PolarHBondContact O-N 2.96Å
170E97.9Very high97.1Very high81 Ų8148.6 Ų48.638%0.37926%0.255SS..Hα-helixtrans-56.1-31.9171.7-66.4-176.4161.900111.7I55 I173 L174I55-E170 HydrophobicContact CD1-CB 4.18Å; I55-E170 HydrophobicContact CD1-CG 4.39Å; E170-I173 WeakPolarHBondContact O-CB 3.27Å; E170-I173 PolarHBondContact O-N 3.4Å; E170-L174 WeakPolarHBondContact O-CB 3.15Å; E170-L174 VanDerWaalsContact O-CG 3.24Å; E170-L174 WeakPolarHBondContact O-CG 3.41Å; E170-L174 PolarHBondContact O-N 3.1Å
171Q98.1Very high96.9Very high64 Ų6449.9 Ų49.930%0.29927%0.272SS..Hα-helixtrans-70.6-35.4179-163.567.8-34.200113.3Y153 T169 R175 T326Y153-Q171 HydrophobicContact CE2-CG 3.78Å; Y153-Q171 WeakPolarHBondContact OH-CB 3.5Å; Y153-Q171 WeakPolarHBondContact OH-CG 3.49Å; T169-Q171 PolarHBondContact O-N 3.21Å; T169-Q171 VanDerWaalsContact O-N 3.15Å; T169-Q171 PolarHBondContact OG1-N 2.83Å; Q171-R175 VanDerWaalsContact CG-NH1 3.29Å; Q171-R175 VanDerWaalsContact NE2-CZ 3.27Å; Q171-R175 VanDerWaalsContact NE2-NH2 3.19Å; Q171-R175 WeakPolarHBondContact O-CB 3.5Å; Q171-R175 PolarHBondContact O-N 2.79Å; Q171-T326 PolarHBondContact OE1-O 3.09Å
172D98.5Very high96.6Very high0 Ų050.8 Ų50.80%028%0.281CS..Hα-helixtrans-63.8-46.2168.5-60-49.9000109.7V73 Y153 Y154 R160 Y166 P168 T169 L174 R175 V176V73-D172 HydrophobicContact CG2-CB 4.48Å; Y153-D172 VanDerWaalsContact CE1-OD1 3.3Å; Y153-D172 WeakPolarHBondContact CE1-OD1 3.04Å; Y153-D172 PolarHBondContact OH-OD1 3.37Å; Y153-D172 VanDerWaalsContact OH-OD1 3.09Å; Y154-D172 HydrophobicContact CE1-CB 4.17Å; Y154-D172 PolarHBondContact OH-O 2.88Å; R160-D172 IonicContact CZ-OD1 3.78Å; R160-D172 IonicContact CZ-OD2 3.09Å; R160-D172 IonicContact NH1-OD1 2.86Å; R160-D172 PolarHBondContact NH1-OD1 2.85Å; R160-D172 IonicContact NH1-OD2 2.72Å; R160-D172 PolarHBondContact NH1-OD2 2.91Å; R160-D172 IonicContact NH2-OD1 2.89Å; R160-D172 PolarHBondContact NH2-OD1 2.88Å; R160-D172 IonicContact NH2-OD2 2.89Å; Y166-D172 PolarHBondContact OH-OD2 3.26Å; Y166-D172 VanDerWaalsContact OH-OD2 3.04Å; P168-D172 WeakPolarHBondContact CA-OD2 3.49Å; P168-D172 HydrophobicContact CB-CB 3.98Å; T169-D172 PolarHBondContact N-OD2 3.49Å; T169-D172 WeakPolarHBondContact O-CB 3.26Å; T169-D172 PolarHBondContact O-N 3.42Å; T169-D172 VanDerWaalsContact O-N 3.1Å; T169-D172 VanDerWaalsContact OG1-CG 3.24Å; T169-D172 PolarHBondContact OG1-N 2.94Å; T169-D172 VanDerWaalsContact OG1-N 3.15Å; T169-D172 PolarHBondContact OG1-OD2 3.5Å; D172-L174 VanDerWaalsContact C-N 3.32Å; D172-L174 PolarHBondContact O-N 3.14Å; D172-R175 CarbonylContact O-C 3.59Å; D172-R175 PolarHBondContact O-N 3.4Å; D172-R175 VanDerWaalsContact O-N 3.09Å; D172-V176 PolarHBondContact O-N 2.77Å
173I98.4Very high96.4Very high0 Ų052.4 Ų52.40%029%0.287CS..Hα-helixtrans-61.9-39.9-179.8-60.3169.2000111.5K51 Y61 K66 L69 P168 T169 E170 R175 V176K51-I173 HydrophobicContact CD-CG2 4.29Å; K51-I173 VanDerWaalsContact CD-O 3.29Å; K51-I173 WeakPolarHBondContact CD-O 3.41Å; K51-I173 WeakPolarHBondContact CE-O 3.17Å; K51-I173 PolarHBondContact NZ-O 3.47Å; Y61-I173 HydrophobicContact CD1-CD1 4.11Å; Y61-I173 HydrophobicContact CD1-CG2 4.2Å; Y61-I173 HydrophobicContact CD2-CD1 3.74Å; Y61-I173 HydrophobicContact CD2-CG2 4.07Å; Y61-I173 HydrophobicContact CE1-CG2 3.8Å; Y61-I173 HydrophobicContact CE2-CD1 4.41Å; Y61-I173 HydrophobicContact CE2-CG2 3.66Å; Y61-I173 HydrophobicContact CG-CD1 3.57Å; Y61-I173 HydrophobicContact CG-CG2 4.33Å; K66-I173 HydrophobicContact CG-CD1 3.88Å; L69-I173 HydrophobicContact CD1-CB 4.26Å; L69-I173 HydrophobicContact CD1-CD1 4.38Å; L69-I173 HydrophobicContact CD1-CG1 3.75Å; L69-I173 HydrophobicContact CD1-CG2 3.82Å; P168-I173 HydrophobicContact CB-CG1 4.19Å; T169-I173 VanDerWaalsContact O-CG1 3.32Å; T169-I173 WeakPolarHBondContact O-CG1 3.39Å; T169-I173 PolarHBondContact O-N 2.96Å; E170-I173 WeakPolarHBondContact O-CB 3.27Å; E170-I173 PolarHBondContact O-N 3.4Å; I173-R175 VanDerWaalsContact C-N 3.29Å; I173-R175 PolarHBondContact O-N 2.93Å; I173-V176 WeakPolarHBondContact O-CG1 3.42Å
174L98.3Very high96.3Very high3 Ų352 Ų522%0.01629%0.287CS..Hα-helixtrans-66.7-31.5177.1-70.9169.6000112.4T48 K51 Q52 I55 E170 D172T48-L174 HydrophobicContact CG2-CB 4.25Å; T48-L174 HydrophobicContact CG2-CD2 3.87Å; T48-L174 WeakPolarHBondContact CG2-O 3.36Å; T48-L174 PolarHBondContact OG1-O 2.99Å; K51-L174 HydrophobicContact CB-CD2 3.9Å; Q52-L174 HydrophobicContact CG-CD2 3.7Å; I55-L174 HydrophobicContact CD1-CD1 4.28Å; I55-L174 HydrophobicContact CD1-CD2 4.06Å; I55-L174 HydrophobicContact CD1-CG 4.17Å; E170-L174 WeakPolarHBondContact O-CB 3.15Å; E170-L174 VanDerWaalsContact O-CG 3.24Å; E170-L174 WeakPolarHBondContact O-CG 3.41Å; E170-L174 PolarHBondContact O-N 3.1Å; D172-L174 VanDerWaalsContact C-N 3.32Å; D172-L174 PolarHBondContact O-N 3.14Å
175R98.3Very high96.4Very high51 Ų5150 Ų5019%0.19227%0.266CS..Hα-helixtrans-93-20.5-177.3-79.1172176.460.12.9115.1S150 Y153 Y154 Q171 D172 I173 R177 T326S150-R175 WeakPolarHBondContact CB-O 3.48Å; S150-R175 PolarHBondContact OG-O 3.34Å; Y153-R175 HydrophobicContact CD1-CB 4.26Å; Y153-R175 HydrophobicContact CD1-CG 4.32Å; Y153-R175 HydrophobicContact CE1-CB 4.47Å; Y154-R175 HydrophobicContact CE2-CB 4.21Å; Q171-R175 VanDerWaalsContact CG-NH1 3.29Å; Q171-R175 VanDerWaalsContact NE2-CZ 3.27Å; Q171-R175 VanDerWaalsContact NE2-NH2 3.19Å; Q171-R175 WeakPolarHBondContact O-CB 3.5Å; Q171-R175 PolarHBondContact O-N 2.79Å; D172-R175 CarbonylContact O-C 3.59Å; D172-R175 PolarHBondContact O-N 3.4Å; D172-R175 VanDerWaalsContact O-N 3.09Å; I173-R175 VanDerWaalsContact C-N 3.29Å; I173-R175 PolarHBondContact O-N 2.93Å; R175-R177 PolarHBondContact O-N 3.07Å; R175-T326 HydrophobicContact CG-CG2 4.31Å; R175-T326 VanDerWaalsContact NH1-CB 3.28Å; R175-T326 PolarHBondContact NH2-OG1 2.87Å
176V97.9Very high96.3Very high4 Ų446 Ų462%0.02424%0.241CC..  trans-65.2122.7-179.171.30000110K51 L69 R72 V73 Y154 D172 I173K51-V176 PolarHBondContact NZ-O 3.43Å; L69-V176 HydrophobicContact CD2-CG1 4.27Å; R72-V176 HydrophobicContact CB-CG2 3.66Å; V73-V176 HydrophobicContact CG2-CB 4.32Å; V73-V176 HydrophobicContact CG2-CG2 4.16Å; Y154-V176 WeakPolarHBondContact OH-CA 3.44Å; Y154-V176 WeakPolarHBondContact OH-CB 3.47Å; Y154-V176 PolarHBondContact OH-N 3.18Å; D172-V176 PolarHBondContact O-N 2.77Å; I173-V176 WeakPolarHBondContact O-CG1 3.42Å
177R96Very high96.1Very high58 Ų5848.2 Ų48.222%0.21926%0.258CS..  trans-87.4121.6178.4-176.661.8176.9146.57.7109.3E43 N76 R175E43-R177 VanDerWaalsContact CG-NH2 3.33Å; E43-R177 IonicContact OE1-NE 3.89Å; E43-R177 PolarHBondContact OE1-NE 3.38Å; N76-R177 PolarHBondContact ND2-O 3.1Å; N76-R177 VanDerWaalsContact ND2-O 3.1Å; N76-R177 VanDerWaalsContact OD1-CB 3.26Å; N76-R177 WeakPolarHBondContact OD1-CB 3.44Å; N76-R177 PolarHBondContact OD1-N 2.76Å; R175-R177 PolarHBondContact O-N 3.07Å
178V94.9Very high95.8Very high60 Ų6046 Ų4636%0.36425%0.246SC..  trans-128.2120.7165.1-177.40000106.3R72 T180R72-V178 HydrophobicContact CG-CG2 4.42Å; V178-T180 PolarHBondContact O-N 2.81Å; V178-T180 VanDerWaalsContact O-N 3.17Å
179P94.8Very high95.3Very high75 Ų7551.4 Ų51.449%0.48728%0.275SS..  trans-55.7118170.5-28.737.9000110.8T181P179-T181 PolarHBondContact O-N 3.46Å
180T95.5Very high94.6Very high14 Ų1449.9 Ų49.99%0.08626%0.264CS..  trans-69.2123.9173.7-51.90000109S47 V178 I184 G201S47-T180 PolarHBondContact OG-OG1 3.39Å; V178-T180 PolarHBondContact O-N 2.81Å; V178-T180 VanDerWaalsContact O-N 3.17Å; T180-I184 HydrophobicContact CG2-CD1 3.97Å; T180-I184 HydrophobicContact CG2-CG1 4.46Å; T180-G201 VanDerWaalsContact O-CA 3.29Å; T180-G201 WeakPolarHBondContact O-CA 3.36Å
181T93.5Very high93.9Very high103 Ų10353 Ų5363%0.63228%0.279SS*.  trans-114136.3174.958.30000108.9P179 E206P179-T181 PolarHBondContact O-N 3.46Å; T181-E206 WeakPolarHBondContact CA-OE2 3.44Å
182G91.3Very high93Very high20 Ų2057.4 Ų57.421%0.20630%0.299CS..SBendtrans71.3-148.6-177.500000114.1G201 E206G182-G201 PolarHBondContact O-N 3.17Å; G182-E206 PolarHBondContact N-OE2 2.72Å
183I93.9Very high92.5Very high62 Ų6259.4 Ų59.432%0.31831%0.31SS..EExtended strand (participates in β ladder)trans-122.5124.9-174.5-54.9176.5000107.5V198 D199 V200 H212 C213I183-V198 HydrophobicContact CG2-CG1 3.49Å; I183-V198 VanDerWaalsContact CG2-CG1 3.49Å; I183-D199 WeakPolarHBondContact CA-O 3.33Å; I183-V200 HydrophobicContact CB-CG1 4.45Å; I183-V200 HydrophobicContact CG1-CG1 4.05Å; I183-V200 HydrophobicContact CG2-CG1 4.21Å; I183-H212 HydrophobicContact CD1-CB 3.76Å; I183-C213 HydrophobicContact CD1-CB 4.25Å; I183-C213 HydrophobicContact CG2-CB 4.39Å
184I94.4Very high92.1Very high91 Ų9161.8 Ų61.847%0.46732%0.322SS..EExtended strand (participates in β ladder)trans-120.4125.7179.9-57.3178000107.8T180 D199T180-I184 HydrophobicContact CG2-CD1 3.97Å; T180-I184 HydrophobicContact CG2-CG1 4.46Å; I184-D199 HydrophobicContact CB-CB 4.31Å; I184-D199 PolarHBondContact N-O 3Å; I184-D199 PolarHBondContact O-N 3.2Å
185E95.4Very high91.9Very high94 Ų9461.7 Ų61.744%0.43932%0.322SS..EExtended strand (participates in β ladder)trans-103.3136.5176-60.4-170.9-176.800110.9R196 M197 V198E185-R196 VanDerWaalsContact OE2-CD 3.29Å; E185-R196 WeakPolarHBondContact OE2-CD 3.26Å; E185-R196 IonicContact OE2-CZ 3.28Å; E185-R196 IonicContact OE2-NE 2.95Å; E185-R196 IonicContact OE2-NH1 3.81Å; E185-R196 PolarHBondContact OE2-NH1 3.48Å; E185-M197 CarbonylContact C-O 3.52Å; E185-M197 VanDerWaalsContact CA-O 3.31Å; E185-M197 WeakPolarHBondContact CA-O 3.36Å; E185-V198 HydrophobicContact CG-CG2 4.25Å
186Y94Very high91.7Very high49 Ų4962.1 Ų62.119%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-127.2100.8176.8-177.1-100.2000109.7I50 M53 R54 F188 M197I50-Y186 HydrophobicContact CG2-CD1 4.19Å; I50-Y186 HydrophobicContact CG2-CG 3.93Å; M53-Y186 HydrophobicContact CB-CE1 4.18Å; R54-Y186 VanDerWaalsContact CA-OH 3.3Å; R54-Y186 WeakPolarHBondContact CA-OH 3.3Å; R54-Y186 HydrophobicContact CB-CE1 4.49Å; R54-Y186 HydrophobicContact CB-CE2 4.19Å; R54-Y186 HydrophobicContact CG-CE2 4.3Å; Y186-F188 AromaticContact CD1-CD1 3.85Å; Y186-F188 HydrophobicContact CD1-CD1 3.85Å; Y186-F188 HydrophobicContact CE1-CB 3.98Å; Y186-F188 AromaticContact CE1-CD1 3.69Å; Y186-F188 HydrophobicContact CE1-CD1 3.69Å; Y186-F188 HydrophobicContact CE1-CG 4.18Å; Y186-M197 PolarHBondContact N-O 3.2Å; Y186-M197 PolarHBondContact O-N 2.94Å
187P92.8Very high91.6Very high67 Ų6762 Ų6244%0.43532%0.322SS..EExtended strand (participates in β ladder)trans-82.8140.6172.533-32.2000110.9F195P187-F195 CarbonylContact C-O 3.49Å; P187-F195 VanDerWaalsContact CA-O 3.3Å; P187-F195 WeakPolarHBondContact CA-O 3.37Å
188F90.8Very high91.7Very high9 Ų959.2 Ų59.24%0.03931%0.312CS..EExtended strand (participates in β ladder)trans-145.5149.5164.664.7-83.2000111M53 H57 Y186 F195 M197 F335M53-F188 HydrophobicContact CB-CD1 4.47Å; M53-F188 HydrophobicContact CB-CE1 4.13Å; M53-F188 HydrophobicContact CB-CZ 4.47Å; M53-F188 HydrophobicContact CG-CE1 4.26Å; M53-F188 HydrophobicContact CG-CZ 4.37Å; M53-F188 HydrophobicContact SD-CZ 4.14Å; H57-F188 HydrophobicContact CB-CD2 3.64Å; H57-F188 HydrophobicContact CB-CE2 3.99Å; H57-F188 HydrophobicContact CB-CG 4.35Å; H57-F188 AromaticContact CD2-CE2 3.84Å; Y186-F188 AromaticContact CD1-CD1 3.85Å; Y186-F188 HydrophobicContact CD1-CD1 3.85Å; Y186-F188 HydrophobicContact CE1-CB 3.98Å; Y186-F188 AromaticContact CE1-CD1 3.69Å; Y186-F188 HydrophobicContact CE1-CD1 3.69Å; Y186-F188 HydrophobicContact CE1-CG 4.18Å; F188-F195 HydrophobicContact CD1-CB 4.02Å; F188-F195 HydrophobicContact CD2-CB 4.26Å; F188-F195 HydrophobicContact CE1-CB 3.52Å; F188-F195 HydrophobicContact CE1-CG 4.47Å; F188-F195 HydrophobicContact CE2-CB 3.8Å; F188-F195 HydrophobicContact CE2-CD2 4Å; F188-F195 HydrophobicContact CE2-CG 4.08Å; F188-F195 HydrophobicContact CG-CB 4.37Å; F188-F195 HydrophobicContact CZ-CB 3.42Å; F188-F195 VanDerWaalsContact CZ-CB 3.42Å; F188-F195 HydrophobicContact CZ-CD2 4.3Å; F188-F195 AromaticContact CZ-CG 3.9Å; F188-F195 HydrophobicContact CZ-CG 3.9Å; F188-F195 PolarHBondContact N-O 3.21Å; F188-F195 PolarHBondContact O-N 2.9Å; F188-M197 HydrophobicContact CD1-SD 4.43Å; F188-M197 HydrophobicContact CE1-CG 3.86Å; F188-M197 HydrophobicContact CE1-SD 3.59Å; F188-M197 VanDerWaalsContact CE1-SD 3.59Å; F188-M197 HydrophobicContact CZ-SD 4.42Å; F188-F335 AromaticContact CE2-CE1 3.99Å; F188-F335 HydrophobicContact CE2-CE1 3.99Å; F188-F335 HydrophobicContact CE2-CZ 4.04Å; F188-F335 AromaticContact CZ-CE1 3.88Å; F188-F335 HydrophobicContact CZ-CE1 3.88Å; F188-F335 HydrophobicContact CZ-CE2 4.31Å; F188-F335 AromaticContact CZ-CZ 3.51Å; F188-F335 HydrophobicContact CZ-CZ 3.51Å
189D87.9Confident91.8Very high116 Ų11656.7 Ų56.762%0.6230%0.296SS*.EExtended strand (participates in β ladder)trans-94.2132-179.7-63.8-47.7000110.4I194D189-I194 WeakPolarHBondContact OD1-CG1 3.38Å
190L85.1Confident91.9Very high26 Ų2653.1 Ų53.114%0.13627%0.273CS..EExtended strand (participates in β ladder)trans-136.8117.1171.5-169.172000109.2Q192 I193 F195 F335 R339L190-Q192 VanDerWaalsContact C-N 3.25Å; L190-Q192 PolarHBondContact O-N 2.84Å; L190-Q192 VanDerWaalsContact O-N 3.13Å; L190-I193 PolarHBondContact N-O 3.47Å; L190-I193 WeakPolarHBondContact O-CB 3.45Å; L190-I193 PolarHBondContact O-N 3.02Å; L190-F195 HydrophobicContact CB-CD2 4.01Å; L190-F195 HydrophobicContact CB-CE2 3.97Å; L190-F195 HydrophobicContact CD2-CE2 4.17Å; L190-F335 HydrophobicContact CD2-CE1 4.36Å; L190-R339 VanDerWaalsContact CD2-CD 3.46Å; L190-R339 HydrophobicContact CD2-CG 4.34Å
191E81.9Confident91.9Very high147 Ų14752.5 Ų52.569%0.68727%0.27SS*.THydrogen-bonded Turntrans50.441.7174.3-61.4175.1-158.100113.9I193 R339E191-I193 VanDerWaalsContact C-N 3.29Å; E191-I193 PolarHBondContact O-N 3.31Å; E191-R339 IonicContact OE1-NH1 2.78Å; E191-R339 PolarHBondContact OE1-NH1 3.09Å; E191-R339 VanDerWaalsContact OE1-NH1 3.1Å; E191-R339 IonicContact OE2-NH1 3.54Å
192Q79.8Confident91.9Very high156 Ų15647.7 Ų47.773%0.72924%0.241SC*.THydrogen-bonded Turntrans74.36.5-177.8-44.1176.12.300116.2L190L190-Q192 VanDerWaalsContact C-N 3.25Å; L190-Q192 PolarHBondContact O-N 2.84Å; L190-Q192 VanDerWaalsContact O-N 3.13Å
193I87.6Confident92.1Very high42 Ų4248.4 Ų48.422%0.21524%0.239CC..EExtended strand (participates in β ladder)trans-107.1131.9173.1-57-178.4000108.3L34 L190 E191 F195 L343L34-I193 HydrophobicContact CD1-CG2 3.59Å; L34-I193 HydrophobicContact CG-CG2 3.81Å; L190-I193 PolarHBondContact N-O 3.47Å; L190-I193 WeakPolarHBondContact O-CB 3.45Å; L190-I193 PolarHBondContact O-N 3.02Å; E191-I193 VanDerWaalsContact C-N 3.29Å; E191-I193 PolarHBondContact O-N 3.31Å; I193-F195 HydrophobicContact CB-CE2 4.12Å; I193-F195 HydrophobicContact CG2-CD2 4.27Å; I193-F195 HydrophobicContact CG2-CE2 3.81Å; I193-F195 HydrophobicContact CG2-CZ 4.12Å; I193-L343 HydrophobicContact CD1-CD1 4.1Å; I193-L343 HydrophobicContact CD1-CD2 3.3Å; I193-L343 HydrophobicContact CD1-CG 4.35Å
194I90.2Very high92.1Very high51 Ų5149.3 Ų49.326%0.26224%0.238SC..EExtended strand (participates in β ladder)trans-93.5115.1179.3-49-173.2000107.5R32 E33 L34 D189R32-I194 PolarHBondContact O-N 2.85Å; E33-I194 CarbonylContact C-O 3.59Å; E33-I194 VanDerWaalsContact CA-O 3.31Å; E33-I194 WeakPolarHBondContact CA-O 3.47Å; E33-I194 HydrophobicContact CB-CB 4.37Å; E33-I194 HydrophobicContact CG-CB 4.17Å; E33-I194 HydrophobicContact CG-CG2 4.22Å; L34-I194 PolarHBondContact N-O 3.16Å; D189-I194 WeakPolarHBondContact OD1-CG1 3.38Å
195F93.2Very high92.1Very high1 Ų149.3 Ų49.30%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-93.3116171.6-73.6-87.6000108.9L34 L36 P187 F188 L190 I193 F335 R339L34-F195 HydrophobicContact CB-CD1 4.21Å; L34-F195 HydrophobicContact CB-CE1 4.3Å; L34-F195 HydrophobicContact CD1-CD1 4.4Å; L34-F195 HydrophobicContact CD1-CE1 3.71Å; L34-F195 HydrophobicContact CD1-CZ 3.89Å; L36-F195 HydrophobicContact CD1-CD1 3.62Å; L36-F195 HydrophobicContact CD1-CE1 4.33Å; L36-F195 HydrophobicContact CG-CD1 4.18Å; P187-F195 CarbonylContact C-O 3.49Å; P187-F195 VanDerWaalsContact CA-O 3.3Å; P187-F195 WeakPolarHBondContact CA-O 3.37Å; F188-F195 HydrophobicContact CD1-CB 4.02Å; F188-F195 HydrophobicContact CD2-CB 4.26Å; F188-F195 HydrophobicContact CE1-CB 3.52Å; F188-F195 HydrophobicContact CE1-CG 4.47Å; F188-F195 HydrophobicContact CE2-CB 3.8Å; F188-F195 HydrophobicContact CE2-CD2 4Å; F188-F195 HydrophobicContact CE2-CG 4.08Å; F188-F195 HydrophobicContact CG-CB 4.37Å; F188-F195 HydrophobicContact CZ-CB 3.42Å; F188-F195 VanDerWaalsContact CZ-CB 3.42Å; F188-F195 HydrophobicContact CZ-CD2 4.3Å; F188-F195 AromaticContact CZ-CG 3.9Å; F188-F195 HydrophobicContact CZ-CG 3.9Å; F188-F195 PolarHBondContact N-O 3.21Å; F188-F195 PolarHBondContact O-N 2.9Å; L190-F195 HydrophobicContact CB-CD2 4.01Å; L190-F195 HydrophobicContact CB-CE2 3.97Å; L190-F195 HydrophobicContact CD2-CE2 4.17Å; I193-F195 HydrophobicContact CB-CE2 4.12Å; I193-F195 HydrophobicContact CG2-CD2 4.27Å; I193-F195 HydrophobicContact CG2-CE2 3.81Å; I193-F195 HydrophobicContact CG2-CZ 4.12Å; F195-F335 HydrophobicContact CD1-CZ 4.31Å; F195-F335 HydrophobicContact CE1-CZ 4.46Å; F195-F335 HydrophobicContact CG-CZ 4.49Å; F195-R339 HydrophobicContact CZ-CG 3.91Å
