A0A077ZIH0_TRITR Loading...

Lon C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIH0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 625 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
1M56.4Low70.9Confident72 Ų7280.6 Ų80.636%0.35537%0.37SS..  0132.70-77.5-170.2165.600108L152 R184 L189 N192M1-L152 HydrophobicContact CE-CD2 3.46Å; M1-L152 VanDerWaalsContact CE-CD2 3.46Å; M1-R184 PolarHBondContact O-NH1 3.09Å; M1-L189 HydrophobicContact CE-CD1 3.87Å; M1-L189 HydrophobicContact SD-CB 4.26Å; M1-L189 HydrophobicContact SD-CD1 3.99Å; M1-N192 PolarHBondContact N-OD1 2.91Å; M1-N192 VanDerWaalsContact N-OD1 3.14Å
2M65.5Low72.5Confident24 Ų2479.3 Ų79.312%0.11836%0.363CS..  trans-68146.6-176.6-170.1160.6-71.800112.6D6 L7 Q10 I181 R184 P300 T304M2-D6 HydrophobicContact CG-CB 3.4Å; M2-D6 VanDerWaalsContact CG-CB 3.4Å; M2-D6 HydrophobicContact SD-CB 4.14Å; M2-L7 HydrophobicContact SD-CB 4.44Å; M2-L7 HydrophobicContact SD-CD1 4.37Å; M2-Q10 HydrophobicContact CE-CG 4.23Å; M2-Q10 HydrophobicContact SD-CG 4.19Å; M2-I181 HydrophobicContact CB-CG1 4.39Å; M2-R184 VanDerWaalsContact C-NH1 3.28Å; M2-P300 HydrophobicContact CE-CB 4.11Å; M2-T304 WeakPolarHBondContact CE-OG1 3.44Å; M2-T304 PolarHBondContact SD-OG1 3.33Å; M2-T304 VanDerWaalsContact SD-OG1 3.33Å
3S66.6Low74Confident21 Ų2173.2 Ų73.215%0.14734%0.335CS..  trans-90.1165.1175.193.30000111.1K5 D6 L7 R184S3-K5 PolarHBondContact O-N 3.04Å; S3-K5 WeakPolarHBondContact OG-CB 3.4Å; S3-K5 PolarHBondContact OG-N 3.3Å; S3-D6 WeakPolarHBondContact CB-OD2 3.21Å; S3-D6 PolarHBondContact N-OD2 2.79Å; S3-D6 PolarHBondContact O-N 3.17Å; S3-D6 PolarHBondContact OG-N 3Å; S3-D6 PolarHBondContact OG-OD1 3.33Å; S3-D6 PolarHBondContact OG-OD2 3.25Å; S3-L7 PolarHBondContact O-N 2.97Å; S3-R184 VanDerWaalsContact CB-NH1 3.32Å
4F68.9Low75Confident85 Ų8574.8 Ų74.837%0.37334%0.341SS..Hα-helixtrans-62.4-30.9170-90.1-71.7000112.9K8 I181 I182 H185F4-K8 WeakPolarHBondContact O-CG 3.34Å; F4-K8 PolarHBondContact O-N 3.3Å; F4-K8 VanDerWaalsContact O-N 3.12Å; F4-I181 HydrophobicContact CD1-CG2 4.02Å; F4-I181 HydrophobicContact CD2-CG2 3.76Å; F4-I181 HydrophobicContact CE1-CG2 4.06Å; F4-I181 HydrophobicContact CE2-CG2 3.81Å; F4-I181 HydrophobicContact CG-CG2 3.87Å; F4-I181 HydrophobicContact CZ-CG2 3.96Å; F4-I182 HydrophobicContact CE2-CG1 4.49Å; F4-I182 HydrophobicContact CZ-CG1 4.06Å; F4-H185 HydrophobicContact CD2-CB 3.6Å; F4-H185 AromaticContact CD2-CG 3.6Å; F4-H185 AromaticContact CD2-ND1 3.6Å; F4-H185 HydrophobicContact CE2-CB 3.53Å; F4-H185 AromaticContact CE2-CG 3.69Å
5K67.1Low76Confident155 Ų15572.7 Ų72.767%0.67434%0.336SS*.Hα-helixtrans-67.8-46175.9-66.2-178.6179.5177.10109.8S3 L7 K8 L9S3-K5 PolarHBondContact O-N 3.04Å; S3-K5 WeakPolarHBondContact OG-CB 3.4Å; S3-K5 PolarHBondContact OG-N 3.3Å; K5-L7 PolarHBondContact O-N 3.4Å; K5-K8 PolarHBondContact O-N 2.92Å; K5-L9 WeakPolarHBondContact O-CD1 3.49Å; K5-L9 WeakPolarHBondContact O-CG 3.38Å; K5-L9 PolarHBondContact O-N 2.83Å
6D69.1Low77Confident23 Ų2368.2 Ų68.212%0.12332%0.315CS..Hα-helixtrans-60.3-47.9177.6-48.1-1000109.4M2 S3 K8 L9 Q10 R184M2-D6 HydrophobicContact CG-CB 3.4Å; M2-D6 VanDerWaalsContact CG-CB 3.4Å; M2-D6 HydrophobicContact SD-CB 4.14Å; S3-D6 WeakPolarHBondContact CB-OD2 3.21Å; S3-D6 PolarHBondContact N-OD2 2.79Å; S3-D6 PolarHBondContact O-N 3.17Å; S3-D6 PolarHBondContact OG-N 3Å; S3-D6 PolarHBondContact OG-OD1 3.33Å; S3-D6 PolarHBondContact OG-OD2 3.25Å; D6-K8 VanDerWaalsContact C-N 3.3Å; D6-K8 PolarHBondContact O-N 3.12Å; D6-L9 CarbonylContact O-C 3.54Å; D6-L9 WeakPolarHBondContact O-CA 3.28Å; D6-L9 WeakPolarHBondContact O-CB 3.48Å; D6-L9 PolarHBondContact O-N 3.28Å; D6-Q10 WeakPolarHBondContact O-CB 3.29Å; D6-Q10 WeakPolarHBondContact O-CG 3.36Å; D6-Q10 PolarHBondContact O-N 2.96Å; D6-R184 IonicContact OD2-NH1 2.75Å
7L70.3Confident77.9Confident60 Ų6064.2 Ų64.231%0.31430%0.297SS..Hα-helixtrans-58-43.1178.7-174.469.9000111.7M2 S3 K5 L9 Q10 I181M2-L7 HydrophobicContact SD-CB 4.44Å; M2-L7 HydrophobicContact SD-CD1 4.37Å; S3-L7 PolarHBondContact O-N 2.97Å; K5-L7 PolarHBondContact O-N 3.4Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 2.94Å; L7-Q10 PolarHBondContact O-N 3.21Å; L7-I181 HydrophobicContact CD1-CD1 4.27Å; L7-I181 HydrophobicContact CD2-CD1 4.05Å
8K72.1Confident78.5Confident165 Ų16561.2 Ų61.272%0.71728%0.284SS*.Hα-helixtrans-63.1-37.1174.8-76-175.8-179.3-174.60112.1F4 K5 D6 Q10 W11F4-K8 WeakPolarHBondContact O-CG 3.34Å; F4-K8 PolarHBondContact O-N 3.3Å; F4-K8 VanDerWaalsContact O-N 3.12Å; K5-K8 PolarHBondContact O-N 2.92Å; D6-K8 VanDerWaalsContact C-N 3.3Å; D6-K8 PolarHBondContact O-N 3.12Å; K8-Q10 VanDerWaalsContact C-N 3.31Å; K8-W11 VanDerWaalsContact O-CD1 3.23Å
9L74.6Confident79.2Confident114 Ų11462.6 Ų62.660%0.59729%0.293SS*.Hα-helixtrans-68.7-30.8175.3-73.2157.2000112K5 D6 L7 W11K5-L9 WeakPolarHBondContact O-CD1 3.49Å; K5-L9 WeakPolarHBondContact O-CG 3.38Å; K5-L9 PolarHBondContact O-N 2.83Å; D6-L9 CarbonylContact O-C 3.54Å; D6-L9 WeakPolarHBondContact O-CA 3.28Å; D6-L9 WeakPolarHBondContact O-CB 3.48Å; D6-L9 PolarHBondContact O-N 3.28Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 2.94Å; L9-W11 VanDerWaalsContact C-N 3.31Å; L9-W11 PolarHBondContact O-N 3.05Å
10Q83.5Confident79.9Confident23 Ų2359.5 Ų59.511%0.10728%0.279CS..THydrogen-bonded Turntrans-85.911.3-176.3-63.7-56.5-34.900114.8M2 D6 L7 K8 K12 T13 F14 T304M2-Q10 HydrophobicContact CE-CG 4.23Å; M2-Q10 HydrophobicContact SD-CG 4.19Å; D6-Q10 WeakPolarHBondContact O-CB 3.29Å; D6-Q10 WeakPolarHBondContact O-CG 3.36Å; D6-Q10 PolarHBondContact O-N 2.96Å; L7-Q10 PolarHBondContact O-N 3.21Å; K8-Q10 VanDerWaalsContact C-N 3.31Å; Q10-K12 PolarHBondContact O-N 3.4Å; Q10-T13 VanDerWaalsContact O-CB 3.32Å; Q10-T13 WeakPolarHBondContact O-CB 3.48Å; Q10-T13 PolarHBondContact O-N 2.86Å; Q10-T13 VanDerWaalsContact O-N 3.07Å; Q10-T13 PolarHBondContact OE1-OG1 2.84Å; Q10-F14 PolarHBondContact O-N 2.75Å; Q10-T304 HydrophobicContact CB-CG2 3.96Å
11W85.4Confident80.5Confident145 Ų14556.6 Ų56.655%0.54927%0.265SS..Hα-helixtrans-56-36.6176.475.9-91000112.3K8 L9 T13 F14 V15K8-W11 VanDerWaalsContact O-CD1 3.23Å; L9-W11 VanDerWaalsContact C-N 3.31Å; L9-W11 PolarHBondContact O-N 3.05Å; W11-T13 PolarHBondContact O-N 3.2Å; W11-F14 WeakPolarHBondContact O-CB 3.49Å; W11-F14 PolarHBondContact O-N 3.34Å; W11-V15 HydrophobicContact CE3-CG2 3.87Å; W11-V15 HydrophobicContact CZ3-CG2 4.14Å; W11-V15 WeakPolarHBondContact O-CG2 3.36Å; W11-V15 PolarHBondContact O-N 2.9Å
12K90.1Very high82.1Confident65 Ų6556.1 Ų56.128%0.28327%0.266SS..Hα-helixtrans-60.1-45.8176.6-64.3-178.5177.3-164.60111.3Q10 F14 V15 V16 V252 Y254Q10-K12 PolarHBondContact O-N 3.4Å; K12-F14 VanDerWaalsContact C-N 3.32Å; K12-F14 PolarHBondContact O-N 2.76Å; K12-V15 PolarHBondContact O-N 2.9Å; K12-V16 VanDerWaalsContact O-CG2 3.28Å; K12-V16 WeakPolarHBondContact O-CG2 3.39Å; K12-V16 PolarHBondContact O-N 3Å; K12-V252 HydrophobicContact CB-CB 4.13Å; K12-V252 HydrophobicContact CB-CG2 4.07Å; K12-V252 HydrophobicContact CD-CB 4.32Å; K12-V252 VanDerWaalsContact CD-O 3.28Å; K12-V252 WeakPolarHBondContact CD-O 3.36Å; K12-V252 WeakPolarHBondContact CE-O 3.38Å; K12-V252 HydrophobicContact CG-CB 4.11Å; K12-V252 PolarHBondContact NZ-O 2.97Å; K12-Y254 HydrophobicContact CB-CE1 3.98Å; K12-Y254 HydrophobicContact CB-CE2 4.18Å; K12-Y254 WeakPolarHBondContact CB-OH 3.38Å; K12-Y254 HydrophobicContact CD-CE1 3.92Å
13T91.9Very high83.4Confident0 Ų058.6 Ų58.60%028%0.279CS..Hα-helixtrans-60.3-44.2176-52.30000111.2Q10 W11 V15 V16 G17 Y254 V262 I301 T304 A305Q10-T13 VanDerWaalsContact O-CB 3.32Å; Q10-T13 WeakPolarHBondContact O-CB 3.48Å; Q10-T13 PolarHBondContact O-N 2.86Å; Q10-T13 VanDerWaalsContact O-N 3.07Å; Q10-T13 PolarHBondContact OE1-OG1 2.84Å; W11-T13 PolarHBondContact O-N 3.2Å; T13-V15 PolarHBondContact O-N 3.17Å; T13-V16 PolarHBondContact O-N 2.97Å; T13-G17 PolarHBondContact O-N 2.82Å; T13-Y254 PolarHBondContact N-OH 3.25Å; T13-Y254 PolarHBondContact OG1-OH 2.78Å; T13-V262 HydrophobicContact CG2-CG1 4.26Å; T13-V262 HydrophobicContact CG2-CG2 4.39Å; T13-I301 HydrophobicContact CG2-CG2 3.94Å; T13-I301 VanDerWaalsContact CG2-O 3.27Å; T13-I301 WeakPolarHBondContact CG2-O 3.33Å; T13-T304 HydrophobicContact CG2-CG2 4.11Å; T13-A305 HydrophobicContact CG2-CB 3.67Å
14F88Confident84.6Confident95 Ų9557.6 Ų57.642%0.41727%0.272SS..Hα-helixtrans-59.1-49.5177.3-169.2-93.6000110.7Q10 W11 K12 V16 G17 S18 S308 I312Q10-F14 PolarHBondContact O-N 2.75Å; W11-F14 WeakPolarHBondContact O-CB 3.49Å; W11-F14 PolarHBondContact O-N 3.34Å; K12-F14 VanDerWaalsContact C-N 3.32Å; K12-F14 PolarHBondContact O-N 2.76Å; F14-V16 PolarHBondContact O-N 3.47Å; F14-G17 PolarHBondContact O-N 2.84Å; F14-S18 WeakPolarHBondContact CE1-OG 3.18Å; F14-S18 WeakPolarHBondContact O-CB 3.38Å; F14-S18 PolarHBondContact O-N 2.89Å; F14-S18 PolarHBondContact O-OG 3.48Å; F14-S308 WeakPolarHBondContact CD2-OG 3.26Å; F14-S308 PolarHBondContact O-OG 2.75Å; F14-S308 VanDerWaalsContact O-OG 3.06Å; F14-I312 HydrophobicContact CZ-CD1 4.27Å
15V89.7Confident85.6Confident44 Ų4453.8 Ų53.827%0.26726%0.256SS..Hα-helixtrans-58.7-48.4177.9171.10000112.1W11 K12 T13 L19 I248 V252W11-V15 HydrophobicContact CE3-CG2 3.87Å; W11-V15 HydrophobicContact CZ3-CG2 4.14Å; W11-V15 WeakPolarHBondContact O-CG2 3.36Å; W11-V15 PolarHBondContact O-N 2.9Å; K12-V15 PolarHBondContact O-N 2.9Å; T13-V15 PolarHBondContact O-N 3.17Å; V15-L19 HydrophobicContact CG1-CD1 3.64Å; V15-L19 HydrophobicContact CG1-CG 4.35Å; V15-L19 VanDerWaalsContact O-CB 3.29Å; V15-L19 WeakPolarHBondContact O-CB 3.46Å; V15-L19 WeakPolarHBondContact O-CG 3.38Å; V15-L19 PolarHBondContact O-N 2.77Å; V15-I248 HydrophobicContact CG1-CG2 4.49Å; V15-V252 HydrophobicContact CG1-CG1 4.33Å
16V93.1Very high86.6Confident0 Ų049.8 Ų49.80%025%0.245CC..Hα-helixtrans-62.5-50.8-179.7177.40000110.8K12 T13 F14 T20 I248 V252 Y254 V262K12-V16 VanDerWaalsContact O-CG2 3.28Å; K12-V16 WeakPolarHBondContact O-CG2 3.39Å; K12-V16 PolarHBondContact O-N 3Å; T13-V16 PolarHBondContact O-N 2.97Å; F14-V16 PolarHBondContact O-N 3.47Å; V16-T20 VanDerWaalsContact O-CB 3.23Å; V16-T20 WeakPolarHBondContact O-CB 3.25Å; V16-T20 PolarHBondContact O-N 2.84Å; V16-T20 PolarHBondContact O-OG1 2.9Å; V16-I248 HydrophobicContact CB-CG2 4.41Å; V16-I248 HydrophobicContact CG2-CG2 4.05Å; V16-V252 HydrophobicContact CG2-CG2 3.49Å; V16-V252 VanDerWaalsContact CG2-CG2 3.49Å; V16-Y254 HydrophobicContact CG2-CD2 4.3Å; V16-V262 HydrophobicContact CB-CG1 3.87Å; V16-V262 HydrophobicContact CG1-CB 4.17Å; V16-V262 HydrophobicContact CG1-CG1 3.6Å
17G91.2Very high87.6Confident0 Ų051.2 Ų51.20%025%0.252CS..Hα-helixtrans-60.6-49.2179.100000111.8T13 F14 T20 V21T13-G17 PolarHBondContact O-N 2.82Å; F14-G17 PolarHBondContact O-N 2.84Å; G17-T20 PolarHBondContact O-N 3.19Å; G17-V21 WeakPolarHBondContact O-CG2 3.18Å; G17-V21 PolarHBondContact O-N 3.48Å; G17-V21 VanDerWaalsContact O-N 3.11Å
18S89.4Confident88.6Confident11 Ų1148.4 Ų48.48%0.07724%0.237CC..Hα-helixtrans-63.9-50.7-176.2-68.60000113F14 T20 V21 V22 S308 I312F14-S18 WeakPolarHBondContact CE1-OG 3.18Å; F14-S18 WeakPolarHBondContact O-CB 3.38Å; F14-S18 PolarHBondContact O-N 2.89Å; F14-S18 PolarHBondContact O-OG 3.48Å; S18-T20 VanDerWaalsContact C-N 3.31Å; S18-T20 PolarHBondContact O-N 3.41Å; S18-V21 PolarHBondContact O-N 3.42Å; S18-V22 WeakPolarHBondContact O-CG2 3.38Å; S18-V22 PolarHBondContact O-N 2.84Å; S18-V22 VanDerWaalsContact O-N 3.07Å; S18-S308 PolarHBondContact OG-OG 3.29Å; S18-S308 VanDerWaalsContact OG-OG 3.09Å; S18-I312 WeakPolarHBondContact OG-CG1 3.45Å
19L91.9Very high89.3Confident87 Ų8742.8 Ų42.846%0.45521%0.214SC..Hα-helixtrans-67.5-33.1-180-71.6176.7000112.1V15 V22 L23 I248V15-L19 HydrophobicContact CG1-CD1 3.64Å; V15-L19 HydrophobicContact CG1-CG 4.35Å; V15-L19 VanDerWaalsContact O-CB 3.29Å; V15-L19 WeakPolarHBondContact O-CB 3.46Å; V15-L19 WeakPolarHBondContact O-CG 3.38Å; V15-L19 PolarHBondContact O-N 2.77Å; L19-V22 PolarHBondContact O-N 3.02Å; L19-L23 VanDerWaalsContact O-CB 3.25Å; L19-L23 WeakPolarHBondContact O-CB 3.23Å; L19-L23 PolarHBondContact O-N 3.46Å; L19-I248 HydrophobicContact CB-CD1 3.75Å; L19-I248 HydrophobicContact CB-CG2 4.42Å; L19-I248 HydrophobicContact CD1-CG2 4.07Å
20T94.1Very high89.8Confident0 Ų044.4 Ų44.40%022%0.217CC..Hα-helixtrans-62-47.1174.9-59.90000110.4V16 G17 S18 M24 I241 A244V16-T20 VanDerWaalsContact O-CB 3.23Å; V16-T20 WeakPolarHBondContact O-CB 3.25Å; V16-T20 PolarHBondContact O-N 2.84Å; V16-T20 PolarHBondContact O-OG1 2.9Å; G17-T20 PolarHBondContact O-N 3.19Å; S18-T20 VanDerWaalsContact C-N 3.31Å; S18-T20 PolarHBondContact O-N 3.41Å; T20-M24 WeakPolarHBondContact O-CB 3.12Å; T20-M24 PolarHBondContact O-N 3.22Å; T20-I241 HydrophobicContact CG2-CG1 4.34Å; T20-A244 HydrophobicContact CG2-CB 4.35Å
21V91.4Very high90.1Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-60.1-50.8177.1176.30000110.7G17 S18 L23 M24 T25 T266 T309 I312 T313 I316G17-V21 WeakPolarHBondContact O-CG2 3.18Å; G17-V21 PolarHBondContact O-N 3.48Å; G17-V21 VanDerWaalsContact O-N 3.11Å; S18-V21 PolarHBondContact O-N 3.42Å; V21-L23 PolarHBondContact O-N 3Å; V21-M24 PolarHBondContact O-N 3.26Å; V21-T25 PolarHBondContact O-N 2.91Å; V21-T25 PolarHBondContact O-OG1 2.88Å; V21-T266 HydrophobicContact CG2-CG2 3.75Å; V21-T309 HydrophobicContact CG2-CG2 3.9Å; V21-I312 HydrophobicContact CB-CG2 4.04Å; V21-I312 HydrophobicContact CG1-CB 4.48Å; V21-I312 HydrophobicContact CG1-CG2 3.92Å; V21-T313 WeakPolarHBondContact CG1-OG1 3.48Å; V21-I316 HydrophobicContact CG1-CD1 3.89Å
22V90Very high90.1Very high61 Ų6139.1 Ų39.137%0.3720%0.199SC..Hα-helixtrans-58.6-49.3-178.9172.90000111.5S18 L19 M24 T25 V26 I312 I316S18-V22 WeakPolarHBondContact O-CG2 3.38Å; S18-V22 PolarHBondContact O-N 2.84Å; S18-V22 VanDerWaalsContact O-N 3.07Å; L19-V22 PolarHBondContact O-N 3.02Å; V22-M24 VanDerWaalsContact C-N 3.33Å; V22-M24 PolarHBondContact O-N 2.96Å; V22-T25 PolarHBondContact O-N 3.47Å; V22-V26 WeakPolarHBondContact O-CG2 3.27Å; V22-V26 PolarHBondContact O-N 3.37Å; V22-V26 VanDerWaalsContact O-N 3.07Å; V22-I312 HydrophobicContact CG2-CG2 3.87Å; V22-I316 HydrophobicContact CG2-CD1 4.16Å