196R95Very high92.1Very high60 Ų6046 Ų4623%0.22623%0.23CC..EExtended strand (participates in β ladder)trans-101.3101.3173.5-178.7-179.4-62.2-74.1-12.2109.2E33 L34 K35 L36 E185E33-R196 HydrophobicContact CG-CB 4.33Å; E33-R196 WeakPolarHBondContact OE1-CD 3.4Å; E33-R196 IonicContact OE1-CZ 3.74Å; E33-R196 IonicContact OE1-NE 3.6Å; E33-R196 PolarHBondContact OE1-NE 3.21Å; E33-R196 IonicContact OE1-NH2 3.46Å; E33-R196 PolarHBondContact OE1-NH2 3.44Å; E33-R196 IonicContact OE2-CZ 3.62Å; E33-R196 IonicContact OE2-NE 2.65Å; E33-R196 IonicContact OE2-NH2 2.99Å; E33-R196 PolarHBondContact OE2-NH2 2.89Å; L34-R196 PolarHBondContact O-N 3.19Å; K35-R196 WeakPolarHBondContact CA-O 3.48Å; L36-R196 PolarHBondContact N-O 3.19Å; E185-R196 VanDerWaalsContact OE2-CD 3.29Å; E185-R196 WeakPolarHBondContact OE2-CD 3.26Å; E185-R196 IonicContact OE2-CZ 3.28Å; E185-R196 IonicContact OE2-NE 2.95Å; E185-R196 IonicContact OE2-NH1 3.81Å; E185-R196 PolarHBondContact OE2-NH1 3.48Å
197M96Very high92.1Very high0 Ų046 Ų460%023%0.23CC..EExtended strand (participates in β ladder)trans-86.1135.8174.3-63.1-179.59200110.8L36 L38 F49 I50 M53 E185 Y186 F188 M221L36-M197 HydrophobicContact CB-CG 4.29Å; L36-M197 HydrophobicContact CD1-CG 4.24Å; L36-M197 CarbonylContact O-C 3.57Å; L36-M197 WeakPolarHBondContact O-CA 3.32Å; L38-M197 HydrophobicContact CD1-CB 3.99Å; L38-M197 HydrophobicContact CD1-CE 3.67Å; L38-M197 HydrophobicContact CD1-CG 4.39Å; L38-M197 HydrophobicContact CD2-CE 4.06Å; L38-M197 HydrophobicContact CG-CE 4.38Å; F49-M197 HydrophobicContact CD1-CE 3.43Å; F49-M197 VanDerWaalsContact CD1-CE 3.43Å; F49-M197 HydrophobicContact CE1-CE 3.5Å; F49-M197 VanDerWaalsContact CE1-CE 3.5Å; I50-M197 HydrophobicContact CD1-CB 4.4Å; I50-M197 HydrophobicContact CG1-CB 4.29Å; I50-M197 HydrophobicContact CG1-CE 3.94Å; I50-M197 HydrophobicContact CG1-SD 4.08Å; M53-M197 HydrophobicContact CB-SD 3.92Å; M53-M197 HydrophobicContact CG-CE 3.85Å; M53-M197 HydrophobicContact CG-SD 3.45Å; M53-M197 WeakPolarHBondContact CG-SD 3.34Å; E185-M197 CarbonylContact C-O 3.52Å; E185-M197 VanDerWaalsContact CA-O 3.31Å; E185-M197 WeakPolarHBondContact CA-O 3.36Å; Y186-M197 PolarHBondContact N-O 3.2Å; Y186-M197 PolarHBondContact O-N 2.94Å; F188-M197 HydrophobicContact CD1-SD 4.43Å; F188-M197 HydrophobicContact CE1-CG 3.86Å; F188-M197 HydrophobicContact CE1-SD 3.59Å; F188-M197 VanDerWaalsContact CE1-SD 3.59Å; F188-M197 HydrophobicContact CZ-SD 4.42Å; M197-M221 HydrophobicContact CE-SD 4.24Å
198V97.5Very high92.1Very high0 Ų053.5 Ų53.50%025%0.25CC..EExtended strand (participates in β ladder)trans-116109.6178.4-172.90000108.4K35 L36 L37 L38 I183 E185 V200 C213K35-V198 HydrophobicContact CG-CG2 4.13Å; L36-V198 PolarHBondContact O-N 2.86Å; L37-V198 HydrophobicContact CD1-CB 3.82Å; L37-V198 HydrophobicContact CD1-CG1 3.84Å; L38-V198 PolarHBondContact N-O 3.41Å; I183-V198 HydrophobicContact CG2-CG1 3.49Å; I183-V198 VanDerWaalsContact CG2-CG1 3.49Å; E185-V198 HydrophobicContact CG-CG2 4.25Å; V198-V200 HydrophobicContact CG1-CG1 4.28Å; V198-C213 HydrophobicContact CG1-CB 3.95Å
199D97.3Very high92.3Very high7 Ų756.8 Ų56.84%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-86.9141.5168.8-152.18.8000110.2K46 S47 I50 I183 I184K46-D199 WeakPolarHBondContact CB-OD1 3.5Å; S47-D199 WeakPolarHBondContact CA-OD2 3.4Å; S47-D199 VanDerWaalsContact CB-OD2 3.25Å; S47-D199 WeakPolarHBondContact CB-OD2 3.22Å; S47-D199 PolarHBondContact OG-OD2 3.04Å; I50-D199 HydrophobicContact CD1-CB 3.32Å; I183-D199 WeakPolarHBondContact CA-O 3.33Å; I184-D199 HydrophobicContact CB-CB 4.31Å; I184-D199 PolarHBondContact N-O 3Å; I184-D199 PolarHBondContact O-N 3.2Å
200V97.1Very high92.7Very high1 Ų151.8 Ų51.81%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-136.7150.6174.1-62.70000110.9L37 L38 L39 K46 I183 V198 G202 W210L37-V200 HydrophobicContact CD1-CG1 4.44Å; L38-V200 WeakPolarHBondContact O-CG2 3.45Å; L39-V200 HydrophobicContact CD2-CG2 3.75Å; K46-V200 WeakPolarHBondContact CE-O 3.39Å; I183-V200 HydrophobicContact CB-CG1 4.45Å; I183-V200 HydrophobicContact CG1-CG1 4.05Å; I183-V200 HydrophobicContact CG2-CG1 4.21Å; V198-V200 HydrophobicContact CG1-CG1 4.28Å; V200-G202 PolarHBondContact O-N 2.76Å; V200-W210 HydrophobicContact CG2-CD2 4.19Å; V200-W210 HydrophobicContact CG2-CG 4.14Å; V200-W210 HydrophobicContact CG2-CZ2 4.21Å; V200-W210 VanDerWaalsContact CG2-NE1 3.26Å
201G95.7Very high93.1Very high1 Ų155.1 Ų55.11%0.0125%0.253CS..  trans-56.9126.9172.700000111.8T180 G182 E206 W210T180-G201 VanDerWaalsContact O-CA 3.29Å; T180-G201 WeakPolarHBondContact O-CA 3.36Å; G182-G201 PolarHBondContact O-N 3.17Å; G201-E206 WeakPolarHBondContact O-CB 3.32Å; G201-W210 WeakPolarHBondContact O-CZ2 3.45Å; G201-W210 PolarHBondContact O-NE1 2.65Å
202G93.7Very high93.6Very high2 Ų255.3 Ų55.32%0.02125%0.254CS..  trans-85.4-20.3-176.700000114.9G40 G42 V200 R207G40-G202 WeakPolarHBondContact O-CA 3.33Å; G42-G202 VanDerWaalsContact N-C 3.33Å; G42-G202 PolarHBondContact N-O 2.81Å; V200-G202 PolarHBondContact O-N 2.76Å; G202-R207 PolarHBondContact O-NE 3.28Å; G202-R207 VanDerWaalsContact O-NE 3.16Å
203Q94.4Very high94.3Very high35 Ų3548 Ų4816%0.16422%0.22CC..SBendtrans-63.5150.3-179.3-62.592.6-33.300111S205 E206 R207Q203-S205 PolarHBondContact O-N 3.05Å; Q203-S205 VanDerWaalsContact O-N 3.14Å; Q203-E206 PolarHBondContact O-N 2.95Å; Q203-R207 WeakPolarHBondContact O-CG 3.27Å; Q203-R207 PolarHBondContact O-N 2.85Å
204R94.3Very high94.6Very high81 Ų8146.5 Ų46.531%0.30621%0.212SC..THydrogen-bonded Turntrans-54-38-177.1-76.4-177166.4-179.5-5.4112.9E206 R207 E235 E239 E244R204-E206 VanDerWaalsContact C-N 3.27Å; R204-E206 PolarHBondContact O-N 3.43Å; R204-R207 PolarHBondContact O-N 3.26Å; R204-E235 PolarHBondContact N-OE1 3.02Å; R204-E239 IonicContact CZ-OE1 2.76Å; R204-E239 IonicContact CZ-OE2 2.91Å; R204-E239 IonicContact NH1-OE1 3.13Å; R204-E239 PolarHBondContact NH1-OE1 2.9Å; R204-E239 IonicContact NH1-OE2 2.71Å; R204-E239 VanDerWaalsContact NH2-CD 3.34Å; R204-E239 IonicContact NH2-OE1 3.52Å; R204-E239 PolarHBondContact NH2-OE1 3.22Å; R204-E239 IonicContact NH2-OE2 3.75Å; R204-E239 PolarHBondContact NH2-OE2 3.38Å; R204-E244 IonicContact CZ-OE1 3.96Å; R204-E244 IonicContact CZ-OE2 2.55Å; R204-E244 IonicContact NE-OE1 2.89Å; R204-E244 PolarHBondContact NE-OE1 3.31Å; R204-E244 IonicContact NE-OE2 2.86Å; R204-E244 IonicContact NH2-OE1 2.7Å; R204-E244 PolarHBondContact NH2-OE1 3.26Å; R204-E244 IonicContact NH2-OE2 3.25Å; R204-E244 PolarHBondContact NH2-OE2 3.26Å
205S93.7Very high94.7Very high90 Ų9050.2 Ų50.263%0.62923%0.228SC*.THydrogen-bonded Turntrans-63.2-28177.853.40000114.2Q203Q203-S205 PolarHBondContact O-N 3.05Å; Q203-S205 VanDerWaalsContact O-N 3.14Å
206E95.3Very high94.5Very high25 Ų2556.9 Ų56.912%0.11726%0.264CS..THydrogen-bonded Turntrans-91-20.8-175.7-64.6-61.1106.200112.9T181 G182 G201 Q203 R204 R208 K209T181-E206 WeakPolarHBondContact CA-OE2 3.44Å; G182-E206 PolarHBondContact N-OE2 2.72Å; G201-E206 WeakPolarHBondContact O-CB 3.32Å; Q203-E206 PolarHBondContact O-N 2.95Å; R204-E206 VanDerWaalsContact C-N 3.27Å; R204-E206 PolarHBondContact O-N 3.43Å; E206-R208 PolarHBondContact O-N 3.49Å; E206-R208 VanDerWaalsContact O-N 3.14Å; E206-K209 WeakPolarHBondContact O-CB 3.3Å; E206-K209 PolarHBondContact O-N 2.78Å; E206-K209 IonicContact OE1-NZ 3.52Å; E206-K209 PolarHBondContact OE1-NZ 2.8Å; E206-K209 IonicContact OE2-NZ 3.69Å; E206-K209 PolarHBondContact OE2-NZ 3.32Å
207R94.9Very high94.5Very high49 Ų4954.6 Ų54.619%0.18526%0.256CS..G310 helixtrans-62.3-26.6-172.4-55.3-163.6-169.5151.87.1114.6G202 Q203 R204 K209 W210 E244G202-R207 PolarHBondContact O-NE 3.28Å; G202-R207 VanDerWaalsContact O-NE 3.16Å; Q203-R207 WeakPolarHBondContact O-CG 3.27Å; Q203-R207 PolarHBondContact O-N 2.85Å; R204-R207 PolarHBondContact O-N 3.26Å; R207-K209 PolarHBondContact O-N 3.4Å; R207-W210 HydrophobicContact CB-CD2 4.13Å; R207-W210 HydrophobicContact CB-CE3 4.44Å; R207-W210 HydrophobicContact CB-CZ2 4.29Å; R207-W210 HydrophobicContact CG-CD2 4.38Å; R207-W210 HydrophobicContact CG-CH2 3.97Å; R207-W210 HydrophobicContact CG-CZ2 3.64Å; R207-W210 HydrophobicContact CG-CZ3 4.46Å; R207-W210 VanDerWaalsContact O-CB 3.3Å; R207-W210 WeakPolarHBondContact O-CB 3.27Å; R207-W210 VanDerWaalsContact O-CG 3.28Å; R207-W210 PolarHBondContact O-N 2.99Å; R207-W210 VanDerWaalsContact O-N 3.11Å; R207-E244 IonicContact CZ-OE1 3.1Å; R207-E244 IonicContact NH1-OE1 3.97Å; R207-E244 PolarHBondContact NH1-OE1 3.07Å; R207-E244 IonicContact NH2-OE1 2.74Å; R207-E244 PolarHBondContact NH2-OE1 3.02Å
208R93.2Very high94.4Very high224 Ų22455.7 Ų55.785%0.84526%0.264SS*.G310 helixtrans-60.1-27.3174.8-67.2-178.2-179.4177.20.6112.4E206 W210E206-R208 PolarHBondContact O-N 3.49Å; E206-R208 VanDerWaalsContact O-N 3.14Å; R208-W210 VanDerWaalsContact C-N 3.31Å
209K95Very high94.3Very high79 Ų7955.7 Ų55.734%0.34326%0.264SS..G310 helixtrans-77.4-17.5-179.5-57173.9-173.4166.80112.3E206 R207 I211 H212E206-K209 WeakPolarHBondContact O-CB 3.3Å; E206-K209 PolarHBondContact O-N 2.78Å; E206-K209 IonicContact OE1-NZ 3.52Å; E206-K209 PolarHBondContact OE1-NZ 2.8Å; E206-K209 IonicContact OE2-NZ 3.69Å; E206-K209 PolarHBondContact OE2-NZ 3.32Å; R207-K209 PolarHBondContact O-N 3.4Å; K209-I211 VanDerWaalsContact C-N 3.25Å; K209-I211 PolarHBondContact O-N 3.09Å; K209-H212 WeakPolarHBondContact O-CB 3.39Å; K209-H212 PolarHBondContact O-CD2 3.35Å; K209-H212 PolarHBondContact O-N 3.34Å; K209-H212 VanDerWaalsContact O-N 3.15Å
210W95.8Very high94.2Very high10 Ų1055.4 Ų55.44%0.03826%0.262CS..G310 helixtrans-61.1-32.9-173.6-66.12.2000113.4L39 V200 G201 R207 R208 H212 C213 F214 L248 I252L39-W210 HydrophobicContact CD2-CD2 3.89Å; L39-W210 HydrophobicContact CD2-CE3 3.72Å; L39-W210 HydrophobicContact CD2-CG 4.46Å; L39-W210 HydrophobicContact CD2-CH2 4.31Å; L39-W210 HydrophobicContact CD2-CZ2 4.47Å; L39-W210 HydrophobicContact CD2-CZ3 3.93Å; V200-W210 HydrophobicContact CG2-CD2 4.19Å; V200-W210 HydrophobicContact CG2-CG 4.14Å; V200-W210 HydrophobicContact CG2-CZ2 4.21Å; V200-W210 VanDerWaalsContact CG2-NE1 3.26Å; G201-W210 WeakPolarHBondContact O-CZ2 3.45Å; G201-W210 PolarHBondContact O-NE1 2.65Å; R207-W210 HydrophobicContact CB-CD2 4.13Å; R207-W210 HydrophobicContact CB-CE3 4.44Å; R207-W210 HydrophobicContact CB-CZ2 4.29Å; R207-W210 HydrophobicContact CG-CD2 4.38Å; R207-W210 HydrophobicContact CG-CH2 3.97Å; R207-W210 HydrophobicContact CG-CZ2 3.64Å; R207-W210 HydrophobicContact CG-CZ3 4.46Å; R207-W210 VanDerWaalsContact O-CB 3.3Å; R207-W210 WeakPolarHBondContact O-CB 3.27Å; R207-W210 VanDerWaalsContact O-CG 3.28Å; R207-W210 PolarHBondContact O-N 2.99Å; R207-W210 VanDerWaalsContact O-N 3.11Å; R208-W210 VanDerWaalsContact C-N 3.31Å; W210-H212 PolarHBondContact O-N 3.03Å; W210-C213 PolarHBondContact O-N 3.41Å; W210-C213 PolarHBondContact O-SG 3.27Å; W210-F214 HydrophobicContact CB-CE1 3.69Å; W210-F214 HydrophobicContact CB-CZ 3.91Å; W210-F214 WeakPolarHBondContact O-CD1 3.29Å; W210-F214 VanDerWaalsContact O-CE1 3.25Å; W210-F214 WeakPolarHBondContact O-CE1 3.4Å; W210-L248 HydrophobicContact CH2-CD1 3.99Å; W210-L248 HydrophobicContact CH2-CD2 3.79Å; W210-L248 HydrophobicContact CH2-CG 4.36Å; W210-L248 HydrophobicContact CZ3-CD1 3.72Å; W210-L248 HydrophobicContact CZ3-CD2 4.29Å; W210-L248 HydrophobicContact CZ3-CG 4.38Å; W210-I252 HydrophobicContact CE3-CD1 4.21Å; W210-I252 HydrophobicContact CZ3-CD1 4.04Å; W210-I252 HydrophobicContact CZ3-CG1 4.49Å
211I92.7Very high94.3Very high96 Ų9655.3 Ų55.349%0.49226%0.261SS..G310 helixtrans-54.2-28.6178.7-166.7167.4000112.9K209 C213 F214K209-I211 VanDerWaalsContact C-N 3.25Å; K209-I211 PolarHBondContact O-N 3.09Å; I211-C213 PolarHBondContact O-N 3.12Å; I211-C213 VanDerWaalsContact O-N 3.13Å; I211-F214 PolarHBondContact O-N 3.5Å
212H93.2Very high94.4Very high152 Ų15255.3 Ų55.370%0.70426%0.261SS*.G310 helixtrans-70.6-4.5179.5-59.6-61.2000114.4I183 K209 W210I183-H212 HydrophobicContact CD1-CB 3.76Å; K209-H212 WeakPolarHBondContact O-CB 3.39Å; K209-H212 PolarHBondContact O-CD2 3.35Å; K209-H212 PolarHBondContact O-N 3.34Å; K209-H212 VanDerWaalsContact O-N 3.15Å; W210-H212 PolarHBondContact O-N 3.03Å
213C94.6Very high94.6Very high3 Ų355.3 Ų55.32%0.0226%0.261CS..G310 helixtrans-12511.6177.865.10000114.2K35 L37 I183 V198 W210 I211 V217K35-C213 VanDerWaalsContact CE-O 3.28Å; K35-C213 WeakPolarHBondContact CE-O 3.42Å; K35-C213 PolarHBondContact NZ-O 2.68Å; L37-C213 HydrophobicContact CD1-CB 4.44Å; L37-C213 WeakPolarHBondContact CD1-SG 3.31Å; I183-C213 HydrophobicContact CD1-CB 4.25Å; I183-C213 HydrophobicContact CG2-CB 4.39Å; V198-C213 HydrophobicContact CG1-CB 3.95Å; W210-C213 PolarHBondContact O-N 3.41Å; W210-C213 PolarHBondContact O-SG 3.27Å; I211-C213 PolarHBondContact O-N 3.12Å; I211-C213 VanDerWaalsContact O-N 3.13Å; C213-V217 WeakPolarHBondContact O-CG2 3.31Å
214F94.4Very high94.8Very high10 Ų1053.7 Ų53.74%0.04425%0.253CS..  trans-80-16.6-175.8-75.48.7000114.5L37 W210 I211 Y255 W257 F258L37-F214 HydrophobicContact CD2-CD1 3.75Å; L37-F214 HydrophobicContact CD2-CE1 3.89Å; W210-F214 HydrophobicContact CB-CE1 3.69Å; W210-F214 HydrophobicContact CB-CZ 3.91Å; W210-F214 WeakPolarHBondContact O-CD1 3.29Å; W210-F214 VanDerWaalsContact O-CE1 3.25Å; W210-F214 WeakPolarHBondContact O-CE1 3.4Å; I211-F214 PolarHBondContact O-N 3.5Å; F214-Y255 HydrophobicContact CE2-CD2 4.2Å; F214-Y255 HydrophobicContact CE2-CE2 4.32Å; F214-W257 HydrophobicContact CB-CB 4.15Å; F214-W257 HydrophobicContact CB-CD2 4.02Å; F214-W257 HydrophobicContact CB-CE3 4.13Å; F214-W257 HydrophobicContact CB-CG 4.05Å; F214-W257 HydrophobicContact CD2-CB 4.07Å; F214-W257 AromaticContact CD2-CD1 3.77Å; F214-W257 HydrophobicContact CD2-CD2 4.44Å; F214-W257 AromaticContact CD2-CG 3.83Å; F214-W257 HydrophobicContact CD2-CG 3.83Å; F214-W257 HydrophobicContact CG-CB 4.49Å; F214-W257 HydrophobicContact CG-CG 4.43Å; F214-F258 HydrophobicContact CB-CE1 4.24Å; F214-F258 HydrophobicContact CB-CZ 4.28Å; F214-F258 HydrophobicContact CD1-CE1 4.03Å; F214-F258 HydrophobicContact CD1-CE2 4.34Å; F214-F258 AromaticContact CD1-CZ 3.4Å; F214-F258 HydrophobicContact CD1-CZ 3.4Å; F214-F258 HydrophobicContact CD2-CE1 4.48Å; F214-F258 HydrophobicContact CD2-CE2 4.14Å; F214-F258 AromaticContact CD2-CZ 3.79Å; F214-F258 HydrophobicContact CD2-CZ 3.79Å; F214-F258 HydrophobicContact CE1-CE1 4.49Å; F214-F258 HydrophobicContact CE1-CE2 4.08Å; F214-F258 AromaticContact CE1-CZ 3.46Å; F214-F258 HydrophobicContact CE1-CZ 3.46Å; F214-F258 VanDerWaalsContact CE1-CZ 3.46Å; F214-F258 AromaticContact CE2-CE2 3.88Å; F214-F258 HydrophobicContact CE2-CE2 3.88Å; F214-F258 AromaticContact CE2-CZ 3.86Å; F214-F258 HydrophobicContact CE2-CZ 3.86Å; F214-F258 HydrophobicContact CG-CE1 4.01Å; F214-F258 HydrophobicContact CG-CE2 4.36Å; F214-F258 AromaticContact CG-CZ 3.56Å; F214-F258 HydrophobicContact CG-CZ 3.56Å; F214-F258 AromaticContact CZ-CE2 3.84Å; F214-F258 HydrophobicContact CZ-CE2 3.84Å; F214-F258 AromaticContact CZ-CZ 3.69Å; F214-F258 HydrophobicContact CZ-CZ 3.69Å
215E91.6Very high95Very high128 Ų12849.9 Ų49.960%0.59824%0.239SC*.THydrogen-bonded Turntrans-67.8139.5176.8-66.8-175.9179.500112.1K35 V217 W257K35-E215 PolarHBondContact NZ-O 3.13Å; E215-V217 VanDerWaalsContact C-N 3.25Å; E215-V217 PolarHBondContact O-N 3.1Å; E215-W257 HydrophobicContact CG-CZ3 4.08Å
216N89.5Confident95.3Very high141 Ų14145.6 Ų45.675%0.75421%0.209SC*.THydrogen-bonded Turntrans53.237.4171.4-54.1-46.8000114.1K35 T218K35-N216 WeakPolarHBondContact CB-O 3.5Å; N216-T218 PolarHBondContact O-N 3.28Å