23L92.2Very high89.8Confident76 Ų7640.2 Ų40.240%0.39821%0.206SC..Hα-helixtrans-64.4-41.2-179.5-174.261.8000111L19 V21 V26 I27 A244L19-L23 VanDerWaalsContact O-CB 3.25Å; L19-L23 WeakPolarHBondContact O-CB 3.23Å; L19-L23 PolarHBondContact O-N 3.46Å; V21-L23 PolarHBondContact O-N 3Å; L23-V26 PolarHBondContact O-N 3.5Å; L23-I27 HydrophobicContact CD1-CD1 3.73Å; L23-I27 HydrophobicContact CD1-CG1 4.15Å; L23-I27 HydrophobicContact CD2-CD1 4.36Å; L23-I27 HydrophobicContact CG-CD1 3.67Å; L23-I27 HydrophobicContact CG-CG1 4.39Å; L23-I27 WeakPolarHBondContact O-CB 3.33Å; L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.37Å; L23-I27 PolarHBondContact O-N 3.14Å; L23-A244 HydrophobicContact CD2-CB 3.74Å
24M92.1Very high89.5Confident0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-63.1-44.3176.5-173.6-179.572.900112T20 V21 V22 V26 I27 L28 I48 T49 I240 I241 T266T20-M24 WeakPolarHBondContact O-CB 3.12Å; T20-M24 PolarHBondContact O-N 3.22Å; V21-M24 PolarHBondContact O-N 3.26Å; V22-M24 VanDerWaalsContact C-N 3.33Å; V22-M24 PolarHBondContact O-N 2.96Å; M24-V26 PolarHBondContact O-N 3.19Å; M24-I27 PolarHBondContact O-N 3.34Å; M24-L28 HydrophobicContact CG-CD1 3.61Å; M24-L28 HydrophobicContact CG-CG 4.05Å; M24-L28 VanDerWaalsContact O-CB 3.23Å; M24-L28 WeakPolarHBondContact O-CB 3.38Å; M24-L28 VanDerWaalsContact O-CG 3.31Å; M24-L28 WeakPolarHBondContact O-CG 3.44Å; M24-L28 PolarHBondContact O-N 3.14Å; M24-L28 HydrophobicContact SD-CD1 4.22Å; M24-I48 HydrophobicContact CE-CG2 3.64Å; M24-I48 HydrophobicContact SD-CG2 3.77Å; M24-T49 HydrophobicContact CE-CG2 3.32Å; M24-I240 HydrophobicContact CB-CG2 3.96Å; M24-I240 HydrophobicContact CG-CB 4.36Å; M24-I240 HydrophobicContact CG-CG2 4.03Å; M24-I241 HydrophobicContact SD-CD1 3.67Å; M24-I241 HydrophobicContact SD-CG1 3.45Å; M24-I241 WeakPolarHBondContact SD-CG1 3.37Å; M24-T266 HydrophobicContact CE-CG2 3.37Å
25T89.4Confident89.5Confident5 Ų546.6 Ų46.63%0.03124%0.242CC..Hα-helixtrans-57.8-48.9175.9-56.90000111.2V21 V22 I29 T45 T49 I316V21-T25 PolarHBondContact O-N 2.91Å; V21-T25 PolarHBondContact O-OG1 2.88Å; V22-T25 PolarHBondContact O-N 3.47Å; T25-I29 HydrophobicContact CG2-CD1 3.87Å; T25-I29 WeakPolarHBondContact O-CG1 3.4Å; T25-I29 PolarHBondContact O-N 2.86Å; T25-I29 VanDerWaalsContact O-N 3.08Å; T25-T45 HydrophobicContact CG2-CG2 4.08Å; T25-T49 WeakPolarHBondContact OG1-CG2 3.28Å; T25-I316 HydrophobicContact CG2-CG2 3.98Å
26V88.2Confident89.4Confident72 Ų7246.6 Ų46.644%0.43624%0.239SC..Hα-helixtrans-64.5-46.5-177.1172.60000111.2V22 L23 M24 F30V22-V26 WeakPolarHBondContact O-CG2 3.27Å; V22-V26 PolarHBondContact O-N 3.37Å; V22-V26 VanDerWaalsContact O-N 3.07Å; L23-V26 PolarHBondContact O-N 3.5Å; M24-V26 PolarHBondContact O-N 3.19Å; V26-F30 PolarHBondContact O-N 2.87Å
27I91.6Very high88.9Confident53 Ų5347.9 Ų47.927%0.27225%0.246SC..Hα-helixtrans-68-44.3-178.8-65.2173.6000110.9L23 M24 I29 F30 I31 I240L23-I27 HydrophobicContact CD1-CD1 3.73Å; L23-I27 HydrophobicContact CD1-CG1 4.15Å; L23-I27 HydrophobicContact CD2-CD1 4.36Å; L23-I27 HydrophobicContact CG-CD1 3.67Å; L23-I27 HydrophobicContact CG-CG1 4.39Å; L23-I27 WeakPolarHBondContact O-CB 3.33Å; L23-I27 VanDerWaalsContact O-CG1 3.25Å; L23-I27 WeakPolarHBondContact O-CG1 3.37Å; L23-I27 PolarHBondContact O-N 3.14Å; M24-I27 PolarHBondContact O-N 3.34Å; I27-I29 PolarHBondContact O-N 2.8Å; I27-F30 PolarHBondContact O-N 3.19Å; I27-I31 HydrophobicContact CG2-CD1 3.46Å; I27-I31 VanDerWaalsContact CG2-CD1 3.46Å; I27-I31 HydrophobicContact CG2-CG1 4.07Å; I27-I31 WeakPolarHBondContact O-CG1 3.47Å; I27-I31 PolarHBondContact O-N 3.41Å; I27-I240 HydrophobicContact CB-CD1 4.04Å; I27-I240 HydrophobicContact CD1-CG2 4.17Å; I27-I240 HydrophobicContact CG2-CD1 3.5Å; I27-I240 VanDerWaalsContact CG2-CD1 3.5Å; I27-I240 HydrophobicContact CG2-CG1 4Å
28L90.7Very high88.3Confident0 Ų053.7 Ų53.70%027%0.268CS..Hα-helixtrans-65.7-38.6-178.8-76.8178.5000112.7M24 F30 G32 T45 I48 Y233 A236 I240M24-L28 HydrophobicContact CG-CD1 3.61Å; M24-L28 HydrophobicContact CG-CG 4.05Å; M24-L28 VanDerWaalsContact O-CB 3.23Å; M24-L28 WeakPolarHBondContact O-CB 3.38Å; M24-L28 VanDerWaalsContact O-CG 3.31Å; M24-L28 WeakPolarHBondContact O-CG 3.44Å; M24-L28 PolarHBondContact O-N 3.14Å; M24-L28 HydrophobicContact SD-CD1 4.22Å; L28-F30 VanDerWaalsContact C-N 3.34Å; L28-G32 WeakPolarHBondContact O-CA 3.47Å; L28-G32 PolarHBondContact O-N 3.32Å; L28-T45 HydrophobicContact CB-CG2 3.68Å; L28-T45 WeakPolarHBondContact CB-OG1 3.11Å; L28-T45 HydrophobicContact CD1-CG2 4.31Å; L28-I48 HydrophobicContact CD1-CB 4Å; L28-I48 HydrophobicContact CD1-CG1 4.37Å; L28-I48 HydrophobicContact CD1-CG2 3.94Å; L28-Y233 HydrophobicContact CD2-CD1 4.38Å; L28-A236 HydrophobicContact CD2-CB 3.73Å; L28-I240 HydrophobicContact CD2-CD1 3.53Å; L28-I240 HydrophobicContact CG-CD1 3.7Å
29I86.4Confident88Confident47 Ų4755.4 Ų55.424%0.24128%0.276CS..Hα-helixtrans-61-47.4173.8-73.3167.3000109.6T25 I27 G32 E33 T45T25-I29 HydrophobicContact CG2-CD1 3.87Å; T25-I29 WeakPolarHBondContact O-CG1 3.4Å; T25-I29 PolarHBondContact O-N 2.86Å; T25-I29 VanDerWaalsContact O-N 3.08Å; I27-I29 PolarHBondContact O-N 2.8Å; I29-G32 PolarHBondContact O-N 3.38Å; I29-E33 HydrophobicContact CG2-CG 4.37Å; I29-E33 WeakPolarHBondContact O-CB 3.48Å; I29-E33 WeakPolarHBondContact O-CG 3.35Å; I29-E33 PolarHBondContact O-N 2.59Å; I29-T45 HydrophobicContact CD1-CG2 4.43Å; I29-T45 HydrophobicContact CG1-CG2 3.85Å; I29-T45 PolarHBondContact N-OG1 3.16Å
30F86.2Confident87.6Confident149 Ų14951.6 Ų51.665%0.65426%0.256SS*.Hα-helixtrans-64.3-48.8-176.9-177.9-98.4000112.9V26 I27 L28 G32 L34V26-F30 PolarHBondContact O-N 2.87Å; I27-F30 PolarHBondContact O-N 3.19Å; L28-F30 VanDerWaalsContact C-N 3.34Å; F30-G32 VanDerWaalsContact C-N 3.31Å; F30-L34 PolarHBondContact O-N 3.04Å
31I89.6Confident87.2Confident56 Ų5651.6 Ų51.629%0.28726%0.256SS..Hα-helixtrans-69.1-36.2178.2-56.5175.7000110I27 L34 I35 F232I27-I31 HydrophobicContact CG2-CD1 3.46Å; I27-I31 VanDerWaalsContact CG2-CD1 3.46Å; I27-I31 HydrophobicContact CG2-CG1 4.07Å; I27-I31 WeakPolarHBondContact O-CG1 3.47Å; I27-I31 PolarHBondContact O-N 3.41Å; I31-L34 WeakPolarHBondContact O-CB 3.36Å; I31-L34 PolarHBondContact O-N 3.4Å; I31-I35 HydrophobicContact CG2-CD1 3.87Å; I31-I35 PolarHBondContact O-N 3.04Å; I31-F232 HydrophobicContact CG2-CE2 4.25Å; I31-F232 HydrophobicContact CG2-CZ 3.68Å
32G85.9Confident86.8Confident0 Ų054.7 Ų54.70%028%0.275CS..Hα-helixtrans-61.6-47.117700000112.7L28 I29 F30 L34 I35 F36 Y233L28-G32 WeakPolarHBondContact O-CA 3.47Å; L28-G32 PolarHBondContact O-N 3.32Å; I29-G32 PolarHBondContact O-N 3.38Å; F30-G32 VanDerWaalsContact C-N 3.31Å; G32-L34 PolarHBondContact O-N 3.03Å; G32-I35 PolarHBondContact O-N 2.56Å; G32-F36 WeakPolarHBondContact O-CA 3.38Å; G32-F36 WeakPolarHBondContact O-CB 3.44Å; G32-F36 PolarHBondContact O-N 3.3Å; G32-Y233 VanDerWaalsContact CA-OH 3.28Å; G32-Y233 WeakPolarHBondContact CA-OH 3.42Å
33E82.5Confident86.6Confident89 Ų8951.9 Ų51.942%0.41626%0.258SS..Hα-helixtrans-67.3-22177.1-74.3-176.2171.600113I29 F36 R38 A41I29-E33 HydrophobicContact CG2-CG 4.37Å; I29-E33 WeakPolarHBondContact O-CB 3.48Å; I29-E33 WeakPolarHBondContact O-CG 3.35Å; I29-E33 PolarHBondContact O-N 2.59Å; E33-F36 CarbonylContact C-O 3.45Å; E33-R38 HydrophobicContact CG-CG 4.5Å; E33-R38 IonicContact OE1-NE 3.63Å; E33-A41 HydrophobicContact CB-CB 4.36Å; E33-A41 HydrophobicContact CG-CB 3.62Å
34L86.2Confident86.4Confident136 Ų13648.2 Ų48.271%0.71224%0.239SC*.Hα-helixtrans-76.9-31.4176.2-174.466.6000112.5F30 I31 G32F30-L34 PolarHBondContact O-N 3.04Å; I31-L34 WeakPolarHBondContact O-CB 3.36Å; I31-L34 PolarHBondContact O-N 3.4Å; G32-L34 PolarHBondContact O-N 3.03Å
35I87.1Confident86.3Confident93 Ų9348.3 Ų48.348%0.47724%0.239SC..Hα-helixtrans-104.5-35.5-172.6-61.5172.4000111.7I31 G32 F232I31-I35 HydrophobicContact CG2-CD1 3.87Å; I31-I35 PolarHBondContact O-N 3.04Å; G32-I35 PolarHBondContact O-N 2.56Å; I35-F232 HydrophobicContact CD1-CD2 4.22Å; I35-F232 HydrophobicContact CD1-CE2 3.36Å; I35-F232 HydrophobicContact CD1-CZ 3.63Å
36F87.6Confident86Confident43 Ų4348.7 Ų48.719%0.18924%0.243CC..SBendtrans-123170.9-176.4-57.1-77.4000111G32 E33 I40 P229 F232 Y233G32-F36 WeakPolarHBondContact O-CA 3.38Å; G32-F36 WeakPolarHBondContact O-CB 3.44Å; G32-F36 PolarHBondContact O-N 3.3Å; E33-F36 CarbonylContact C-O 3.45Å; F36-I40 HydrophobicContact CB-CB 3.92Å; F36-I40 HydrophobicContact CB-CD1 4.37Å; F36-I40 HydrophobicContact CB-CG2 3.79Å; F36-I40 HydrophobicContact CD1-CD1 4.44Å; F36-I40 HydrophobicContact CD1-CG2 4.22Å; F36-I40 HydrophobicContact CD2-CG2 4.45Å; F36-I40 HydrophobicContact CG-CG2 3.9Å; F36-P229 HydrophobicContact CE1-CB 4.21Å; F36-P229 HydrophobicContact CE1-CG 3.89Å; F36-P229 HydrophobicContact CZ-CB 4.32Å; F36-P229 HydrophobicContact CZ-CG 4.39Å; F36-F232 HydrophobicContact CD2-CD1 4.31Å; F36-F232 HydrophobicContact CD2-CE1 4.37Å; F36-F232 HydrophobicContact CE2-CB 4.27Å; F36-F232 AromaticContact CE2-CD1 3.43Å; F36-F232 HydrophobicContact CE2-CD1 3.43Å; F36-F232 VanDerWaalsContact CE2-CD1 3.43Å; F36-F232 HydrophobicContact CE2-CD2 4.41Å; F36-F232 AromaticContact CE2-CE1 3.82Å; F36-F232 HydrophobicContact CE2-CE1 3.82Å; F36-F232 AromaticContact CE2-CG 3.76Å; F36-F232 HydrophobicContact CE2-CG 3.76Å; F36-F232 HydrophobicContact CE2-CZ 4.47Å; F36-F232 HydrophobicContact CZ-CB 4.25Å; F36-F232 HydrophobicContact CZ-CD1 4.23Å; F36-F232 HydrophobicContact CZ-CG 4.19Å; F36-Y233 HydrophobicContact CD2-CE2 4.12Å; F36-Y233 HydrophobicContact CE2-CE2 4.18Å
37D82.6Confident85.9Confident28 Ų2845.3 Ų45.315%0.1522%0.222CC..  trans-67.1160.317070.982.2000111.7N39 I40 A41D37-N39 PolarHBondContact O-N 3.16Å; D37-N39 WeakPolarHBondContact OD1-CA 3.25Å; D37-N39 VanDerWaalsContact OD1-CB 3.28Å; D37-N39 WeakPolarHBondContact OD1-CB 3.47Å; D37-N39 PolarHBondContact OD1-N 3.01Å; D37-I40 PolarHBondContact O-N 2.8Å; D37-I40 PolarHBondContact OD1-N 3.46Å; D37-I40 WeakPolarHBondContact OD2-CD1 3.28Å; D37-I40 WeakPolarHBondContact OD2-CG1 3.17Å; D37-A41 PolarHBondContact O-N 3.17Å
38R79.9Confident85.8Confident122 Ų12242.8 Ų42.846%0.4621%0.21SC..Hα-helixtrans-59.2-32.7-175.9-177.2169.2178.1-142.3-11.8113.4E33 A41 V42E33-R38 HydrophobicContact CG-CG 4.5Å; E33-R38 IonicContact OE1-NE 3.63Å; R38-A41 PolarHBondContact O-N 3.14Å; R38-V42 HydrophobicContact CG-CG2 4.49Å; R38-V42 WeakPolarHBondContact O-CG2 3.41Å; R38-V42 PolarHBondContact O-N 3.43Å
39N81.5Confident85.5Confident47 Ų4743 Ų4325%0.25121%0.211SC..Hα-helixtrans-72.1-43.2-178.9-60.5-33.4000110.3D37 A41 V42 A43 D71 L72 L80D37-N39 PolarHBondContact O-N 3.16Å; D37-N39 WeakPolarHBondContact OD1-CA 3.25Å; D37-N39 VanDerWaalsContact OD1-CB 3.28Å; D37-N39 WeakPolarHBondContact OD1-CB 3.47Å; D37-N39 PolarHBondContact OD1-N 3.01Å; N39-A41 VanDerWaalsContact C-N 3.31Å; N39-A41 PolarHBondContact O-N 3.48Å; N39-V42 PolarHBondContact O-N 3.41Å; N39-A43 WeakPolarHBondContact O-CB 3.22Å; N39-A43 PolarHBondContact O-N 3.03Å; N39-D71 PolarHBondContact ND2-O 2.77Å; N39-L72 WeakPolarHBondContact ND2-CA 3.28Å; N39-L72 PolarHBondContact ND2-O 3.29Å; N39-L80 HydrophobicContact CB-CD1 4.31Å; N39-L80 HydrophobicContact CB-CD2 3.77Å
40I85.6Confident85.2Confident6 Ų641 Ų413%0.03120%0.202CC..Hα-helixtrans-61.7-41.1171.5-62.4176.9000110.7F36 D37 V42 A43 G44 L75 L80 F83 Y233F36-I40 HydrophobicContact CB-CB 3.92Å; F36-I40 HydrophobicContact CB-CD1 4.37Å; F36-I40 HydrophobicContact CB-CG2 3.79Å; F36-I40 HydrophobicContact CD1-CD1 4.44Å; F36-I40 HydrophobicContact CD1-CG2 4.22Å; F36-I40 HydrophobicContact CD2-CG2 4.45Å; F36-I40 HydrophobicContact CG-CG2 3.9Å; D37-I40 PolarHBondContact O-N 2.8Å; D37-I40 PolarHBondContact OD1-N 3.46Å; D37-I40 WeakPolarHBondContact OD2-CD1 3.28Å; D37-I40 WeakPolarHBondContact OD2-CG1 3.17Å; I40-V42 PolarHBondContact O-N 3.3Å; I40-A43 PolarHBondContact O-N 2.74Å; I40-G44 PolarHBondContact O-N 2.58Å; I40-L75 HydrophobicContact CD1-CD1 3.69Å; I40-L75 HydrophobicContact CD1-CG 3.7Å; I40-L75 HydrophobicContact CG1-CD1 3.73Å; I40-L75 HydrophobicContact CG1-CG 4.15Å; I40-L80 HydrophobicContact CG1-CD1 4.18Å; I40-F83 HydrophobicContact CG2-CE1 3.83Å; I40-F83 HydrophobicContact CG2-CZ 4.06Å; I40-Y233 HydrophobicContact CG2-CE2 4.09Å
41A85Confident84.7Confident0 Ų035.4 Ų35.40%019%0.186CC..Hα-helixtrans-58.6-48.317900000113.2E33 D37 R38 N39 T45 Y233E33-A41 HydrophobicContact CB-CB 4.36Å; E33-A41 HydrophobicContact CG-CB 3.62Å; D37-A41 PolarHBondContact O-N 3.17Å; R38-A41 PolarHBondContact O-N 3.14Å; N39-A41 VanDerWaalsContact C-N 3.31Å; N39-A41 PolarHBondContact O-N 3.48Å; A41-T45 VanDerWaalsContact O-CB 3.28Å; A41-T45 WeakPolarHBondContact O-CB 3.41Å; A41-T45 PolarHBondContact O-N 2.98Å; A41-T45 VanDerWaalsContact O-N 3.09Å; A41-T45 PolarHBondContact O-OG1 3.37Å; A41-Y233 VanDerWaalsContact CA-OH 3.26Å; A41-Y233 WeakPolarHBondContact CA-OH 3.32Å
42V82.9Confident84Confident66 Ų6637.2 Ų37.240%0.420%0.2SC..Hα-helixtrans-67.6-47.9176.9173.80000110.5R38 N39 I40 T45 A46R38-V42 HydrophobicContact CG-CG2 4.49Å; R38-V42 WeakPolarHBondContact O-CG2 3.41Å; R38-V42 PolarHBondContact O-N 3.43Å; N39-V42 PolarHBondContact O-N 3.41Å; I40-V42 PolarHBondContact O-N 3.3Å; V42-T45 PolarHBondContact O-N 2.93Å; V42-A46 WeakPolarHBondContact O-CB 3.48Å; V42-A46 PolarHBondContact O-N 3.47Å
43A84.7Confident83.1Confident1 Ų141.7 Ų41.71%0.00822%0.223CC..Hα-helixtrans-59.1-50.9-179.700000111.9N39 I40 A46 S47 V58 L80 F83 P84N39-A43 WeakPolarHBondContact O-CB 3.22Å; N39-A43 PolarHBondContact O-N 3.03Å; I40-A43 PolarHBondContact O-N 2.74Å; A43-A46 PolarHBondContact O-N 2.98Å; A43-S47 WeakPolarHBondContact O-CB 3.07Å; A43-S47 PolarHBondContact O-N 3.33Å; A43-S47 PolarHBondContact O-OG 3Å; A43-V58 HydrophobicContact CB-CG1 3.93Å; A43-L80 HydrophobicContact CB-CD1 4.04Å; A43-F83 HydrophobicContact CB-CD1 3.96Å; A43-F83 HydrophobicContact CB-CE1 4.16Å; A43-P84 HydrophobicContact CB-CG 3.91Å
44G89.5Confident82.7Confident0 Ų037.6 Ų37.60%020%0.204CC..Hα-helixtrans-64.1-44.2-179.900000112.4I40 S47 I48I40-G44 PolarHBondContact O-N 2.58Å; G44-S47 WeakPolarHBondContact O-CB 3.46Å; G44-S47 PolarHBondContact O-N 2.6Å; G44-S47 VanDerWaalsContact O-N 3.13Å; G44-I48 PolarHBondContact O-N 3.26Å; G44-I48 VanDerWaalsContact O-N 3.09Å
45T88.8Confident82.3Confident2 Ų231.3 Ų31.31%0.01217%0.172CC..Hα-helixtrans-65.5-45.3177-55.70000112.1T25 L28 I29 A41 V42 S47 I48 T49T25-T45 HydrophobicContact CG2-CG2 4.08Å; L28-T45 HydrophobicContact CB-CG2 3.68Å; L28-T45 WeakPolarHBondContact CB-OG1 3.11Å; L28-T45 HydrophobicContact CD1-CG2 4.31Å; I29-T45 HydrophobicContact CD1-CG2 4.43Å; I29-T45 HydrophobicContact CG1-CG2 3.85Å; I29-T45 PolarHBondContact N-OG1 3.16Å; A41-T45 VanDerWaalsContact O-CB 3.28Å; A41-T45 WeakPolarHBondContact O-CB 3.41Å; A41-T45 PolarHBondContact O-N 2.98Å; A41-T45 VanDerWaalsContact O-N 3.09Å; A41-T45 PolarHBondContact O-OG1 3.37Å; V42-T45 PolarHBondContact O-N 2.93Å; T45-S47 PolarHBondContact O-N 3.37Å; T45-I48 PolarHBondContact O-N 3.44Å; T45-T49 HydrophobicContact CG2-CG2 4.03Å; T45-T49 WeakPolarHBondContact O-CB 3.33Å; T45-T49 WeakPolarHBondContact O-CG2 3.46Å; T45-T49 PolarHBondContact O-N 2.85Å; T45-T49 PolarHBondContact O-OG1 3.39Å
46A84Confident81.6Confident13 Ų1330.5 Ų30.511%0.10717%0.168CC..Hα-helixtrans-60.2-27174.800000111.1V42 A43 G50 V58V42-A46 WeakPolarHBondContact O-CB 3.48Å; V42-A46 PolarHBondContact O-N 3.47Å; A43-A46 PolarHBondContact O-N 2.98Å; A46-G50 WeakPolarHBondContact O-CA 3.34Å; A46-G50 PolarHBondContact O-N 2.92Å; A46-V58 HydrophobicContact CB-CG2 3.92Å
47S85.2Confident80.8Confident0 Ų031.9 Ų31.90%018%0.176CC..Hα-helixtrans-79.7-38.8179.3-53.60000113A43 G44 T45 P84 I87 K91A43-S47 WeakPolarHBondContact O-CB 3.07Å; A43-S47 PolarHBondContact O-N 3.33Å; A43-S47 PolarHBondContact O-OG 3Å; G44-S47 WeakPolarHBondContact O-CB 3.46Å; G44-S47 PolarHBondContact O-N 2.6Å; G44-S47 VanDerWaalsContact O-N 3.13Å; T45-S47 PolarHBondContact O-N 3.37Å; S47-P84 WeakPolarHBondContact OG-CA 3.45Å; S47-P84 WeakPolarHBondContact OG-CB 3.18Å; S47-P84 PolarHBondContact OG-O 3.25Å; S47-I87 VanDerWaalsContact CB-CG2 3.47Å; S47-K91 VanDerWaalsContact O-CD 3.3Å; S47-K91 WeakPolarHBondContact O-CD 3.39Å; S47-K91 VanDerWaalsContact O-CE 3.28Å; S47-K91 WeakPolarHBondContact O-CE 3.28Å; S47-K91 PolarHBondContact O-NZ 3.19Å
48I89.5Confident80.6Confident1 Ų131.5 Ų31.51%0.00517%0.174CC..Hα-helixtrans-71.6-44.8177-61.9-67.1000110.8M24 L28 G44 T45 I87 K91 Y233 L234 L267M24-I48 HydrophobicContact CE-CG2 3.64Å; M24-I48 HydrophobicContact SD-CG2 3.77Å; L28-I48 HydrophobicContact CD1-CB 4Å; L28-I48 HydrophobicContact CD1-CG1 4.37Å; L28-I48 HydrophobicContact CD1-CG2 3.94Å; G44-I48 PolarHBondContact O-N 3.26Å; G44-I48 VanDerWaalsContact O-N 3.09Å; T45-I48 PolarHBondContact O-N 3.44Å; I48-I87 HydrophobicContact CD1-CG2 3.41Å; I48-I87 VanDerWaalsContact CD1-CG2 3.41Å; I48-I87 HydrophobicContact CG1-CG2 3.98Å; I48-K91 HydrophobicContact CD1-CB 4.46Å; I48-K91 PolarHBondContact O-NZ 2.86Å; I48-Y233 WeakPolarHBondContact CD1-O 3.29Å; I48-L234 HydrophobicContact CD1-CD2 3.85Å; I48-L234 HydrophobicContact CD1-CG 4.49Å; I48-L267 HydrophobicContact CG2-CD2 4.07Å
49T86Confident80.6Confident4 Ų427.8 Ų27.83%0.02516%0.162CC..Hα-helixtrans-78.1-37.7-179.960.30000111.9M24 T25 T45 T313M24-T49 HydrophobicContact CE-CG2 3.32Å; T25-T49 WeakPolarHBondContact OG1-CG2 3.28Å; T45-T49 HydrophobicContact CG2-CG2 4.03Å; T45-T49 WeakPolarHBondContact O-CB 3.33Å; T45-T49 WeakPolarHBondContact O-CG2 3.46Å; T45-T49 PolarHBondContact O-N 2.85Å; T45-T49 PolarHBondContact O-OG1 3.39Å; T49-T313 WeakPolarHBondContact O-CB 3.47Å; T49-T313 WeakPolarHBondContact O-CG2 3.39Å; T49-T313 PolarHBondContact O-OG1 3.18Å
50G79.2Confident80.2Confident5 Ų531.7 Ų31.75%0.05218%0.179CC..  trans-75.1167.1-169.500000117.9A46 S54 K91A46-G50 WeakPolarHBondContact O-CA 3.34Å; A46-G50 PolarHBondContact O-N 2.92Å; G50-S54 VanDerWaalsContact CA-OG 3.27Å; G50-S54 WeakPolarHBondContact CA-OG 3.47Å; G50-K91 PolarHBondContact O-NZ 3.22Å
51G76.3Confident79.4Confident31 Ų3134.5 Ų34.532%0.3219%0.191SC..  trans-107.9-165.7159.800000111.4L53 S54 I55G51-L53 PolarHBondContact O-N 3.23Å; G51-S54 PolarHBondContact N-OG 3.2Å; G51-S54 WeakPolarHBondContact O-CB 3.46Å; G51-S54 PolarHBondContact O-N 2.78Å; G51-S54 VanDerWaalsContact O-N 3.07Å; G51-I55 PolarHBondContact O-N 2.85Å
52T73.5Confident78.9Confident94 Ų9434.8 Ų34.858%0.57719%0.192SC*.Hα-helixtrans-52.7-40.2177.3-47.80000112.9S54 I55 L56T52-S54 PolarHBondContact O-N 2.94Å; T52-I55 PolarHBondContact O-N 3.39Å; T52-L56 HydrophobicContact CG2-CD1 4.35Å; T52-L56 HydrophobicContact CG2-CG 4.49Å; T52-L56 WeakPolarHBondContact O-CG 3.42Å; T52-L56 PolarHBondContact O-N 2.61Å
53L67.6Low78.4Confident94 Ų9435.3 Ų35.349%0.49219%0.193SC..Hα-helixtrans-61-42.7178.2-71173000112.6G51 I55 L56 M57G51-L53 PolarHBondContact O-N 3.23Å; L53-I55 PolarHBondContact O-N 3.28Å; L53-L56 PolarHBondContact O-N 2.92Å; L53-M57 WeakPolarHBondContact O-CG 3.38Å; L53-M57 PolarHBondContact O-N 2.99Å
54S73.7Confident77.3Confident3 Ų338 Ų382%0.02121%0.206CC..Hα-helixtrans-62.9-34.9178.9-45.10000111.3G50 G51 T52 V58 T317G50-S54 VanDerWaalsContact CA-OG 3.27Å; G50-S54 WeakPolarHBondContact CA-OG 3.47Å; G51-S54 PolarHBondContact N-OG 3.2Å; G51-S54 WeakPolarHBondContact O-CB 3.46Å; G51-S54 PolarHBondContact O-N 2.78Å; G51-S54 VanDerWaalsContact O-N 3.07Å; T52-S54 PolarHBondContact O-N 2.94Å; S54-V58 WeakPolarHBondContact O-CG2 3.47Å; S54-V58 PolarHBondContact O-N 3.11Å; S54-V58 VanDerWaalsContact O-N 3.13Å; S54-T317 WeakPolarHBondContact OG-CB 3.45Å; S54-T317 WeakPolarHBondContact OG-CG2 3.15Å; S54-T317 PolarHBondContact OG-OG1 2.94Å
55I77.5Confident76.2Confident5 Ų540 Ų403%0.02622%0.216CC..Hα-helixtrans-72.8-44.1177.6-64.9168.7000111G51 T52 L53 M57 V58 Q59 P84 L88G51-I55 PolarHBondContact O-N 2.85Å; T52-I55 PolarHBondContact O-N 3.39Å; L53-I55 PolarHBondContact O-N 3.28Å; I55-M57 VanDerWaalsContact C-N 3.26Å; I55-M57 PolarHBondContact O-N 3.43Å; I55-V58 PolarHBondContact O-N 3.43Å; I55-V58 VanDerWaalsContact O-N 3.11Å; I55-Q59 HydrophobicContact CG2-CG 4.3Å; I55-Q59 WeakPolarHBondContact O-CG 3.2Å; I55-Q59 PolarHBondContact O-N 3.26Å; I55-P84 HydrophobicContact CB-CB 4.34Å; I55-P84 HydrophobicContact CG1-CB 3.93Å; I55-P84 HydrophobicContact CG2-CB 3.88Å; I55-L88 HydrophobicContact CD1-CB 3.37Å; I55-L88 HydrophobicContact CD1-CD1 4.34Å; I55-L88 HydrophobicContact CD1-CD2 3.23Å; I55-L88 HydrophobicContact CD1-CG 3.76Å
56L74.1Confident75.2Confident76 Ų7644.7 Ų44.740%0.39824%0.237SC..Hα-helixtrans-57.4-43.3174.9-69.6173.4000110.7T52 L53 V58 Q59 E60T52-L56 HydrophobicContact CG2-CD1 4.35Å; T52-L56 HydrophobicContact CG2-CG 4.49Å; T52-L56 WeakPolarHBondContact O-CG 3.42Å; T52-L56 PolarHBondContact O-N 2.61Å; L53-L56 PolarHBondContact O-N 2.92Å; L56-V58 PolarHBondContact O-N 2.88Å; L56-Q59 PolarHBondContact O-N 3.37Å; L56-E60 WeakPolarHBondContact O-CB 3.3Å; L56-E60 VanDerWaalsContact O-CG 3.3Å; L56-E60 WeakPolarHBondContact O-CG 3.28Å; L56-E60 PolarHBondContact O-N 3.38Å
57M69.9Low74.3Confident72 Ų7250.5 Ų50.536%0.35527%0.267SS..Hα-helixtrans-60.7-41.8174.9-73170.815600112.7L53 I55 K61 T317L53-M57 WeakPolarHBondContact O-CG 3.38Å; L53-M57 PolarHBondContact O-N 2.99Å; I55-M57 VanDerWaalsContact C-N 3.26Å; I55-M57 PolarHBondContact O-N 3.43Å; M57-K61 WeakPolarHBondContact O-CB 3.22Å; M57-K61 PolarHBondContact O-N 3.31Å; M57-T317 VanDerWaalsContact SD-O 3.32Å
58V78.6Confident73.3Confident19 Ų1953.7 Ų53.712%0.11529%0.293CS..Hα-helixtrans-64.9-44.2174.9172.10000110.7A43 A46 S54 I55 L56 K61 V62 P84A43-V58 HydrophobicContact CB-CG1 3.93Å; A46-V58 HydrophobicContact CB-CG2 3.92Å; S54-V58 WeakPolarHBondContact O-CG2 3.47Å; S54-V58 PolarHBondContact O-N 3.11Å; S54-V58 VanDerWaalsContact O-N 3.13Å; I55-V58 PolarHBondContact O-N 3.43Å; I55-V58 VanDerWaalsContact O-N 3.11Å; L56-V58 PolarHBondContact O-N 2.88Å; V58-K61 PolarHBondContact O-N 3.05Å; V58-V62 HydrophobicContact CG1-CG2 4.3Å; V58-V62 VanDerWaalsContact O-CG2 3.27Å; V58-V62 WeakPolarHBondContact O-CG2 3.49Å; V58-V62 PolarHBondContact O-N 2.88Å; V58-P84 HydrophobicContact CB-CG 4.47Å; V58-P84 HydrophobicContact CG1-CG 3.82Å
59Q79Confident71.9Confident45 Ų4556.9 Ų56.921%0.2133%0.327CS..Hα-helixtrans-63.7-44.7179.1-73177.2-28.400112.3I55 L56 K61 V62 N63 A81I55-Q59 HydrophobicContact CG2-CG 4.3Å; I55-Q59 WeakPolarHBondContact O-CG 3.2Å; I55-Q59 PolarHBondContact O-N 3.26Å; L56-Q59 PolarHBondContact O-N 3.37Å; Q59-K61 VanDerWaalsContact C-N 3.28Å; Q59-K61 PolarHBondContact O-N 3.33Å; Q59-V62 PolarHBondContact O-N 2.92Å; Q59-N63 WeakPolarHBondContact O-CB 3.06Å; Q59-N63 VanDerWaalsContact O-CG 3.26Å; Q59-N63 PolarHBondContact O-N 3.36Å; Q59-N63 PolarHBondContact O-ND2 3.14Å; Q59-A81 HydrophobicContact CG-CB 4.37Å; Q59-A81 WeakPolarHBondContact CG-O 3.22Å; Q59-A81 PolarHBondContact NE2-O 3.5Å
60E73Confident70.9Confident128 Ų12858.4 Ų58.460%0.59834%0.343SS*.Hα-helixtrans-56.9-44.4172.7-75.3172.2-179.700110.7L56 N63 E64L56-E60 WeakPolarHBondContact O-CB 3.3Å; L56-E60 VanDerWaalsContact O-CG 3.3Å; L56-E60 WeakPolarHBondContact O-CG 3.28Å; L56-E60 PolarHBondContact O-N 3.38Å; E60-N63 PolarHBondContact O-N 2.87Å; E60-E64 WeakPolarHBondContact O-CB 3.11Å; E60-E64 PolarHBondContact O-N 3.28Å
61K70.5Confident70.4Confident65 Ų6564.9 Ų64.928%0.28338%0.376SS..Hα-helixtrans-67.5-39.3178.3-162.973.4-159.5168.40113.3M57 V58 Q59 E64 I65M57-K61 WeakPolarHBondContact O-CB 3.22Å; M57-K61 PolarHBondContact O-N 3.31Å; V58-K61 PolarHBondContact O-N 3.05Å; Q59-K61 VanDerWaalsContact C-N 3.28Å; Q59-K61 PolarHBondContact O-N 3.33Å; K61-E64 WeakPolarHBondContact CD-OE2 3.43Å; K61-E64 WeakPolarHBondContact CE-OE2 3.34Å; K61-E64 IonicContact NZ-OE1 3.44Å; K61-E64 PolarHBondContact NZ-OE1 2.83Å; K61-E64 IonicContact NZ-OE2 3.53Å; K61-E64 PolarHBondContact NZ-OE2 3.14Å; K61-E64 WeakPolarHBondContact O-CB 3.49Å; K61-E64 PolarHBondContact O-N 3.45Å; K61-I65 HydrophobicContact CG-CD1 4.17Å; K61-I65 VanDerWaalsContact O-CG1 3.27Å; K61-I65 WeakPolarHBondContact O-CG1 3.07Å; K61-I65 PolarHBondContact O-N 3.49Å
62V74Confident70.2Confident6 Ų664.3 Ų64.34%0.03637%0.366CS..Hα-helixtrans-61.4-46.6174.8169.10000110.2V58 Q59 E64 I65 Q66 L72 S77 L80 A81V58-V62 HydrophobicContact CG1-CG2 4.3Å; V58-V62 VanDerWaalsContact O-CG2 3.27Å; V58-V62 WeakPolarHBondContact O-CG2 3.49Å; V58-V62 PolarHBondContact O-N 2.88Å; Q59-V62 PolarHBondContact O-N 2.92Å; V62-E64 VanDerWaalsContact C-N 3.33Å; V62-E64 PolarHBondContact O-N 3.15Å; V62-I65 PolarHBondContact O-N 3.4Å; V62-Q66 WeakPolarHBondContact O-CB 3.22Å; V62-Q66 PolarHBondContact O-N 3.12Å; V62-L72 HydrophobicContact CG1-CD2 4.08Å; V62-S77 WeakPolarHBondContact CG1-OG 3.29Å; V62-L80 HydrophobicContact CG1-CD2 4.45Å; V62-L80 HydrophobicContact CG2-CB 4.46Å; V62-L80 HydrophobicContact CG2-CD2 3.72Å; V62-L80 HydrophobicContact CG2-CG 3.75Å; V62-A81 HydrophobicContact CG1-CB 4.11Å
63N71.5Confident70.2Confident77 Ų7761.4 Ų61.441%0.41235%0.354SS..Hα-helixtrans-61.9-40.1175.8-70-26.9000111.8Q59 E60 Q66 N67Q59-N63 WeakPolarHBondContact O-CB 3.06Å; Q59-N63 VanDerWaalsContact O-CG 3.26Å; Q59-N63 PolarHBondContact O-N 3.36Å; Q59-N63 PolarHBondContact O-ND2 3.14Å; E60-N63 PolarHBondContact O-N 2.87Å; N63-Q66 PolarHBondContact O-N 2.64Å; N63-N67 WeakPolarHBondContact O-CB 3.36Å; N63-N67 VanDerWaalsContact O-CG 3.23Å; N63-N67 PolarHBondContact O-N 3.05Å; N63-N67 PolarHBondContact O-ND2 3.4Å
64E62.9Low70.7Confident59 Ų5963.6 Ų63.628%0.27637%0.365SS..Hα-helixtrans-61.5-48.8175.5-171.8-164.914200111.6E60 K61 V62 Q66 N67 A68 K388E60-E64 WeakPolarHBondContact O-CB 3.11Å; E60-E64 PolarHBondContact O-N 3.28Å; K61-E64 WeakPolarHBondContact CD-OE2 3.43Å; K61-E64 WeakPolarHBondContact CE-OE2 3.34Å; K61-E64 IonicContact NZ-OE1 3.44Å; K61-E64 PolarHBondContact NZ-OE1 2.83Å; K61-E64 IonicContact NZ-OE2 3.53Å; K61-E64 PolarHBondContact NZ-OE2 3.14Å; K61-E64 WeakPolarHBondContact O-CB 3.49Å; K61-E64 PolarHBondContact O-N 3.45Å; V62-E64 VanDerWaalsContact C-N 3.33Å; V62-E64 PolarHBondContact O-N 3.15Å; E64-Q66 VanDerWaalsContact C-N 3.31Å; E64-Q66 PolarHBondContact O-N 3.04Å; E64-N67 PolarHBondContact O-N 3.38Å; E64-A68 WeakPolarHBondContact O-CB 3.41Å; E64-A68 PolarHBondContact O-N 3.19Å; E64-K388 IonicContact OE1-NZ 2.94Å; E64-K388 PolarHBondContact OE1-NZ 2.91Å
65I66.6Low71Confident42 Ų4264.8 Ų64.822%0.21537%0.371CS..Hα-helixtrans-62.6-41.3178.7-65.7165.1000110.3K61 V62 A68 G69 G70 L72K61-I65 HydrophobicContact CG-CD1 4.17Å; K61-I65 VanDerWaalsContact O-CG1 3.27Å; K61-I65 WeakPolarHBondContact O-CG1 3.07Å; K61-I65 PolarHBondContact O-N 3.49Å; V62-I65 PolarHBondContact O-N 3.4Å; I65-A68 PolarHBondContact O-N 3.23Å; I65-G69 PolarHBondContact O-N 2.95Å; I65-G70 PolarHBondContact O-N 3.48Å; I65-L72 HydrophobicContact CB-CD2 3.81Å; I65-L72 HydrophobicContact CB-CG 4.47Å; I65-L72 HydrophobicContact CD1-CD2 4.4Å; I65-L72 HydrophobicContact CG2-CD2 3.58Å; I65-L72 HydrophobicContact CG2-CG 3.79Å
66Q67.7Low71Confident99 Ų9967.4 Ų67.446%0.46339%0.39SS..Hα-helixtrans-61.1-49.2176.7-175.1179.9-7.200111.9V62 N63 E64 A68 G69 L72 S77V62-Q66 WeakPolarHBondContact O-CB 3.22Å; V62-Q66 PolarHBondContact O-N 3.12Å; N63-Q66 PolarHBondContact O-N 2.64Å; E64-Q66 VanDerWaalsContact C-N 3.31Å; E64-Q66 PolarHBondContact O-N 3.04Å; Q66-A68 PolarHBondContact O-N 2.9Å; Q66-G69 PolarHBondContact O-N 2.63Å; Q66-L72 HydrophobicContact CB-CD1 4.07Å; Q66-S77 VanDerWaalsContact OE1-CB 3.29Å; Q66-S77 PolarHBondContact OE1-OG 3.31Å