217V94.7Very high95.4Very high12 Ų1244.4 Ų44.47%0.07320%0.203CC..  trans-77.6117.1175.4174.40000109.5K35 L37 C213 E215 S219 I220 F258 S261K35-V217 HydrophobicContact CD-CG2 4.22Å; L37-V217 HydrophobicContact CB-CG1 3.74Å; L37-V217 HydrophobicContact CB-CG2 4.02Å; L37-V217 HydrophobicContact CD2-CG2 3.93Å; C213-V217 WeakPolarHBondContact O-CG2 3.31Å; E215-V217 VanDerWaalsContact C-N 3.25Å; E215-V217 PolarHBondContact O-N 3.1Å; V217-S219 WeakPolarHBondContact CG1-O 3.27Å; V217-I220 HydrophobicContact CG1-CG1 4.09Å; V217-F258 HydrophobicContact CB-CD1 4.37Å; V217-F258 HydrophobicContact CB-CE1 4.17Å; V217-F258 HydrophobicContact CG1-CE1 4.36Å; V217-F258 HydrophobicContact CG2-CE1 4.06Å; V217-S261 PolarHBondContact O-OG 3.49Å
218T93.1Very high95.5Very high24 Ų2442.1 Ų42.115%0.14720%0.195CC..SBendtrans-70.3-48.1175.3-51.80000110.9L34 K35 N216 S261 S262 I342 N346L34-T218 HydrophobicContact CB-CG2 4.34Å; L34-T218 HydrophobicContact CD2-CG2 3.98Å; K35-T218 PolarHBondContact N-OG1 3.34Å; K35-T218 WeakPolarHBondContact O-CB 3.25Å; K35-T218 PolarHBondContact O-N 2.99Å; N216-T218 PolarHBondContact O-N 3.28Å; T218-S261 WeakPolarHBondContact O-CA 3.17Å; T218-S262 PolarHBondContact O-N 2.84Å; T218-I342 HydrophobicContact CG2-CG2 4.04Å; T218-N346 WeakPolarHBondContact CG2-ND2 3.45Å
219S95.1Very high95.8Very high0 Ų031.5 Ų31.50%016%0.155CC..EExtended strand (participates in β ladder)trans-146.2141-176-53.80000111.5K35 L36 L37 V217 S262K35-S219 PolarHBondContact O-N 3.46Å; L36-S219 WeakPolarHBondContact CA-O 3.3Å; L37-S219 PolarHBondContact N-O 3.03Å; V217-S219 WeakPolarHBondContact CG1-O 3.27Å; S219-S262 CarbonylContact C-O 3.59Å; S219-S262 WeakPolarHBondContact CA-O 3.23Å; S219-S262 WeakPolarHBondContact CB-OG 3.32Å; S219-S262 PolarHBondContact OG-OG 3.15Å
220I96.9Very high95.9Very high0 Ų028 Ų280%014%0.14CC..EExtended strand (participates in β ladder)trans-95.7128.7171.4-60.6169.3000108.2L39 V217 F222 I252 F258 S262 I264L39-I220 HydrophobicContact CD1-CG2 3.99Å; L39-I220 HydrophobicContact CG-CG2 4.47Å; V217-I220 HydrophobicContact CG1-CG1 4.09Å; I220-F222 HydrophobicContact CG2-CB 4.42Å; I220-I252 HydrophobicContact CD1-CG2 3.95Å; I220-I252 HydrophobicContact CG2-CG2 4.08Å; I220-F258 HydrophobicContact CD1-CB 3.54Å; I220-F258 HydrophobicContact CD1-CD1 3.61Å; I220-F258 HydrophobicContact CD1-CD2 3.53Å; I220-F258 HydrophobicContact CD1-CE1 4.1Å; I220-F258 HydrophobicContact CD1-CE2 4.03Å; I220-F258 HydrophobicContact CD1-CG 3.28Å; I220-F258 HydrophobicContact CD1-CZ 4.26Å; I220-F258 HydrophobicContact CG1-CD1 4.14Å; I220-F258 HydrophobicContact CG1-CE1 4.37Å; I220-F258 HydrophobicContact CG1-CG 4.29Å; I220-S262 PolarHBondContact N-O 2.64Å; I220-I264 PolarHBondContact O-N 3.05Å
221M97.7Very high95.9Very high0 Ų028.1 Ų28.10%014%0.141CC..EExtended strand (participates in β ladder)trans-107.595.6169.5-70.3174.5162.500108L36 L37 L38 L39 F49 M197 I264 F266 F335 V338 I342L36-M221 HydrophobicContact CB-SD 4.14Å; L36-M221 HydrophobicContact CD1-CE 3.61Å; L36-M221 HydrophobicContact CD1-SD 4.14Å; L36-M221 HydrophobicContact CG-CE 4.44Å; L37-M221 PolarHBondContact O-N 3.38Å; L38-M221 WeakPolarHBondContact CA-O 3.5Å; L38-M221 HydrophobicContact CD1-SD 4.32Å; L38-M221 HydrophobicContact CG-CB 4.16Å; L38-M221 HydrophobicContact CG-SD 4.44Å; L39-M221 PolarHBondContact N-O 3.45Å; F49-M221 HydrophobicContact CE1-SD 4.21Å; M197-M221 HydrophobicContact CE-SD 4.24Å; M221-I264 WeakPolarHBondContact CA-O 3.37Å; M221-I264 HydrophobicContact CE-CD1 4.21Å; M221-I264 HydrophobicContact CG-CB 4.41Å; M221-I264 HydrophobicContact CG-CD1 4.21Å; M221-F266 HydrophobicContact CB-CD2 4.44Å; M221-F266 HydrophobicContact CB-CE2 4.14Å; M221-F266 HydrophobicContact CE-CE2 4.46Å; M221-F266 HydrophobicContact CE-CZ 4.4Å; M221-F266 HydrophobicContact CG-CE2 4.1Å; M221-F266 HydrophobicContact SD-CE2 4.09Å; M221-F335 HydrophobicContact CE-CD2 4.47Å; M221-F335 HydrophobicContact CE-CE2 4.15Å; M221-V338 HydrophobicContact CE-CG1 3.5Å; M221-V338 VanDerWaalsContact CE-CG1 3.5Å; M221-I342 HydrophobicContact CE-CD1 4.21Å
222F98.6Very high96.1Very high0 Ų026 Ų260%013%0.132CC..EExtended strand (participates in β ladder)trans-89.3120.8178.4-162.3-85.2000110.3L39 I220 V224 L248 F249 I252 I264 L265 F266 F307L39-F222 HydrophobicContact CB-CD2 3.8Å; L39-F222 HydrophobicContact CB-CE2 4.24Å; L39-F222 CarbonylContact O-C 3.44Å; L39-F222 WeakPolarHBondContact O-CA 3.4Å; I220-F222 HydrophobicContact CG2-CB 4.42Å; F222-V224 HydrophobicContact CD1-CG2 3.83Å; F222-V224 HydrophobicContact CE1-CG2 3.88Å; F222-L248 HydrophobicContact CE2-CD2 4.11Å; F222-L248 HydrophobicContact CE2-CG 3.94Å; F222-L248 HydrophobicContact CZ-CB 4.19Å; F222-L248 HydrophobicContact CZ-CD2 3.88Å; F222-L248 HydrophobicContact CZ-CG 3.88Å; F222-F249 HydrophobicContact CB-CD2 3.85Å; F222-F249 HydrophobicContact CB-CE2 3.88Å; F222-F249 HydrophobicContact CD1-CB 4.19Å; F222-F249 AromaticContact CD1-CD2 3.49Å; F222-F249 HydrophobicContact CD1-CD2 3.49Å; F222-F249 VanDerWaalsContact CD1-CD2 3.49Å; F222-F249 HydrophobicContact CD1-CE2 4.23Å; F222-F249 HydrophobicContact CD1-CG 4.2Å; F222-F249 AromaticContact CD2-CD2 3.79Å; F222-F249 HydrophobicContact CD2-CD2 3.79Å; F222-F249 HydrophobicContact CE1-CB 3.7Å; F222-F249 AromaticContact CE1-CD2 3.91Å; F222-F249 HydrophobicContact CE1-CD2 3.91Å; F222-F249 HydrophobicContact CE1-CG 4.21Å; F222-F249 HydrophobicContact CE2-CB 4.2Å; F222-F249 HydrophobicContact CE2-CD2 4.17Å; F222-F249 AromaticContact CG-CD2 3.42Å; F222-F249 HydrophobicContact CG-CD2 3.42Å; F222-F249 VanDerWaalsContact CG-CD2 3.42Å; F222-F249 AromaticContact CG-CE2 3.99Å; F222-F249 HydrophobicContact CG-CE2 3.99Å; F222-F249 HydrophobicContact CG-CG 4.46Å; F222-F249 HydrophobicContact CZ-CB 3.69Å; F222-F249 HydrophobicContact CZ-CD2 4.22Å; F222-F249 HydrophobicContact CZ-CG 4.47Å; F222-I252 HydrophobicContact CD2-CB 4.43Å; F222-I252 HydrophobicContact CD2-CG1 4.36Å; F222-I252 HydrophobicContact CD2-CG2 4.41Å; F222-I252 HydrophobicContact CE2-CB 4.4Å; F222-I252 HydrophobicContact CE2-CG1 4.01Å; F222-I264 PolarHBondContact N-O 3.01Å; F222-L265 HydrophobicContact CB-CD1 4.45Å; F222-L265 HydrophobicContact CD1-CD1 4.15Å; F222-F266 PolarHBondContact O-N 3.11Å; F222-F307 HydrophobicContact CE1-CE1 4.38Å
223V98.7Very high96.1Very high3 Ų319.3 Ų19.32%0.01810%0.102CC..EExtended strand (participates in β ladder)trans-105.6118.5-175.7-168.40000110.2L39 S44 K46 F266 N268L39-V223 PolarHBondContact O-N 3.02Å; S44-V223 WeakPolarHBondContact CB-O 3.44Å; S44-V223 VanDerWaalsContact O-CG1 3.27Å; S44-V223 WeakPolarHBondContact O-CG1 3.32Å; S44-V223 PolarHBondContact OG-O 2.83Å; S44-V223 VanDerWaalsContact OG-O 3.06Å; K46-V223 HydrophobicContact CG-CB 4.06Å; K46-V223 HydrophobicContact CG-CG2 3.81Å; V223-F266 HydrophobicContact CG1-CB 4.36Å; V223-F266 HydrophobicContact CG2-CB 4.37Å; V223-F266 HydrophobicContact CG2-CD2 4.14Å; V223-N268 HydrophobicContact CG1-CB 3.87Å
224V98.8Very high95.9Very high0 Ų023.5 Ų23.50%013%0.127CC..EExtended strand (participates in β ladder)trans-105.8130.1175.5-179.10000108.7F222 L265 F266 N268 F307F222-V224 HydrophobicContact CD1-CG2 3.83Å; F222-V224 HydrophobicContact CE1-CG2 3.88Å; V224-L265 HydrophobicContact CG2-CD1 3.66Å; V224-F266 PolarHBondContact N-O 3.4Å; V224-N268 WeakPolarHBondContact O-CA 3.38Å; V224-N268 WeakPolarHBondContact O-CB 3.23Å; V224-N268 PolarHBondContact O-N 3.43Å; V224-F307 HydrophobicContact CB-CE1 4.48Å; V224-F307 HydrophobicContact CB-CZ 4.26Å; V224-F307 HydrophobicContact CG1-CE1 4.25Å; V224-F307 HydrophobicContact CG1-CE2 3.73Å; V224-F307 HydrophobicContact CG1-CZ 3.56Å; V224-F307 HydrophobicContact CG2-CD1 3.83Å; V224-F307 HydrophobicContact CG2-CE1 3.38Å; V224-F307 HydrophobicContact CG2-CE2 4.21Å; V224-F307 HydrophobicContact CG2-CG 4.43Å; V224-F307 HydrophobicContact CG2-CZ 3.6Å
225A98.5Very high95.6Very high1 Ų127.3 Ų27.31%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-85.7110.7167.800000109.9S227 E228 K269A225-S227 PolarHBondContact O-N 3.24Å; A225-E228 HydrophobicContact CB-CB 4.27Å; A225-E228 HydrophobicContact CB-CG 3.63Å; A225-E228 PolarHBondContact O-N 3.45Å; A225-K269 HydrophobicContact CB-CD 3.76Å; A225-K269 HydrophobicContact CB-CG 4.41Å
226L98.7Very high95.6Very high0 Ų022.7 Ų22.70%013%0.127CC..G310 helixtrans-60.6-32.7177.1-73172.5000112.4E228 Y229 M242 L267 N268 K270 L273 R300 I303 F322L226-E228 PolarHBondContact O-N 3.44Å; L226-Y229 WeakPolarHBondContact O-CD1 3.34Å; L226-M242 VanDerWaalsContact O-CE 3.27Å; L226-M242 WeakPolarHBondContact O-CE 3.39Å; L226-L267 HydrophobicContact CD1-CB 3.99Å; L226-L267 HydrophobicContact CD2-CB 3.96Å; L226-L267 HydrophobicContact CD2-CD2 3.77Å; L226-L267 HydrophobicContact CD2-CG 4.47Å; L226-L267 HydrophobicContact CG-CB 3.97Å; L226-N268 VanDerWaalsContact CB-O 3.29Å; L226-N268 WeakPolarHBondContact CB-O 3.33Å; L226-N268 WeakPolarHBondContact CG-O 3.4Å; L226-N268 PolarHBondContact N-O 3.44Å; L226-K270 HydrophobicContact CD1-CB 3.95Å; L226-L273 HydrophobicContact CB-CB 3.91Å; L226-L273 HydrophobicContact CB-CD2 4.01Å; L226-L273 HydrophobicContact CB-CG 4.42Å; L226-L273 HydrophobicContact CD1-CD2 4.06Å; L226-L273 HydrophobicContact CD2-CD2 4.36Å; L226-L273 HydrophobicContact CG-CD2 4.39Å; L226-R300 HydrophobicContact CD1-CB 4.37Å; L226-I303 HydrophobicContact CD2-CB 4.03Å; L226-I303 HydrophobicContact CD2-CD1 3.85Å; L226-I303 HydrophobicContact CD2-CG2 3.74Å; L226-F322 HydrophobicContact CD1-CD1 4.06Å; L226-F322 HydrophobicContact CD1-CE1 4.49Å
227S97.7Very high95.5Very high0 Ų022.4 Ų22.40%013%0.125CC..G310 helixtrans-74.4-4.4-176.964.40000114.6A225 K269 K276A225-S227 PolarHBondContact O-N 3.24Å; S227-K269 VanDerWaalsContact OG-CD 3.27Å; S227-K269 WeakPolarHBondContact OG-CD 3.33Å; S227-K276 PolarHBondContact O-NZ 3.37Å
228E97.6Very high95.3Very high2 Ų227.9 Ų27.91%0.00915%0.154CC..G310 helixtrans-91.65.1-174.9-72.1-173.9162.800113.6A225 L226 D230 Q231 R241 K269A225-E228 HydrophobicContact CB-CB 4.27Å; A225-E228 HydrophobicContact CB-CG 3.63Å; A225-E228 PolarHBondContact O-N 3.45Å; L226-E228 PolarHBondContact O-N 3.44Å; E228-D230 PolarHBondContact O-N 2.96Å; E228-Q231 PolarHBondContact O-N 3.46Å; E228-R241 HydrophobicContact CB-CB 3.77Å; E228-R241 HydrophobicContact CG-CB 4.39Å; E228-R241 IonicContact OE1-CZ 2.68Å; E228-R241 IonicContact OE1-NH1 2.99Å; E228-R241 PolarHBondContact OE1-NH1 2.93Å; E228-K269 IonicContact OE1-NZ 3.37Å
229Y98Very high95.4Very high0 Ų029.8 Ų29.80%016%0.161CC..THydrogen-bonded Turntrans-60.9-26.5-176.370.4-87.1000114.3L226 N240 L273 K276 I277 S280 L282 Y285L226-Y229 WeakPolarHBondContact O-CD1 3.34Å; Y229-N240 PolarHBondContact O-ND2 2.89Å; Y229-L273 HydrophobicContact CD1-CD1 3.8Å; Y229-L273 HydrophobicContact CE1-CD1 3.59Å; Y229-K276 HydrophobicContact CE1-CB 4.1Å; Y229-K276 VanDerWaalsContact OH-C 3.24Å; Y229-K276 WeakPolarHBondContact OH-CB 3.42Å; Y229-K276 PolarHBondContact OH-O 3Å; Y229-I277 PolarHBondContact OH-N 3.3Å; Y229-S280 WeakPolarHBondContact OH-CB 3.37Å; Y229-S280 PolarHBondContact OH-O 3.44Å; Y229-L282 HydrophobicContact CD2-CD1 3.56Å; Y229-L282 HydrophobicContact CE2-CD1 4.32Å; Y229-L282 HydrophobicContact CG-CD1 3.73Å; Y229-Y285 HydrophobicContact CD2-CD2 4.04Å; Y229-Y285 HydrophobicContact CE2-CD2 4.23Å; Y229-Y285 HydrophobicContact CE2-CE2 4.48Å; Y229-Y285 WeakPolarHBondContact O-CB 3.35Å
230D97.4Very high95.6Very high7 Ų731.3 Ų31.34%0.03717%0.169CC..THydrogen-bonded Turntrans-11320.7-176.664.6-8.2000112.6E228 K276 S280 Y285E228-D230 PolarHBondContact O-N 2.96Å; D230-K276 WeakPolarHBondContact OD1-CE 3.49Å; D230-K276 IonicContact OD1-NZ 3.59Å; D230-K276 PolarHBondContact OD1-NZ 3.07Å; D230-K276 WeakPolarHBondContact OD2-CE 3.38Å; D230-K276 IonicContact OD2-NZ 2.93Å; D230-K276 PolarHBondContact OD2-NZ 3.01Å; D230-S280 WeakPolarHBondContact CB-OG 3.47Å; D230-S280 WeakPolarHBondContact OD2-CB 3.38Å; D230-S280 PolarHBondContact OD2-OG 3.5Å; D230-Y285 HydrophobicContact CB-CD1 4.19Å; D230-Y285 HydrophobicContact CB-CD2 3.8Å; D230-Y285 HydrophobicContact CB-CE1 3.76Å; D230-Y285 HydrophobicContact CB-CE2 3.34Å; D230-Y285 HydrophobicContact CB-CG 4.2Å
231Q97.1Very high95.6Very high11 Ų1132 Ų325%0.05117%0.172CC..  trans-122.2153.1-177.3-73.4177.6-40.900111.9E228 N240 R241E228-Q231 PolarHBondContact O-N 3.46Å; Q231-N240 WeakPolarHBondContact O-CA 3.32Å; Q231-R241 HydrophobicContact CB-CG 4.12Å; Q231-R241 PolarHBondContact O-N 3.4Å
232V96.4Very high95.6Very high52 Ų5232.2 Ų32.232%0.31517%0.173SC..BIsolated β-bridgetrans-101.3157.2174-590000111.8Q146 D237 E239 R241Q146-V232 PolarHBondContact NE2-O 2.91Å; V232-D237 WeakPolarHBondContact CB-O 3.43Å; V232-D237 WeakPolarHBondContact CG1-O 3.39Å; V232-E239 CarbonylContact C-O 3.47Å; V232-E239 WeakPolarHBondContact CA-O 3.39Å; V232-R241 VanDerWaalsContact C-CG 3.44Å; V232-R241 VanDerWaalsContact O-CG 3.32Å; V232-R241 WeakPolarHBondContact O-CG 3.46Å; V232-R241 PolarHBondContact O-NE 3.07Å; V232-R241 VanDerWaalsContact O-NE 3.08Å
233L93.7Very high95.6Very high11 Ų1135.8 Ų35.86%0.05819%0.189CC..  trans-64.1147.9177.8-63.6171.6000111.1C236 E239 R241 E244L233-C236 HydrophobicContact CB-CB 4.27Å; L233-C236 WeakPolarHBondContact CB-O 3.19Å; L233-C236 HydrophobicContact CD1-CB 4.2Å; L233-C236 PolarHBondContact N-O 2.68Å; L233-C236 CarbonylContact O-C 3.52Å; L233-E239 HydrophobicContact CD1-CB 3.83Å; L233-E239 HydrophobicContact CG-CB 4.32Å; L233-E239 PolarHBondContact N-O 2.98Å; L233-R241 HydrophobicContact CD2-CB 4.37Å; L233-R241 HydrophobicContact CD2-CG 3.98Å; L233-R241 HydrophobicContact CG-CG 4.46Å; L233-E244 HydrophobicContact CD1-CB 3.93Å; L233-E244 HydrophobicContact CD1-CG 3.9Å; L233-E244 HydrophobicContact CD2-CB 3.96Å; L233-E244 HydrophobicContact CD2-CG 3.85Å; L233-E244 HydrophobicContact CG-CB 4.31Å; L233-E244 HydrophobicContact CG-CG 4.46Å
234V89.7Confident95.5Very high92 Ų9236.4 Ų36.456%0.55819%0.192SC*.SBendtrans-65.4-38.6169.2-178.90000109.5Q146 C236Q146-V234 HydrophobicContact CG-CG2 3.95Å; V234-C236 VanDerWaalsContact C-N 3.34Å
235E89.1Confident95.5Very high90 Ų9036.5 Ų36.542%0.42119%0.193SC..SBendtrans-78.7-15.2-177.2-56.198.2134.400113.7R204R204-E235 PolarHBondContact N-OE1 3.02Å
236C90.4Very high95.5Very high31 Ų3137.9 Ų37.921%0.20920%0.198CC..  trans-158.3101.9-176-151.20000110.5L233 V234 N238 E239L233-C236 HydrophobicContact CB-CB 4.27Å; L233-C236 WeakPolarHBondContact CB-O 3.19Å; L233-C236 HydrophobicContact CD1-CB 4.2Å; L233-C236 PolarHBondContact N-O 2.68Å; L233-C236 CarbonylContact O-C 3.52Å; V234-C236 VanDerWaalsContact C-N 3.34Å; C236-N238 PolarHBondContact O-N 2.85Å; C236-N238 PolarHBondContact SG-OD1 3.37Å; C236-E239 HydrophobicContact CB-CB 4.21Å; C236-E239 HydrophobicContact CB-CG 4.21Å; C236-E239 PolarHBondContact O-N 3.14Å; C236-E239 PolarHBondContact SG-OE1 2.94Å
237D88Confident95.5Very high135 Ų13540.3 Ų40.372%0.72222%0.219SC*.THydrogen-bonded Turntrans-73.4-7.4-170.963.6-5.6000114.9V232V232-D237 WeakPolarHBondContact CB-O 3.43Å; V232-D237 WeakPolarHBondContact CG1-O 3.39Å
238N90.9Very high95.4Very high126 Ų12641 Ų4167%0.67422%0.222SC*.THydrogen-bonded Turntrans-102.51.1175.967.8-4.9000113.6C236C236-N238 PolarHBondContact O-N 2.85Å; C236-N238 PolarHBondContact SG-OD1 3.37Å
239E95.3Very high95.5Very high65 Ų6540.9 Ų40.930%0.30422%0.222SC..SBendtrans-111.1128.6-179.4-71.3-173-122.600111.3R204 V232 L233 C236R204-E239 IonicContact CZ-OE1 2.76Å; R204-E239 IonicContact CZ-OE2 2.91Å; R204-E239 IonicContact NH1-OE1 3.13Å; R204-E239 PolarHBondContact NH1-OE1 2.9Å; R204-E239 IonicContact NH1-OE2 2.71Å; R204-E239 VanDerWaalsContact NH2-CD 3.34Å; R204-E239 IonicContact NH2-OE1 3.52Å; R204-E239 PolarHBondContact NH2-OE1 3.22Å; R204-E239 IonicContact NH2-OE2 3.75Å; R204-E239 PolarHBondContact NH2-OE2 3.38Å; V232-E239 CarbonylContact C-O 3.47Å; V232-E239 WeakPolarHBondContact CA-O 3.39Å; L233-E239 HydrophobicContact CD1-CB 3.83Å; L233-E239 HydrophobicContact CG-CB 4.32Å; L233-E239 PolarHBondContact N-O 2.98Å; C236-E239 HydrophobicContact CB-CB 4.21Å; C236-E239 HydrophobicContact CB-CG 4.21Å; C236-E239 PolarHBondContact O-N 3.14Å; C236-E239 PolarHBondContact SG-OE1 2.94Å
240N97.5Very high95.4Very high31 Ų3148.3 Ų48.317%0.16625%0.25CC..BIsolated β-bridgetrans-68.3132175.3-178.2-76000111.1Y229 Q231 M242 E243 E244Y229-N240 PolarHBondContact O-ND2 2.89Å; Q231-N240 WeakPolarHBondContact O-CA 3.32Å; N240-M242 VanDerWaalsContact C-N 3.33Å; N240-M242 PolarHBondContact O-N 3.47Å; N240-M242 WeakPolarHBondContact OD1-CA 3.46Å; N240-M242 WeakPolarHBondContact OD1-CB 3.21Å; N240-M242 PolarHBondContact OD1-N 3.39Å; N240-E243 HydrophobicContact CB-CB 4.08Å; N240-E243 HydrophobicContact CB-CG 4.07Å; N240-E243 PolarHBondContact O-N 2.94Å; N240-E243 PolarHBondContact OD1-N 3.33Å; N240-E243 VanDerWaalsContact OD1-N 3.11Å; N240-E244 PolarHBondContact O-N 2.89Å