67N63.6Low71.1Confident135 Ų13564.6 Ų64.672%0.72238%0.377SS*.Hα-helixtrans-63.7-29.3179.5-71.9-26.5000112.2N63 E64 G69N63-N67 WeakPolarHBondContact O-CB 3.36Å; N63-N67 VanDerWaalsContact O-CG 3.23Å; N63-N67 PolarHBondContact O-N 3.05Å; N63-N67 PolarHBondContact O-ND2 3.4Å; E64-N67 PolarHBondContact O-N 3.38Å; N67-G69 VanDerWaalsContact C-N 3.28Å
68A64.2Low71.6Confident67 Ų6767.5 Ų67.555%0.55439%0.385SS*.THydrogen-bonded Turntrans-80.8-2.8174.600000114.1E64 I65 Q66 G70E64-A68 WeakPolarHBondContact O-CB 3.41Å; E64-A68 PolarHBondContact O-N 3.19Å; I65-A68 PolarHBondContact O-N 3.23Å; Q66-A68 PolarHBondContact O-N 2.9Å; A68-G70 VanDerWaalsContact C-N 3.26Å; A68-G70 PolarHBondContact O-N 2.91Å
69G59.6Low71.9Confident69 Ų6968 Ų6871%0.71139%0.386SS*.THydrogen-bonded Turntrans66.326.1-174.700000113.6I65 Q66 N67I65-G69 PolarHBondContact O-N 2.95Å; Q66-G69 PolarHBondContact O-N 2.63Å; N67-G69 VanDerWaalsContact C-N 3.28Å
70G65Low72.1Confident36 Ų3665.9 Ų65.937%0.37138%0.377SS..  trans-77.6161.5-179.900000113.3I65 A68 L72I65-G70 PolarHBondContact O-N 3.48Å; A68-G70 VanDerWaalsContact C-N 3.26Å; A68-G70 PolarHBondContact O-N 2.91Å; G70-L72 PolarHBondContact O-N 2.82Å
71D70.4Confident72.5Confident140 Ų14060.5 Ų60.575%0.74935%0.354SS*.  trans-74.8118.1175.1-175.311.6000110.7N39 G73N39-D71 PolarHBondContact ND2-O 2.77Å; D71-G73 PolarHBondContact OD1-N 2.81Å
72L70.9Confident73.2Confident20 Ų2058.6 Ų58.611%0.10535%0.348CS..  trans-93.6-0.5178.9-73.6159.7000112.4N39 V62 I65 Q66 G70 L80N39-L72 WeakPolarHBondContact ND2-CA 3.28Å; N39-L72 PolarHBondContact ND2-O 3.29Å; V62-L72 HydrophobicContact CG1-CD2 4.08Å; I65-L72 HydrophobicContact CB-CD2 3.81Å; I65-L72 HydrophobicContact CB-CG 4.47Å; I65-L72 HydrophobicContact CD1-CD2 4.4Å; I65-L72 HydrophobicContact CG2-CD2 3.58Å; I65-L72 HydrophobicContact CG2-CG 3.79Å; Q66-L72 HydrophobicContact CB-CD1 4.07Å; G70-L72 PolarHBondContact O-N 2.82Å; L72-L80 HydrophobicContact CB-CD2 4.41Å; L72-L80 HydrophobicContact CD2-CD2 3.9Å
73G74.7Confident73.9Confident32 Ų3258.3 Ų58.333%0.3335%0.346SS..  trans85.1-145.8179.700000112.5D71D71-G73 PolarHBondContact OD1-N 2.81Å
74I77.5Confident74.7Confident141 Ų14154.6 Ų54.672%0.72333%0.326SS*.SBendtrans-79.1-31.9-167.7-56.3171.5000111.8
75L79.1Confident75.8Confident27 Ų2754.2 Ų54.214%0.14133%0.326CS..SBendtrans-82.7147.3178.9-66.8179.5000111.2I40 L79 L80 L226I40-L75 HydrophobicContact CD1-CD1 3.69Å; I40-L75 HydrophobicContact CD1-CG 3.7Å; I40-L75 HydrophobicContact CG1-CD1 3.73Å; I40-L75 HydrophobicContact CG1-CG 4.15Å; L75-L79 HydrophobicContact CB-CB 4.25Å; L75-L79 HydrophobicContact CD2-CB 4.36Å; L75-L79 HydrophobicContact CD2-CD1 4.35Å; L75-L80 HydrophobicContact CB-CB 4.2Å; L75-L80 HydrophobicContact CD1-CD1 4.36Å; L75-L226 HydrophobicContact CD1-CD2 3.8Å; L75-L226 HydrophobicContact CD2-CD2 3.83Å; L75-L226 HydrophobicContact CG-CD2 4.5Å
76S78.8Confident76.8Confident61 Ų6152.4 Ų52.443%0.42732%0.316SS..  trans-63154.8167.371.10000110.5Y78 L79 L80S76-Y78 PolarHBondContact O-N 3.19Å; S76-L79 PolarHBondContact O-N 2.86Å; S76-L79 WeakPolarHBondContact OG-CG 3.4Å; S76-L79 PolarHBondContact OG-N 3.3Å; S76-L80 PolarHBondContact O-N 2.96Å
77S75.7Confident77.9Confident17 Ų1747.7 Ų47.712%0.11929%0.294CS..Hα-helixtrans-52-44.2178.1-171.60000112.4V62 Q66 L80 A81V62-S77 WeakPolarHBondContact CG1-OG 3.29Å; Q66-S77 VanDerWaalsContact OE1-CB 3.29Å; Q66-S77 PolarHBondContact OE1-OG 3.31Å; S77-L80 PolarHBondContact O-N 3.22Å; S77-A81 WeakPolarHBondContact O-CB 3.46Å; S77-A81 PolarHBondContact O-N 3.06Å
78Y80.9Confident79Confident133 Ų13342 Ų4252%0.52226%0.264SS..Hα-helixtrans-59.1-50.4176.2173.2-99.3000112S76 L80 A81 V82 D222S76-Y78 PolarHBondContact O-N 3.19Å; Y78-L80 VanDerWaalsContact C-N 3.35Å; Y78-L80 PolarHBondContact O-N 3.48Å; Y78-A81 PolarHBondContact O-N 3.48Å; Y78-V82 HydrophobicContact CD2-CG2 4.16Å; Y78-V82 HydrophobicContact CE1-CG2 4.23Å; Y78-V82 HydrophobicContact CE2-CG2 3.72Å; Y78-V82 WeakPolarHBondContact O-CG2 3.47Å; Y78-V82 PolarHBondContact O-N 3.07Å; Y78-D222 PolarHBondContact OH-OD2 3.49Å
79L84.5Confident80Confident28 Ų2838.9 Ų38.915%0.14724%0.238CC..Hα-helixtrans-65.4-38.7-178.5-71.6177.2000111.9L75 S76 A81 V82 F83 L226L75-L79 HydrophobicContact CB-CB 4.25Å; L75-L79 HydrophobicContact CD2-CB 4.36Å; L75-L79 HydrophobicContact CD2-CD1 4.35Å; S76-L79 PolarHBondContact O-N 2.86Å; S76-L79 WeakPolarHBondContact OG-CG 3.4Å; S76-L79 PolarHBondContact OG-N 3.3Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-V82 PolarHBondContact O-N 3.21Å; L79-F83 WeakPolarHBondContact O-CA 2.86Å; L79-F83 WeakPolarHBondContact O-CB 3.36Å; L79-F83 PolarHBondContact O-N 2.67Å; L79-L226 HydrophobicContact CD2-CD1 4.19Å; L79-L226 HydrophobicContact CD2-CG 4.44Å
80L82.9Confident81.4Confident2 Ų237.3 Ų37.31%0.0121%0.213CC..Hα-helixtrans-67.4-34.2177-174.863.1000112.3N39 I40 A43 V62 L72 L75 S76 S77 Y78 P84N39-L80 HydrophobicContact CB-CD1 4.31Å; N39-L80 HydrophobicContact CB-CD2 3.77Å; I40-L80 HydrophobicContact CG1-CD1 4.18Å; A43-L80 HydrophobicContact CB-CD1 4.04Å; V62-L80 HydrophobicContact CG1-CD2 4.45Å; V62-L80 HydrophobicContact CG2-CB 4.46Å; V62-L80 HydrophobicContact CG2-CD2 3.72Å; V62-L80 HydrophobicContact CG2-CG 3.75Å; L72-L80 HydrophobicContact CB-CD2 4.41Å; L72-L80 HydrophobicContact CD2-CD2 3.9Å; L75-L80 HydrophobicContact CB-CB 4.2Å; L75-L80 HydrophobicContact CD1-CD1 4.36Å; S76-L80 PolarHBondContact O-N 2.96Å; S77-L80 PolarHBondContact O-N 3.22Å; Y78-L80 VanDerWaalsContact C-N 3.35Å; Y78-L80 PolarHBondContact O-N 3.48Å; L80-P84 WeakPolarHBondContact O-CD 3.49Å
81A80.8Confident82.5Confident14 Ų1435.8 Ų35.812%0.11620%0.196CC..Hα-helixtrans-72.8-35.2175.900000113Q59 V62 S77 Y78 L79Q59-A81 HydrophobicContact CG-CB 4.37Å; Q59-A81 WeakPolarHBondContact CG-O 3.22Å; Q59-A81 PolarHBondContact NE2-O 3.5Å; V62-A81 HydrophobicContact CG1-CB 4.11Å; S77-A81 WeakPolarHBondContact O-CB 3.46Å; S77-A81 PolarHBondContact O-N 3.06Å; Y78-A81 PolarHBondContact O-N 3.48Å; L79-A81 VanDerWaalsContact C-N 3.34Å
82V85.6Confident83.4Confident25 Ų2530.3 Ų30.315%0.15217%0.167CC..Hα-helixtrans-83.6-29.8179.5174.60000112.1Y78 L79 L85 L86Y78-V82 HydrophobicContact CD2-CG2 4.16Å; Y78-V82 HydrophobicContact CE1-CG2 4.23Å; Y78-V82 HydrophobicContact CE2-CG2 3.72Å; Y78-V82 WeakPolarHBondContact O-CG2 3.47Å; Y78-V82 PolarHBondContact O-N 3.07Å; L79-V82 PolarHBondContact O-N 3.21Å; V82-L85 WeakPolarHBondContact O-CB 3.19Å; V82-L85 PolarHBondContact O-N 3.19Å; V82-L86 HydrophobicContact CG1-CD1 4Å; V82-L86 HydrophobicContact CG1-CD2 4.49Å; V82-L86 HydrophobicContact CG1-CG 3.93Å; V82-L86 PolarHBondContact O-N 3.08Å; V82-L86 VanDerWaalsContact O-N 3.14Å
83F88.4Confident84.1Confident0 Ų033.1 Ų33.10%018%0.182CC..Hα-helixtrans-50.6-47.6-177.1166.4-116.7000114.1I40 A43 L79 L85 L86 I87 L226 P229 I230 Y233I40-F83 HydrophobicContact CG2-CE1 3.83Å; I40-F83 HydrophobicContact CG2-CZ 4.06Å; A43-F83 HydrophobicContact CB-CD1 3.96Å; A43-F83 HydrophobicContact CB-CE1 4.16Å; L79-F83 WeakPolarHBondContact O-CA 2.86Å; L79-F83 WeakPolarHBondContact O-CB 3.36Å; L79-F83 PolarHBondContact O-N 2.67Å; F83-L85 VanDerWaalsContact C-N 3.33Å; F83-L85 PolarHBondContact O-N 3.02Å; F83-L86 PolarHBondContact O-N 3.3Å; F83-I87 HydrophobicContact CD2-CD1 4.1Å; F83-I87 HydrophobicContact CD2-CG1 4.43Å; F83-I87 HydrophobicContact CE1-CD1 3.99Å; F83-I87 HydrophobicContact CE2-CD1 3.4Å; F83-I87 HydrophobicContact CE2-CG1 4.04Å; F83-I87 HydrophobicContact CZ-CD1 3.34Å; F83-I87 HydrophobicContact CZ-CG1 4.44Å; F83-I87 PolarHBondContact O-N 2.96Å; F83-L226 HydrophobicContact CB-CD1 3.89Å; F83-L226 HydrophobicContact CB-CD2 4.33Å; F83-L226 HydrophobicContact CD2-CB 4.42Å; F83-L226 HydrophobicContact CD2-CD1 4.29Å; F83-L226 HydrophobicContact CD2-CD2 4.11Å; F83-P229 HydrophobicContact CE2-CB 3.61Å; F83-P229 HydrophobicContact CZ-CB 3.92Å; F83-I230 HydrophobicContact CD2-CG1 4.01Å; F83-I230 HydrophobicContact CE2-CG1 3.86Å; F83-Y233 AromaticContact CZ-CD2 3.75Å; F83-Y233 HydrophobicContact CZ-CD2 3.75Å; F83-Y233 AromaticContact CZ-CE2 3.96Å; F83-Y233 HydrophobicContact CZ-CE2 3.96Å
84P87.9Confident84.9Confident0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-59.8-39.3175.9-31.838.6000115.6A43 S47 I55 V58 L80 I87 L88A43-P84 HydrophobicContact CB-CG 3.91Å; S47-P84 WeakPolarHBondContact OG-CA 3.45Å; S47-P84 WeakPolarHBondContact OG-CB 3.18Å; S47-P84 PolarHBondContact OG-O 3.25Å; I55-P84 HydrophobicContact CB-CB 4.34Å; I55-P84 HydrophobicContact CG1-CB 3.93Å; I55-P84 HydrophobicContact CG2-CB 3.88Å; V58-P84 HydrophobicContact CB-CG 4.47Å; V58-P84 HydrophobicContact CG1-CG 3.82Å; L80-P84 WeakPolarHBondContact O-CD 3.49Å; P84-I87 PolarHBondContact O-N 3.31Å; P84-L88 PolarHBondContact O-N 3.42Å
85L86.1Confident85.6Confident51 Ų5126.3 Ų26.327%0.26714%0.14SC..Hα-helixtrans-65.2-42.1-179.5-177.963.3000110.6V82 F83 I87 L88 N89V82-L85 WeakPolarHBondContact O-CB 3.19Å; V82-L85 PolarHBondContact O-N 3.19Å; F83-L85 VanDerWaalsContact C-N 3.33Å; F83-L85 PolarHBondContact O-N 3.02Å; L85-I87 PolarHBondContact O-N 3.5Å; L85-L88 WeakPolarHBondContact O-CB 3.32Å; L85-L88 PolarHBondContact O-N 2.93Å; L85-N89 PolarHBondContact O-N 2.95Å; L85-N89 PolarHBondContact O-ND2 2.95Å
86L88.9Confident86.2Confident3 Ų326.9 Ų26.92%0.01614%0.141CC..Hα-helixtrans-63.1-41.7176.5-65.7177.5000112.1V82 F83 N89 L90 I218 D222 L226 I230V82-L86 HydrophobicContact CG1-CD1 4Å; V82-L86 HydrophobicContact CG1-CD2 4.49Å; V82-L86 HydrophobicContact CG1-CG 3.93Å; V82-L86 PolarHBondContact O-N 3.08Å; V82-L86 VanDerWaalsContact O-N 3.14Å; F83-L86 PolarHBondContact O-N 3.3Å; L86-N89 PolarHBondContact O-N 3.49Å; L86-L90 WeakPolarHBondContact O-CB 3.31Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 2.83Å; L86-L90 VanDerWaalsContact O-N 3.08Å; L86-I218 HydrophobicContact CD2-CB 4.43Å; L86-I218 HydrophobicContact CD2-CG1 4.3Å; L86-I218 HydrophobicContact CD2-CG2 4.11Å; L86-D222 HydrophobicContact CD1-CB 4.12Å; L86-L226 HydrophobicContact CD1-CD1 3.7Å; L86-I230 HydrophobicContact CB-CD1 3.74Å; L86-I230 HydrophobicContact CD1-CD1 4Å
87I90.6Very high86.8Confident0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-62.7-45.7174.4-69.5177000110.7S47 I48 F83 P84 L85 N89 L90 K91 I230 Y233S47-I87 VanDerWaalsContact CB-CG2 3.47Å; I48-I87 HydrophobicContact CD1-CG2 3.41Å; I48-I87 VanDerWaalsContact CD1-CG2 3.41Å; I48-I87 HydrophobicContact CG1-CG2 3.98Å; F83-I87 HydrophobicContact CD2-CD1 4.1Å; F83-I87 HydrophobicContact CD2-CG1 4.43Å; F83-I87 HydrophobicContact CE1-CD1 3.99Å; F83-I87 HydrophobicContact CE2-CD1 3.4Å; F83-I87 HydrophobicContact CE2-CG1 4.04Å; F83-I87 HydrophobicContact CZ-CD1 3.34Å; F83-I87 HydrophobicContact CZ-CG1 4.44Å; F83-I87 PolarHBondContact O-N 2.96Å; P84-I87 PolarHBondContact O-N 3.31Å; L85-I87 PolarHBondContact O-N 3.5Å; I87-N89 VanDerWaalsContact C-N 3.28Å; I87-N89 PolarHBondContact O-N 3.3Å; I87-L90 PolarHBondContact O-N 3.46Å; I87-K91 VanDerWaalsContact O-CB 3.27Å; I87-K91 WeakPolarHBondContact O-CB 3.43Å; I87-K91 WeakPolarHBondContact O-CG 3.42Å; I87-K91 PolarHBondContact O-N 2.98Å; I87-I230 HydrophobicContact CG1-CB 4.42Å; I87-I230 HydrophobicContact CG1-CG1 3.91Å; I87-I230 HydrophobicContact CG1-CG2 4.39Å; I87-Y233 HydrophobicContact CD1-CD2 4.25Å; I87-Y233 HydrophobicContact CD1-CG 4.26Å
88L86.4Confident87.7Confident15 Ų1533.1 Ų33.18%0.07916%0.164CC..Hα-helixtrans-56.3-44.3178.4174.764.4000111.9I55 P84 L85 K91 N92I55-L88 HydrophobicContact CD1-CB 3.37Å; I55-L88 HydrophobicContact CD1-CD1 4.34Å; I55-L88 HydrophobicContact CD1-CD2 3.23Å; I55-L88 HydrophobicContact CD1-CG 3.76Å; P84-L88 PolarHBondContact O-N 3.42Å; L85-L88 WeakPolarHBondContact O-CB 3.32Å; L85-L88 PolarHBondContact O-N 2.93Å; L88-K91 WeakPolarHBondContact O-CG 3.29Å; L88-N92 PolarHBondContact O-OD1 3.23Å
89N84.9Confident88.4Confident2 Ų226.8 Ų26.81%0.01114%0.139CC..Hα-helixtrans-69.4-40.4-176.9-64.2-17.5000111.4L85 L86 I87 P214 I218L85-N89 PolarHBondContact O-N 2.95Å; L85-N89 PolarHBondContact O-ND2 2.95Å; L86-N89 PolarHBondContact O-N 3.49Å; I87-N89 VanDerWaalsContact C-N 3.28Å; I87-N89 PolarHBondContact O-N 3.3Å; N89-P214 PolarHBondContact ND2-O 2.92Å; N89-P214 WeakPolarHBondContact OD1-CB 3.35Å; N89-I218 HydrophobicContact CB-CD1 3.99Å; N89-I218 HydrophobicContact CB-CG1 4.17Å
90L88.4Confident88.9Confident36 Ų3626.6 Ų26.619%0.18814%0.141CC..Hα-helixtrans-77.5-35.3-179.9-72.6168.5000113.4L86 I87 N92 L93 V94 I218 L223 I230 L234L86-L90 WeakPolarHBondContact O-CB 3.31Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 2.83Å; L86-L90 VanDerWaalsContact O-N 3.08Å; I87-L90 PolarHBondContact O-N 3.46Å; L90-N92 VanDerWaalsContact C-N 3.28Å; L90-N92 PolarHBondContact O-N 3.44Å; L90-L93 PolarHBondContact O-N 2.95Å; L90-V94 WeakPolarHBondContact O-CG2 3.28Å; L90-V94 PolarHBondContact O-N 3.43Å; L90-V94 VanDerWaalsContact O-N 3.09Å; L90-I218 HydrophobicContact CD2-CD1 4.46Å; L90-L223 HydrophobicContact CD1-CD1 3.7Å; L90-I230 HydrophobicContact CD1-CG2 3.62Å; L90-L234 HydrophobicContact CB-CD1 3.96Å
91K90Very high89.5Confident4 Ų431.2 Ų31.22%0.01717%0.166CC..Hα-helixtrans-65.1-33.4-177.780.5176-173.6172.30112.2S47 I48 G50 I87 L88 V94 G95 L234 L267S47-K91 VanDerWaalsContact O-CD 3.3Å; S47-K91 WeakPolarHBondContact O-CD 3.39Å; S47-K91 VanDerWaalsContact O-CE 3.28Å; S47-K91 WeakPolarHBondContact O-CE 3.28Å; S47-K91 PolarHBondContact O-NZ 3.19Å; I48-K91 HydrophobicContact CD1-CB 4.46Å; I48-K91 PolarHBondContact O-NZ 2.86Å; G50-K91 PolarHBondContact O-NZ 3.22Å; I87-K91 VanDerWaalsContact O-CB 3.27Å; I87-K91 WeakPolarHBondContact O-CB 3.43Å; I87-K91 WeakPolarHBondContact O-CG 3.42Å; I87-K91 PolarHBondContact O-N 2.98Å; L88-K91 WeakPolarHBondContact O-CG 3.29Å; K91-V94 PolarHBondContact O-N 2.65Å; K91-G95 PolarHBondContact O-N 3.35Å; K91-L234 HydrophobicContact CB-CD2 3.52Å; K91-L267 HydrophobicContact CB-CD2 4.31Å; K91-L267 HydrophobicContact CD-CD2 4.31Å; K91-L267 WeakPolarHBondContact CE-O 3.36Å
92N87.5Confident90.2Very high26 Ų2631.6 Ų31.614%0.13917%0.165CC..Hα-helixtrans-60.9-51.2177.5-71.1-5.3000110L88 L90 V94 G95 F96 L267L88-N92 PolarHBondContact O-OD1 3.23Å; L90-N92 VanDerWaalsContact C-N 3.28Å; L90-N92 PolarHBondContact O-N 3.44Å; N92-V94 PolarHBondContact O-N 3.31Å; N92-G95 PolarHBondContact O-N 3.47Å; N92-F96 HydrophobicContact CB-CE2 4.01Å; N92-F96 HydrophobicContact CB-CZ 4.23Å; N92-F96 WeakPolarHBondContact O-CD2 3.29Å; N92-F96 WeakPolarHBondContact O-CE2 3.45Å; N92-F96 WeakPolarHBondContact O-CG 3.27Å; N92-F96 PolarHBondContact O-N 2.64Å; N92-L267 PolarHBondContact OD1-O 3.02Å
93L87.1Confident90.8Very high79 Ų7930.4 Ų30.441%0.41416%0.158SC..Hα-helixtrans-56.5-51177.3175.263.4000111.3L90 G95 F96 L97L90-L93 PolarHBondContact O-N 2.95Å; L93-G95 VanDerWaalsContact C-N 3.34Å; L93-G95 PolarHBondContact O-N 3.43Å; L93-F96 PolarHBondContact O-N 3.07Å; L93-L97 HydrophobicContact CD1-CD1 4.35Å; L93-L97 HydrophobicContact CD1-CG 4.42Å; L93-L97 HydrophobicContact CG-CD1 4.28Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.41Å; L93-L97 VanDerWaalsContact O-N 3.09Å
94V90.8Very high91.2Very high30 Ų3034.8 Ų34.818%0.18218%0.177CC..Hα-helixtrans-58.9-47.4178.4172.70000110.6L90 K91 N92 F96 L97 F98 L234 L238L90-V94 WeakPolarHBondContact O-CG2 3.28Å; L90-V94 PolarHBondContact O-N 3.43Å; L90-V94 VanDerWaalsContact O-N 3.09Å; K91-V94 PolarHBondContact O-N 2.65Å; N92-V94 PolarHBondContact O-N 3.31Å; V94-F96 VanDerWaalsContact C-N 3.31Å; V94-F96 PolarHBondContact O-N 3.47Å; V94-L97 PolarHBondContact O-N 3.07Å; V94-F98 HydrophobicContact CG1-CD2 3.89Å; V94-F98 HydrophobicContact CG1-CE2 3.99Å; V94-F98 WeakPolarHBondContact O-CD2 3.35Å; V94-F98 PolarHBondContact O-N 3.36Å; V94-F98 VanDerWaalsContact O-N 3.13Å; V94-L234 HydrophobicContact CG2-CD1 4.49Å; V94-L238 HydrophobicContact CG1-CD1 3.47Å; V94-L238 VanDerWaalsContact CG1-CD1 3.47Å; V94-L238 HydrophobicContact CG1-CD2 4Å; V94-L238 HydrophobicContact CG1-CG 4.04Å
95G91.8Very high91.6Very high0 Ų041.9 Ų41.90%021%0.208CC..Hα-helixtrans-57-42.6177.700000112.7K91 N92 L93 T99 F268K91-G95 PolarHBondContact O-N 3.35Å; N92-G95 PolarHBondContact O-N 3.47Å; L93-G95 VanDerWaalsContact C-N 3.34Å; L93-G95 PolarHBondContact O-N 3.43Å; G95-T99 WeakPolarHBondContact O-CB 3.42Å; G95-T99 PolarHBondContact O-N 2.86Å; G95-T99 PolarHBondContact O-OG1 2.93Å; G95-F268 VanDerWaalsContact C-CE1 3.42Å; G95-F268 WeakPolarHBondContact O-CE1 3.33Å
96F91.4Very high92.1Very high38 Ų3839.6 Ų39.617%0.16720%0.196CC..Hα-helixtrans-63.9-47.1177.4-58.2-38.2000112.4N92 L93 V94 F98 T99 A100 F212 F268 L276N92-F96 HydrophobicContact CB-CE2 4.01Å; N92-F96 HydrophobicContact CB-CZ 4.23Å; N92-F96 WeakPolarHBondContact O-CD2 3.29Å; N92-F96 WeakPolarHBondContact O-CE2 3.45Å; N92-F96 WeakPolarHBondContact O-CG 3.27Å; N92-F96 PolarHBondContact O-N 2.64Å; L93-F96 PolarHBondContact O-N 3.07Å; V94-F96 VanDerWaalsContact C-N 3.31Å; V94-F96 PolarHBondContact O-N 3.47Å; F96-F98 VanDerWaalsContact C-N 3.35Å; F96-F98 PolarHBondContact O-N 3.13Å; F96-T99 PolarHBondContact O-N 2.81Å; F96-A100 VanDerWaalsContact O-CB 3.3Å; F96-A100 WeakPolarHBondContact O-CB 3.31Å; F96-A100 PolarHBondContact O-N 3.37Å; F96-F212 HydrophobicContact CD2-CE1 4.46Å; F96-F212 HydrophobicContact CE2-CD1 4.18Å; F96-F212 AromaticContact CE2-CE1 3.35Å; F96-F212 HydrophobicContact CE2-CE1 3.35Å; F96-F212 AromaticContact CE2-CZ 3.86Å; F96-F212 HydrophobicContact CE2-CZ 3.86Å; F96-F212 AromaticContact CZ-CE1 3.51Å; F96-F212 HydrophobicContact CZ-CE1 3.51Å; F96-F212 HydrophobicContact CZ-CZ 4.05Å; F96-F268 HydrophobicContact CD1-CB 4.2Å; F96-F268 AromaticContact CD1-CD1 3.83Å; F96-F268 HydrophobicContact CD1-CD1 3.83Å; F96-F268 AromaticContact CD1-CD2 3.77Å; F96-F268 HydrophobicContact CD1-CD2 3.77Å; F96-F268 HydrophobicContact CD1-CE1 4.13Å; F96-F268 HydrophobicContact CD1-CE2 4.04Å; F96-F268 AromaticContact CD1-CG 3.64Å; F96-F268 HydrophobicContact CD1-CG 3.64Å; F96-F268 HydrophobicContact CD1-CZ 4.21Å; F96-F268 HydrophobicContact CE1-CB 3.44Å; F96-F268 VanDerWaalsContact CE1-CB 3.44Å; F96-F268 AromaticContact CE1-CD1 3.94Å; F96-F268 HydrophobicContact CE1-CD1 3.94Å; F96-F268 AromaticContact CE1-CD2 3.37Å; F96-F268 HydrophobicContact CE1-CD2 3.37Å; F96-F268 HydrophobicContact CE1-CE2 4.06Å; F96-F268 AromaticContact CE1-CG 3.28Å; F96-F268 HydrophobicContact CE1-CG 3.28Å; F96-F268 HydrophobicContact CZ-CB 3.9Å; F96-F268 HydrophobicContact CZ-CG 4.22Å; F96-L276 HydrophobicContact CB-CD1 4.24Å; F96-L276 HydrophobicContact CD1-CD1 3.81Å; F96-L276 HydrophobicContact CG-CD1 4.46Å
97L92Very high92.5Very high105 Ų10539.4 Ų39.455%0.5520%0.195SC..Hα-helixtrans-59.5-44-178.8-68.3174000112.3L93 V94 N101L93-L97 HydrophobicContact CD1-CD1 4.35Å; L93-L97 HydrophobicContact CD1-CG 4.42Å; L93-L97 HydrophobicContact CG-CD1 4.28Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.41Å; L93-L97 VanDerWaalsContact O-N 3.09Å; V94-L97 PolarHBondContact O-N 3.07Å; L97-N101 PolarHBondContact O-ND2 2.89Å
98F94.1Very high92.8Very high105 Ų10544.2 Ų44.246%0.46122%0.22SC..Hα-helixtrans-73.4-44.4178.7-80.5-89.7000111.7V94 F96 A100 N101 I102 L238 M264V94-F98 HydrophobicContact CG1-CD2 3.89Å; V94-F98 HydrophobicContact CG1-CE2 3.99Å; V94-F98 WeakPolarHBondContact O-CD2 3.35Å; V94-F98 PolarHBondContact O-N 3.36Å; V94-F98 VanDerWaalsContact O-N 3.13Å; F96-F98 VanDerWaalsContact C-N 3.35Å; F96-F98 PolarHBondContact O-N 3.13Å; F98-A100 PolarHBondContact O-N 3.24Å; F98-N101 PolarHBondContact O-N 2.97Å; F98-I102 WeakPolarHBondContact O-CD1 3.46Å; F98-I102 VanDerWaalsContact O-CG1 3.29Å; F98-I102 WeakPolarHBondContact O-CG1 3.17Å; F98-I102 PolarHBondContact O-N 3.29Å; F98-L238 HydrophobicContact CD2-CD1 4.3Å; F98-L238 HydrophobicContact CD2-CD2 4.31Å; F98-L238 HydrophobicContact CE2-CD1 3.91Å; F98-L238 HydrophobicContact CG-CD2 4.49Å; F98-L238 HydrophobicContact CZ-CD1 4.29Å; F98-M264 HydrophobicContact CB-CE 4.21Å
99T96.2Very high93.2Very high0 Ų047.9 Ų47.90%023%0.233CC..Hα-helixtrans-70-36.3-173.9-51.90000112.6G95 F96 N101 I102 L103 A261 M264 F268 L276 M302G95-T99 WeakPolarHBondContact O-CB 3.42Å; G95-T99 PolarHBondContact O-N 2.86Å; G95-T99 PolarHBondContact O-OG1 2.93Å; F96-T99 PolarHBondContact O-N 2.81Å; T99-N101 VanDerWaalsContact C-N 3.27Å; T99-N101 PolarHBondContact O-N 2.56Å; T99-I102 PolarHBondContact O-N 2.93Å; T99-I102 VanDerWaalsContact O-N 3.15Å; T99-L103 HydrophobicContact CG2-CD1 3.76Å; T99-L103 HydrophobicContact CG2-CG 3.84Å; T99-L103 WeakPolarHBondContact O-CB 3.34Å; T99-L103 WeakPolarHBondContact O-CG 3.23Å; T99-L103 PolarHBondContact O-N 3.34Å; T99-A261 HydrophobicContact CG2-CB 4.32Å; T99-M264 WeakPolarHBondContact OG1-CB 3.34Å; T99-F268 HydrophobicContact CG2-CE1 4.41Å; T99-F268 HydrophobicContact CG2-CZ 3.76Å; T99-F268 VanDerWaalsContact OG1-CE1 3.27Å; T99-F268 WeakPolarHBondContact OG1-CE1 3.5Å; T99-F268 WeakPolarHBondContact OG1-CZ 3.39Å; T99-L276 HydrophobicContact CG2-CD1 4.38Å; T99-M302 HydrophobicContact CG2-CE 4.12Å
100A95.1Very high93.6Very high23 Ų2348 Ų4819%0.1923%0.234CC..Hα-helixtrans-54.1-45.1175.200000111.8F96 F98 K104 L276F96-A100 VanDerWaalsContact O-CB 3.3Å; F96-A100 WeakPolarHBondContact O-CB 3.31Å; F96-A100 PolarHBondContact O-N 3.37Å; F98-A100 PolarHBondContact O-N 3.24Å; A100-K104 WeakPolarHBondContact O-CG 3.47Å; A100-K104 PolarHBondContact O-N 2.95Å; A100-K104 VanDerWaalsContact O-N 3.14Å; A100-L276 HydrophobicContact CB-CD2 3.98Å
101N94.7Very high93.8Very high100 Ų10047 Ų4754%0.53523%0.228SC..Hα-helixtrans-71.6-34.8180-70.3-50.5000112.8L97 F98 T99 K105L97-N101 PolarHBondContact O-ND2 2.89Å; F98-N101 PolarHBondContact O-N 2.97Å; T99-N101 VanDerWaalsContact C-N 3.27Å; T99-N101 PolarHBondContact O-N 2.56Å; N101-K105 PolarHBondContact O-N 3.08Å
102I96.9Very high93.9Very high21 Ų2153.1 Ų53.111%0.10826%0.255CS..Hα-helixtrans-71.5-41.9177.8-64.8162000110.8F98 T99 K104 K105 E106 S257 I260 A261 M264F98-I102 WeakPolarHBondContact O-CD1 3.46Å; F98-I102 VanDerWaalsContact O-CG1 3.29Å; F98-I102 WeakPolarHBondContact O-CG1 3.17Å; F98-I102 PolarHBondContact O-N 3.29Å; T99-I102 PolarHBondContact O-N 2.93Å; T99-I102 VanDerWaalsContact O-N 3.15Å; I102-K104 PolarHBondContact O-N 3.34Å; I102-K105 WeakPolarHBondContact O-CB 3.39Å; I102-K105 PolarHBondContact O-N 3.36Å; I102-K105 VanDerWaalsContact O-N 3.14Å; I102-E106 PolarHBondContact O-N 3.36Å; I102-S257 WeakPolarHBondContact CG2-O 3.32Å; I102-I260 HydrophobicContact CD1-CB 4.46Å; I102-I260 HydrophobicContact CD1-CG2 3.64Å; I102-I260 HydrophobicContact CG2-CB 4.48Å; I102-A261 HydrophobicContact CG2-CB 4Å; I102-M264 HydrophobicContact CD1-CE 4.38Å; I102-M264 HydrophobicContact CD1-CG 4.45Å
103L97.4Very high94.1Very high1 Ų153.9 Ų53.91%0.00526%0.257CS..Hα-helixtrans-66.2-36.1177.7-73.1177.5000112.1T99 K105 E106 A107 A261 L276 A280 I298 M302T99-L103 HydrophobicContact CG2-CD1 3.76Å; T99-L103 HydrophobicContact CG2-CG 3.84Å; T99-L103 WeakPolarHBondContact O-CB 3.34Å; T99-L103 WeakPolarHBondContact O-CG 3.23Å; T99-L103 PolarHBondContact O-N 3.34Å; L103-K105 VanDerWaalsContact C-N 3.28Å; L103-K105 PolarHBondContact O-N 3.48Å; L103-E106 PolarHBondContact O-N 2.88Å; L103-E106 VanDerWaalsContact O-N 3.16Å; L103-A107 VanDerWaalsContact O-CB 3.3Å; L103-A107 WeakPolarHBondContact O-CB 3.41Å; L103-A107 PolarHBondContact O-N 2.97Å; L103-A261 HydrophobicContact CD2-CB 3.75Å; L103-A261 HydrophobicContact CG-CB 4.32Å; L103-L276 HydrophobicContact CD1-CB 3.82Å; L103-A280 HydrophobicContact CB-CB 3.67Å; L103-I298 HydrophobicContact CD2-CG2 3.85Å; L103-M302 HydrophobicContact CD1-CE 4.34Å; L103-M302 HydrophobicContact CD2-CE 4.24Å; L103-M302 HydrophobicContact CD2-CG 4.01Å; L103-M302 HydrophobicContact CD2-SD 3.96Å
104K97.1Very high94.2Very high91 Ų9152.4 Ų52.440%0.39625%0.246SC..Hα-helixtrans-58.1-40.4170.6-75.1176.1-177.5-178.10112.1A100 I102 A107 L108 A280A100-K104 WeakPolarHBondContact O-CG 3.47Å; A100-K104 PolarHBondContact O-N 2.95Å; A100-K104 VanDerWaalsContact O-N 3.14Å; I102-K104 PolarHBondContact O-N 3.34Å; K104-A107 PolarHBondContact O-N 3.49Å; K104-L108 WeakPolarHBondContact O-CG 3.45Å; K104-L108 PolarHBondContact O-N 3.25Å; K104-A280 HydrophobicContact CG-CB 4.29Å
105K96.4Very high94.2Very high149 Ų14957.3 Ų57.365%0.64826%0.262SS*.Hα-helixtrans-65.8-39.9175-69.4-178.6178.1-178.50112.2N101 I102 L103 R109N101-K105 PolarHBondContact O-N 3.08Å; I102-K105 WeakPolarHBondContact O-CB 3.39Å; I102-K105 PolarHBondContact O-N 3.36Å; I102-K105 VanDerWaalsContact O-N 3.14Å; L103-K105 VanDerWaalsContact C-N 3.28Å; L103-K105 PolarHBondContact O-N 3.48Å; K105-R109 PolarHBondContact O-N 3.4Å; K105-R109 VanDerWaalsContact O-N 3.14Å
106E96.9Very high94.1Very high3 Ų361.9 Ų61.91%0.01429%0.286CS..Hα-helixtrans-69.4-40.8176.1-172.558.7-163.100112.2I102 L103 L108 R109 V110 S255 S257 L258 I298I102-E106 PolarHBondContact O-N 3.36Å; L103-E106 PolarHBondContact O-N 2.88Å; L103-E106 VanDerWaalsContact O-N 3.16Å; E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 2.93Å; E106-R109 WeakPolarHBondContact O-CA 3.37Å; E106-R109 WeakPolarHBondContact O-CB 3.45Å; E106-R109 PolarHBondContact O-N 3.44Å; E106-R109 IonicContact OE1-CZ 2.76Å; E106-R109 VanDerWaalsContact OE1-CZ 3.31Å; E106-R109 IonicContact OE1-NE 3.88Å; E106-R109 PolarHBondContact OE1-NE 3.44Å; E106-R109 IonicContact OE1-NH2 3.56Å; E106-R109 PolarHBondContact OE1-NH2 2.9Å; E106-R109 IonicContact OE2-NE 3.76Å; E106-R109 PolarHBondContact OE2-NE 3.36Å; E106-V110 HydrophobicContact CG-CG2 4.43Å; E106-V110 WeakPolarHBondContact O-CG2 3.4Å; E106-V110 PolarHBondContact O-N 3.09Å; E106-S255 PolarHBondContact OE1-OG 3.44Å; E106-S255 WeakPolarHBondContact OE2-CB 3.43Å; E106-S255 PolarHBondContact OE2-OG 2.84Å; E106-S257 PolarHBondContact OE2-OG 3.22Å; E106-L258 HydrophobicContact CG-CB 4.06Å; E106-L258 HydrophobicContact CG-CD1 4.32Å; E106-I298 HydrophobicContact CB-CD1 4.21Å; E106-I298 HydrophobicContact CG-CD1 3.83Å; E106-I298 HydrophobicContact CG-CG1 4.3Å
107A96.7Very high93.7Very high0 Ų062.8 Ų62.80%031%0.306CS..Hα-helixtrans-58.7-42.1174.900000111.2L103 K104 R109 V110 K111 A280 V284 I294 I298L103-A107 VanDerWaalsContact O-CB 3.3Å; L103-A107 WeakPolarHBondContact O-CB 3.41Å; L103-A107 PolarHBondContact O-N 2.97Å; K104-A107 PolarHBondContact O-N 3.49Å; A107-R109 VanDerWaalsContact C-N 3.31Å; A107-R109 PolarHBondContact O-N 3.29Å; A107-V110 PolarHBondContact O-N 3.39Å; A107-K111 VanDerWaalsContact O-CB 3.26Å; A107-K111 WeakPolarHBondContact O-CB 3.2Å; A107-K111 PolarHBondContact O-N 3.27Å; A107-A280 HydrophobicContact CB-CB 4.48Å; A107-V284 HydrophobicContact CB-CB 3.94Å; A107-V284 HydrophobicContact CB-CG1 4.13Å; A107-V284 HydrophobicContact CB-CG2 3.88Å; A107-I294 HydrophobicContact CB-CD1 4.42Å; A107-I294 HydrophobicContact CB-CG2 3.7Å; A107-I298 HydrophobicContact CB-CD1 4.28Å
108L96.5Very high93Very high100 Ų10064 Ų6452%0.52431%0.309SS..Hα-helixtrans-61.9-38.9173.7-77.5166.1000112.1K104 E106 K112 V284K104-L108 WeakPolarHBondContact O-CG 3.45Å; K104-L108 PolarHBondContact O-N 3.25Å; E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 2.93Å; L108-K112 WeakPolarHBondContact O-CB 3.4Å; L108-K112 PolarHBondContact O-N 2.89Å; L108-V284 HydrophobicContact CB-CG1 4.44Å; L108-V284 HydrophobicContact CD2-CG1 3.65Å; L108-V284 HydrophobicContact CD2-CG2 4.41Å; L108-V284 HydrophobicContact CG-CG1 3.84Å; L108-V284 HydrophobicContact CG-CG2 4.06Å
109R95.1Very high92.2Very high93 Ų9360.4 Ų60.435%0.35129%0.294SS..Hα-helixtrans-64.4-50.1176.1-167.1-174.881.684.74.8111K105 E106 A107 K112 Q113 S255K105-R109 PolarHBondContact O-N 3.4Å; K105-R109 VanDerWaalsContact O-N 3.14Å; E106-R109 WeakPolarHBondContact O-CA 3.37Å; E106-R109 WeakPolarHBondContact O-CB 3.45Å; E106-R109 PolarHBondContact O-N 3.44Å; E106-R109 IonicContact OE1-CZ 2.76Å; E106-R109 VanDerWaalsContact OE1-CZ 3.31Å; E106-R109 IonicContact OE1-NE 3.88Å; E106-R109 PolarHBondContact OE1-NE 3.44Å; E106-R109 IonicContact OE1-NH2 3.56Å; E106-R109 PolarHBondContact OE1-NH2 2.9Å; E106-R109 IonicContact OE2-NE 3.76Å; E106-R109 PolarHBondContact OE2-NE 3.36Å; A107-R109 VanDerWaalsContact C-N 3.31Å; A107-R109 PolarHBondContact O-N 3.29Å; R109-K112 WeakPolarHBondContact O-CB 3.09Å; R109-K112 PolarHBondContact O-N 3.03Å; R109-Q113 WeakPolarHBondContact O-CG 3.21Å; R109-Q113 PolarHBondContact O-N 2.88Å; R109-S255 VanDerWaalsContact NE-CB 3.29Å