241R97.5Very high95.4Very high16 Ų1651 Ų516%0.0627%0.267CS..Hα-helixtrans-61-38.9-177.7-72.3-162.2172.9-156.90.5113.1E43 E228 Q231 V232 L233 S245E43-R241 IonicContact OE2-CZ 3.47Å; E43-R241 IonicContact OE2-NH1 3.92Å; E43-R241 PolarHBondContact OE2-NH1 3.01Å; E43-R241 IonicContact OE2-NH2 2.74Å; E43-R241 PolarHBondContact OE2-NH2 3.31Å; E43-R241 VanDerWaalsContact OE2-NH2 3.09Å; E228-R241 HydrophobicContact CB-CB 3.77Å; E228-R241 HydrophobicContact CG-CB 4.39Å; E228-R241 IonicContact OE1-CZ 2.68Å; E228-R241 IonicContact OE1-NH1 2.99Å; E228-R241 PolarHBondContact OE1-NH1 2.93Å; Q231-R241 HydrophobicContact CB-CG 4.12Å; Q231-R241 PolarHBondContact O-N 3.4Å; V232-R241 VanDerWaalsContact C-CG 3.44Å; V232-R241 VanDerWaalsContact O-CG 3.32Å; V232-R241 WeakPolarHBondContact O-CG 3.46Å; V232-R241 PolarHBondContact O-NE 3.07Å; V232-R241 VanDerWaalsContact O-NE 3.08Å; L233-R241 HydrophobicContact CD2-CB 4.37Å; L233-R241 HydrophobicContact CD2-CG 3.98Å; L233-R241 HydrophobicContact CG-CG 4.46Å; R241-S245 PolarHBondContact O-N 2.85Å
242M98.2Very high95.3Very high3 Ų350.6 Ų50.62%0.01527%0.265CS..Hα-helixtrans-74.4-34.2179.5-178.6171.9-66.400111.9L226 N240 S245 K246 F286 I303 F307L226-M242 VanDerWaalsContact O-CE 3.27Å; L226-M242 WeakPolarHBondContact O-CE 3.39Å; N240-M242 VanDerWaalsContact C-N 3.33Å; N240-M242 PolarHBondContact O-N 3.47Å; N240-M242 WeakPolarHBondContact OD1-CA 3.46Å; N240-M242 WeakPolarHBondContact OD1-CB 3.21Å; N240-M242 PolarHBondContact OD1-N 3.39Å; M242-S245 WeakPolarHBondContact O-CB 3.26Å; M242-S245 PolarHBondContact O-N 3.16Å; M242-K246 WeakPolarHBondContact O-CG 3.13Å; M242-K246 PolarHBondContact O-N 2.88Å; M242-F286 HydrophobicContact CB-CE2 4.29Å; M242-F286 HydrophobicContact CB-CZ 3.81Å; M242-F286 HydrophobicContact CG-CE2 4.35Å; M242-F286 HydrophobicContact CG-CZ 3.72Å; M242-F286 HydrophobicContact SD-CE2 3.94Å; M242-F286 HydrophobicContact SD-CZ 3.79Å; M242-I303 HydrophobicContact CE-CD1 3.88Å; M242-I303 HydrophobicContact CE-CG1 4.39Å; M242-I303 HydrophobicContact CE-CG2 4.17Å; M242-I303 HydrophobicContact SD-CD1 4.05Å; M242-I303 HydrophobicContact SD-CG1 3.96Å; M242-I303 HydrophobicContact SD-CG2 3.89Å; M242-F307 HydrophobicContact CG-CE2 4.34Å
243E98Very high95.2Very high75 Ų7548.6 Ų48.635%0.3525%0.252SS..Hα-helixtrans-63.3-42170.5-74.5-63.5169.200112.4N240 S245 K246 A247 F286N240-E243 HydrophobicContact CB-CB 4.08Å; N240-E243 HydrophobicContact CB-CG 4.07Å; N240-E243 PolarHBondContact O-N 2.94Å; N240-E243 PolarHBondContact OD1-N 3.33Å; N240-E243 VanDerWaalsContact OD1-N 3.11Å; E243-S245 VanDerWaalsContact C-N 3.29Å; E243-S245 PolarHBondContact O-N 2.7Å; E243-K246 WeakPolarHBondContact O-CB 3.23Å; E243-K246 PolarHBondContact O-N 3.09Å; E243-K246 IonicContact OE1-NZ 3.13Å; E243-K246 PolarHBondContact OE1-NZ 3.29Å; E243-K246 WeakPolarHBondContact OE2-CD 3.26Å; E243-K246 WeakPolarHBondContact OE2-CE 3.5Å; E243-K246 IonicContact OE2-NZ 3.97Å; E243-K246 PolarHBondContact OE2-NZ 3.46Å; E243-A247 WeakPolarHBondContact O-CB 3.29Å; E243-A247 PolarHBondContact O-N 3.37Å; E243-F286 HydrophobicContact CG-CE1 4.19Å; E243-F286 HydrophobicContact CG-CZ 4.29Å; E243-F286 WeakPolarHBondContact OE1-CE1 3.43Å
244E97.7Very high95.3Very high17 Ų1751.5 Ų51.58%0.07927%0.27CS..Hα-helixtrans-59.3-41.8171.117171.3168.500111.4T41 R204 R207 L233 N240 A247 L248T41-E244 HydrophobicContact CG2-CG 4.03Å; R204-E244 IonicContact CZ-OE1 3.96Å; R204-E244 IonicContact CZ-OE2 2.55Å; R204-E244 IonicContact NE-OE1 2.89Å; R204-E244 PolarHBondContact NE-OE1 3.31Å; R204-E244 IonicContact NE-OE2 2.86Å; R204-E244 IonicContact NH2-OE1 2.7Å; R204-E244 PolarHBondContact NH2-OE1 3.26Å; R204-E244 IonicContact NH2-OE2 3.25Å; R204-E244 PolarHBondContact NH2-OE2 3.26Å; R207-E244 IonicContact CZ-OE1 3.1Å; R207-E244 IonicContact NH1-OE1 3.97Å; R207-E244 PolarHBondContact NH1-OE1 3.07Å; R207-E244 IonicContact NH2-OE1 2.74Å; R207-E244 PolarHBondContact NH2-OE1 3.02Å; L233-E244 HydrophobicContact CD1-CB 3.93Å; L233-E244 HydrophobicContact CD1-CG 3.9Å; L233-E244 HydrophobicContact CD2-CB 3.96Å; L233-E244 HydrophobicContact CD2-CG 3.85Å; L233-E244 HydrophobicContact CG-CB 4.31Å; L233-E244 HydrophobicContact CG-CG 4.46Å; N240-E244 PolarHBondContact O-N 2.89Å; E244-A247 PolarHBondContact O-N 3.28Å; E244-L248 WeakPolarHBondContact O-CB 3.3Å; E244-L248 PolarHBondContact O-N 2.75Å
245S98.4Very high95.5Very high1 Ų151.8 Ų51.81%0.00726%0.262CS..Hα-helixtrans-63.3-39.9176-174.10000112.2R241 M242 E243 F249R241-S245 PolarHBondContact O-N 2.85Å; M242-S245 WeakPolarHBondContact O-CB 3.26Å; M242-S245 PolarHBondContact O-N 3.16Å; E243-S245 VanDerWaalsContact C-N 3.29Å; E243-S245 PolarHBondContact O-N 2.7Å; S245-F249 WeakPolarHBondContact O-CB 3.45Å; S245-F249 PolarHBondContact O-N 3.37Å
246K98.3Very high95.7Very high30 Ų3052.4 Ų52.413%0.1327%0.274CS..Hα-helixtrans-62.8-50.5174.4-75.616756.8-172.10111.2M242 E243 L248 F249 R250 F286 T306 F307 L310M242-K246 WeakPolarHBondContact O-CG 3.13Å; M242-K246 PolarHBondContact O-N 2.88Å; E243-K246 WeakPolarHBondContact O-CB 3.23Å; E243-K246 PolarHBondContact O-N 3.09Å; E243-K246 IonicContact OE1-NZ 3.13Å; E243-K246 PolarHBondContact OE1-NZ 3.29Å; E243-K246 WeakPolarHBondContact OE2-CD 3.26Å; E243-K246 WeakPolarHBondContact OE2-CE 3.5Å; E243-K246 IonicContact OE2-NZ 3.97Å; E243-K246 PolarHBondContact OE2-NZ 3.46Å; K246-L248 VanDerWaalsContact C-N 3.29Å; K246-L248 PolarHBondContact O-N 2.96Å; K246-F249 PolarHBondContact O-N 2.86Å; K246-R250 PolarHBondContact O-N 3.11Å; K246-F286 HydrophobicContact CD-CE1 4.09Å; K246-T306 HydrophobicContact CD-CG2 3.69Å; K246-T306 HydrophobicContact CG-CG2 4.36Å; K246-F307 HydrophobicContact CB-CZ 4.36Å; K246-F307 HydrophobicContact CG-CD2 4.25Å; K246-F307 HydrophobicContact CG-CE1 4.13Å; K246-F307 HydrophobicContact CG-CE2 3.66Å; K246-F307 HydrophobicContact CG-CZ 3.58Å; K246-L310 HydrophobicContact CB-CD1 3.93Å; K246-L310 HydrophobicContact CG-CD1 4.24Å; K246-L310 WeakPolarHBondContact O-CD1 3.14Å
247A97.6Very high95.9Very high52 Ų5257.2 Ų57.243%0.4329%0.288SS..Hα-helixtrans-59.4-42.5179.100000111.7E243 E244 T251E243-A247 WeakPolarHBondContact O-CB 3.29Å; E243-A247 PolarHBondContact O-N 3.37Å; E244-A247 PolarHBondContact O-N 3.28Å; A247-T251 PolarHBondContact O-N 3.18Å; A247-T251 VanDerWaalsContact O-N 3.1Å; A247-T251 PolarHBondContact O-OG1 2.79Å
248L97.6Very high96.1Very high13 Ų1350.8 Ų50.87%0.06825%0.253CS..Hα-helixtrans-63.5-47.1175-178.663.9000111.7T41 W210 F222 E244 K246 R250 T251 I252T41-L248 HydrophobicContact CG2-CD2 4.15Å; W210-L248 HydrophobicContact CH2-CD1 3.99Å; W210-L248 HydrophobicContact CH2-CD2 3.79Å; W210-L248 HydrophobicContact CH2-CG 4.36Å; W210-L248 HydrophobicContact CZ3-CD1 3.72Å; W210-L248 HydrophobicContact CZ3-CD2 4.29Å; W210-L248 HydrophobicContact CZ3-CG 4.38Å; F222-L248 HydrophobicContact CE2-CD2 4.11Å; F222-L248 HydrophobicContact CE2-CG 3.94Å; F222-L248 HydrophobicContact CZ-CB 4.19Å; F222-L248 HydrophobicContact CZ-CD2 3.88Å; F222-L248 HydrophobicContact CZ-CG 3.88Å; E244-L248 WeakPolarHBondContact O-CB 3.3Å; E244-L248 PolarHBondContact O-N 2.75Å; K246-L248 VanDerWaalsContact C-N 3.29Å; K246-L248 PolarHBondContact O-N 2.96Å; L248-R250 PolarHBondContact O-N 3.08Å; L248-T251 WeakPolarHBondContact O-CB 3.36Å; L248-T251 PolarHBondContact O-N 2.87Å; L248-T251 VanDerWaalsContact O-N 3.15Å; L248-I252 HydrophobicContact CD1-CG1 4.45Å; L248-I252 WeakPolarHBondContact O-CG1 3.49Å; L248-I252 PolarHBondContact O-N 2.89Å
249F98.1Very high96.1Very high0 Ų051.6 Ų51.60%025%0.253CS..Hα-helixtrans-58.7-48.3179.1-178.2-115.6000111.7F222 S245 K246 T251 I252 I253 V263 L265 F307 L310 I318F222-F249 HydrophobicContact CB-CD2 3.85Å; F222-F249 HydrophobicContact CB-CE2 3.88Å; F222-F249 HydrophobicContact CD1-CB 4.19Å; F222-F249 AromaticContact CD1-CD2 3.49Å; F222-F249 HydrophobicContact CD1-CD2 3.49Å; F222-F249 VanDerWaalsContact CD1-CD2 3.49Å; F222-F249 HydrophobicContact CD1-CE2 4.23Å; F222-F249 HydrophobicContact CD1-CG 4.2Å; F222-F249 AromaticContact CD2-CD2 3.79Å; F222-F249 HydrophobicContact CD2-CD2 3.79Å; F222-F249 HydrophobicContact CE1-CB 3.7Å; F222-F249 AromaticContact CE1-CD2 3.91Å; F222-F249 HydrophobicContact CE1-CD2 3.91Å; F222-F249 HydrophobicContact CE1-CG 4.21Å; F222-F249 HydrophobicContact CE2-CB 4.2Å; F222-F249 HydrophobicContact CE2-CD2 4.17Å; F222-F249 AromaticContact CG-CD2 3.42Å; F222-F249 HydrophobicContact CG-CD2 3.42Å; F222-F249 VanDerWaalsContact CG-CD2 3.42Å; F222-F249 AromaticContact CG-CE2 3.99Å; F222-F249 HydrophobicContact CG-CE2 3.99Å; F222-F249 HydrophobicContact CG-CG 4.46Å; F222-F249 HydrophobicContact CZ-CB 3.69Å; F222-F249 HydrophobicContact CZ-CD2 4.22Å; F222-F249 HydrophobicContact CZ-CG 4.47Å; S245-F249 WeakPolarHBondContact O-CB 3.45Å; S245-F249 PolarHBondContact O-N 3.37Å; K246-F249 PolarHBondContact O-N 2.86Å; F249-T251 VanDerWaalsContact C-N 3.26Å; F249-T251 PolarHBondContact O-N 3.27Å; F249-I252 PolarHBondContact O-N 2.72Å; F249-I253 HydrophobicContact CD1-CD1 4.03Å; F249-I253 HydrophobicContact CD1-CG2 4.4Å; F249-I253 HydrophobicContact CD2-CG2 3.9Å; F249-I253 HydrophobicContact CE1-CD1 3.76Å; F249-I253 HydrophobicContact CE1-CG2 3.99Å; F249-I253 HydrophobicContact CE2-CG2 3.45Å; F249-I253 VanDerWaalsContact CE2-CG2 3.45Å; F249-I253 HydrophobicContact CG-CG2 4.38Å; F249-I253 HydrophobicContact CZ-CD1 4.29Å; F249-I253 HydrophobicContact CZ-CG2 3.51Å; F249-I253 WeakPolarHBondContact O-CG1 3.29Å; F249-I253 PolarHBondContact O-N 3.44Å; F249-V263 HydrophobicContact CE2-CG1 4.08Å; F249-V263 HydrophobicContact CZ-CG1 4.24Å; F249-L265 HydrophobicContact CD2-CD1 4.39Å; F249-L265 HydrophobicContact CE2-CD1 4.01Å; F249-L265 HydrophobicContact CZ-CD1 4.23Å; F249-F307 HydrophobicContact CB-CD1 3.85Å; F249-F307 HydrophobicContact CB-CE1 3.81Å; F249-F307 HydrophobicContact CD1-CB 4.38Å; F249-F307 AromaticContact CD1-CD1 3.62Å; F249-F307 HydrophobicContact CD1-CD1 3.62Å; F249-F307 HydrophobicContact CD1-CE1 4.44Å; F249-F307 HydrophobicContact CD1-CG 4.46Å; F249-F307 HydrophobicContact CE1-CB 4.34Å; F249-F307 HydrophobicContact CE1-CD1 4.27Å; F249-F307 VanDerWaalsContact CE1-O 3.31Å; F249-F307 WeakPolarHBondContact CE1-O 3.36Å; F249-F307 AromaticContact CG-CD1 3.75Å; F249-F307 HydrophobicContact CG-CD1 3.75Å; F249-F307 HydrophobicContact CG-CE1 4.2Å; F249-L310 HydrophobicContact CD1-CB 4.4Å; F249-L310 HydrophobicContact CD1-CD1 4.07Å; F249-I318 HydrophobicContact CE1-CD1 4.04Å; F249-I318 HydrophobicContact CZ-CD1 3.85Å; F249-I318 HydrophobicContact CZ-CG2 4.4Å
250R97.3Very high95.8Very high156 Ų15654.2 Ų54.259%0.58927%0.269SS*.Hα-helixtrans-54.3-44175.1-174.6-179.2-178.41732.2111.6K246 L248 T254 L310K246-R250 PolarHBondContact O-N 3.11Å; L248-R250 PolarHBondContact O-N 3.08Å; R250-T254 WeakPolarHBondContact O-CB 3.36Å; R250-T254 VanDerWaalsContact O-CG2 3.31Å; R250-T254 WeakPolarHBondContact O-CG2 3.23Å; R250-T254 PolarHBondContact O-N 3.21Å; R250-T254 PolarHBondContact O-OG1 2.98Å; R250-L310 HydrophobicContact CB-CB 4.44Å; R250-L310 HydrophobicContact CB-CD1 4.46Å
251T96Very high95.5Very high64 Ų6453 Ų5339%0.39326%0.264SS..Hα-helixtrans-62-44.5177-57.30000111.6A247 L248 F249 T254 Y255A247-T251 PolarHBondContact O-N 3.18Å; A247-T251 VanDerWaalsContact O-N 3.1Å; A247-T251 PolarHBondContact O-OG1 2.79Å; L248-T251 WeakPolarHBondContact O-CB 3.36Å; L248-T251 PolarHBondContact O-N 2.87Å; L248-T251 VanDerWaalsContact O-N 3.15Å; F249-T251 VanDerWaalsContact C-N 3.26Å; F249-T251 PolarHBondContact O-N 3.27Å; T251-T254 PolarHBondContact O-OG1 2.88Å; T251-Y255 HydrophobicContact CG2-CD2 4.21Å; T251-Y255 HydrophobicContact CG2-CE2 3.62Å; T251-Y255 WeakPolarHBondContact O-CD2 3.48Å; T251-Y255 PolarHBondContact O-N 3.41Å
252I95.8Very high95.3Very high2 Ų252.6 Ų52.61%0.0126%0.263CS..Hα-helixtrans-66.5-49.5-178.5-67.1-50.9000112.1L39 W210 I220 F222 L248 F249 T254 Y255 F258L39-I252 HydrophobicContact CD1-CB 4.49Å; L39-I252 HydrophobicContact CD1-CD1 3.86Å; L39-I252 HydrophobicContact CD1-CG1 4.02Å; L39-I252 HydrophobicContact CD1-CG2 3.62Å; W210-I252 HydrophobicContact CE3-CD1 4.21Å; W210-I252 HydrophobicContact CZ3-CD1 4.04Å; W210-I252 HydrophobicContact CZ3-CG1 4.49Å; I220-I252 HydrophobicContact CD1-CG2 3.95Å; I220-I252 HydrophobicContact CG2-CG2 4.08Å; F222-I252 HydrophobicContact CD2-CB 4.43Å; F222-I252 HydrophobicContact CD2-CG1 4.36Å; F222-I252 HydrophobicContact CD2-CG2 4.41Å; F222-I252 HydrophobicContact CE2-CB 4.4Å; F222-I252 HydrophobicContact CE2-CG1 4.01Å; L248-I252 HydrophobicContact CD1-CG1 4.45Å; L248-I252 WeakPolarHBondContact O-CG1 3.49Å; L248-I252 PolarHBondContact O-N 2.89Å; F249-I252 PolarHBondContact O-N 2.72Å; I252-T254 PolarHBondContact O-N 3.25Å; I252-Y255 HydrophobicContact CD1-CD2 4.06Å; I252-Y255 HydrophobicContact CD1-CE2 4.27Å; I252-Y255 PolarHBondContact O-N 2.73Å; I252-Y255 VanDerWaalsContact O-N 3.16Å; I252-F258 HydrophobicContact CD1-CE2 4.39Å; I252-F258 HydrophobicContact CG2-CD2 4.16Å; I252-F258 HydrophobicContact CG2-CE2 4.09Å; I252-F258 WeakPolarHBondContact O-CD2 3.2Å
253I94.9Very high95.2Very high10 Ų1052.5 Ų52.55%0.05126%0.263CS..Hα-helixtrans-67.9-19.9-175.766.1-175.7000113.2F249 V263 L310 N311F249-I253 HydrophobicContact CD1-CD1 4.03Å; F249-I253 HydrophobicContact CD1-CG2 4.4Å; F249-I253 HydrophobicContact CD2-CG2 3.9Å; F249-I253 HydrophobicContact CE1-CD1 3.76Å; F249-I253 HydrophobicContact CE1-CG2 3.99Å; F249-I253 HydrophobicContact CE2-CG2 3.45Å; F249-I253 VanDerWaalsContact CE2-CG2 3.45Å; F249-I253 HydrophobicContact CG-CG2 4.38Å; F249-I253 HydrophobicContact CZ-CD1 4.29Å; F249-I253 HydrophobicContact CZ-CG2 3.51Å; F249-I253 WeakPolarHBondContact O-CG1 3.29Å; F249-I253 PolarHBondContact O-N 3.44Å; I253-V263 HydrophobicContact CG2-CG1 4.1Å; I253-V263 HydrophobicContact CG2-CG2 4.46Å; I253-L310 HydrophobicContact CD1-CB 4.4Å; I253-N311 HydrophobicContact CD1-CB 4.18Å
254T94.3Very high95.2Very high72 Ų7249 Ų4944%0.44225%0.246SC..THydrogen-bonded Turntrans-95-4.9177.956.50000114.1R250 T251 I252 P312R250-T254 WeakPolarHBondContact O-CB 3.36Å; R250-T254 VanDerWaalsContact O-CG2 3.31Å; R250-T254 WeakPolarHBondContact O-CG2 3.23Å; R250-T254 PolarHBondContact O-N 3.21Å; R250-T254 PolarHBondContact O-OG1 2.98Å; T251-T254 PolarHBondContact O-OG1 2.88Å; I252-T254 PolarHBondContact O-N 3.25Å; T254-P312 HydrophobicContact CG2-CG 3.72Å
255Y94.4Very high95.2Very high99 Ų9948.1 Ų48.139%0.38824%0.242SC..  trans-68.8131178.3-98-48.1000111.5F214 T251 I252 W257 F258F214-Y255 HydrophobicContact CE2-CD2 4.2Å; F214-Y255 HydrophobicContact CE2-CE2 4.32Å; T251-Y255 HydrophobicContact CG2-CD2 4.21Å; T251-Y255 HydrophobicContact CG2-CE2 3.62Å; T251-Y255 WeakPolarHBondContact O-CD2 3.48Å; T251-Y255 PolarHBondContact O-N 3.41Å; I252-Y255 HydrophobicContact CD1-CD2 4.06Å; I252-Y255 HydrophobicContact CD1-CE2 4.27Å; I252-Y255 PolarHBondContact O-N 2.73Å; I252-Y255 VanDerWaalsContact O-N 3.16Å; Y255-W257 PolarHBondContact O-N 2.74Å; Y255-W257 VanDerWaalsContact O-N 3.17Å; Y255-F258 HydrophobicContact CD2-CE2 4.45Å; Y255-F258 PolarHBondContact O-N 3.39Å
256P93.4Very high95.2Very high102 Ų10248.2 Ų48.266%0.66224%0.242SC*.G310 helixtrans-59.1-29.7178.3-27.536000114.3F258 Q259P256-F258 PolarHBondContact O-N 2.99Å; P256-Q259 PolarHBondContact O-N 3.25Å
257W93.8Very high95.2Very high132 Ų13246.8 Ų46.850%0.524%0.236SC..G310 helixtrans-51.9-26.2174.1-70.7103.3000113.6F214 E215 Y255F214-W257 HydrophobicContact CB-CB 4.15Å; F214-W257 HydrophobicContact CB-CD2 4.02Å; F214-W257 HydrophobicContact CB-CE3 4.13Å; F214-W257 HydrophobicContact CB-CG 4.05Å; F214-W257 HydrophobicContact CD2-CB 4.07Å; F214-W257 AromaticContact CD2-CD1 3.77Å; F214-W257 HydrophobicContact CD2-CD2 4.44Å; F214-W257 AromaticContact CD2-CG 3.83Å; F214-W257 HydrophobicContact CD2-CG 3.83Å; F214-W257 HydrophobicContact CG-CB 4.49Å; F214-W257 HydrophobicContact CG-CG 4.43Å; E215-W257 HydrophobicContact CG-CZ3 4.08Å; Y255-W257 PolarHBondContact O-N 2.74Å; Y255-W257 VanDerWaalsContact O-N 3.17Å
258F93.6Very high95.3Very high0 Ų044.6 Ų44.60%022%0.217CC..G310 helixtrans-115.614-169.7-60.6-42.9000113.5L37 L39 F214 V217 I220 I252 Y255 P256 N260 S261 K316L37-F258 HydrophobicContact CD2-CE1 3.94Å; L37-F258 HydrophobicContact CD2-CZ 3.75Å; L39-F258 HydrophobicContact CD1-CE2 4.32Å; L39-F258 HydrophobicContact CD1-CZ 4.3Å; F214-F258 HydrophobicContact CB-CE1 4.24Å; F214-F258 HydrophobicContact CB-CZ 4.28Å; F214-F258 HydrophobicContact CD1-CE1 4.03Å; F214-F258 HydrophobicContact CD1-CE2 4.34Å; F214-F258 AromaticContact CD1-CZ 3.4Å; F214-F258 HydrophobicContact CD1-CZ 3.4Å; F214-F258 HydrophobicContact CD2-CE1 4.48Å; F214-F258 HydrophobicContact CD2-CE2 4.14Å; F214-F258 AromaticContact CD2-CZ 3.79Å; F214-F258 HydrophobicContact CD2-CZ 3.79Å; F214-F258 HydrophobicContact CE1-CE1 4.49Å; F214-F258 HydrophobicContact CE1-CE2 4.08Å; F214-F258 AromaticContact CE1-CZ 3.46Å; F214-F258 HydrophobicContact CE1-CZ 3.46Å; F214-F258 VanDerWaalsContact CE1-CZ 3.46Å; F214-F258 AromaticContact CE2-CE2 3.88Å; F214-F258 HydrophobicContact CE2-CE2 3.88Å; F214-F258 AromaticContact CE2-CZ 3.86Å; F214-F258 HydrophobicContact CE2-CZ 3.86Å; F214-F258 HydrophobicContact CG-CE1 4.01Å; F214-F258 HydrophobicContact CG-CE2 4.36Å; F214-F258 AromaticContact CG-CZ 3.56Å; F214-F258 HydrophobicContact CG-CZ 3.56Å; F214-F258 AromaticContact CZ-CE2 3.84Å; F214-F258 HydrophobicContact CZ-CE2 3.84Å; F214-F258 AromaticContact CZ-CZ 3.69Å; F214-F258 HydrophobicContact CZ-CZ 3.69Å; V217-F258 HydrophobicContact CB-CD1 4.37Å; V217-F258 HydrophobicContact CB-CE1 4.17Å; V217-F258 HydrophobicContact CG1-CE1 4.36Å; V217-F258 HydrophobicContact CG2-CE1 4.06Å; I220-F258 HydrophobicContact CD1-CB 3.54Å; I220-F258 HydrophobicContact CD1-CD1 3.61Å; I220-F258 HydrophobicContact CD1-CD2 3.53Å; I220-F258 HydrophobicContact CD1-CE1 4.1Å; I220-F258 HydrophobicContact CD1-CE2 4.03Å; I220-F258 HydrophobicContact CD1-CG 3.28Å; I220-F258 HydrophobicContact CD1-CZ 4.26Å; I220-F258 HydrophobicContact CG1-CD1 4.14Å; I220-F258 HydrophobicContact CG1-CE1 4.37Å; I220-F258 HydrophobicContact CG1-CG 4.29Å; I252-F258 HydrophobicContact CD1-CE2 4.39Å; I252-F258 HydrophobicContact CG2-CD2 4.16Å; I252-F258 HydrophobicContact CG2-CE2 4.09Å; I252-F258 WeakPolarHBondContact O-CD2 3.2Å; Y255-F258 HydrophobicContact CD2-CE2 4.45Å; Y255-F258 PolarHBondContact O-N 3.39Å; P256-F258 PolarHBondContact O-N 2.99Å; F258-N260 VanDerWaalsContact C-N 3.25Å; F258-N260 PolarHBondContact O-N 3.47Å; F258-S261 PolarHBondContact O-N 3.07Å; F258-S261 VanDerWaalsContact O-N 3.15Å; F258-K316 PolarHBondContact O-NZ 3.13Å
259Q90Very high95.3Very high143 Ų14344.8 Ų44.867%0.66822%0.217SC*.THydrogen-bonded Turntrans-54.9-44.5-176.9-173.11733.700111.6P256P256-Q259 PolarHBondContact O-N 3.25Å
260N88.9Confident95.3Very high120 Ų12047.2 Ų47.264%0.64223%0.228SC*.THydrogen-bonded Turntrans-93.4-3.5-178.8-58.4-21.8000113.7F258F258-N260 VanDerWaalsContact C-N 3.25Å; F258-N260 PolarHBondContact O-N 3.47Å
261S92.7Very high95.4Very high7 Ų742.6 Ų42.65%0.04922%0.215CC..SBendtrans-79135.5177.9-52.10000110V217 T218 F258 K316V217-S261 PolarHBondContact O-OG 3.49Å; T218-S261 WeakPolarHBondContact O-CA 3.17Å; F258-S261 PolarHBondContact O-N 3.07Å; F258-S261 VanDerWaalsContact O-N 3.15Å; S261-K316 WeakPolarHBondContact O-CE 3.31Å
262S93Very high95.5Very high7 Ų741 Ų415%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-68.7149.9168.866.10000110.7T218 S219 I220T218-S262 PolarHBondContact O-N 2.84Å; S219-S262 CarbonylContact C-O 3.59Å; S219-S262 WeakPolarHBondContact CA-O 3.23Å; S219-S262 WeakPolarHBondContact CB-OG 3.32Å; S219-S262 PolarHBondContact OG-OG 3.15Å; I220-S262 PolarHBondContact N-O 2.64Å
263V95.7Very high95.6Very high1 Ų141 Ų411%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-117.6121.1-177.1-179.70000109.7F249 I253 K316 I318 Y319F249-V263 HydrophobicContact CE2-CG1 4.08Å; F249-V263 HydrophobicContact CZ-CG1 4.24Å; I253-V263 HydrophobicContact CG2-CG1 4.1Å; I253-V263 HydrophobicContact CG2-CG2 4.46Å; V263-K316 VanDerWaalsContact CG2-CE 3.47Å; V263-I318 HydrophobicContact CB-CG1 4.42Å; V263-I318 HydrophobicContact CG1-CG1 4.23Å; V263-I318 HydrophobicContact CG1-CG2 4.38Å; V263-Y319 PolarHBondContact O-N 3.46Å
264I97.3Very high95.7Very high0 Ų044.4 Ų44.40%022%0.219CC..EExtended strand (participates in β ladder)trans-112.3127174.1-61.9143.8000107.8I220 M221 F222 F266 Y319 V338 I342I220-I264 PolarHBondContact O-N 3.05Å; M221-I264 WeakPolarHBondContact CA-O 3.37Å; M221-I264 HydrophobicContact CE-CD1 4.21Å; M221-I264 HydrophobicContact CG-CB 4.41Å; M221-I264 HydrophobicContact CG-CD1 4.21Å; F222-I264 PolarHBondContact N-O 3.01Å; I264-F266 HydrophobicContact CG2-CD1 4Å; I264-F266 HydrophobicContact CG2-CE1 3.55Å; I264-F266 HydrophobicContact CG2-CE2 4.45Å; I264-F266 HydrophobicContact CG2-CZ 3.82Å; I264-Y319 CarbonylContact C-O 3.56Å; I264-Y319 VanDerWaalsContact CA-O 3.26Å; I264-Y319 WeakPolarHBondContact CA-O 3.34Å; I264-V338 HydrophobicContact CD1-CG1 3.47Å; I264-V338 VanDerWaalsContact CD1-CG1 3.47Å; I264-V338 HydrophobicContact CG1-CG1 4.3Å; I264-V338 HydrophobicContact CG2-CG2 3.88Å; I264-I342 HydrophobicContact CD1-CD1 3.85Å; I264-I342 HydrophobicContact CD1-CG1 3.89Å
265L98.4Very high95.8Very high0 Ų044.6 Ų44.60%022%0.216CC..EExtended strand (participates in β ladder)trans-107110.1179.718065.3000109.8F222 V224 F249 L267 L304 F307 I318 Y319 S320 H321F222-L265 HydrophobicContact CB-CD1 4.45Å; F222-L265 HydrophobicContact CD1-CD1 4.15Å; V224-L265 HydrophobicContact CG2-CD1 3.66Å; F249-L265 HydrophobicContact CD2-CD1 4.39Å; F249-L265 HydrophobicContact CE2-CD1 4.01Å; F249-L265 HydrophobicContact CZ-CD1 4.23Å; L265-L267 HydrophobicContact CD2-CD1 4.07Å; L265-L267 HydrophobicContact CD2-CG 4.48Å; L265-L267 HydrophobicContact CG-CD1 4.02Å; L265-L267 HydrophobicContact CG-CG 4.33Å; L265-L304 HydrophobicContact CD2-CD1 4.13Å; L265-F307 HydrophobicContact CD1-CD1 4.24Å; L265-F307 HydrophobicContact CD2-CB 3.66Å; L265-F307 HydrophobicContact CD2-CG 4.37Å; L265-I318 HydrophobicContact CB-CG2 3.67Å; L265-I318 HydrophobicContact CD2-CG2 4.27Å; L265-Y319 PolarHBondContact N-O 3.5Å; L265-S320 CarbonylContact O-C 3.46Å; L265-S320 VanDerWaalsContact O-CA 3.29Å; L265-S320 WeakPolarHBondContact O-CA 3.41Å; L265-H321 PolarHBondContact O-N 3.32Å
266F98.6Very high95.9Very high2 Ų240.6 Ų40.61%0.00920%0.2CC..EExtended strand (participates in β ladder)trans-92.4113.9171.9-67.4-35.7000110.5F49 M221 F222 V223 V224 I264 N268 H321 T323 V334 V338F49-F266 HydrophobicContact CD1-CE2 4.44Å; F49-F266 HydrophobicContact CD2-CD2 4.43Å; F49-F266 HydrophobicContact CD2-CE2 4.13Å; F49-F266 AromaticContact CE1-CE2 3.97Å; F49-F266 HydrophobicContact CE1-CE2 3.97Å; F49-F266 HydrophobicContact CE1-CZ 4.43Å; F49-F266 HydrophobicContact CE2-CD2 4.25Å; F49-F266 AromaticContact CE2-CE2 3.6Å; F49-F266 HydrophobicContact CE2-CE2 3.6Å; F49-F266 AromaticContact CE2-CZ 3.81Å; F49-F266 HydrophobicContact CE2-CZ 3.81Å; F49-F266 AromaticContact CZ-CE2 3.52Å; F49-F266 HydrophobicContact CZ-CE2 3.52Å; F49-F266 AromaticContact CZ-CZ 3.65Å; F49-F266 HydrophobicContact CZ-CZ 3.65Å; M221-F266 HydrophobicContact CB-CD2 4.44Å; M221-F266 HydrophobicContact CB-CE2 4.14Å; M221-F266 HydrophobicContact CE-CE2 4.46Å; M221-F266 HydrophobicContact CE-CZ 4.4Å; M221-F266 HydrophobicContact CG-CE2 4.1Å; M221-F266 HydrophobicContact SD-CE2 4.09Å; F222-F266 PolarHBondContact O-N 3.11Å; V223-F266 HydrophobicContact CG1-CB 4.36Å; V223-F266 HydrophobicContact CG2-CB 4.37Å; V223-F266 HydrophobicContact CG2-CD2 4.14Å; V224-F266 PolarHBondContact N-O 3.4Å; I264-F266 HydrophobicContact CG2-CD1 4Å; I264-F266 HydrophobicContact CG2-CE1 3.55Å; I264-F266 HydrophobicContact CG2-CE2 4.45Å; I264-F266 HydrophobicContact CG2-CZ 3.82Å; F266-N268 PolarHBondContact O-N 2.97Å; F266-H321 HydrophobicContact CD1-CB 4.04Å; F266-H321 HydrophobicContact CE1-CB 4.23Å; F266-T323 HydrophobicContact CD1-CG2 4.01Å; F266-T323 HydrophobicContact CG-CG2 4.4Å; F266-V334 HydrophobicContact CD1-CG1 4.13Å; F266-V334 HydrophobicContact CE1-CG1 3.44Å; F266-V334 VanDerWaalsContact CE1-CG1 3.44Å; F266-V334 HydrophobicContact CZ-CG1 4.13Å; F266-V338 HydrophobicContact CE1-CG2 3.76Å; F266-V338 HydrophobicContact CZ-CG2 3.88Å
267L98.8Very high96.1Very high0 Ų035.8 Ų35.80%017%0.169CC..EExtended strand (participates in β ladder)trans-92.287.2170.8-63.3109000108.1L226 L265 I303 L304 H321 F322 T323L226-L267 HydrophobicContact CD1-CB 3.99Å; L226-L267 HydrophobicContact CD2-CB 3.96Å; L226-L267 HydrophobicContact CD2-CD2 3.77Å; L226-L267 HydrophobicContact CD2-CG 4.47Å; L226-L267 HydrophobicContact CG-CB 3.97Å; L265-L267 HydrophobicContact CD2-CD1 4.07Å; L265-L267 HydrophobicContact CD2-CG 4.48Å; L265-L267 HydrophobicContact CG-CD1 4.02Å; L265-L267 HydrophobicContact CG-CG 4.33Å; L267-I303 HydrophobicContact CD2-CG2 4.11Å; L267-L304 HydrophobicContact CD1-CB 4.39Å; L267-L304 HydrophobicContact CD1-CD1 3.73Å; L267-L304 HydrophobicContact CD2-CB 3.97Å; L267-H321 PolarHBondContact N-O 3.43Å; L267-F322 HydrophobicContact CB-CD1 3.57Å; L267-F322 HydrophobicContact CB-CE1 3.85Å; L267-F322 HydrophobicContact CD1-CD1 4.32Å; L267-F322 HydrophobicContact CD1-CE1 4.11Å; L267-F322 HydrophobicContact CD2-CE1 4.02Å; L267-F322 HydrophobicContact CG-CD1 4.36Å; L267-F322 HydrophobicContact CG-CE1 4.2Å; L267-F322 CarbonylContact O-C 3.56Å; L267-F322 WeakPolarHBondContact O-CA 3.3Å; L267-T323 PolarHBondContact O-N 2.73Å
268N98.7Very high96.3Very high6 Ų633.7 Ų33.73%0.03217%0.165CC..EExtended strand (participates in β ladder)trans-89.2167.3-170.5-171.336.5000112.7S44 V223 V224 L226 F266 K270 T323 A325S44-N268 PolarHBondContact O-ND2 3.03Å; V223-N268 HydrophobicContact CG1-CB 3.87Å; V224-N268 WeakPolarHBondContact O-CA 3.38Å; V224-N268 WeakPolarHBondContact O-CB 3.23Å; V224-N268 PolarHBondContact O-N 3.43Å; L226-N268 VanDerWaalsContact CB-O 3.29Å; L226-N268 WeakPolarHBondContact CB-O 3.33Å; L226-N268 WeakPolarHBondContact CG-O 3.4Å; L226-N268 PolarHBondContact N-O 3.44Å; F266-N268 PolarHBondContact O-N 2.97Å; N268-K270 VanDerWaalsContact C-N 3.31Å; N268-K270 PolarHBondContact O-N 3.33Å; N268-T323 CarbonylContact C-O 3.55Å; N268-T323 WeakPolarHBondContact CA-O 3.44Å; N268-T323 WeakPolarHBondContact CA-OG1 3.05Å; N268-T323 WeakPolarHBondContact CB-OG1 3.37Å; N268-T323 PolarHBondContact OD1-O 2.92Å; N268-T323 PolarHBondContact OD1-OG1 2.92Å; N268-A325 WeakPolarHBondContact OD1-CB 3.46Å; N268-A325 PolarHBondContact OD1-N 3.14Å
269K98.4Very high96.4Very high17 Ų1738.9 Ų38.97%0.07420%0.198CC..  trans61.437.5-179.2-50-177.5-174179.50112.6E43 D149 A225 S227 E228 D271 L272 L273 T323E43-K269 WeakPolarHBondContact O-CE 3.44Å; E43-K269 PolarHBondContact O-NZ 2.89Å; D149-K269 VanDerWaalsContact OD2-CE 3.3Å; D149-K269 WeakPolarHBondContact OD2-CE 3.22Å; D149-K269 IonicContact OD2-NZ 3.36Å; D149-K269 PolarHBondContact OD2-NZ 3.31Å; A225-K269 HydrophobicContact CB-CD 3.76Å; A225-K269 HydrophobicContact CB-CG 4.41Å; S227-K269 VanDerWaalsContact OG-CD 3.27Å; S227-K269 WeakPolarHBondContact OG-CD 3.33Å; E228-K269 IonicContact OE1-NZ 3.37Å; K269-D271 VanDerWaalsContact C-OD1 3.29Å; K269-D271 WeakPolarHBondContact CA-OD1 3.04Å; K269-D271 PolarHBondContact O-N 3.11Å; K269-L272 HydrophobicContact CB-CB 4.29Å; K269-L272 HydrophobicContact CB-CD1 4.23Å; K269-L272 HydrophobicContact CB-CG 4.46Å; K269-L272 HydrophobicContact CD-CD1 4.12Å; K269-L272 HydrophobicContact CG-CD1 4.46Å; K269-L272 PolarHBondContact O-N 2.91Å; K269-L272 VanDerWaalsContact O-N 3.14Å; K269-L273 PolarHBondContact O-N 3.33Å; K269-T323 PolarHBondContact N-O 3.45Å; K269-T323 VanDerWaalsContact N-O 3.1Å
270K98Very high96.7Very high51 Ų5132.2 Ų32.222%0.22217%0.167CC..Hα-helixtrans-58.3-33.1177.870.7179.9-174.3175.60112.5L226 N268 L273 E274 F322 T323 C324L226-K270 HydrophobicContact CD1-CB 3.95Å; N268-K270 VanDerWaalsContact C-N 3.31Å; N268-K270 PolarHBondContact O-N 3.33Å; K270-L273 PolarHBondContact O-N 3.42Å; K270-E274 WeakPolarHBondContact O-CB 3.44Å; K270-E274 VanDerWaalsContact O-CG 3.3Å; K270-E274 WeakPolarHBondContact O-CG 3.49Å; K270-E274 PolarHBondContact O-N 3.14Å; K270-F322 HydrophobicContact CD-CB 4.3Å; K270-T323 PolarHBondContact N-O 3.23Å; K270-C324 HydrophobicContact CG-CB 4.4Å
271D97.8Very high97Very high59 Ų5929 Ų2932%0.31615%0.148SC..Hα-helixtrans-62.4-42.6175.655.2-50.1000112.1K269 E274 E275 C324K269-D271 VanDerWaalsContact C-OD1 3.29Å; K269-D271 WeakPolarHBondContact CA-OD1 3.04Å; K269-D271 PolarHBondContact O-N 3.11Å; D271-E274 WeakPolarHBondContact O-CB 3Å; D271-E274 PolarHBondContact O-N 3.4Å; D271-E275 PolarHBondContact O-N 3.29Å; D271-E275 VanDerWaalsContact O-N 3.11Å; D271-C324 PolarHBondContact OD1-SG 3.2Å; D271-C324 VanDerWaalsContact OD1-SG 3.41Å
272L97.9Very high97.3Very high31 Ų3128.7 Ų28.716%0.16215%0.146CC..Hα-helixtrans-75.6-31.3177.9-61.1-178.5000112.2D149 K269 K276D149-L272 HydrophobicContact CB-CD1 3.65Å; D149-L272 VanDerWaalsContact CG-CD1 3.41Å; K269-L272 HydrophobicContact CB-CB 4.29Å; K269-L272 HydrophobicContact CB-CD1 4.23Å; K269-L272 HydrophobicContact CB-CG 4.46Å; K269-L272 HydrophobicContact CD-CD1 4.12Å; K269-L272 HydrophobicContact CG-CD1 4.46Å; K269-L272 PolarHBondContact O-N 2.91Å; K269-L272 VanDerWaalsContact O-N 3.14Å; L272-K276 WeakPolarHBondContact O-CB 3.35Å; L272-K276 VanDerWaalsContact O-CG 3.23Å; L272-K276 WeakPolarHBondContact O-CG 3.41Å; L272-K276 PolarHBondContact O-N 3.37Å
273L98.4Very high97.5Very high1 Ų129.7 Ų29.71%0.00515%0.154CC..Hα-helixtrans-62.3-47.2168.6175.269.2000110.7L226 Y229 K269 K270 E275 K276 I277 A299 R300 I303L226-L273 HydrophobicContact CB-CB 3.91Å; L226-L273 HydrophobicContact CB-CD2 4.01Å; L226-L273 HydrophobicContact CB-CG 4.42Å; L226-L273 HydrophobicContact CD1-CD2 4.06Å; L226-L273 HydrophobicContact CD2-CD2 4.36Å; L226-L273 HydrophobicContact CG-CD2 4.39Å; Y229-L273 HydrophobicContact CD1-CD1 3.8Å; Y229-L273 HydrophobicContact CE1-CD1 3.59Å; K269-L273 PolarHBondContact O-N 3.33Å; K270-L273 PolarHBondContact O-N 3.42Å; L273-E275 VanDerWaalsContact C-N 3.26Å; L273-E275 PolarHBondContact O-N 3.03Å; L273-K276 PolarHBondContact O-N 2.91Å; L273-I277 WeakPolarHBondContact O-CB 3.11Å; L273-I277 PolarHBondContact O-N 3.4Å; L273-A299 HydrophobicContact CD2-CB 4.44Å; L273-R300 HydrophobicContact CD2-CB 3.67Å; L273-I303 HydrophobicContact CD1-CD1 4.45Å; L273-I303 HydrophobicContact CD2-CD1 4.42Å
274E97.9Very high97.5Very high82 Ų8235.4 Ų35.438%0.38318%0.184SC..Hα-helixtrans-56.2-39.5177.8-79.3168.8-159.100112K270 D271 P296 R300K270-E274 WeakPolarHBondContact O-CB 3.44Å; K270-E274 VanDerWaalsContact O-CG 3.3Å; K270-E274 WeakPolarHBondContact O-CG 3.49Å; K270-E274 PolarHBondContact O-N 3.14Å; D271-E274 WeakPolarHBondContact O-CB 3Å; D271-E274 PolarHBondContact O-N 3.4Å; E274-P296 HydrophobicContact CB-CB 4.21Å; E274-P296 HydrophobicContact CB-CG 4.26Å; E274-P296 HydrophobicContact CG-CB 3.45Å; E274-P296 VanDerWaalsContact CG-CB 3.45Å; E274-P296 HydrophobicContact CG-CG 3.89Å; E274-R300 IonicContact OE1-NH1 2.68Å
275E96.7Very high97.5Very high77 Ų7739.2 Ų39.236%0.3620%0.2SC..Hα-helixtrans-68.3-50.9173.4-173.8-175.1149.200112.1R142 D271 L273 M278R142-E275 IonicContact CZ-OE1 3.35Å; R142-E275 IonicContact NH2-OE1 3.84Å; R142-E275 PolarHBondContact NH2-OE1 2.96Å; D271-E275 PolarHBondContact O-N 3.29Å; D271-E275 VanDerWaalsContact O-N 3.11Å; L273-E275 VanDerWaalsContact C-N 3.26Å; L273-E275 PolarHBondContact O-N 3.03Å; E275-M278 WeakPolarHBondContact O-CB 3.48Å; E275-M278 PolarHBondContact O-N 3.32Å
276K96.9Very high97.5Very high15 Ų1539.3 Ų39.37%0.06520%0.2CC..Hα-helixtrans-71.8-36-168.8-71.717668.2167.90113.3S227 Y229 D230 L272 L273 M278 T279 S280S227-K276 PolarHBondContact O-NZ 3.37Å; Y229-K276 HydrophobicContact CE1-CB 4.1Å; Y229-K276 VanDerWaalsContact OH-C 3.24Å; Y229-K276 WeakPolarHBondContact OH-CB 3.42Å; Y229-K276 PolarHBondContact OH-O 3Å; D230-K276 WeakPolarHBondContact OD1-CE 3.49Å; D230-K276 IonicContact OD1-NZ 3.59Å; D230-K276 PolarHBondContact OD1-NZ 3.07Å; D230-K276 WeakPolarHBondContact OD2-CE 3.38Å; D230-K276 IonicContact OD2-NZ 2.93Å; D230-K276 PolarHBondContact OD2-NZ 3.01Å; L272-K276 WeakPolarHBondContact O-CB 3.35Å; L272-K276 VanDerWaalsContact O-CG 3.23Å; L272-K276 WeakPolarHBondContact O-CG 3.41Å; L272-K276 PolarHBondContact O-N 3.37Å; L273-K276 PolarHBondContact O-N 2.91Å; K276-M278 PolarHBondContact O-N 3.42Å; K276-T279 PolarHBondContact O-N 2.91Å; K276-T279 PolarHBondContact O-OG1 3.48Å; K276-S280 PolarHBondContact O-N 3.33Å
277I97.4Very high97.4Very high1 Ų144 Ų441%0.00523%0.231CC..THydrogen-bonded Turntrans-61.3-19.6-177-157.166.5000112.8Y229 L273 T279 L282 R294 P296 A299Y229-I277 PolarHBondContact OH-N 3.3Å; L273-I277 WeakPolarHBondContact O-CB 3.11Å; L273-I277 PolarHBondContact O-N 3.4Å; I277-T279 VanDerWaalsContact C-N 3.28Å; I277-T279 PolarHBondContact O-N 3.5Å; I277-L282 HydrophobicContact CD1-CB 3.81Å; I277-R294 WeakPolarHBondContact O-CA 3.17Å; I277-P296 HydrophobicContact CG2-CB 4.17Å; I277-P296 HydrophobicContact CG2-CG 3.7Å; I277-A299 HydrophobicContact CD1-CB 3.84Å; I277-A299 HydrophobicContact CG1-CB 4.03Å