110V93.3Very high90.8Very high4 Ų464.4 Ų64.42%0.02432%0.319CS..Hα-helixtrans-62.2-44.3179.4174.40000110.9E106 A107 K112 Q113 Y114 L119 V293 I294 N297 I298E106-V110 HydrophobicContact CG-CG2 4.43Å; E106-V110 WeakPolarHBondContact O-CG2 3.4Å; E106-V110 PolarHBondContact O-N 3.09Å; A107-V110 PolarHBondContact O-N 3.39Å; V110-K112 VanDerWaalsContact C-N 3.31Å; V110-K112 PolarHBondContact O-N 3.5Å; V110-Q113 PolarHBondContact O-N 3.33Å; V110-Y114 PolarHBondContact O-N 2.86Å; V110-L119 HydrophobicContact CG1-CD1 4.42Å; V110-V293 HydrophobicContact CG1-CG1 4.36Å; V110-I294 HydrophobicContact CG1-CG1 4.25Å; V110-N297 HydrophobicContact CG1-CB 4.04Å; V110-I298 HydrophobicContact CG2-CD1 4.13Å; V110-I298 HydrophobicContact CG2-CG1 4.16Å
111K92.6Very high89.2Confident14 Ų1465.6 Ų65.66%0.06132%0.32CS..Hα-helixtrans-56.6-45173.5174.5170.1169.31530112A107 Y114 R115 V284 E286 E290 I294A107-K111 VanDerWaalsContact O-CB 3.26Å; A107-K111 WeakPolarHBondContact O-CB 3.2Å; A107-K111 PolarHBondContact O-N 3.27Å; K111-Y114 WeakPolarHBondContact O-CB 3.3Å; K111-Y114 PolarHBondContact O-N 3.32Å; K111-R115 VanDerWaalsContact CE-NH2 3.27Å; K111-R115 WeakPolarHBondContact O-CG 3.36Å; K111-R115 PolarHBondContact O-N 3.37Å; K111-V284 HydrophobicContact CB-CG1 4.25Å; K111-V284 HydrophobicContact CD-CG1 3.75Å; K111-V284 WeakPolarHBondContact CD-O 3.32Å; K111-V284 PolarHBondContact NZ-O 3.48Å; K111-E286 VanDerWaalsContact NZ-CG 3.32Å; K111-E286 IonicContact NZ-OE1 3.91Å; K111-E286 PolarHBondContact NZ-OE1 3.09Å; K111-E286 IonicContact NZ-OE2 2.75Å; K111-E290 WeakPolarHBondContact CE-OE2 3.32Å; K111-E290 IonicContact NZ-OE1 3.53Å; K111-E290 IonicContact NZ-OE2 3.56Å; K111-E290 PolarHBondContact NZ-OE2 3.39Å; K111-I294 HydrophobicContact CB-CD1 4.2Å
112K92.7Very high87.6Confident133 Ų13366 Ų6658%0.57832%0.317SS*.Hα-helixtrans-61.3-48176.6-177.4-179.4175-173.40111.1L108 R109 V110 Y114 R115 D116L108-K112 WeakPolarHBondContact O-CB 3.4Å; L108-K112 PolarHBondContact O-N 2.89Å; R109-K112 WeakPolarHBondContact O-CB 3.09Å; R109-K112 PolarHBondContact O-N 3.03Å; V110-K112 VanDerWaalsContact C-N 3.31Å; V110-K112 PolarHBondContact O-N 3.5Å; K112-Y114 VanDerWaalsContact C-N 3.26Å; K112-Y114 PolarHBondContact O-N 2.93Å; K112-R115 PolarHBondContact O-N 3.48Å; K112-R115 VanDerWaalsContact O-N 3.17Å; K112-D116 WeakPolarHBondContact CE-OD2 3.35Å; K112-D116 WeakPolarHBondContact CG-OD2 3.45Å; K112-D116 WeakPolarHBondContact O-CB 3.33Å; K112-D116 PolarHBondContact O-N 2.85Å
113Q90.8Very high85.7Confident42 Ų4271.8 Ų71.820%0.19634%0.344CS..Hα-helixtrans-62.5-33.8178.6-65.5-168.3-75.600112.9R109 V110 G117 E118 L119R109-Q113 WeakPolarHBondContact O-CG 3.21Å; R109-Q113 PolarHBondContact O-N 2.88Å; V110-Q113 PolarHBondContact O-N 3.33Å; Q113-G117 PolarHBondContact O-N 3.14Å; Q113-E118 HydrophobicContact CB-CB 4.28Å; Q113-E118 WeakPolarHBondContact CG-OE2 3.34Å; Q113-E118 PolarHBondContact NE2-OE2 3.2Å; Q113-E118 PolarHBondContact O-N 3.49Å; Q113-L119 HydrophobicContact CB-CB 4.39Å; Q113-L119 HydrophobicContact CB-CD1 3.39Å; Q113-L119 HydrophobicContact CB-CG 4.38Å; Q113-L119 HydrophobicContact CG-CD1 4.25Å; Q113-L119 PolarHBondContact O-N 3.26Å
114Y89.8Confident83.4Confident48 Ų4879.6 Ų79.619%0.18838%0.381CS..Hα-helixtrans-63.7-49.7172.5179.9-113.7000111.4V110 K111 K112 D116 G117 L119 F121 E289 E290 V293V110-Y114 PolarHBondContact O-N 2.86Å; K111-Y114 WeakPolarHBondContact O-CB 3.3Å; K111-Y114 PolarHBondContact O-N 3.32Å; K112-Y114 VanDerWaalsContact C-N 3.26Å; K112-Y114 PolarHBondContact O-N 2.93Å; Y114-D116 VanDerWaalsContact C-N 3.3Å; Y114-D116 PolarHBondContact O-N 3.21Å; Y114-G117 PolarHBondContact O-N 3.06Å; Y114-L119 VanDerWaalsContact CD2-O 3.28Å; Y114-L119 WeakPolarHBondContact CD2-O 3.49Å; Y114-F121 HydrophobicContact CE2-CB 3.98Å; Y114-E289 PolarHBondContact OH-OE1 3.07Å; Y114-E289 PolarHBondContact OH-OE2 3.14Å; Y114-E290 HydrophobicContact CD1-CG 4.19Å; Y114-E290 HydrophobicContact CE1-CG 4.3Å; Y114-V293 HydrophobicContact CD1-CG2 4.49Å; Y114-V293 HydrophobicContact CD2-CB 4.4Å; Y114-V293 HydrophobicContact CD2-CG1 3.85Å; Y114-V293 HydrophobicContact CD2-CG2 3.82Å; Y114-V293 HydrophobicContact CE1-CG2 4.39Å; Y114-V293 HydrophobicContact CE2-CG2 3.73Å; Y114-V293 HydrophobicContact CG-CB 4.49Å; Y114-V293 HydrophobicContact CG-CG1 3.99Å; Y114-V293 HydrophobicContact CG-CG2 4.23Å
115R89.9Confident81.3Confident133 Ų13378.4 Ų78.450%0.50238%0.376SS..Hα-helixtrans-63.8-34.2177.1-71.8-174175.8-168.3-3113.3K111 K112 G117 E286 E290K111-R115 VanDerWaalsContact CE-NH2 3.27Å; K111-R115 WeakPolarHBondContact O-CG 3.36Å; K111-R115 PolarHBondContact O-N 3.37Å; K112-R115 PolarHBondContact O-N 3.48Å; K112-R115 VanDerWaalsContact O-N 3.17Å; R115-G117 PolarHBondContact O-N 3.46Å; R115-E286 IonicContact CZ-OE2 3.83Å; R115-E286 IonicContact NH2-OE1 2.82Å; R115-E286 IonicContact NH2-OE2 3.6Å; R115-E286 PolarHBondContact NH2-OE2 3.09Å; R115-E290 IonicContact CZ-OE1 3.2Å; R115-E290 IonicContact NE-OE1 2.79Å; R115-E290 PolarHBondContact NE-OE1 2.88Å; R115-E290 IonicContact NH2-OE1 2.65Å; R115-E290 PolarHBondContact NH2-OE1 2.97Å; R115-E290 IonicContact NH2-OE2 3.32Å
116D90.3Very high79.2Confident96 Ų9672.8 Ų72.851%0.51336%0.355SS..THydrogen-bonded Turntrans-74.9-3.3176.4-66.3-13000112K112 Y114 E118K112-D116 WeakPolarHBondContact CE-OD2 3.35Å; K112-D116 WeakPolarHBondContact CG-OD2 3.45Å; K112-D116 WeakPolarHBondContact O-CB 3.33Å; K112-D116 PolarHBondContact O-N 2.85Å; Y114-D116 VanDerWaalsContact C-N 3.3Å; Y114-D116 PolarHBondContact O-N 3.21Å; D116-E118 HydrophobicContact CB-CG 4.25Å; D116-E118 PolarHBondContact O-N 3.12Å
117G82.7Confident76.8Confident57 Ų5774.3 Ų74.359%0.58837%0.368SS*.THydrogen-bonded Turntrans74.36.4179.600000114.5Q113 Y114 R115 L119Q113-G117 PolarHBondContact O-N 3.14Å; Y114-G117 PolarHBondContact O-N 3.06Å; R115-G117 PolarHBondContact O-N 3.46Å; G117-L119 VanDerWaalsContact C-N 3.26Å
118E78.4Confident74.7Confident132 Ų13279.6 Ų79.662%0.61739%0.392SS*.SBendtrans-72.2-24.3176.5-61.3-173.5163.900112.3Q113 D116Q113-E118 HydrophobicContact CB-CB 4.28Å; Q113-E118 WeakPolarHBondContact CG-OE2 3.34Å; Q113-E118 PolarHBondContact NE2-OE2 3.2Å; Q113-E118 PolarHBondContact O-N 3.49Å; D116-E118 HydrophobicContact CB-CG 4.25Å; D116-E118 PolarHBondContact O-N 3.12Å
119L76.5Confident72.7Confident28 Ų2876.7 Ų76.715%0.14738%0.377CS..SBendtrans-118119.6-178.3-104.3144.6000109V110 Q113 Y114 G117 N297V110-L119 HydrophobicContact CG1-CD1 4.42Å; Q113-L119 HydrophobicContact CB-CB 4.39Å; Q113-L119 HydrophobicContact CB-CD1 3.39Å; Q113-L119 HydrophobicContact CB-CG 4.38Å; Q113-L119 HydrophobicContact CG-CD1 4.25Å; Q113-L119 PolarHBondContact O-N 3.26Å; Y114-L119 VanDerWaalsContact CD2-O 3.28Å; Y114-L119 WeakPolarHBondContact CD2-O 3.49Å; G117-L119 VanDerWaalsContact C-N 3.26Å; L119-N297 WeakPolarHBondContact CD2-OD1 3.31Å
120T67Low70.6Confident85 Ų8576.6 Ų76.652%0.52139%0.387SS..  trans-88.3133.7171.845.50000110.1F122T120-F122 WeakPolarHBondContact O-CD2 3.39Å; T120-F122 PolarHBondContact O-N 3.29Å; T120-F122 VanDerWaalsContact O-N 3.12Å; T120-F122 VanDerWaalsContact OG1-CZ 3.29Å; T120-F122 WeakPolarHBondContact OG1-CZ 3.38Å
121F61.9Low68.3Low48 Ų4881.4 Ų81.421%0.21142%0.416CS..  trans-64.2110.5165.6179.5-121000108.4Y114 E123 V126 E289 A292 V293Y114-F121 HydrophobicContact CE2-CB 3.98Å; F121-E123 HydrophobicContact CD1-CB 3.82Å; F121-E123 HydrophobicContact CD1-CG 4.28Å; F121-E123 HydrophobicContact CE1-CB 3.7Å; F121-E123 HydrophobicContact CE1-CG 3.72Å; F121-E123 PolarHBondContact O-N 3.09Å; F121-V126 HydrophobicContact CD2-CG2 4.4Å; F121-V126 HydrophobicContact CE2-CB 4.4Å; F121-V126 HydrophobicContact CE2-CG2 3.61Å; F121-V126 HydrophobicContact CZ-CB 4.23Å; F121-V126 HydrophobicContact CZ-CG1 4.36Å; F121-V126 HydrophobicContact CZ-CG2 3.94Å; F121-E289 HydrophobicContact CD1-CG 4.47Å; F121-E289 HydrophobicContact CG-CG 4.47Å; F121-A292 HydrophobicContact CE2-CB 3.91Å; F121-A292 HydrophobicContact CZ-CB 4.43Å; F121-V293 HydrophobicContact CB-CG2 3.86Å; F121-V293 HydrophobicContact CD2-CG2 3.39Å; F121-V293 HydrophobicContact CE2-CG2 4.23Å; F121-V293 HydrophobicContact CG-CG2 3.98Å
122F61.7Low65.9Low108 Ų10889.2 Ų89.247%0.47445%0.453SS..  trans-82.578.9175-62.1-80.8000108.7T120 Q124 E125 V126 Q296T120-F122 WeakPolarHBondContact O-CD2 3.39Å; T120-F122 PolarHBondContact O-N 3.29Å; T120-F122 VanDerWaalsContact O-N 3.12Å; T120-F122 VanDerWaalsContact OG1-CZ 3.29Å; T120-F122 WeakPolarHBondContact OG1-CZ 3.38Å; F122-Q124 PolarHBondContact O-N 2.99Å; F122-E125 HydrophobicContact CB-CB 3.8Å; F122-E125 PolarHBondContact O-N 3.43Å; F122-V126 PolarHBondContact O-N 3.4Å; F122-Q296 PolarHBondContact O-NE2 2.93Å
123E55.4Low63.7Low143 Ų14384.9 Ų84.967%0.66844%0.442SS*.Hα-helixtrans-54-34.5177.5-164168.8-153.500111.5F121 A127F121-E123 HydrophobicContact CD1-CB 3.82Å; F121-E123 HydrophobicContact CD1-CG 4.28Å; F121-E123 HydrophobicContact CE1-CB 3.7Å; F121-E123 HydrophobicContact CE1-CG 3.72Å; F121-E123 PolarHBondContact O-N 3.09Å; E123-A127 WeakPolarHBondContact O-CB 3.11Å; E123-A127 PolarHBondContact O-N 3.49Å
124Q49.7Very low61.9Low165 Ų16590 Ų9077%0.77146%0.464SS*.Hα-helixtrans-64.3-37.2172.3-85.6-178.4-14.100114F122 E128F122-Q124 PolarHBondContact O-N 2.99Å; Q124-E128 VanDerWaalsContact O-CB 3.27Å; Q124-E128 WeakPolarHBondContact O-CB 3.1Å; Q124-E128 VanDerWaalsContact O-CG 3.28Å; Q124-E128 WeakPolarHBondContact O-CG 3.47Å; Q124-E128 PolarHBondContact O-N 3.48Å
125E52.9Low60.6Low65 Ų6594.7 Ų94.730%0.30449%0.487SS..Hα-helixtrans-80.1-33-179.9-172.8-179.7-146.600111.1F122 N129 Q296F122-E125 HydrophobicContact CB-CB 3.8Å; F122-E125 PolarHBondContact O-N 3.43Å; E125-N129 WeakPolarHBondContact O-CB 3.4Å; E125-N129 VanDerWaalsContact O-CG 3.32Å; E125-N129 PolarHBondContact O-N 3.44Å; E125-N129 VanDerWaalsContact O-N 3.16Å; E125-N129 PolarHBondContact O-ND2 2.95Å; E125-Q296 PolarHBondContact OE2-NE2 3.49Å
126V51.9Low59.6Low32 Ų3288.7 Ų88.719%0.19447%0.466CS..Hα-helixtrans-63.2-49.5166.6177.90000109.3F121 F122 E128 N129 T130 Q296F121-V126 HydrophobicContact CD2-CG2 4.4Å; F121-V126 HydrophobicContact CE2-CB 4.4Å; F121-V126 HydrophobicContact CE2-CG2 3.61Å; F121-V126 HydrophobicContact CZ-CB 4.23Å; F121-V126 HydrophobicContact CZ-CG1 4.36Å; F121-V126 HydrophobicContact CZ-CG2 3.94Å; F122-V126 PolarHBondContact O-N 3.4Å; V126-E128 PolarHBondContact O-N 2.92Å; V126-N129 CarbonylContact O-C 3.44Å; V126-N129 WeakPolarHBondContact O-CA 3.41Å; V126-N129 PolarHBondContact O-N 3.35Å; V126-T130 VanDerWaalsContact C-OG1 3.26Å; V126-T130 HydrophobicContact CG1-CG2 4.12Å; V126-T130 WeakPolarHBondContact O-CB 3.12Å; V126-T130 PolarHBondContact O-N 3.23Å; V126-T130 PolarHBondContact O-OG1 3.16Å; V126-Q296 HydrophobicContact CG2-CG 4.48Å
127A48Very low59.2Low35 Ų3589.5 Ų89.529%0.28947%0.469SS..Hα-helixtrans-63-39.2178.500000113.2E123 N129 T130 T131 E132E123-A127 WeakPolarHBondContact O-CB 3.11Å; E123-A127 PolarHBondContact O-N 3.49Å; A127-N129 PolarHBondContact O-N 3.32Å; A127-T130 PolarHBondContact O-N 3.11Å; A127-T131 WeakPolarHBondContact CA-OG1 3.45Å; A127-T131 PolarHBondContact O-N 3.44Å; A127-E132 PolarHBondContact O-N 3.4Å
128E51.3Low59.1Low111 Ų11188.1 Ų88.152%0.51945%0.448SS..Hα-helixtrans-62.5-27.3172.5-85.1-171.3177.800112.3Q124 V126 P191Q124-E128 VanDerWaalsContact O-CB 3.27Å; Q124-E128 WeakPolarHBondContact O-CB 3.1Å; Q124-E128 VanDerWaalsContact O-CG 3.28Å; Q124-E128 WeakPolarHBondContact O-CG 3.47Å; Q124-E128 PolarHBondContact O-N 3.48Å; V126-E128 PolarHBondContact O-N 2.92Å; E128-P191 WeakPolarHBondContact O-CG 3.44Å
129N55Low59.3Low39 Ų3985.2 Ų85.221%0.20944%0.441CS..Hα-helixtrans-97.4-22.4179-72.6-41.9000113.8E125 V126 A127 R184 N192E125-N129 WeakPolarHBondContact O-CB 3.4Å; E125-N129 VanDerWaalsContact O-CG 3.32Å; E125-N129 PolarHBondContact O-N 3.44Å; E125-N129 VanDerWaalsContact O-N 3.16Å; E125-N129 PolarHBondContact O-ND2 2.95Å; V126-N129 CarbonylContact O-C 3.44Å; V126-N129 WeakPolarHBondContact O-CA 3.41Å; V126-N129 PolarHBondContact O-N 3.35Å; A127-N129 PolarHBondContact O-N 3.32Å; N129-R184 PolarHBondContact OD1-NH2 3.45Å; N129-N192 PolarHBondContact O-ND2 3.07Å
130T50.1Low59.5Low90 Ų9089.4 Ų89.455%0.55246%0.463SS*.Hα-helixtrans-114.1-37.8-171.150.10000114.9V126 A127V126-T130 VanDerWaalsContact C-OG1 3.26Å; V126-T130 HydrophobicContact CG1-CG2 4.12Å; V126-T130 WeakPolarHBondContact O-CB 3.12Å; V126-T130 PolarHBondContact O-N 3.23Å; V126-T130 PolarHBondContact O-OG1 3.16Å; A127-T130 PolarHBondContact O-N 3.11Å
131T44.9Very low60.3Low105 Ų10592.3 Ų92.364%0.64447%0.469SS*.THydrogen-bonded Turntrans-124.2-47.1-16429.90000115A127A127-T131 WeakPolarHBondContact CA-OG1 3.45Å; A127-T131 PolarHBondContact O-N 3.44Å
132E42.3Very low61.5Low179 Ų17991.5 Ų91.584%0.83647%0.467SS*.  trans-150.580.2-168-68.3-174.4170.700114.3A127A127-E132 PolarHBondContact O-N 3.4Å
133A47.9Very low62.4Low42 Ų4290.2 Ų90.235%0.34746%0.459SS..  trans-117.5107.6168.900000111.1P191A133-P191 HydrophobicContact CB-CG 3.92Å
134K53.2Low64Low148 Ų14886 Ų8664%0.64344%0.443SS*.  trans26.7116.6162.5-64.3179.3-178.1175.70116.3S136K134-S136 PolarHBondContact O-N 2.63Å
135E61.1Low65.7Low147 Ų14781.2 Ų81.269%0.68743%0.426SS*.  trans-35.6130.1175.4-70-173.5-170.100112.9I137 R143E135-I137 PolarHBondContact O-N 2.82Å; E135-R143 IonicContact OE2-CZ 3.42Å; E135-R143 IonicContact OE2-NH1 3.33Å; E135-R143 PolarHBondContact OE2-NH1 3.08Å; E135-R143 IonicContact OE2-NH2 3.6Å; E135-R143 PolarHBondContact OE2-NH2 3.01Å