278M97Very high97.4Very high87 Ų8750.4 Ų50.443%0.42926%0.261SS..THydrogen-bonded Turntrans-68.5-27.2176.5-57.9-50.5-63.400113.1E275 K276 R294E275-M278 WeakPolarHBondContact O-CB 3.48Å; E275-M278 PolarHBondContact O-N 3.32Å; K276-M278 PolarHBondContact O-N 3.42Å; M278-R294 HydrophobicContact CE-CB 3.95Å; M278-R294 HydrophobicContact CE-CG 4.45Å; M278-R294 PolarHBondContact O-NE 3.01Å; M278-R294 HydrophobicContact SD-CB 3.93Å
279T95.5Very high97.3Very high110 Ų11050.7 Ų50.768%0.67526%0.261SS*.THydrogen-bonded Turntrans-125.6-15.8-173.760.90000114.3K276 I277K276-T279 PolarHBondContact O-N 2.91Å; K276-T279 PolarHBondContact O-OG1 3.48Å; I277-T279 VanDerWaalsContact C-N 3.28Å; I277-T279 PolarHBondContact O-N 3.5Å
280S96.7Very high97.2Very high3 Ų357.4 Ų57.42%0.02130%0.298CS..SBendtrans-128.9104.7-178.7176.70000108.4Y229 D230 K276Y229-S280 WeakPolarHBondContact OH-CB 3.37Å; Y229-S280 PolarHBondContact OH-O 3.44Å; D230-S280 WeakPolarHBondContact CB-OG 3.47Å; D230-S280 WeakPolarHBondContact OD2-CB 3.38Å; D230-S280 PolarHBondContact OD2-OG 3.5Å; K276-S280 PolarHBondContact O-N 3.33Å
281H95.8Very high97.1Very high53 Ų5355.9 Ų55.925%0.24530%0.297CS..  trans-79.8130.4-171.9-172.57.2000110.8A283 D284 Y289H281-A283 VanDerWaalsContact C-N 3.25Å; H281-A283 PolarHBondContact O-N 3.06Å; H281-D284 WeakPolarHBondContact O-CB 3.49Å; H281-D284 PolarHBondContact O-N 2.95Å; H281-D284 VanDerWaalsContact O-N 3.13Å; H281-Y289 AromaticContact CE1-CD1 3.93Å; H281-Y289 AromaticContact CE1-CE1 3.74Å
282L97.9Very high97Very high0 Ų056.2 Ų56.20%030%0.302CS..G310 helixtrans-55.5-35.8-179.3-172.461.7000114.2Y229 I277 D284 Y285 F286 Y289 A299 F302 I303Y229-L282 HydrophobicContact CD2-CD1 3.56Å; Y229-L282 HydrophobicContact CE2-CD1 4.32Å; Y229-L282 HydrophobicContact CG-CD1 3.73Å; I277-L282 HydrophobicContact CD1-CB 3.81Å; L282-D284 PolarHBondContact O-N 3.4Å; L282-Y285 PolarHBondContact O-N 3.47Å; L282-Y285 VanDerWaalsContact O-N 3.09Å; L282-F286 HydrophobicContact CD1-CD2 3.66Å; L282-F286 HydrophobicContact CD1-CE2 4.35Å; L282-F286 HydrophobicContact CD1-CG 4.38Å; L282-F286 HydrophobicContact CG-CB 4.46Å; L282-F286 HydrophobicContact CG-CD2 4.46Å; L282-F286 PolarHBondContact O-N 3.27Å; L282-Y289 HydrophobicContact CB-CD1 3.95Å; L282-Y289 HydrophobicContact CB-CE1 4.25Å; L282-Y289 HydrophobicContact CB-CG 4.26Å; L282-Y289 HydrophobicContact CD2-CD1 4.31Å; L282-Y289 HydrophobicContact CD2-CD2 3.78Å; L282-Y289 HydrophobicContact CD2-CE2 4.08Å; L282-Y289 HydrophobicContact CD2-CG 3.88Å; L282-Y289 HydrophobicContact CG-CD1 4.35Å; L282-Y289 HydrophobicContact CG-CG 4.15Å; L282-A299 HydrophobicContact CD2-CB 3.97Å; L282-F302 HydrophobicContact CD2-CD1 3.67Å; L282-F302 HydrophobicContact CD2-CE1 4.22Å; L282-F302 HydrophobicContact CD2-CG 4.42Å; L282-I303 HydrophobicContact CD1-CD1 4.45Å; L282-I303 HydrophobicContact CD2-CD1 4.42Å; L282-I303 HydrophobicContact CD2-CG1 4.29Å
283A97.5Very high96.9Very high27 Ų2758.8 Ų58.822%0.22332%0.321CS..G310 helixtrans-62.3-23.7-179.700000113.8H281 Y285 F286 Y289H281-A283 VanDerWaalsContact C-N 3.25Å; H281-A283 PolarHBondContact O-N 3.06Å; A283-Y285 PolarHBondContact O-N 2.87Å; A283-F286 WeakPolarHBondContact CA-O 3.21Å; A283-Y289 HydrophobicContact CB-CD1 4.19Å
284D96.8Very high96.8Very high121 Ų12166.7 Ų66.765%0.64735%0.35SS*.G310 helixtrans-69.3-19.8178-61.2-29.3000112.1H281 L282H281-D284 WeakPolarHBondContact O-CB 3.49Å; H281-D284 PolarHBondContact O-N 2.95Å; H281-D284 VanDerWaalsContact O-N 3.13Å; L282-D284 PolarHBondContact O-N 3.4Å
285Y97.3Very high96.8Very high81 Ų8165.3 Ų65.332%0.31835%0.346SS..THydrogen-bonded Turntrans-116.3-29.8-177-57.9-86.3000112.7Y229 D230 L282 A283Y229-Y285 HydrophobicContact CD2-CD2 4.04Å; Y229-Y285 HydrophobicContact CE2-CD2 4.23Å; Y229-Y285 HydrophobicContact CE2-CE2 4.48Å; Y229-Y285 WeakPolarHBondContact O-CB 3.35Å; D230-Y285 HydrophobicContact CB-CD1 4.19Å; D230-Y285 HydrophobicContact CB-CD2 3.8Å; D230-Y285 HydrophobicContact CB-CE1 3.76Å; D230-Y285 HydrophobicContact CB-CE2 3.34Å; D230-Y285 HydrophobicContact CB-CG 4.2Å; L282-Y285 PolarHBondContact O-N 3.47Å; L282-Y285 VanDerWaalsContact O-N 3.09Å; A283-Y285 PolarHBondContact O-N 2.87Å
286F97.7Very high96.8Very high2 Ų263 Ų631%0.00934%0.338CS..  trans-126.784177.2-68.1-91.5000108.5M242 E243 K246 L282 A283 E288 Y289 F302M242-F286 HydrophobicContact CB-CE2 4.29Å; M242-F286 HydrophobicContact CB-CZ 3.81Å; M242-F286 HydrophobicContact CG-CE2 4.35Å; M242-F286 HydrophobicContact CG-CZ 3.72Å; M242-F286 HydrophobicContact SD-CE2 3.94Å; M242-F286 HydrophobicContact SD-CZ 3.79Å; E243-F286 HydrophobicContact CG-CE1 4.19Å; E243-F286 HydrophobicContact CG-CZ 4.29Å; E243-F286 WeakPolarHBondContact OE1-CE1 3.43Å; K246-F286 HydrophobicContact CD-CE1 4.09Å; L282-F286 HydrophobicContact CD1-CD2 3.66Å; L282-F286 HydrophobicContact CD1-CE2 4.35Å; L282-F286 HydrophobicContact CD1-CG 4.38Å; L282-F286 HydrophobicContact CG-CB 4.46Å; L282-F286 HydrophobicContact CG-CD2 4.46Å; L282-F286 PolarHBondContact O-N 3.27Å; A283-F286 WeakPolarHBondContact CA-O 3.21Å; F286-E288 PolarHBondContact O-N 3.44Å; F286-Y289 VanDerWaalsContact O-CB 3.3Å; F286-Y289 WeakPolarHBondContact O-CB 3.44Å; F286-Y289 PolarHBondContact O-N 3.15Å; F286-F302 HydrophobicContact CB-CE1 3.88Å; F286-F302 HydrophobicContact CB-CZ 4.15Å; F286-F302 HydrophobicContact CD1-CE1 4.45Å; F286-F302 HydrophobicContact CG-CE1 4.28Å
287P97.2Very high96.9Very high101 Ų10166.9 Ų66.966%0.65636%0.358SS*.THydrogen-bonded Turntrans-60.2-16.2-174.6-25.235.9000114.6Y289P287-Y289 PolarHBondContact O-N 3.25Å
288E96.9Very high96.9Very high134 Ų13468 Ų6863%0.62637%0.367SS*.THydrogen-bonded Turntrans-74.2-11.7174.3-54.578.8-171.700113.1F286 D290 F302F286-E288 PolarHBondContact O-N 3.44Å; E288-D290 PolarHBondContact O-N 3.47Å; E288-F302 HydrophobicContact CB-CE2 4.34Å; E288-F302 HydrophobicContact CB-CZ 4.25Å
289Y97.8Very high97Very high12 Ų1263.8 Ų63.85%0.04735%0.347CS..  trans-72.8111.7175.2179.6-109000110.9H281 L282 A283 F286 P287 G291 P292 A298 F302H281-Y289 AromaticContact CE1-CD1 3.93Å; H281-Y289 AromaticContact CE1-CE1 3.74Å; L282-Y289 HydrophobicContact CB-CD1 3.95Å; L282-Y289 HydrophobicContact CB-CE1 4.25Å; L282-Y289 HydrophobicContact CB-CG 4.26Å; L282-Y289 HydrophobicContact CD2-CD1 4.31Å; L282-Y289 HydrophobicContact CD2-CD2 3.78Å; L282-Y289 HydrophobicContact CD2-CE2 4.08Å; L282-Y289 HydrophobicContact CD2-CG 3.88Å; L282-Y289 HydrophobicContact CG-CD1 4.35Å; L282-Y289 HydrophobicContact CG-CG 4.15Å; A283-Y289 HydrophobicContact CB-CD1 4.19Å; F286-Y289 VanDerWaalsContact O-CB 3.3Å; F286-Y289 WeakPolarHBondContact O-CB 3.44Å; F286-Y289 PolarHBondContact O-N 3.15Å; P287-Y289 PolarHBondContact O-N 3.25Å; Y289-G291 WeakPolarHBondContact CE1-O 3.45Å; Y289-G291 VanDerWaalsContact CZ-CA 3.43Å; Y289-P292 PolarHBondContact OH-O 3.44Å; Y289-A298 HydrophobicContact CE2-CB 4.49Å; Y289-A298 VanDerWaalsContact OH-CB 3.26Å; Y289-A298 WeakPolarHBondContact OH-CB 3.11Å; Y289-F302 HydrophobicContact CD2-CB 3.61Å; Y289-F302 AromaticContact CD2-CD1 3.91Å; Y289-F302 HydrophobicContact CD2-CD1 3.91Å; Y289-F302 AromaticContact CD2-CD2 3.75Å; Y289-F302 HydrophobicContact CD2-CD2 3.75Å; Y289-F302 HydrophobicContact CD2-CE2 4.36Å; Y289-F302 AromaticContact CD2-CG 3.48Å; Y289-F302 HydrophobicContact CD2-CG 3.48Å; Y289-F302 VanDerWaalsContact CD2-CG 3.48Å; Y289-F302 HydrophobicContact CE2-CB 3.83Å; Y289-F302 HydrophobicContact CE2-CG 4.22Å; Y289-F302 HydrophobicContact CG-CG 4.39Å
290D95.8Very high97.1Very high157 Ų15761 Ų6184%0.8432%0.324SS*.  trans-1034.1178.165.8-14.6000113.5E288E288-D290 PolarHBondContact O-N 3.47Å
291G95.2Very high97.2Very high19 Ų1965 Ų6520%0.19634%0.342CS..SBendtrans-74.9167.4179.500000113.8Y289Y289-G291 WeakPolarHBondContact CE1-O 3.45Å; Y289-G291 VanDerWaalsContact CZ-CA 3.43Å
292P96.4Very high97.3Very high67 Ų6764 Ų6444%0.43534%0.337SS..PPolyproline II helixtrans-61.7146.7-179.523.7-32000112.4Y289 D295 A298Y289-P292 PolarHBondContact OH-O 3.44Å; P292-D295 HydrophobicContact CB-CB 4.32Å; P292-D295 HydrophobicContact CG-CB 3.72Å; P292-A298 HydrophobicContact CG-CB 4.08Å
293P95.5Very high97.4Very high85 Ų8564.1 Ų64.155%0.55234%0.338SS*.THydrogen-bonded Turntrans-66.6150.2170.429-34.4000110.3D295P293-D295 PolarHBondContact O-N 2.55Å
294R96.7Very high97.4Very high166 Ų16663.9 Ų63.963%0.62633%0.332SS*.THydrogen-bonded Turntrans58.729.1175.8-51.8-178.3171.1160.82.6114.7I277 M278I277-R294 WeakPolarHBondContact O-CA 3.17Å; M278-R294 HydrophobicContact CE-CB 3.95Å; M278-R294 HydrophobicContact CE-CG 4.45Å; M278-R294 PolarHBondContact O-NE 3.01Å; M278-R294 HydrophobicContact SD-CB 3.93Å
295D97.8Very high97.5Very high54 Ų5463.9 Ų63.929%0.28933%0.327SS..  trans-111.9104.3173.7-173.1-27.6000109.8P292 P293 I297 A298 A299P292-D295 HydrophobicContact CB-CB 4.32Å; P292-D295 HydrophobicContact CG-CB 3.72Å; P293-D295 PolarHBondContact O-N 2.55Å; D295-I297 VanDerWaalsContact C-N 3.26Å; D295-I297 PolarHBondContact O-N 2.82Å; D295-I297 WeakPolarHBondContact OD1-CA 3.16Å; D295-I297 WeakPolarHBondContact OD1-CB 3.36Å; D295-I297 PolarHBondContact OD1-N 3.01Å; D295-A298 HydrophobicContact CB-CB 3.94Å; D295-A298 PolarHBondContact OD1-N 3.45Å; D295-A299 VanDerWaalsContact O-CB 3.3Å; D295-A299 WeakPolarHBondContact O-CB 3.27Å; D295-A299 PolarHBondContact O-N 2.74Å
296P97.7Very high97.5Very high29 Ų2961.2 Ų61.219%0.18832%0.319CS..Hα-helixtrans-64.3-29179.2-18.828.4000114.2E274 I277 R300E274-P296 HydrophobicContact CB-CB 4.21Å; E274-P296 HydrophobicContact CB-CG 4.26Å; E274-P296 HydrophobicContact CG-CB 3.45Å; E274-P296 VanDerWaalsContact CG-CB 3.45Å; E274-P296 HydrophobicContact CG-CG 3.89Å; I277-P296 HydrophobicContact CG2-CB 4.17Å; I277-P296 HydrophobicContact CG2-CG 3.7Å; P296-R300 WeakPolarHBondContact O-CB 3.37Å; P296-R300 WeakPolarHBondContact O-CG 3.43Å; P296-R300 PolarHBondContact O-N 3.42Å
297I98.2Very high97.5Very high95 Ų9561.2 Ų61.249%0.48732%0.319SS..Hα-helixtrans-74-51.3-179-59.8178.5000108.6D295 A299 R300 E301D295-I297 VanDerWaalsContact C-N 3.26Å; D295-I297 PolarHBondContact O-N 2.82Å; D295-I297 WeakPolarHBondContact OD1-CA 3.16Å; D295-I297 WeakPolarHBondContact OD1-CB 3.36Å; D295-I297 PolarHBondContact OD1-N 3.01Å; I297-A299 VanDerWaalsContact C-N 3.28Å; I297-A299 PolarHBondContact O-N 3.3Å; I297-R300 WeakPolarHBondContact O-CG 3.49Å; I297-R300 PolarHBondContact O-N 3Å; I297-E301 HydrophobicContact CG2-CG 4.33Å; I297-E301 WeakPolarHBondContact O-CB 3.48Å; I297-E301 VanDerWaalsContact O-CG 3.29Å; I297-E301 WeakPolarHBondContact O-CG 3.21Å; I297-E301 PolarHBondContact O-N 3.33Å
298A98.3Very high97.6Very high24 Ų2459 Ų5920%0.19830%0.303CS..Hα-helixtrans-58.6-42176.800000111.8Y289 P292 D295 F302Y289-A298 HydrophobicContact CE2-CB 4.49Å; Y289-A298 VanDerWaalsContact OH-CB 3.26Å; Y289-A298 WeakPolarHBondContact OH-CB 3.11Å; P292-A298 HydrophobicContact CG-CB 4.08Å; D295-A298 HydrophobicContact CB-CB 3.94Å; D295-A298 PolarHBondContact OD1-N 3.45Å; A298-F302 WeakPolarHBondContact O-CB 3.3Å; A298-F302 PolarHBondContact O-N 3.27Å
299A98.5Very high97.5Very high0 Ų057.3 Ų57.30%030%0.299CS..Hα-helixtrans-61.2-49.2177.600000112.9L273 I277 L282 D295 I297 E301 F302 I303L273-A299 HydrophobicContact CD2-CB 4.44Å; I277-A299 HydrophobicContact CD1-CB 3.84Å; I277-A299 HydrophobicContact CG1-CB 4.03Å; L282-A299 HydrophobicContact CD2-CB 3.97Å; D295-A299 VanDerWaalsContact O-CB 3.3Å; D295-A299 WeakPolarHBondContact O-CB 3.27Å; D295-A299 PolarHBondContact O-N 2.74Å; I297-A299 VanDerWaalsContact C-N 3.28Å; I297-A299 PolarHBondContact O-N 3.3Å; A299-E301 PolarHBondContact O-N 2.77Å; A299-F302 PolarHBondContact O-N 3.2Å; A299-I303 WeakPolarHBondContact O-CG1 3.42Å; A299-I303 PolarHBondContact O-N 2.95Å
300R98.1Very high97.5Very high52 Ų5258.6 Ų58.620%0.19631%0.306CS..Hα-helixtrans-69.8-33.7-177.977.6-175.6-177.4-158.3-3.2112.6L226 L273 E274 P296 I297 I303 L304 F322L226-R300 HydrophobicContact CD1-CB 4.37Å; L273-R300 HydrophobicContact CD2-CB 3.67Å; E274-R300 IonicContact OE1-NH1 2.68Å; P296-R300 WeakPolarHBondContact O-CB 3.37Å; P296-R300 WeakPolarHBondContact O-CG 3.43Å; P296-R300 PolarHBondContact O-N 3.42Å; I297-R300 WeakPolarHBondContact O-CG 3.49Å; I297-R300 PolarHBondContact O-N 3Å; R300-I303 PolarHBondContact O-N 3.48Å; R300-L304 WeakPolarHBondContact O-CB 3.3Å; R300-L304 PolarHBondContact O-N 2.86Å; R300-F322 HydrophobicContact CB-CD1 4.16Å; R300-F322 HydrophobicContact CB-CE1 3.56Å; R300-F322 HydrophobicContact CB-CZ 4.07Å; R300-F322 HydrophobicContact CG-CD1 4.18Å; R300-F322 HydrophobicContact CG-CE1 3.61Å; R300-F322 HydrophobicContact CG-CE2 4.28Å; R300-F322 HydrophobicContact CG-CZ 3.66Å
301E98.3Very high97.5Very high85 Ų8552.7 Ų52.740%0.39727%0.274SS..Hα-helixtrans-68.7-39.6175.6-67.2-5314100111.3I297 A299 L304 K305 F322I297-E301 HydrophobicContact CG2-CG 4.33Å; I297-E301 WeakPolarHBondContact O-CB 3.48Å; I297-E301 VanDerWaalsContact O-CG 3.29Å; I297-E301 WeakPolarHBondContact O-CG 3.21Å; I297-E301 PolarHBondContact O-N 3.33Å; A299-E301 PolarHBondContact O-N 2.77Å; E301-L304 PolarHBondContact O-N 3.33Å; E301-K305 WeakPolarHBondContact O-CB 3.4Å; E301-K305 PolarHBondContact O-N 2.99Å; E301-F322 WeakPolarHBondContact OE1-CE2 3.39Å
302F98.6Very high97.3Very high34 Ų3456.6 Ų56.615%0.14930%0.297CS..Hα-helixtrans-60.3-46.1171.9170.1-93.2000111.9L282 F286 E288 Y289 A298 A299 K305 T306L282-F302 HydrophobicContact CD2-CD1 3.67Å; L282-F302 HydrophobicContact CD2-CE1 4.22Å; L282-F302 HydrophobicContact CD2-CG 4.42Å; F286-F302 HydrophobicContact CB-CE1 3.88Å; F286-F302 HydrophobicContact CB-CZ 4.15Å; F286-F302 HydrophobicContact CD1-CE1 4.45Å; F286-F302 HydrophobicContact CG-CE1 4.28Å; E288-F302 HydrophobicContact CB-CE2 4.34Å; E288-F302 HydrophobicContact CB-CZ 4.25Å; Y289-F302 HydrophobicContact CD2-CB 3.61Å; Y289-F302 AromaticContact CD2-CD1 3.91Å; Y289-F302 HydrophobicContact CD2-CD1 3.91Å; Y289-F302 AromaticContact CD2-CD2 3.75Å; Y289-F302 HydrophobicContact CD2-CD2 3.75Å; Y289-F302 HydrophobicContact CD2-CE2 4.36Å; Y289-F302 AromaticContact CD2-CG 3.48Å; Y289-F302 HydrophobicContact CD2-CG 3.48Å; Y289-F302 VanDerWaalsContact CD2-CG 3.48Å; Y289-F302 HydrophobicContact CE2-CB 3.83Å; Y289-F302 HydrophobicContact CE2-CG 4.22Å; Y289-F302 HydrophobicContact CG-CG 4.39Å; A298-F302 WeakPolarHBondContact O-CB 3.3Å; A298-F302 PolarHBondContact O-N 3.27Å; A299-F302 PolarHBondContact O-N 3.2Å; F302-K305 PolarHBondContact O-N 2.93Å; F302-T306 WeakPolarHBondContact O-CB 3.46Å; F302-T306 PolarHBondContact O-N 2.87Å; F302-T306 PolarHBondContact O-OG1 3.28Å
303I98.6Very high97.1Very high2 Ų256.8 Ų56.81%0.0129%0.294CS..Hα-helixtrans-63.5-45.7178.3-64.3161.9000109.9L226 M242 L267 L273 L282 A299 R300 K305 T306 F307L226-I303 HydrophobicContact CD2-CB 4.03Å; L226-I303 HydrophobicContact CD2-CD1 3.85Å; L226-I303 HydrophobicContact CD2-CG2 3.74Å; M242-I303 HydrophobicContact CE-CD1 3.88Å; M242-I303 HydrophobicContact CE-CG1 4.39Å; M242-I303 HydrophobicContact CE-CG2 4.17Å; M242-I303 HydrophobicContact SD-CD1 4.05Å; M242-I303 HydrophobicContact SD-CG1 3.96Å; M242-I303 HydrophobicContact SD-CG2 3.89Å; L267-I303 HydrophobicContact CD2-CG2 4.11Å; L273-I303 HydrophobicContact CD1-CD1 4.45Å; L273-I303 HydrophobicContact CD2-CD1 4.42Å; L282-I303 HydrophobicContact CD1-CD1 4.45Å; L282-I303 HydrophobicContact CD2-CD1 4.42Å; L282-I303 HydrophobicContact CD2-CG1 4.29Å; A299-I303 WeakPolarHBondContact O-CG1 3.42Å; A299-I303 PolarHBondContact O-N 2.95Å; R300-I303 PolarHBondContact O-N 3.48Å; I303-K305 VanDerWaalsContact C-N 3.34Å; I303-K305 PolarHBondContact O-N 3.38Å; I303-T306 WeakPolarHBondContact O-CB 3.26Å; I303-T306 PolarHBondContact O-N 2.91Å; I303-T306 VanDerWaalsContact O-N 3.16Å; I303-F307 HydrophobicContact CG2-CD2 3.97Å; I303-F307 HydrophobicContact CG2-CE2 3.95Å; I303-F307 WeakPolarHBondContact O-CD2 3.44Å; I303-F307 PolarHBondContact O-N 3.29Å; I303-F307 VanDerWaalsContact O-N 3.07Å
304L98.6Very high96.7Very high22 Ų2257.5 Ų57.512%0.11531%0.307CS..Hα-helixtrans-53.3-52.1174.4167.759.6000111.4L265 L267 R300 E301 T306 F307 V308 S320 F322L265-L304 HydrophobicContact CD2-CD1 4.13Å; L267-L304 HydrophobicContact CD1-CB 4.39Å; L267-L304 HydrophobicContact CD1-CD1 3.73Å; L267-L304 HydrophobicContact CD2-CB 3.97Å; R300-L304 WeakPolarHBondContact O-CB 3.3Å; R300-L304 PolarHBondContact O-N 2.86Å; E301-L304 PolarHBondContact O-N 3.33Å; L304-T306 VanDerWaalsContact C-N 3.29Å; L304-T306 PolarHBondContact O-N 3.06Å; L304-F307 PolarHBondContact O-N 2.87Å; L304-F307 VanDerWaalsContact O-N 3.14Å; L304-V308 HydrophobicContact CD1-CG2 3.69Å; L304-V308 HydrophobicContact CG-CG2 4.38Å; L304-V308 WeakPolarHBondContact O-CG2 3.46Å; L304-V308 PolarHBondContact O-N 3.36Å; L304-S320 WeakPolarHBondContact CD1-OG 3.2Å; L304-F322 HydrophobicContact CB-CE1 4.38Å; L304-F322 HydrophobicContact CB-CZ 3.96Å; L304-F322 HydrophobicContact CD2-CE2 4.17Å; L304-F322 HydrophobicContact CD2-CZ 3.89Å