136S69.9Low67.5Low7 Ų787.3 Ų87.35%0.04945%0.447CS..  trans-55.1138.1173.8170.30000109.1K134 L138 R143 R187 I188K134-S136 PolarHBondContact O-N 2.63Å; S136-L138 PolarHBondContact O-N 3.01Å; S136-L138 VanDerWaalsContact O-N 3.09Å; S136-L138 WeakPolarHBondContact OG-CB 3.46Å; S136-L138 WeakPolarHBondContact OG-CG 3.44Å; S136-L138 PolarHBondContact OG-N 3.4Å; S136-R143 VanDerWaalsContact O-CZ 3.3Å; S136-R143 PolarHBondContact O-NE 3.19Å; S136-R143 PolarHBondContact O-NH2 3.26Å; S136-R187 VanDerWaalsContact CA-O 3.23Å; S136-R187 WeakPolarHBondContact CA-O 3.28Å; S136-R187 PolarHBondContact OG-O 3.4Å; S136-I188 PolarHBondContact OG-O 3.4Å
137I81Confident69.3Low113 Ų11386 Ų8658%0.57944%0.441SS*.SBendtrans-68.6-6.1176.759.7166.7000112.8E135 F186 R187 I188E135-I137 PolarHBondContact O-N 2.82Å; I137-F186 WeakPolarHBondContact CD1-O 3.25Å; I137-R187 HydrophobicContact CG2-CB 4.32Å; I137-R187 PolarHBondContact N-O 3.44Å; I137-I188 HydrophobicContact CD1-CG1 4.13Å; I137-I188 HydrophobicContact CG1-CG1 4.3Å
138L81Confident71.2Confident29 Ų2985.3 Ų85.315%0.15243%0.433CS..SBendtrans-69.7151.5-178.5-67.4177.6000112.3S136 L142 R143 L151 I188S136-L138 PolarHBondContact O-N 3.01Å; S136-L138 VanDerWaalsContact O-N 3.09Å; S136-L138 WeakPolarHBondContact OG-CB 3.46Å; S136-L138 WeakPolarHBondContact OG-CG 3.44Å; S136-L138 PolarHBondContact OG-N 3.4Å; L138-L142 HydrophobicContact CB-CB 4.07Å; L138-L142 HydrophobicContact CD1-CB 4Å; L138-L142 HydrophobicContact CD1-CD1 4.4Å; L138-L142 HydrophobicContact CD2-CD1 4.07Å; L138-R143 PolarHBondContact O-NE 2.98Å; L138-L151 HydrophobicContact CD1-CD2 3.69Å; L138-I188 HydrophobicContact CD1-CG2 3.88Å; L138-I188 WeakPolarHBondContact CD1-O 3.2Å; L138-I188 HydrophobicContact CD2-CG2 3.89Å; L138-I188 HydrophobicContact CG-CG2 4.02Å
139P82.6Confident73.1Confident70 Ų7083.3 Ų83.346%0.45543%0.426SS..  trans-57.2152.4169.4-20.731.7000112.2F141 L142 R143P139-F141 HydrophobicContact CB-CD1 3.63Å; P139-F141 HydrophobicContact CB-CE1 3.65Å; P139-F141 HydrophobicContact CG-CD1 4.41Å; P139-F141 HydrophobicContact CG-CE1 3.93Å; P139-F141 PolarHBondContact O-N 3.47Å; P139-F141 VanDerWaalsContact O-N 3.09Å; P139-L142 PolarHBondContact O-N 2.89Å; P139-R143 PolarHBondContact O-N 3.26Å
140D80.6Confident74.9Confident116 Ų11687.6 Ų87.662%0.6244%0.443SS*.G310 helixtrans-56.6-32.9-172.9-64.3-37000114.2L142 R143D140-L142 PolarHBondContact O-N 2.88Å; D140-R143 PolarHBondContact O-N 2.95Å; D140-R143 VanDerWaalsContact O-N 3.09Å; D140-R143 IonicContact OD1-CZ 3.31Å; D140-R143 IonicContact OD1-NE 2.87Å; D140-R143 IonicContact OD1-NH1 2.86Å; D140-R143 PolarHBondContact OD1-NH1 3.33Å
141F85Confident76.8Confident146 Ų14684.3 Ų84.364%0.6442%0.421SS*.G310 helixtrans-62.5-30.3177.982.1-90.9000113.2P139 T144P139-F141 HydrophobicContact CB-CD1 3.63Å; P139-F141 HydrophobicContact CB-CE1 3.65Å; P139-F141 HydrophobicContact CG-CD1 4.41Å; P139-F141 HydrophobicContact CG-CE1 3.93Å; P139-F141 PolarHBondContact O-N 3.47Å; P139-F141 VanDerWaalsContact O-N 3.09Å; F141-T144 PolarHBondContact O-OG1 3.44Å; F141-T144 VanDerWaalsContact O-OG1 3.06Å
142L85.2Confident79Confident32 Ų3281 Ų8117%0.16840%0.4CS..G310 helixtrans-87.8-11.8177-69.3178.2000113.4L138 P139 D140 T144 G147 F150L138-L142 HydrophobicContact CB-CB 4.07Å; L138-L142 HydrophobicContact CD1-CB 4Å; L138-L142 HydrophobicContact CD1-CD1 4.4Å; L138-L142 HydrophobicContact CD2-CD1 4.07Å; P139-L142 PolarHBondContact O-N 2.89Å; D140-L142 PolarHBondContact O-N 2.88Å; L142-T144 PolarHBondContact O-N 2.7Å; L142-G147 CarbonylContact O-C 3.55Å; L142-F150 HydrophobicContact CD2-CD1 4.18Å
143R81.8Confident81.4Confident81 Ų8174.6 Ų74.631%0.30638%0.381SS..G310 helixtrans-79.5-6.3177-62.6178.3179.3-178.4-13.4113E135 S136 L138 P139 D140E135-R143 IonicContact OE2-CZ 3.42Å; E135-R143 IonicContact OE2-NH1 3.33Å; E135-R143 PolarHBondContact OE2-NH1 3.08Å; E135-R143 IonicContact OE2-NH2 3.6Å; E135-R143 PolarHBondContact OE2-NH2 3.01Å; S136-R143 VanDerWaalsContact O-CZ 3.3Å; S136-R143 PolarHBondContact O-NE 3.19Å; S136-R143 PolarHBondContact O-NH2 3.26Å; L138-R143 PolarHBondContact O-NE 2.98Å; P139-R143 PolarHBondContact O-N 3.26Å; D140-R143 PolarHBondContact O-N 2.95Å; D140-R143 VanDerWaalsContact O-N 3.09Å; D140-R143 IonicContact OD1-CZ 3.31Å; D140-R143 IonicContact OD1-NE 2.87Å; D140-R143 IonicContact OD1-NH1 2.86Å; D140-R143 PolarHBondContact OD1-NH1 3.33Å
144T87.8Confident83.6Confident55 Ų5576.2 Ų76.234%0.33738%0.384SS..SBendtrans-70.4161.9176.963.10000111.9F141 L142 Y146 G147 T148F141-T144 PolarHBondContact O-OG1 3.44Å; F141-T144 VanDerWaalsContact O-OG1 3.06Å; L142-T144 PolarHBondContact O-N 2.7Å; T144-Y146 PolarHBondContact O-N 3.24Å; T144-G147 PolarHBondContact O-N 3.42Å; T144-G147 VanDerWaalsContact O-N 3.15Å; T144-G147 PolarHBondContact OG1-N 3.4Å; T144-T148 PolarHBondContact O-N 3.31Å; T144-T148 PolarHBondContact O-OG1 2.95Å
145P86.9Confident85.6Confident64 Ų6469.8 Ų69.842%0.41636%0.357SS..Hα-helixtrans-53.9-41.3171.2-2936.7000112.9T148 L149 T197P145-T148 PolarHBondContact O-N 2.93Å; P145-L149 WeakPolarHBondContact O-CG 3.4Å; P145-L149 PolarHBondContact O-N 3.4Å; P145-T197 HydrophobicContact CB-CG2 4.07Å
146Y89.5Confident87.1Confident192 Ų19265 Ų6575%0.75334%0.335SS*.Hα-helixtrans-66.2-42.8176.2-54.7-67.5000112.5T144 T148 L149 F150T144-Y146 PolarHBondContact O-N 3.24Å; Y146-T148 VanDerWaalsContact C-N 3.32Å; Y146-T148 PolarHBondContact O-N 3.47Å; Y146-L149 PolarHBondContact O-N 2.89Å; Y146-F150 WeakPolarHBondContact O-CB 3.32Å; Y146-F150 PolarHBondContact O-N 3.13Å
147G90Very high88.3Confident6 Ų672.6 Ų72.66%0.06236%0.364CS..Hα-helixtrans-62.4-39.4175.400000112.6L142 T144 F150 L151L142-G147 CarbonylContact O-C 3.55Å; T144-G147 PolarHBondContact O-N 3.42Å; T144-G147 VanDerWaalsContact O-N 3.15Å; T144-G147 PolarHBondContact OG1-N 3.4Å; G147-F150 PolarHBondContact O-N 2.9Å; G147-L151 WeakPolarHBondContact O-CB 3.38Å; G147-L151 PolarHBondContact O-N 3.47Å
148T88.8Confident88.9Confident20 Ų2069.9 Ų69.912%0.12335%0.352CS..Hα-helixtrans-64.7-47175-57.80000111T144 P145 Y146 F150 L151 L152 A193 T197T144-T148 PolarHBondContact O-N 3.31Å; T144-T148 PolarHBondContact O-OG1 2.95Å; P145-T148 PolarHBondContact O-N 2.93Å; Y146-T148 VanDerWaalsContact C-N 3.32Å; Y146-T148 PolarHBondContact O-N 3.47Å; T148-F150 VanDerWaalsContact C-N 3.35Å; T148-F150 PolarHBondContact O-N 3.45Å; T148-L151 PolarHBondContact O-N 2.78Å; T148-L152 HydrophobicContact CG2-CD1 4.33Å; T148-L152 VanDerWaalsContact O-CG 3.31Å; T148-L152 WeakPolarHBondContact O-CG 3.34Å; T148-L152 PolarHBondContact O-N 3.19Å; T148-A193 HydrophobicContact CG2-CB 3.8Å; T148-T197 HydrophobicContact CG2-CG2 3.92Å
149L90.3Very high89.3Confident69 Ų6968.5 Ų68.536%0.36135%0.345SS..Hα-helixtrans-62.1-41.4175.5-71.7174.4000112.3P145 Y146 L151 L152 G153 L194 T197P145-L149 WeakPolarHBondContact O-CG 3.4Å; P145-L149 PolarHBondContact O-N 3.4Å; Y146-L149 PolarHBondContact O-N 2.89Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 PolarHBondContact O-N 3.09Å; L149-L152 PolarHBondContact O-N 2.94Å; L149-G153 PolarHBondContact O-N 3.19Å; L149-L194 HydrophobicContact CD2-CD1 3.96Å; L149-T197 HydrophobicContact CG-CG2 4.3Å
150F92.2Very high89.6Confident129 Ų12972.4 Ų72.457%0.56635%0.351SS*.Hα-helixtrans-58.7-46.3174.2172.3-101.4000111.2L142 Y146 G147 T148 G153 L154L142-F150 HydrophobicContact CD2-CD1 4.18Å; Y146-F150 WeakPolarHBondContact O-CB 3.32Å; Y146-F150 PolarHBondContact O-N 3.13Å; G147-F150 PolarHBondContact O-N 2.9Å; T148-F150 VanDerWaalsContact C-N 3.35Å; T148-F150 PolarHBondContact O-N 3.45Å; F150-G153 PolarHBondContact O-N 3.25Å; F150-L154 HydrophobicContact CE1-CD2 4.39Å; F150-L154 WeakPolarHBondContact O-CB 3.46Å; F150-L154 PolarHBondContact O-N 3.09Å
151L91.3Very high89.9Confident20 Ų2071.9 Ų71.911%0.10534%0.343CS..Hα-helixtrans-67.7-37.8179.7-177.161.8000112.7L138 G147 T148 L149 L154 T155 I188 L189L138-L151 HydrophobicContact CD1-CD2 3.69Å; G147-L151 WeakPolarHBondContact O-CB 3.38Å; G147-L151 PolarHBondContact O-N 3.47Å; T148-L151 PolarHBondContact O-N 2.78Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 PolarHBondContact O-N 3.09Å; L151-L154 HydrophobicContact CD1-CD2 4.42Å; L151-L154 PolarHBondContact O-N 3.23Å; L151-T155 WeakPolarHBondContact O-CB 3.46Å; L151-T155 PolarHBondContact O-N 3.07Å; L151-T155 PolarHBondContact O-OG1 2.7Å; L151-I188 HydrophobicContact CD1-CG2 4.45Å; L151-I188 HydrophobicContact CD2-CG2 3.61Å; L151-L189 HydrophobicContact CB-CD2 4.38Å; L151-L189 HydrophobicContact CD2-CD2 3.32Å; L151-L189 HydrophobicContact CD2-CG 3.74Å; L151-L189 HydrophobicContact CG-CD2 3.85Å; L151-L189 HydrophobicContact CG-CG 4.31Å
152L91.3Very high89.8Confident37 Ų3767.9 Ų67.919%0.19433%0.328CS..Hα-helixtrans-63.5-42.9172.1-68.6176.3000111M1 T148 L149 T155 M156 L189 L194M1-L152 HydrophobicContact CE-CD2 3.46Å; M1-L152 VanDerWaalsContact CE-CD2 3.46Å; T148-L152 HydrophobicContact CG2-CD1 4.33Å; T148-L152 VanDerWaalsContact O-CG 3.31Å; T148-L152 WeakPolarHBondContact O-CG 3.34Å; T148-L152 PolarHBondContact O-N 3.19Å; L149-L152 PolarHBondContact O-N 2.94Å; L152-T155 WeakPolarHBondContact O-CB 3.33Å; L152-T155 PolarHBondContact O-N 2.86Å; L152-M156 PolarHBondContact O-N 3.3Å; L152-L189 HydrophobicContact CD2-CD1 4.1Å; L152-L189 HydrophobicContact CD2-CD2 4.25Å; L152-L194 HydrophobicContact CD1-CB 4.29Å; L152-L194 HydrophobicContact CD1-CD1 4.08Å
153G92.4Very high89.5Confident43 Ų4367 Ų6744%0.44333%0.325SS..Hα-helixtrans-61.8-45.1174.200000112.6L149 F150 T155 M156 Y157L149-G153 PolarHBondContact O-N 3.19Å; F150-G153 PolarHBondContact O-N 3.25Å; G153-T155 VanDerWaalsContact C-N 3.35Å; G153-T155 PolarHBondContact O-N 2.87Å; G153-M156 PolarHBondContact O-N 2.77Å; G153-Y157 WeakPolarHBondContact O-CB 3.39Å; G153-Y157 PolarHBondContact O-N 3.19Å
154L94.6Very high89.1Confident76 Ų7669.7 Ų69.740%0.39834%0.34SS..Hα-helixtrans-61.6-43175-178.863.4000111.3F150 L151 M156 Y157 V158F150-L154 HydrophobicContact CE1-CD2 4.39Å; F150-L154 WeakPolarHBondContact O-CB 3.46Å; F150-L154 PolarHBondContact O-N 3.09Å; L151-L154 HydrophobicContact CD1-CD2 4.42Å; L151-L154 PolarHBondContact O-N 3.23Å; L154-M156 VanDerWaalsContact C-N 3.3Å; L154-M156 PolarHBondContact O-N 3.43Å; L154-Y157 PolarHBondContact O-N 2.93Å; L154-V158 HydrophobicContact CD1-CG2 4.37Å; L154-V158 WeakPolarHBondContact O-CG2 3.25Å; L154-V158 PolarHBondContact O-N 3.37Å
155T93.6Very high88.4Confident13 Ų1372.5 Ų72.58%0.0835%0.353CS..Hα-helixtrans-58.7-44.5175.3-57.20000110.6L151 L152 G153 S159 L179 L183L151-T155 WeakPolarHBondContact O-CB 3.46Å; L151-T155 PolarHBondContact O-N 3.07Å; L151-T155 PolarHBondContact O-OG1 2.7Å; L152-T155 WeakPolarHBondContact O-CB 3.33Å; L152-T155 PolarHBondContact O-N 2.86Å; G153-T155 VanDerWaalsContact C-N 3.35Å; G153-T155 PolarHBondContact O-N 2.87Å; T155-S159 WeakPolarHBondContact O-CB 3.39Å; T155-S159 PolarHBondContact O-N 3.2Å; T155-S159 PolarHBondContact O-OG 3.49Å; T155-L179 HydrophobicContact CG2-CB 3.83Å; T155-L179 HydrophobicContact CG2-CD1 4.35Å; T155-L183 HydrophobicContact CG2-CD1 3.97Å; T155-L183 VanDerWaalsContact OG1-CD1 3.24Å; T155-L183 WeakPolarHBondContact OG1-CD1 3.2Å
156M93.5Very high87.5Confident46 Ų4672 Ų7223%0.22735%0.348CS..Hα-helixtrans-67-39.1176.8-172.160.1-166.800112.4L152 G153 L154 S159 R160 A172 F173 A176L152-M156 PolarHBondContact O-N 3.3Å; G153-M156 PolarHBondContact O-N 2.77Å; L154-M156 VanDerWaalsContact C-N 3.3Å; L154-M156 PolarHBondContact O-N 3.43Å; M156-S159 WeakPolarHBondContact O-CB 3.43Å; M156-S159 PolarHBondContact O-N 2.81Å; M156-R160 HydrophobicContact CE-CG 3.93Å; M156-R160 PolarHBondContact O-N 3.44Å; M156-A172 HydrophobicContact CE-CB 4.06Å; M156-F173 HydrophobicContact CE-CD1 3.8Å; M156-F173 HydrophobicContact CE-CE1 3.53Å; M156-F173 HydrophobicContact CE-CZ 4.45Å; M156-F173 HydrophobicContact SD-CD1 4.32Å; M156-F173 HydrophobicContact SD-CE1 4.4Å; M156-A176 HydrophobicContact SD-CB 4.22Å
157Y94.8Very high86.1Confident168 Ų16868.1 Ų68.166%0.65934%0.341SS*.Hα-helixtrans-61.3-50175.9179.6-98.9000111.5G153 L154 S159 R160 F161G153-Y157 WeakPolarHBondContact O-CB 3.39Å; G153-Y157 PolarHBondContact O-N 3.19Å; L154-Y157 PolarHBondContact O-N 2.93Å; Y157-S159 VanDerWaalsContact C-N 3.28Å; Y157-S159 PolarHBondContact O-N 2.69Å; Y157-R160 PolarHBondContact O-N 3.19Å; Y157-F161 PolarHBondContact O-N 2.95Å
158V92.9Very high84.8Confident55 Ų5569.3 Ų69.333%0.33335%0.353SS..Hα-helixtrans-59.9-40.7174.5174.30000110.7L154 R160 F161 L162 L179L154-V158 HydrophobicContact CD1-CG2 4.37Å; L154-V158 WeakPolarHBondContact O-CG2 3.25Å; L154-V158 PolarHBondContact O-N 3.37Å; V158-R160 PolarHBondContact O-N 3.23Å; V158-F161 WeakPolarHBondContact O-CB 3.42Å; V158-F161 PolarHBondContact O-N 2.95Å; V158-L162 HydrophobicContact CG1-CD1 3.99Å; V158-L162 HydrophobicContact CG1-CG 4.24Å; V158-L162 WeakPolarHBondContact O-CB 3.41Å; V158-L162 WeakPolarHBondContact O-CG 3.42Å; V158-L162 PolarHBondContact O-N 3.47Å; V158-L179 HydrophobicContact CB-CD1 4.4Å; V158-L179 HydrophobicContact CG1-CD1 3.94Å
159S90.5Very high83.6Confident0 Ų070.3 Ų70.30%036%0.359CS..Hα-helixtrans-62.9-40.5177.9-57.60000112.7T155 M156 Y157 S163 A172 A176 L179T155-S159 WeakPolarHBondContact O-CB 3.39Å; T155-S159 PolarHBondContact O-N 3.2Å; T155-S159 PolarHBondContact O-OG 3.49Å; M156-S159 WeakPolarHBondContact O-CB 3.43Å; M156-S159 PolarHBondContact O-N 2.81Å; Y157-S159 VanDerWaalsContact C-N 3.28Å; Y157-S159 PolarHBondContact O-N 2.69Å; S159-S163 VanDerWaalsContact O-CB 3.23Å; S159-S163 WeakPolarHBondContact O-CB 3.14Å; S159-S163 PolarHBondContact O-N 3.02Å; S159-A172 WeakPolarHBondContact CB-O 3.37Å; S159-A176 WeakPolarHBondContact OG-CA 3.14Å; S159-A176 WeakPolarHBondContact OG-CB 3.45Å; S159-A176 PolarHBondContact OG-N 3.25Å; S159-L179 WeakPolarHBondContact OG-CD1 3.44Å
160R88.3Confident82.6Confident152 Ų15269.5 Ų69.557%0.57436%0.357SS*.Hα-helixtrans-66.1-42.4173.9-76.7-172.1171.8178-0.3111.7M156 Y157 V158 S163 Q164 A172M156-R160 HydrophobicContact CE-CG 3.93Å; M156-R160 PolarHBondContact O-N 3.44Å; Y157-R160 PolarHBondContact O-N 3.19Å; V158-R160 PolarHBondContact O-N 3.23Å; R160-S163 WeakPolarHBondContact O-CB 3.27Å; R160-S163 PolarHBondContact O-N 3.29Å; R160-Q164 WeakPolarHBondContact O-CB 3.37Å; R160-Q164 WeakPolarHBondContact O-CG 3.19Å; R160-Q164 PolarHBondContact O-N 3.34Å; R160-A172 HydrophobicContact CG-CB 3.95Å