305K98.1Very high96.3Very high120 Ų12056.7 Ų56.752%0.52232%0.315SS..Hα-helixtrans-56.7-45.3177.9176.8167.5174.747.40111.5E301 F302 I303 F307 V308 D309E301-K305 WeakPolarHBondContact O-CB 3.4Å; E301-K305 PolarHBondContact O-N 2.99Å; F302-K305 PolarHBondContact O-N 2.93Å; I303-K305 VanDerWaalsContact C-N 3.34Å; I303-K305 PolarHBondContact O-N 3.38Å; K305-F307 VanDerWaalsContact C-N 3.25Å; K305-F307 PolarHBondContact O-N 2.9Å; K305-V308 PolarHBondContact O-N 3.28Å; K305-D309 WeakPolarHBondContact CE-OD2 3.29Å; K305-D309 WeakPolarHBondContact CG-OD2 3.16Å; K305-D309 VanDerWaalsContact NZ-CG 3.31Å; K305-D309 IonicContact NZ-OD1 2.7Å; K305-D309 PolarHBondContact NZ-OD1 2.71Å; K305-D309 VanDerWaalsContact NZ-OD1 3.09Å; K305-D309 IonicContact NZ-OD2 3.75Å; K305-D309 PolarHBondContact NZ-OD2 3.14Å; K305-D309 WeakPolarHBondContact O-CB 3.12Å; K305-D309 PolarHBondContact O-N 3.46Å
306T98Very high95.9Very high26 Ų2655.5 Ų55.516%0.1631%0.307CS..Hα-helixtrans-57.5-38.1178.8-60.70000112.1K246 F302 I303 L304 L310K246-T306 HydrophobicContact CD-CG2 3.69Å; K246-T306 HydrophobicContact CG-CG2 4.36Å; F302-T306 WeakPolarHBondContact O-CB 3.46Å; F302-T306 PolarHBondContact O-N 2.87Å; F302-T306 PolarHBondContact O-OG1 3.28Å; I303-T306 WeakPolarHBondContact O-CB 3.26Å; I303-T306 PolarHBondContact O-N 2.91Å; I303-T306 VanDerWaalsContact O-N 3.16Å; L304-T306 VanDerWaalsContact C-N 3.29Å; L304-T306 PolarHBondContact O-N 3.06Å; T306-L310 WeakPolarHBondContact O-CG 3.39Å
307F98.3Very high95.5Very high1 Ų158.9 Ų58.90%0.00432%0.323CS..Hα-helixtrans-76.6-41.9176-84.7-98.1000112.7F222 V224 M242 K246 F249 L265 I303 L304 K305 D309 L310F222-F307 HydrophobicContact CE1-CE1 4.38Å; V224-F307 HydrophobicContact CB-CE1 4.48Å; V224-F307 HydrophobicContact CB-CZ 4.26Å; V224-F307 HydrophobicContact CG1-CE1 4.25Å; V224-F307 HydrophobicContact CG1-CE2 3.73Å; V224-F307 HydrophobicContact CG1-CZ 3.56Å; V224-F307 HydrophobicContact CG2-CD1 3.83Å; V224-F307 HydrophobicContact CG2-CE1 3.38Å; V224-F307 HydrophobicContact CG2-CE2 4.21Å; V224-F307 HydrophobicContact CG2-CG 4.43Å; V224-F307 HydrophobicContact CG2-CZ 3.6Å; M242-F307 HydrophobicContact CG-CE2 4.34Å; K246-F307 HydrophobicContact CB-CZ 4.36Å; K246-F307 HydrophobicContact CG-CD2 4.25Å; K246-F307 HydrophobicContact CG-CE1 4.13Å; K246-F307 HydrophobicContact CG-CE2 3.66Å; K246-F307 HydrophobicContact CG-CZ 3.58Å; F249-F307 HydrophobicContact CB-CD1 3.85Å; F249-F307 HydrophobicContact CB-CE1 3.81Å; F249-F307 HydrophobicContact CD1-CB 4.38Å; F249-F307 AromaticContact CD1-CD1 3.62Å; F249-F307 HydrophobicContact CD1-CD1 3.62Å; F249-F307 HydrophobicContact CD1-CE1 4.44Å; F249-F307 HydrophobicContact CD1-CG 4.46Å; F249-F307 HydrophobicContact CE1-CB 4.34Å; F249-F307 HydrophobicContact CE1-CD1 4.27Å; F249-F307 VanDerWaalsContact CE1-O 3.31Å; F249-F307 WeakPolarHBondContact CE1-O 3.36Å; F249-F307 AromaticContact CG-CD1 3.75Å; F249-F307 HydrophobicContact CG-CD1 3.75Å; F249-F307 HydrophobicContact CG-CE1 4.2Å; L265-F307 HydrophobicContact CD1-CD1 4.24Å; L265-F307 HydrophobicContact CD2-CB 3.66Å; L265-F307 HydrophobicContact CD2-CG 4.37Å; I303-F307 HydrophobicContact CG2-CD2 3.97Å; I303-F307 HydrophobicContact CG2-CE2 3.95Å; I303-F307 WeakPolarHBondContact O-CD2 3.44Å; I303-F307 PolarHBondContact O-N 3.29Å; I303-F307 VanDerWaalsContact O-N 3.07Å; L304-F307 PolarHBondContact O-N 2.87Å; L304-F307 VanDerWaalsContact O-N 3.14Å; K305-F307 VanDerWaalsContact C-N 3.25Å; K305-F307 PolarHBondContact O-N 2.9Å; F307-D309 VanDerWaalsContact C-N 3.32Å; F307-D309 PolarHBondContact O-N 3.27Å; F307-L310 WeakPolarHBondContact O-CB 3.2Å; F307-L310 PolarHBondContact O-N 3.04Å
308V97.4Very high95.4Very high54 Ų5455.3 Ų55.333%0.32731%0.305SS..Hα-helixtrans-62.8-40.5178.7171.60000111.2L304 K305 L310 N311L304-V308 HydrophobicContact CD1-CG2 3.69Å; L304-V308 HydrophobicContact CG-CG2 4.38Å; L304-V308 WeakPolarHBondContact O-CG2 3.46Å; L304-V308 PolarHBondContact O-N 3.36Å; K305-V308 PolarHBondContact O-N 3.28Å; V308-L310 PolarHBondContact O-N 3.47Å; V308-L310 VanDerWaalsContact O-N 3.16Å; V308-N311 VanDerWaalsContact O-CB 3.23Å; V308-N311 WeakPolarHBondContact O-CB 3.16Å; V308-N311 PolarHBondContact O-N 2.95Å; V308-N311 VanDerWaalsContact O-N 3.07Å
309D96.6Very high95.3Very high100 Ų10057.5 Ų57.554%0.53531%0.308SS..THydrogen-bonded Turntrans-67.2-12.5178.8-69.9-11.2000113.2K305 F307 N311K305-D309 WeakPolarHBondContact CE-OD2 3.29Å; K305-D309 WeakPolarHBondContact CG-OD2 3.16Å; K305-D309 VanDerWaalsContact NZ-CG 3.31Å; K305-D309 IonicContact NZ-OD1 2.7Å; K305-D309 PolarHBondContact NZ-OD1 2.71Å; K305-D309 VanDerWaalsContact NZ-OD1 3.09Å; K305-D309 IonicContact NZ-OD2 3.75Å; K305-D309 PolarHBondContact NZ-OD2 3.14Å; K305-D309 WeakPolarHBondContact O-CB 3.12Å; K305-D309 PolarHBondContact O-N 3.46Å; F307-D309 VanDerWaalsContact C-N 3.32Å; F307-D309 PolarHBondContact O-N 3.27Å; D309-N311 PolarHBondContact O-N 3.33Å
310L96.8Very high95.2Very high38 Ų3859.6 Ų59.620%0.19932%0.323CS..THydrogen-bonded Turntrans-73.8-14.4172.3-65.7170.8000113K246 F249 R250 I253 T306 F307 V308 P312K246-L310 HydrophobicContact CB-CD1 3.93Å; K246-L310 HydrophobicContact CG-CD1 4.24Å; K246-L310 WeakPolarHBondContact O-CD1 3.14Å; F249-L310 HydrophobicContact CD1-CB 4.4Å; F249-L310 HydrophobicContact CD1-CD1 4.07Å; R250-L310 HydrophobicContact CB-CB 4.44Å; R250-L310 HydrophobicContact CB-CD1 4.46Å; I253-L310 HydrophobicContact CD1-CB 4.4Å; T306-L310 WeakPolarHBondContact O-CG 3.39Å; F307-L310 WeakPolarHBondContact O-CB 3.2Å; F307-L310 PolarHBondContact O-N 3.04Å; V308-L310 PolarHBondContact O-N 3.47Å; V308-L310 VanDerWaalsContact O-N 3.16Å; L310-P312 VanDerWaalsContact O-CD 3.25Å; L310-P312 WeakPolarHBondContact O-CD 3.34Å
311N95Very high95.2Very high33 Ų3358.8 Ų58.818%0.17632%0.321CS..  trans-75113.4-178.3-173.719.1000111.4I253 V308 D309 D313 K316 I318I253-N311 HydrophobicContact CD1-CB 4.18Å; V308-N311 VanDerWaalsContact O-CB 3.23Å; V308-N311 WeakPolarHBondContact O-CB 3.16Å; V308-N311 PolarHBondContact O-N 2.95Å; V308-N311 VanDerWaalsContact O-N 3.07Å; D309-N311 PolarHBondContact O-N 3.33Å; N311-D313 VanDerWaalsContact C-N 3.27Å; N311-D313 PolarHBondContact ND2-O 3.39Å; N311-D313 PolarHBondContact O-N 2.86Å; N311-D313 PolarHBondContact OD1-N 2.95Å; N311-D313 PolarHBondContact OD1-O 3Å; N311-K316 PolarHBondContact ND2-O 2.86Å; N311-I318 HydrophobicContact CB-CD1 3.61Å
312P92.3Very high95.2Very high102 Ų10256.8 Ų56.866%0.66231%0.311SS*.  trans-78.1-14.817833.4-34.9000112.9T254 L310T254-P312 HydrophobicContact CG2-CG 3.72Å; L310-P312 VanDerWaalsContact O-CD 3.25Å; L310-P312 WeakPolarHBondContact O-CD 3.34Å
313D91.8Very high95.2Very high70 Ų7055.2 Ų55.237%0.37431%0.305SS..  trans-103.6102.2-175.9-177.1-5.5000110.4N311 D315 K316N311-D313 VanDerWaalsContact C-N 3.27Å; N311-D313 PolarHBondContact ND2-O 3.39Å; N311-D313 PolarHBondContact O-N 2.86Å; N311-D313 PolarHBondContact OD1-N 2.95Å; N311-D313 PolarHBondContact OD1-O 3Å; D313-D315 PolarHBondContact O-N 3.19Å; D313-D315 PolarHBondContact OD1-N 3.39Å; D313-K316 HydrophobicContact CB-CB 3.88Å; D313-K316 PolarHBondContact O-N 3.49Å; D313-K316 VanDerWaalsContact O-N 3.15Å; D313-K316 PolarHBondContact OD1-N 3.05Å
314A86.4Confident95.2Very high101 Ų10155.6 Ų55.684%0.83531%0.308SS*.THydrogen-bonded Turntrans-64.5-22.6-178.900000113.6
315D88Confident95.2Very high149 Ų14954.8 Ų54.880%0.79730%0.304SS*.THydrogen-bonded Turntrans-83.3-21.3178.5-66.2-33.5000111.5D313 I317D313-D315 PolarHBondContact O-N 3.19Å; D313-D315 PolarHBondContact OD1-N 3.39Å; D315-I317 PolarHBondContact O-N 2.83Å
316K89.6Confident95.1Very high28 Ų2850.5 Ų50.512%0.12229%0.288CS..SBendtrans-82100.3178.3-169.7166.1-171.5164.40111.3F258 S261 V263 N311 D313 I318F258-K316 PolarHBondContact O-NZ 3.13Å; S261-K316 WeakPolarHBondContact O-CE 3.31Å; V263-K316 VanDerWaalsContact CG2-CE 3.47Å; N311-K316 PolarHBondContact ND2-O 2.86Å; D313-K316 HydrophobicContact CB-CB 3.88Å; D313-K316 PolarHBondContact O-N 3.49Å; D313-K316 VanDerWaalsContact O-N 3.15Å; D313-K316 PolarHBondContact OD1-N 3.05Å; K316-I318 PolarHBondContact O-N 3.4Å
317I91.1Very high95.1Very high101 Ų10152.6 Ų52.652%0.51830%0.298SS..  trans-70.4128.1178.1-57.8173.9000110.6D315 Y319D315-I317 PolarHBondContact O-N 2.83Å; I317-Y319 HydrophobicContact CB-CE2 4.13Å; I317-Y319 HydrophobicContact CG2-CD1 4.19Å; I317-Y319 HydrophobicContact CG2-CD2 4.26Å; I317-Y319 HydrophobicContact CG2-CE1 3.84Å; I317-Y319 HydrophobicContact CG2-CE2 3.9Å; I317-Y319 HydrophobicContact CG2-CG 4.39Å
318I95.3Very high95.1Very high20 Ų2054 Ų5410%0.10331%0.307CS..EExtended strand (participates in β ladder)trans-97.7116169-64.2168.3000108.5F249 V263 L265 N311 K316F249-I318 HydrophobicContact CE1-CD1 4.04Å; F249-I318 HydrophobicContact CZ-CD1 3.85Å; F249-I318 HydrophobicContact CZ-CG2 4.4Å; V263-I318 HydrophobicContact CB-CG1 4.42Å; V263-I318 HydrophobicContact CG1-CG1 4.23Å; V263-I318 HydrophobicContact CG1-CG2 4.38Å; L265-I318 HydrophobicContact CB-CG2 3.67Å; L265-I318 HydrophobicContact CD2-CG2 4.27Å; N311-I318 HydrophobicContact CB-CD1 3.61Å; K316-I318 PolarHBondContact O-N 3.4Å
319Y95.6Very high95.2Very high69 Ų6956.8 Ų56.827%0.27132%0.316SS..EExtended strand (participates in β ladder)trans-88.3111.4177.6-60.4-87.5000109.8V263 I264 L265 I317 T341V263-Y319 PolarHBondContact O-N 3.46Å; I264-Y319 CarbonylContact C-O 3.56Å; I264-Y319 VanDerWaalsContact CA-O 3.26Å; I264-Y319 WeakPolarHBondContact CA-O 3.34Å; L265-Y319 PolarHBondContact N-O 3.5Å; I317-Y319 HydrophobicContact CB-CE2 4.13Å; I317-Y319 HydrophobicContact CG2-CD1 4.19Å; I317-Y319 HydrophobicContact CG2-CD2 4.26Å; I317-Y319 HydrophobicContact CG2-CE1 3.84Å; I317-Y319 HydrophobicContact CG2-CE2 3.9Å; I317-Y319 HydrophobicContact CG2-CG 4.39Å; Y319-T341 HydrophobicContact CD1-CG2 3.6Å; Y319-T341 HydrophobicContact CD2-CG2 3.57Å; Y319-T341 HydrophobicContact CE1-CG2 3.53Å; Y319-T341 HydrophobicContact CE2-CG2 3.52Å; Y319-T341 HydrophobicContact CG-CG2 3.61Å; Y319-T341 VanDerWaalsContact CZ-CG2 3.49Å
320S97.6Very high95.2Very high44 Ų4453 Ų5331%0.30830%0.296SS..EExtended strand (participates in β ladder)trans-103.4143.2-175.258.70000113.3L265 L304L265-S320 CarbonylContact O-C 3.46Å; L265-S320 VanDerWaalsContact O-CA 3.29Å; L265-S320 WeakPolarHBondContact O-CA 3.41Å; L304-S320 WeakPolarHBondContact CD1-OG 3.2Å
321H98.3Very high95.3Very high36 Ų3651.2 Ų51.217%0.16729%0.287CS..EExtended strand (participates in β ladder)trans-140.4133.1172.5-57.4-89.2000111.4L265 F266 L267 T323 V334 V338L265-H321 PolarHBondContact O-N 3.32Å; F266-H321 HydrophobicContact CD1-CB 4.04Å; F266-H321 HydrophobicContact CE1-CB 4.23Å; L267-H321 PolarHBondContact N-O 3.43Å; H321-T323 HydrophobicContact CB-CG2 4.43Å; H321-V334 HydrophobicContact CB-CG1 3.69Å; H321-V334 HydrophobicContact CB-CG2 4.2Å; H321-V338 WeakPolarHBondContact NE2-CG2 3.42Å
322F98.4Very high95.4Very high42 Ų4254.6 Ų54.618%0.18430%0.297CS..EExtended strand (participates in β ladder)trans-79.1125168.1-63.6-70.1000110.4L226 L267 K270 R300 E301 L304L226-F322 HydrophobicContact CD1-CD1 4.06Å; L226-F322 HydrophobicContact CD1-CE1 4.49Å; L267-F322 HydrophobicContact CB-CD1 3.57Å; L267-F322 HydrophobicContact CB-CE1 3.85Å; L267-F322 HydrophobicContact CD1-CD1 4.32Å; L267-F322 HydrophobicContact CD1-CE1 4.11Å; L267-F322 HydrophobicContact CD2-CE1 4.02Å; L267-F322 HydrophobicContact CG-CD1 4.36Å; L267-F322 HydrophobicContact CG-CE1 4.2Å; L267-F322 CarbonylContact O-C 3.56Å; L267-F322 WeakPolarHBondContact O-CA 3.3Å; K270-F322 HydrophobicContact CD-CB 4.3Å; R300-F322 HydrophobicContact CB-CD1 4.16Å; R300-F322 HydrophobicContact CB-CE1 3.56Å; R300-F322 HydrophobicContact CB-CZ 4.07Å; R300-F322 HydrophobicContact CG-CD1 4.18Å; R300-F322 HydrophobicContact CG-CE1 3.61Å; R300-F322 HydrophobicContact CG-CE2 4.28Å; R300-F322 HydrophobicContact CG-CZ 3.66Å; E301-F322 WeakPolarHBondContact OE1-CE2 3.39Å; L304-F322 HydrophobicContact CB-CE1 4.38Å; L304-F322 HydrophobicContact CB-CZ 3.96Å; L304-F322 HydrophobicContact CD2-CE2 4.17Å; L304-F322 HydrophobicContact CD2-CZ 3.89Å
323T98.4Very high95.6Very high2 Ų256.9 Ų56.91%0.01230%0.297CS..  trans-127151.5-172.4510000112.7F266 L267 N268 K269 K270 H321 N330 I331 V334F266-T323 HydrophobicContact CD1-CG2 4.01Å; F266-T323 HydrophobicContact CG-CG2 4.4Å; L267-T323 PolarHBondContact O-N 2.73Å; N268-T323 CarbonylContact C-O 3.55Å; N268-T323 WeakPolarHBondContact CA-O 3.44Å; N268-T323 WeakPolarHBondContact CA-OG1 3.05Å; N268-T323 WeakPolarHBondContact CB-OG1 3.37Å; N268-T323 PolarHBondContact OD1-O 2.92Å; N268-T323 PolarHBondContact OD1-OG1 2.92Å; K269-T323 PolarHBondContact N-O 3.45Å; K269-T323 VanDerWaalsContact N-O 3.1Å; K270-T323 PolarHBondContact N-O 3.23Å; H321-T323 HydrophobicContact CB-CG2 4.43Å; T323-N330 VanDerWaalsContact CA-OD1 3.23Å; T323-N330 WeakPolarHBondContact CA-OD1 3.49Å; T323-I331 HydrophobicContact CG2-CD1 4.01Å; T323-V334 HydrophobicContact CG2-CB 4.26Å; T323-V334 HydrophobicContact CG2-CG1 3.83Å; T323-V334 HydrophobicContact CG2-CG2 4.01Å
324C98.2Very high95.8Very high10 Ų1053.8 Ų53.87%0.06828%0.28CS..  trans-122.1103.5155.7174.10000106.7K270 D271 T326 D327 N330K270-C324 HydrophobicContact CG-CB 4.4Å; D271-C324 PolarHBondContact OD1-SG 3.2Å; D271-C324 VanDerWaalsContact OD1-SG 3.41Å; C324-T326 PolarHBondContact O-N 2.77Å; C324-T326 PolarHBondContact SG-OG1 2.68Å; C324-T326 VanDerWaalsContact SG-OG1 3.35Å; C324-D327 HydrophobicContact CB-CB 4Å; C324-D327 PolarHBondContact O-N 3.17Å; C324-N330 PolarHBondContact N-OD1 3.21Å
325A97.7Very high96.2Very high5 Ų549 Ų494%0.04124%0.241CC..THydrogen-bonded Turntrans-61.1-16-176.900000113.9T48 Q52 N268T48-A325 HydrophobicContact CG2-CB 3.67Å; T48-A325 WeakPolarHBondContact CG2-O 3.39Å; Q52-A325 VanDerWaalsContact CG-O 3.24Å; Q52-A325 WeakPolarHBondContact CG-O 3.07Å; Q52-A325 PolarHBondContact NE2-O 3.29Å; N268-A325 WeakPolarHBondContact OD1-CB 3.46Å; N268-A325 PolarHBondContact OD1-N 3.14Å
326T97.4Very high96.4Very high30 Ų3043.9 Ų43.918%0.18422%0.219CC..THydrogen-bonded Turntrans-92.5-1.7175.174.60000114.3T48 Q171 R175 C324T48-T326 HydrophobicContact CG2-CG2 4.4Å; Q171-T326 PolarHBondContact OE1-O 3.09Å; R175-T326 HydrophobicContact CG-CG2 4.31Å; R175-T326 VanDerWaalsContact NH1-CB 3.28Å; R175-T326 PolarHBondContact NH2-OG1 2.87Å; C324-T326 PolarHBondContact O-N 2.77Å; C324-T326 PolarHBondContact SG-OG1 2.68Å; C324-T326 VanDerWaalsContact SG-OG1 3.35Å
327D98.1Very high96.6Very high70 Ų7044 Ų4437%0.37423%0.225SC..  trans-101.3104.1172.8177-11.6000108.9C324 E329 N330 I331C324-D327 HydrophobicContact CB-CB 4Å; C324-D327 PolarHBondContact O-N 3.17Å; D327-E329 VanDerWaalsContact C-N 3.29Å; D327-E329 PolarHBondContact O-N 2.89Å; D327-E329 PolarHBondContact OD1-N 3.05Å; D327-N330 HydrophobicContact CB-CB 3.82Å; D327-N330 VanDerWaalsContact CG-CB 3.45Å; D327-N330 PolarHBondContact O-N 2.85Å; D327-N330 PolarHBondContact OD1-N 2.89Å; D327-N330 WeakPolarHBondContact OD2-CB 3.47Å; D327-I331 WeakPolarHBondContact O-CG1 3.27Å; D327-I331 PolarHBondContact O-N 3.13Å
328T98.1Very high96.7Very high30 Ų3039.2 Ų39.218%0.18420%0.2CC..Hα-helixtrans-61.1-35.7-176.3-53.30000112.5Q52 I55 I56 I331 R332Q52-T328 PolarHBondContact NE2-OG1 3.18Å; Q52-T328 PolarHBondContact OE1-OG1 2.95Å; I55-T328 HydrophobicContact CG2-CG2 4.38Å; I56-T328 HydrophobicContact CD1-CG2 4.06Å; I56-T328 HydrophobicContact CG1-CG2 3.83Å; T328-I331 PolarHBondContact O-N 3.29Å; T328-R332 WeakPolarHBondContact O-CB 3.26Å; T328-R332 PolarHBondContact O-N 3.02Å
329E97.9Very high96.5Very high112 Ų11240.6 Ų40.652%0.52320%0.204SC..Hα-helixtrans-76-38.2-179.6-68.4-53.6116.700111.5D327 I331 R332 F333D327-E329 VanDerWaalsContact C-N 3.29Å; D327-E329 PolarHBondContact O-N 2.89Å; D327-E329 PolarHBondContact OD1-N 3.05Å; E329-I331 VanDerWaalsContact C-N 3.32Å; E329-I331 PolarHBondContact O-N 2.94Å; E329-R332 PolarHBondContact O-N 2.89Å; E329-R332 IonicContact OE1-CZ 2.75Å; E329-R332 IonicContact OE1-NE 3.74Å; E329-R332 PolarHBondContact OE1-NE 2.86Å; E329-R332 IonicContact OE1-NH2 2.68Å; E329-R332 PolarHBondContact OE1-NH2 3.23Å; E329-R332 IonicContact OE2-NE 3.62Å; E329-R332 PolarHBondContact OE2-NE 2.68Å; E329-F333 PolarHBondContact O-N 2.87Å
330N97.9Very high96.1Very high22 Ų2240.5 Ų40.512%0.11821%0.209CC..Hα-helixtrans-57.9-45.8170.3175.8-110.4000111.6T323 C324 D327 F333 V334T323-N330 VanDerWaalsContact CA-OD1 3.23Å; T323-N330 WeakPolarHBondContact CA-OD1 3.49Å; C324-N330 PolarHBondContact N-OD1 3.21Å; D327-N330 HydrophobicContact CB-CB 3.82Å; D327-N330 VanDerWaalsContact CG-CB 3.45Å; D327-N330 PolarHBondContact O-N 2.85Å; D327-N330 PolarHBondContact OD1-N 2.89Å; D327-N330 WeakPolarHBondContact OD2-CB 3.47Å; N330-F333 PolarHBondContact O-N 3.31Å; N330-V334 WeakPolarHBondContact O-CB 3.35Å; N330-V334 VanDerWaalsContact O-CG2 3.31Å; N330-V334 WeakPolarHBondContact O-CG2 3.43Å; N330-V334 PolarHBondContact O-N 3.09Å
331I98Very high95.6Very high0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-69.7-37179.8-63.9-52.2000112.2F49 Q52 M53 I56 T323 D327 T328 E329 F333 V334 F335F49-I331 HydrophobicContact CD2-CD1 3.9Å; F49-I331 HydrophobicContact CD2-CG2 4.07Å; F49-I331 HydrophobicContact CE2-CD1 3.95Å; F49-I331 HydrophobicContact CE2-CG2 3.8Å; F49-I331 HydrophobicContact CZ-CG2 4.42Å; Q52-I331 HydrophobicContact CB-CB 4.35Å; Q52-I331 HydrophobicContact CB-CG2 3.7Å; Q52-I331 HydrophobicContact CG-CB 4.29Å; Q52-I331 HydrophobicContact CG-CG1 4.15Å; Q52-I331 HydrophobicContact CG-CG2 4.13Å; M53-I331 HydrophobicContact CE-CG2 3.48Å; M53-I331 VanDerWaalsContact CE-CG2 3.48Å; I56-I331 HydrophobicContact CD1-CB 4.23Å; I56-I331 HydrophobicContact CD1-CG2 3.9Å; T323-I331 HydrophobicContact CG2-CD1 4.01Å; D327-I331 WeakPolarHBondContact O-CG1 3.27Å; D327-I331 PolarHBondContact O-N 3.13Å; T328-I331 PolarHBondContact O-N 3.29Å; E329-I331 VanDerWaalsContact C-N 3.32Å; E329-I331 PolarHBondContact O-N 2.94Å; I331-F333 VanDerWaalsContact C-N 3.35Å; I331-F333 PolarHBondContact O-N 3.2Å; I331-V334 PolarHBondContact O-N 3.47Å; I331-F335 VanDerWaalsContact O-CB 3.3Å; I331-F335 WeakPolarHBondContact O-CB 3.41Å; I331-F335 PolarHBondContact O-N 2.93Å
332R97Very high95.2Very high103 Ų10337.8 Ų37.839%0.38919%0.193SC..Hα-helixtrans-57.7-47.6173.8-169-169.2-52.4-74.3-3.7111.4I56 T328 E329 A336I56-R332 HydrophobicContact CD1-CB 4.17Å; I56-R332 HydrophobicContact CG2-CG 4.2Å; T328-R332 WeakPolarHBondContact O-CB 3.26Å; T328-R332 PolarHBondContact O-N 3.02Å; E329-R332 PolarHBondContact O-N 2.89Å; E329-R332 IonicContact OE1-CZ 2.75Å; E329-R332 IonicContact OE1-NE 3.74Å; E329-R332 PolarHBondContact OE1-NE 2.86Å; E329-R332 IonicContact OE1-NH2 2.68Å; E329-R332 PolarHBondContact OE1-NH2 3.23Å; E329-R332 IonicContact OE2-NE 3.62Å; E329-R332 PolarHBondContact OE2-NE 2.68Å; R332-A336 WeakPolarHBondContact O-CB 3.39Å; R332-A336 PolarHBondContact O-N 2.8Å; R332-A336 VanDerWaalsContact O-N 3.15Å
333F96.5Very high94.6Very high151 Ų15137.7 Ų37.766%0.66219%0.194SC*.Hα-helixtrans-65.6-47.6178.5177.7-96.1000112.2E329 N330 I331 F335 A336 A337E329-F333 PolarHBondContact O-N 2.87Å; N330-F333 PolarHBondContact O-N 3.31Å; I331-F333 VanDerWaalsContact C-N 3.35Å; I331-F333 PolarHBondContact O-N 3.2Å; F333-F335 PolarHBondContact O-N 3.19Å; F333-A336 PolarHBondContact O-N 2.75Å; F333-A337 PolarHBondContact O-N 3.45Å; F333-A337 VanDerWaalsContact O-N 3.17Å
334V95.6Very high93.7Very high5 Ų543.3 Ų43.33%0.0322%0.22CC..Hα-helixtrans-64-43-178.7168.30000111.1F266 H321 T323 N330 I331 A336 A337 V338F266-V334 HydrophobicContact CD1-CG1 4.13Å; F266-V334 HydrophobicContact CE1-CG1 3.44Å; F266-V334 VanDerWaalsContact CE1-CG1 3.44Å; F266-V334 HydrophobicContact CZ-CG1 4.13Å; H321-V334 HydrophobicContact CB-CG1 3.69Å; H321-V334 HydrophobicContact CB-CG2 4.2Å; T323-V334 HydrophobicContact CG2-CB 4.26Å; T323-V334 HydrophobicContact CG2-CG1 3.83Å; T323-V334 HydrophobicContact CG2-CG2 4.01Å; N330-V334 WeakPolarHBondContact O-CB 3.35Å; N330-V334 VanDerWaalsContact O-CG2 3.31Å; N330-V334 WeakPolarHBondContact O-CG2 3.43Å; N330-V334 PolarHBondContact O-N 3.09Å; I331-V334 PolarHBondContact O-N 3.47Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 2.7Å; V334-A337 PolarHBondContact O-N 3.19Å; V334-V338 HydrophobicContact CG1-CG2 4.24Å; V334-V338 WeakPolarHBondContact O-CB 3.34Å; V334-V338 VanDerWaalsContact O-CG2 3.28Å; V334-V338 WeakPolarHBondContact O-CG2 3.31Å; V334-V338 PolarHBondContact O-N 3.34Å
335F95.2Very high92.8Very high1 Ų146 Ų460%0.00423%0.232CC..Hα-helixtrans-67.4-35179.6-171.8-102.2000112.4L36 F49 M53 H57 F188 L190 F195 M221 I331 F333 V338 R339L36-F335 HydrophobicContact CD1-CE2 4.25Å; F49-F335 HydrophobicContact CE1-CD2 4.12Å; F49-F335 HydrophobicContact CZ-CB 4.43Å; F49-F335 AromaticContact CZ-CD2 3.89Å; F49-F335 HydrophobicContact CZ-CD2 3.89Å; M53-F335 HydrophobicContact CE-CB 3.94Å; M53-F335 HydrophobicContact CE-CD1 4.41Å; M53-F335 HydrophobicContact CE-CD2 4.27Å; M53-F335 HydrophobicContact CE-CG 3.93Å; M53-F335 HydrophobicContact SD-CB 4.27Å; M53-F335 HydrophobicContact SD-CD1 3.75Å; M53-F335 HydrophobicContact SD-CD2 3.65Å; M53-F335 HydrophobicContact SD-CE1 3.99Å; M53-F335 HydrophobicContact SD-CE2 3.89Å; M53-F335 HydrophobicContact SD-CG 3.58Å; M53-F335 VanDerWaalsContact SD-CG 3.58Å; M53-F335 HydrophobicContact SD-CZ 4.08Å; H57-F335 AromaticContact CD2-CD1 3.86Å; H57-F335 AromaticContact CD2-CE1 3.9Å; H57-F335 AromaticContact NE2-CD1 3.25Å; H57-F335 VanDerWaalsContact NE2-CD1 3.25Å; H57-F335 WeakPolarHBondContact NE2-CD1 3.35Å; H57-F335 AromaticContact NE2-CE1 3.61Å; F188-F335 AromaticContact CE2-CE1 3.99Å; F188-F335 HydrophobicContact CE2-CE1 3.99Å; F188-F335 HydrophobicContact CE2-CZ 4.04Å; F188-F335 AromaticContact CZ-CE1 3.88Å; F188-F335 HydrophobicContact CZ-CE1 3.88Å; F188-F335 HydrophobicContact CZ-CE2 4.31Å; F188-F335 AromaticContact CZ-CZ 3.51Å; F188-F335 HydrophobicContact CZ-CZ 3.51Å; L190-F335 HydrophobicContact CD2-CE1 4.36Å; F195-F335 HydrophobicContact CD1-CZ 4.31Å; F195-F335 HydrophobicContact CE1-CZ 4.46Å; F195-F335 HydrophobicContact CG-CZ 4.49Å; M221-F335 HydrophobicContact CE-CD2 4.47Å; M221-F335 HydrophobicContact CE-CE2 4.15Å; I331-F335 VanDerWaalsContact O-CB 3.3Å; I331-F335 WeakPolarHBondContact O-CB 3.41Å; I331-F335 PolarHBondContact O-N 2.93Å; F333-F335 PolarHBondContact O-N 3.19Å; F335-V338 PolarHBondContact O-N 3.36Å; F335-R339 VanDerWaalsContact O-CB 3.28Å; F335-R339 WeakPolarHBondContact O-CB 3.4Å; F335-R339 PolarHBondContact O-N 3.21Å
336A93.6Very high91.8Very high41 Ų4146.5 Ų46.534%0.33923%0.234SC..Hα-helixtrans-60-45.3172.600000112R332 F333 V334 R339 D340R332-A336 WeakPolarHBondContact O-CB 3.39Å; R332-A336 PolarHBondContact O-N 2.8Å; R332-A336 VanDerWaalsContact O-N 3.15Å; F333-A336 PolarHBondContact O-N 2.75Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 2.7Å; A336-R339 WeakPolarHBondContact O-CB 3.46Å; A336-R339 PolarHBondContact O-N 2.94Å; A336-D340 PolarHBondContact O-N 2.95Å
337A92.9Very high90.6Very high30 Ų3048.7 Ų48.725%0.24824%0.244CC..Hα-helixtrans-63.5-44.3176.200000112.1F333 V334 R339 D340 T341F333-A337 PolarHBondContact O-N 3.45Å; F333-A337 VanDerWaalsContact O-N 3.17Å; V334-A337 PolarHBondContact O-N 3.19Å; A337-R339 PolarHBondContact O-N 3.34Å; A337-D340 PolarHBondContact O-N 3.23Å; A337-T341 PolarHBondContact O-N 3.25Å; A337-T341 VanDerWaalsContact O-N 3.13Å; A337-T341 PolarHBondContact O-OG1 3.33Å
338V92.6Very high89.2Confident0 Ų052.1 Ų52.10%026%0.255CS..Hα-helixtrans-62.4-43.8178.41650000111.9M221 I264 F266 H321 V334 F335 D340 T341 I342M221-V338 HydrophobicContact CE-CG1 3.5Å; M221-V338 VanDerWaalsContact CE-CG1 3.5Å; I264-V338 HydrophobicContact CD1-CG1 3.47Å; I264-V338 VanDerWaalsContact CD1-CG1 3.47Å; I264-V338 HydrophobicContact CG1-CG1 4.3Å; I264-V338 HydrophobicContact CG2-CG2 3.88Å; F266-V338 HydrophobicContact CE1-CG2 3.76Å; F266-V338 HydrophobicContact CZ-CG2 3.88Å; H321-V338 WeakPolarHBondContact NE2-CG2 3.42Å; V334-V338 HydrophobicContact CG1-CG2 4.24Å; V334-V338 WeakPolarHBondContact O-CB 3.34Å; V334-V338 VanDerWaalsContact O-CG2 3.28Å; V334-V338 WeakPolarHBondContact O-CG2 3.31Å; V334-V338 PolarHBondContact O-N 3.34Å; F335-V338 PolarHBondContact O-N 3.36Å; V338-D340 VanDerWaalsContact C-N 3.31Å; V338-D340 PolarHBondContact O-N 3.45Å; V338-T341 WeakPolarHBondContact O-CB 3.48Å; V338-T341 PolarHBondContact O-N 2.93Å; V338-I342 HydrophobicContact CG1-CD1 3.49Å; V338-I342 VanDerWaalsContact CG1-CD1 3.49Å; V338-I342 HydrophobicContact CG1-CG1 4.2Å; V338-I342 VanDerWaalsContact O-CG1 3.23Å; V338-I342 WeakPolarHBondContact O-CG1 3.5Å; V338-I342 PolarHBondContact O-N 3.48Å
339R90.8Very high87.7Confident49 Ų4955.9 Ų55.919%0.18527%0.271CS..Hα-helixtrans-54-50.4174.8177.8-160.368.8174.7-1.5110.4L190 E191 F195 F335 A336 A337 T341 I342 L343L190-R339 VanDerWaalsContact CD2-CD 3.46Å; L190-R339 HydrophobicContact CD2-CG 4.34Å; E191-R339 IonicContact OE1-NH1 2.78Å; E191-R339 PolarHBondContact OE1-NH1 3.09Å; E191-R339 VanDerWaalsContact OE1-NH1 3.1Å; E191-R339 IonicContact OE2-NH1 3.54Å; F195-R339 HydrophobicContact CZ-CG 3.91Å; F335-R339 VanDerWaalsContact O-CB 3.28Å; F335-R339 WeakPolarHBondContact O-CB 3.4Å; F335-R339 PolarHBondContact O-N 3.21Å; A336-R339 WeakPolarHBondContact O-CB 3.46Å; A336-R339 PolarHBondContact O-N 2.94Å; A337-R339 PolarHBondContact O-N 3.34Å; R339-T341 VanDerWaalsContact C-N 3.28Å; R339-T341 PolarHBondContact O-N 3.22Å; R339-I342 PolarHBondContact O-N 2.84Å; R339-I342 VanDerWaalsContact O-N 3.16Å; R339-L343 HydrophobicContact CG-CD1 3.86Å; R339-L343 HydrophobicContact CG-CG 4.29Å; R339-L343 WeakPolarHBondContact O-CB 3.42Å; R339-L343 VanDerWaalsContact O-CG 3.29Å; R339-L343 WeakPolarHBondContact O-CG 3.1Å; R339-L343 PolarHBondContact O-N 2.9Å
340D87.9Confident86.2Confident68 Ų6855.5 Ų55.536%0.36427%0.265SS..Hα-helixtrans-60.5-40.5-178.2-66.1-5000111.1A336 A337 V338 Q344A336-D340 PolarHBondContact O-N 2.95Å; A337-D340 PolarHBondContact O-N 3.23Å; V338-D340 VanDerWaalsContact C-N 3.31Å; V338-D340 PolarHBondContact O-N 3.45Å; D340-Q344 WeakPolarHBondContact O-CB 3.47Å; D340-Q344 WeakPolarHBondContact O-CG 3.43Å; D340-Q344 PolarHBondContact O-N 2.95Å
341T87.3Confident84.3Confident23 Ų2361.5 Ų61.514%0.14130%0.297CS..Hα-helixtrans-61-47.9173.2-59.90000112.8Y319 A337 V338 R339 L343 Q344 H345Y319-T341 HydrophobicContact CD1-CG2 3.6Å; Y319-T341 HydrophobicContact CD2-CG2 3.57Å; Y319-T341 HydrophobicContact CE1-CG2 3.53Å; Y319-T341 HydrophobicContact CE2-CG2 3.52Å; Y319-T341 HydrophobicContact CG-CG2 3.61Å; Y319-T341 VanDerWaalsContact CZ-CG2 3.49Å; A337-T341 PolarHBondContact O-N 3.25Å; A337-T341 VanDerWaalsContact O-N 3.13Å; A337-T341 PolarHBondContact O-OG1 3.33Å; V338-T341 WeakPolarHBondContact O-CB 3.48Å; V338-T341 PolarHBondContact O-N 2.93Å; R339-T341 VanDerWaalsContact C-N 3.28Å; R339-T341 PolarHBondContact O-N 3.22Å; T341-L343 VanDerWaalsContact C-N 3.34Å; T341-L343 PolarHBondContact O-N 2.8Å; T341-Q344 PolarHBondContact O-N 3.38Å; T341-H345 WeakPolarHBondContact O-CB 3.44Å; T341-H345 PolarHBondContact O-N 3.46Å
342I88.8Confident82Confident0 Ų067.4 Ų67.40%033%0.328CS..Hα-helixtrans-63.8-43-178.3-64.2164.1000110.4L34 L36 T218 M221 I264 V338 R339 H345 N346L34-I342 HydrophobicContact CD1-CG2 3.9Å; L36-I342 HydrophobicContact CD1-CD1 4.39Å; L36-I342 HydrophobicContact CD2-CD1 3.67Å; T218-I342 HydrophobicContact CG2-CG2 4.04Å; M221-I342 HydrophobicContact CE-CD1 4.21Å; I264-I342 HydrophobicContact CD1-CD1 3.85Å; I264-I342 HydrophobicContact CD1-CG1 3.89Å; V338-I342 HydrophobicContact CG1-CD1 3.49Å; V338-I342 VanDerWaalsContact CG1-CD1 3.49Å; V338-I342 HydrophobicContact CG1-CG1 4.2Å; V338-I342 VanDerWaalsContact O-CG1 3.23Å; V338-I342 WeakPolarHBondContact O-CG1 3.5Å; V338-I342 PolarHBondContact O-N 3.48Å; R339-I342 PolarHBondContact O-N 2.84Å; R339-I342 VanDerWaalsContact O-N 3.16Å; I342-H345 PolarHBondContact O-N 2.99Å; I342-N346 PolarHBondContact O-N 3.01Å; I342-N346 PolarHBondContact O-ND2 3.26Å
343L85.9Confident79.4Confident40 Ų4070.4 Ų70.421%0.20936%0.358CS..Hα-helixtrans-67.1-43.9179.6-66.5-179.2000111.8L34 I193 R339 T341 H345 N346 L347L34-L343 HydrophobicContact CD1-CD2 3.7Å; I193-L343 HydrophobicContact CD1-CD1 4.1Å; I193-L343 HydrophobicContact CD1-CD2 3.3Å; I193-L343 HydrophobicContact CD1-CG 4.35Å; R339-L343 HydrophobicContact CG-CD1 3.86Å; R339-L343 HydrophobicContact CG-CG 4.29Å; R339-L343 WeakPolarHBondContact O-CB 3.42Å; R339-L343 VanDerWaalsContact O-CG 3.29Å; R339-L343 WeakPolarHBondContact O-CG 3.1Å; R339-L343 PolarHBondContact O-N 2.9Å; T341-L343 VanDerWaalsContact C-N 3.34Å; T341-L343 PolarHBondContact O-N 2.8Å; L343-H345 VanDerWaalsContact C-N 3.28Å; L343-H345 PolarHBondContact O-N 3.49Å; L343-N346 PolarHBondContact O-N 2.98Å; L343-L347 WeakPolarHBondContact O-CB 3.38Å; L343-L347 VanDerWaalsContact O-CG 3.25Å; L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 2.97Å
344Q80.8Confident78.6Confident120 Ų12066.4 Ų66.456%0.56134%0.342SS*.Hα-helixtrans-60.4-39.1175.1-75176.28.600112.1D340 T341 K348D340-Q344 WeakPolarHBondContact O-CB 3.47Å; D340-Q344 WeakPolarHBondContact O-CG 3.43Å; D340-Q344 PolarHBondContact O-N 2.95Å; T341-Q344 PolarHBondContact O-N 3.38Å; Q344-K348 WeakPolarHBondContact O-CG 3.49Å; Q344-K348 PolarHBondContact O-N 3.18Å
345H78.9Confident77.7Confident67 Ų6769.6 Ų69.631%0.3136%0.359SS..Hα-helixtrans-67.4-46.7177.2-16777.4000112T341 I342 L343 L347 K348 E349T341-H345 WeakPolarHBondContact O-CB 3.44Å; T341-H345 PolarHBondContact O-N 3.46Å; I342-H345 PolarHBondContact O-N 2.99Å; L343-H345 VanDerWaalsContact C-N 3.28Å; L343-H345 PolarHBondContact O-N 3.49Å; H345-L347 PolarHBondContact O-N 3Å; H345-K348 PolarHBondContact O-N 2.81Å; H345-E349 PolarHBondContact O-N 3.45Å; H345-E349 VanDerWaalsContact O-N 3.14Å
346N75.7Confident76.7Confident15 Ų1573.4 Ų73.48%0.0838%0.378CS..Hα-helixtrans-61.9-43.1177.2-86.7-93.9000112.3L34 T218 I342 L343 K348 E349 Y350L34-N346 WeakPolarHBondContact CD2-OD1 3.16Å; T218-N346 WeakPolarHBondContact CG2-ND2 3.45Å; I342-N346 PolarHBondContact O-N 3.01Å; I342-N346 PolarHBondContact O-ND2 3.26Å; L343-N346 PolarHBondContact O-N 2.98Å; N346-K348 VanDerWaalsContact C-N 3.29Å; N346-K348 PolarHBondContact O-N 3.22Å; N346-E349 PolarHBondContact O-N 3.4Å; N346-Y350 WeakPolarHBondContact O-CD2 3.5Å; N346-Y350 PolarHBondContact O-N 3.2Å; N346-Y350 VanDerWaalsContact O-N 3.09Å
347L73.2Confident75.7Confident75 Ų7575.3 Ų75.339%0.39338%0.381SS..Hα-helixtrans-62-37.2179.4-72.4170.7000112.4L343 H345 Y350 N351 L352 V353L343-L347 WeakPolarHBondContact O-CB 3.38Å; L343-L347 VanDerWaalsContact O-CG 3.25Å; L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 2.97Å; H345-L347 PolarHBondContact O-N 3Å; L347-Y350 PolarHBondContact O-N 3.02Å; L347-N351 PolarHBondContact O-N 2.91Å; L347-L352 HydrophobicContact CD2-CB 3.88Å; L347-L352 HydrophobicContact CD2-CD1 3.87Å; L347-L352 PolarHBondContact O-N 2.95Å; L347-V353 HydrophobicContact CB-CG2 3.93Å
348K68.9Low74.6Confident142 Ų14278.1 Ų78.162%0.61739%0.389SS*.Hα-helixtrans-64.1-43.3173.7-73.8175.5-179.2-178.80111.8Q344 H345 N346 Y350 N351Q344-K348 WeakPolarHBondContact O-CG 3.49Å; Q344-K348 PolarHBondContact O-N 3.18Å; H345-K348 PolarHBondContact O-N 2.81Å; N346-K348 VanDerWaalsContact C-N 3.29Å; N346-K348 PolarHBondContact O-N 3.22Å; K348-Y350 VanDerWaalsContact C-N 3.29Å; K348-Y350 PolarHBondContact O-N 3.42Å; K348-N351 PolarHBondContact O-N 2.75Å
349E67.5Low73.4Confident109 Ų10983.3 Ų83.351%0.50942%0.415SS..Hα-helixtrans-63.1-35.1179-161.9-175.8174.900112.3H345 N346H345-E349 PolarHBondContact O-N 3.45Å; H345-E349 VanDerWaalsContact O-N 3.14Å; N346-E349 PolarHBondContact O-N 3.4Å
350Y64.9Low72.2Confident104 Ų10485.8 Ų85.841%0.40843%0.431SS..THydrogen-bonded Turntrans-87.37177.7-69.9-68.4000115R31 N346 L347 K348 L352R31-Y350 HydrophobicContact CG-CE1 4.37Å; N346-Y350 WeakPolarHBondContact O-CD2 3.5Å; N346-Y350 PolarHBondContact O-N 3.2Å; N346-Y350 VanDerWaalsContact O-N 3.09Å; L347-Y350 PolarHBondContact O-N 3.02Å; K348-Y350 VanDerWaalsContact C-N 3.29Å; K348-Y350 PolarHBondContact O-N 3.42Å; Y350-L352 PolarHBondContact O-N 3.11Å
351N58.1Low71Confident148 Ų14887.2 Ų87.279%0.79144%0.437SS*.THydrogen-bonded Turntrans51.740.1-174.9-64-44000113.3L347 K348L347-N351 PolarHBondContact O-N 2.91Å; K348-N351 PolarHBondContact O-N 2.75Å
352L51.2Low69.6Low124 Ų12492.5 Ų92.565%0.64946%0.461SS*.  trans-96.78.2179-69172.7000113.4L347 Y350L347-L352 HydrophobicContact CD2-CB 3.88Å; L347-L352 HydrophobicContact CD2-CD1 3.87Å; L347-L352 PolarHBondContact O-N 2.95Å; Y350-L352 PolarHBondContact O-N 3.11Å
353V41.7Very low67.9Low166 Ų166100.9 Ų100.9100%1.00650%0.503SS*.  trans-1180175.8-173.70000110.1L347L347-V353 HydrophobicContact CB-CG2 3.93Å

Retrieved 353 of 353 residues in 97.9 ms (Link to these results)

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