161F87.3Confident81.6Confident106 Ų10664.1 Ų64.147%0.46533%0.334SS..Hα-helixtrans-59.5-48.9175.6176.7-102.7000111.5Y157 V158 S163 Q164 L165Y157-F161 PolarHBondContact O-N 2.95Å; V158-F161 WeakPolarHBondContact O-CB 3.42Å; V158-F161 PolarHBondContact O-N 2.95Å; F161-S163 VanDerWaalsContact C-N 3.33Å; F161-S163 PolarHBondContact O-N 3Å; F161-Q164 WeakPolarHBondContact O-CB 3.21Å; F161-Q164 PolarHBondContact O-N 2.63Å; F161-L165 HydrophobicContact CD1-CD1 4.29Å; F161-L165 HydrophobicContact CE1-CD1 3.79Å; F161-L165 HydrophobicContact CE1-CG 4.29Å; F161-L165 HydrophobicContact CZ-CD1 4.22Å; F161-L165 HydrophobicContact CZ-CD2 4.29Å; F161-L165 HydrophobicContact CZ-CG 4.4Å; F161-L165 WeakPolarHBondContact O-CG 3.29Å; F161-L165 PolarHBondContact O-N 3.47Å
162L82.6Confident81.2Confident62 Ų6263.8 Ų63.833%0.32533%0.334SS..Hα-helixtrans-63.4-38.4175.9-67.8177.1000112.2V158 Q164 L165 T166 I175 L179V158-L162 HydrophobicContact CG1-CD1 3.99Å; V158-L162 HydrophobicContact CG1-CG 4.24Å; V158-L162 WeakPolarHBondContact O-CB 3.41Å; V158-L162 WeakPolarHBondContact O-CG 3.42Å; V158-L162 PolarHBondContact O-N 3.47Å; L162-Q164 VanDerWaalsContact C-N 3.34Å; L162-L165 HydrophobicContact CD2-CD1 4.15Å; L162-L165 WeakPolarHBondContact O-CB 3.45Å; L162-L165 PolarHBondContact O-N 3.33Å; L162-T166 PolarHBondContact O-N 2.93Å; L162-I175 HydrophobicContact CB-CD1 3.83Å; L162-I175 HydrophobicContact CB-CG2 4.1Å; L162-I175 HydrophobicContact CD1-CG2 3.76Å; L162-L179 HydrophobicContact CD1-CD1 4.3Å
163S78.4Confident80.8Confident13 Ų1367.4 Ų67.49%0.09135%0.349CS..Hα-helixtrans-62.2-43174.8-1730000110.9S159 R160 F161 L165 T166 N167 G168 V170 A172S159-S163 VanDerWaalsContact O-CB 3.23Å; S159-S163 WeakPolarHBondContact O-CB 3.14Å; S159-S163 PolarHBondContact O-N 3.02Å; R160-S163 WeakPolarHBondContact O-CB 3.27Å; R160-S163 PolarHBondContact O-N 3.29Å; F161-S163 VanDerWaalsContact C-N 3.33Å; F161-S163 PolarHBondContact O-N 3Å; S163-L165 PolarHBondContact O-N 3.22Å; S163-T166 CarbonylContact O-C 3.44Å; S163-T166 WeakPolarHBondContact O-CA 3.36Å; S163-T166 PolarHBondContact O-N 3.49Å; S163-T166 PolarHBondContact O-OG1 2.94Å; S163-N167 PolarHBondContact O-N 3.26Å; S163-G168 PolarHBondContact O-N 3.47Å; S163-V170 WeakPolarHBondContact CB-O 3.35Å; S163-V170 PolarHBondContact OG-O 3.47Å; S163-A172 PolarHBondContact OG-N 2.86Å
164Q74.1Confident80Confident137 Ų13766.1 Ų66.164%0.6433%0.332SS*.Hα-helixtrans-62.1-38.4174.6-75.6175.1-18.200112.6R160 F161 L162 T166 N167R160-Q164 WeakPolarHBondContact O-CB 3.37Å; R160-Q164 WeakPolarHBondContact O-CG 3.19Å; R160-Q164 PolarHBondContact O-N 3.34Å; F161-Q164 WeakPolarHBondContact O-CB 3.21Å; F161-Q164 PolarHBondContact O-N 2.63Å; L162-Q164 VanDerWaalsContact C-N 3.34Å; Q164-T166 PolarHBondContact O-N 3.49Å; Q164-N167 PolarHBondContact O-N 3.05Å
165L72.3Confident79.4Confident115 Ų11563.4 Ų63.460%0.60232%0.318SS*.Hα-helixtrans-61.2-29172.6-65.7179.9000112.5F161 L162 S163 N167F161-L165 HydrophobicContact CD1-CD1 4.29Å; F161-L165 HydrophobicContact CE1-CD1 3.79Å; F161-L165 HydrophobicContact CE1-CG 4.29Å; F161-L165 HydrophobicContact CZ-CD1 4.22Å; F161-L165 HydrophobicContact CZ-CD2 4.29Å; F161-L165 HydrophobicContact CZ-CG 4.4Å; F161-L165 WeakPolarHBondContact O-CG 3.29Å; F161-L165 PolarHBondContact O-N 3.47Å; L162-L165 HydrophobicContact CD2-CD1 4.15Å; L162-L165 WeakPolarHBondContact O-CB 3.45Å; L162-L165 PolarHBondContact O-N 3.33Å; S163-L165 PolarHBondContact O-N 3.22Å; L165-N167 VanDerWaalsContact C-N 3.31Å
166T68.6Low79.1Confident52 Ų5263.9 Ų63.932%0.31932%0.323SS..THydrogen-bonded Turntrans-90.414.2173.3680000113.4L162 S163 Q164 G168 T169 V170L162-T166 PolarHBondContact O-N 2.93Å; S163-T166 CarbonylContact O-C 3.44Å; S163-T166 WeakPolarHBondContact O-CA 3.36Å; S163-T166 PolarHBondContact O-N 3.49Å; S163-T166 PolarHBondContact O-OG1 2.94Å; Q164-T166 PolarHBondContact O-N 3.49Å; T166-G168 PolarHBondContact O-N 3.35Å; T166-G168 VanDerWaalsContact O-N 3.14Å; T166-T169 VanDerWaalsContact O-CB 3.31Å; T166-T169 WeakPolarHBondContact O-CB 3.33Å; T166-T169 PolarHBondContact O-N 3.12Å; T166-T169 PolarHBondContact O-OG1 2.98Å; T166-V170 HydrophobicContact CG2-CG2 4.34Å; T166-V170 PolarHBondContact OG1-N 3.01Å
167N60.2Low78.6Confident112 Ų11263.7 Ų63.760%0.59932%0.323SS*.THydrogen-bonded Turntrans52.630.3-173.3-62.6-21.5000113.8S163 Q164 L165 T169S163-N167 PolarHBondContact O-N 3.26Å; Q164-N167 PolarHBondContact O-N 3.05Å; L165-N167 VanDerWaalsContact C-N 3.31Å; N167-T169 PolarHBondContact O-N 2.83Å
168G63.1Low78Confident30 Ų3059.6 Ų59.631%0.30931%0.312SS..THydrogen-bonded Turntrans74.72.5-17700000115.2S163 T166 V170S163-G168 PolarHBondContact O-N 3.47Å; T166-G168 PolarHBondContact O-N 3.35Å; T166-G168 VanDerWaalsContact O-N 3.14Å; G168-V170 VanDerWaalsContact C-N 3.25Å; G168-V170 PolarHBondContact O-N 3.07Å
169T63.3Low77.8Confident41 Ų4158.8 Ų58.825%0.25231%0.306SS..SBendtrans-57.4-41.4176.8-55.50000111.2T166 N167T166-T169 VanDerWaalsContact O-CB 3.31Å; T166-T169 WeakPolarHBondContact O-CB 3.33Å; T166-T169 PolarHBondContact O-N 3.12Å; T166-T169 PolarHBondContact O-OG1 2.98Å; N167-T169 PolarHBondContact O-N 2.83Å
170V69.2Low77.7Confident53 Ų5359 Ų5932%0.32131%0.308SS..SBendtrans-97.7115.8170.4-171.40000108.5S163 T166 G168 A172 V174 I175S163-V170 WeakPolarHBondContact CB-O 3.35Å; S163-V170 PolarHBondContact OG-O 3.47Å; T166-V170 HydrophobicContact CG2-CG2 4.34Å; T166-V170 PolarHBondContact OG1-N 3.01Å; G168-V170 VanDerWaalsContact C-N 3.25Å; G168-V170 PolarHBondContact O-N 3.07Å; V170-A172 PolarHBondContact O-N 3.35Å; V170-V174 HydrophobicContact CG1-CB 4.38Å; V170-V174 HydrophobicContact CG1-CG1 4.42Å; V170-I175 HydrophobicContact CB-CD1 4.24Å; V170-I175 HydrophobicContact CB-CG1 4.38Å; V170-I175 HydrophobicContact CG1-CD1 4.09Å; V170-I175 HydrophobicContact CG1-CG1 3.67Å
171N72.3Confident77.4Confident16 Ų1652 Ų529%0.08628%0.282CS..  trans-60.3135-177.7-175.6-44.8000111.3F173 V174 I175 S314N171-F173 PolarHBondContact O-N 2.96Å; N171-F173 VanDerWaalsContact O-N 3.1Å; N171-F173 WeakPolarHBondContact OD1-CB 3.23Å; N171-F173 WeakPolarHBondContact OD1-CD2 3.32Å; N171-F173 WeakPolarHBondContact OD1-CG 3.37Å; N171-F173 PolarHBondContact OD1-N 2.87Å; N171-V174 HydrophobicContact CB-CG2 3.98Å; N171-V174 WeakPolarHBondContact O-CB 3.34Å; N171-V174 PolarHBondContact O-N 3.08Å; N171-I175 PolarHBondContact O-N 3.49Å; N171-S314 PolarHBondContact ND2-OG 2.94Å
172A82.9Confident77.4Confident13 Ų1350 Ų5011%0.10728%0.275CS..Hα-helixtrans-52.9-32.8178.800000113.3M156 S159 R160 S163 V170 V174 I175 A176M156-A172 HydrophobicContact CE-CB 4.06Å; S159-A172 WeakPolarHBondContact CB-O 3.37Å; R160-A172 HydrophobicContact CG-CB 3.95Å; S163-A172 PolarHBondContact OG-N 2.86Å; V170-A172 PolarHBondContact O-N 3.35Å; A172-V174 VanDerWaalsContact C-N 3.33Å; A172-V174 PolarHBondContact O-N 2.84Å; A172-I175 PolarHBondContact O-N 2.84Å; A172-A176 VanDerWaalsContact O-CB 3.29Å; A172-A176 WeakPolarHBondContact O-CB 3.23Å; A172-A176 PolarHBondContact O-N 3.24Å
173F81.4Confident77.7Confident112 Ų11248.4 Ų48.449%0.49127%0.267SS..Hα-helixtrans-68.8-30.9176.9-58.9-50.4000113.3M156 N171 A176 L177M156-F173 HydrophobicContact CE-CD1 3.8Å; M156-F173 HydrophobicContact CE-CE1 3.53Å; M156-F173 HydrophobicContact CE-CZ 4.45Å; M156-F173 HydrophobicContact SD-CD1 4.32Å; M156-F173 HydrophobicContact SD-CE1 4.4Å; N171-F173 PolarHBondContact O-N 2.96Å; N171-F173 VanDerWaalsContact O-N 3.1Å; N171-F173 WeakPolarHBondContact OD1-CB 3.23Å; N171-F173 WeakPolarHBondContact OD1-CD2 3.32Å; N171-F173 WeakPolarHBondContact OD1-CG 3.37Å; N171-F173 PolarHBondContact OD1-N 2.87Å; F173-A176 PolarHBondContact O-N 3.35Å; F173-L177 WeakPolarHBondContact O-CB 3.33Å; F173-L177 PolarHBondContact O-N 2.8Å
174V76.6Confident78Confident16 Ų1649.4 Ų49.410%0.09727%0.269CS..Hα-helixtrans-72.3-43.4176.5-178.50000109.8V170 N171 A172 A176 L177 L178 T311V170-V174 HydrophobicContact CG1-CB 4.38Å; V170-V174 HydrophobicContact CG1-CG1 4.42Å; N171-V174 HydrophobicContact CB-CG2 3.98Å; N171-V174 WeakPolarHBondContact O-CB 3.34Å; N171-V174 PolarHBondContact O-N 3.08Å; A172-V174 VanDerWaalsContact C-N 3.33Å; A172-V174 PolarHBondContact O-N 2.84Å; V174-A176 VanDerWaalsContact C-N 3.3Å; V174-A176 PolarHBondContact O-N 3.44Å; V174-L177 WeakPolarHBondContact O-CB 3.36Å; V174-L177 PolarHBondContact O-N 3.32Å; V174-L178 WeakPolarHBondContact O-CG 3.49Å; V174-L178 PolarHBondContact O-N 3.25Å; V174-T311 HydrophobicContact CG1-CG2 3.99Å; V174-T311 HydrophobicContact CG2-CG2 3.96Å; V174-T311 WeakPolarHBondContact CG2-OG1 3.47Å
175I82Confident78.5Confident19 Ų1948.4 Ų48.410%0.09726%0.264CS..Hα-helixtrans-62-43.1173.6-57.7179000109.9L162 V170 N171 A172 L177 L178 L179L162-I175 HydrophobicContact CB-CD1 3.83Å; L162-I175 HydrophobicContact CB-CG2 4.1Å; L162-I175 HydrophobicContact CD1-CG2 3.76Å; V170-I175 HydrophobicContact CB-CD1 4.24Å; V170-I175 HydrophobicContact CB-CG1 4.38Å; V170-I175 HydrophobicContact CG1-CD1 4.09Å; V170-I175 HydrophobicContact CG1-CG1 3.67Å; N171-I175 PolarHBondContact O-N 3.49Å; A172-I175 PolarHBondContact O-N 2.84Å; I175-L177 VanDerWaalsContact C-N 3.31Å; I175-L177 PolarHBondContact O-N 2.81Å; I175-L178 PolarHBondContact O-N 3.46Å; I175-L179 HydrophobicContact CG2-CD1 4.02Å; I175-L179 HydrophobicContact CG2-CG 4.18Å; I175-L179 WeakPolarHBondContact O-CB 3.25Å; I175-L179 WeakPolarHBondContact O-CG 3.31Å; I175-L179 PolarHBondContact O-N 2.92Å
176A86.5Confident79.1Confident23 Ų2349 Ų4919%0.1926%0.262CS..Hα-helixtrans-62.1-37.5176.600000112.4M156 S159 A172 F173 V174 G180M156-A176 HydrophobicContact SD-CB 4.22Å; S159-A176 WeakPolarHBondContact OG-CA 3.14Å; S159-A176 WeakPolarHBondContact OG-CB 3.45Å; S159-A176 PolarHBondContact OG-N 3.25Å; A172-A176 VanDerWaalsContact O-CB 3.29Å; A172-A176 WeakPolarHBondContact O-CB 3.23Å; A172-A176 PolarHBondContact O-N 3.24Å; F173-A176 PolarHBondContact O-N 3.35Å; V174-A176 VanDerWaalsContact C-N 3.3Å; V174-A176 PolarHBondContact O-N 3.44Å; A176-G180 PolarHBondContact O-N 3.5Å
177L82.9Confident79.8Confident42 Ų4252.3 Ų52.322%0.2227%0.268CS..Hα-helixtrans-62.4-50.9172.9177.368.3000111.1F173 V174 I175 G180 I181 F307F173-L177 WeakPolarHBondContact O-CB 3.33Å; F173-L177 PolarHBondContact O-N 2.8Å; V174-L177 WeakPolarHBondContact O-CB 3.36Å; V174-L177 PolarHBondContact O-N 3.32Å; I175-L177 VanDerWaalsContact C-N 3.31Å; I175-L177 PolarHBondContact O-N 2.81Å; L177-G180 PolarHBondContact O-N 3.22Å; L177-I181 HydrophobicContact CD1-CD1 4.34Å; L177-I181 HydrophobicContact CG-CD1 4.17Å; L177-I181 VanDerWaalsContact O-CG1 3.31Å; L177-I181 WeakPolarHBondContact O-CG1 3.42Å; L177-I181 PolarHBondContact O-N 3.09Å; L177-F307 HydrophobicContact CD1-CD2 4.32Å; L177-F307 HydrophobicContact CD1-CE2 4.25Å; L177-F307 HydrophobicContact CD2-CB 3.96Å; L177-F307 HydrophobicContact CD2-CD1 4.46Å; L177-F307 HydrophobicContact CD2-CD2 4.03Å; L177-F307 HydrophobicContact CD2-CG 3.91Å
178L83.6Confident81Confident83 Ų8348.9 Ų48.944%0.43525%0.25SC..Hα-helixtrans-61.7-46.4179.6-67.8176.3000111.6V174 I175 G180 I181 I182V174-L178 WeakPolarHBondContact O-CG 3.49Å; V174-L178 PolarHBondContact O-N 3.25Å; I175-L178 PolarHBondContact O-N 3.46Å; L178-G180 VanDerWaalsContact C-N 3.33Å; L178-G180 PolarHBondContact O-N 2.87Å; L178-I181 PolarHBondContact O-N 2.83Å; L178-I182 WeakPolarHBondContact O-CD1 3Å; L178-I182 VanDerWaalsContact O-CG1 3.25Å; L178-I182 WeakPolarHBondContact O-CG1 3.48Å; L178-I182 PolarHBondContact O-N 3.32Å
179L88.2Confident82Confident38 Ų3847.8 Ų47.820%0.19924%0.237CC..Hα-helixtrans-60.8-42.6174.1-71.6-178.4000110.9T155 V158 S159 L162 I175 I181 I182 L183T155-L179 HydrophobicContact CG2-CB 3.83Å; T155-L179 HydrophobicContact CG2-CD1 4.35Å; V158-L179 HydrophobicContact CB-CD1 4.4Å; V158-L179 HydrophobicContact CG1-CD1 3.94Å; S159-L179 WeakPolarHBondContact OG-CD1 3.44Å; L162-L179 HydrophobicContact CD1-CD1 4.3Å; I175-L179 HydrophobicContact CG2-CD1 4.02Å; I175-L179 HydrophobicContact CG2-CG 4.18Å; I175-L179 WeakPolarHBondContact O-CB 3.25Å; I175-L179 WeakPolarHBondContact O-CG 3.31Å; I175-L179 PolarHBondContact O-N 2.92Å; L179-I181 VanDerWaalsContact C-N 3.31Å; L179-I181 PolarHBondContact O-N 3Å; L179-I182 PolarHBondContact O-N 3.41Å; L179-L183 VanDerWaalsContact O-CB 3.31Å; L179-L183 WeakPolarHBondContact O-CB 3.44Å; L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 2.99Å
180G87.4Confident82.7Confident5 Ų550.4 Ų50.45%0.05225%0.245CC..Hα-helixtrans-58.1-41.5175.200000112.9A176 L177 L178 R184A176-G180 PolarHBondContact O-N 3.5Å; L177-G180 PolarHBondContact O-N 3.22Å; L178-G180 VanDerWaalsContact C-N 3.33Å; L178-G180 PolarHBondContact O-N 2.87Å; G180-R184 WeakPolarHBondContact O-CB 3.44Å; G180-R184 PolarHBondContact O-N 2.97Å
181I83.2Confident82.9Confident4 Ų449.2 Ų49.22%0.02124%0.238CC..Hα-helixtrans-66-44.5175.6-64.8167.2000110.7M2 F4 L7 L177 L178 L179 R184 H185M2-I181 HydrophobicContact CB-CG1 4.39Å; F4-I181 HydrophobicContact CD1-CG2 4.02Å; F4-I181 HydrophobicContact CD2-CG2 3.76Å; F4-I181 HydrophobicContact CE1-CG2 4.06Å; F4-I181 HydrophobicContact CE2-CG2 3.81Å; F4-I181 HydrophobicContact CG-CG2 3.87Å; F4-I181 HydrophobicContact CZ-CG2 3.96Å; L7-I181 HydrophobicContact CD1-CD1 4.27Å; L7-I181 HydrophobicContact CD2-CD1 4.05Å; L177-I181 HydrophobicContact CD1-CD1 4.34Å; L177-I181 HydrophobicContact CG-CD1 4.17Å; L177-I181 VanDerWaalsContact O-CG1 3.31Å; L177-I181 WeakPolarHBondContact O-CG1 3.42Å; L177-I181 PolarHBondContact O-N 3.09Å; L178-I181 PolarHBondContact O-N 2.83Å; L179-I181 VanDerWaalsContact C-N 3.31Å; L179-I181 PolarHBondContact O-N 3Å; I181-R184 PolarHBondContact O-N 3.31Å; I181-H185 WeakPolarHBondContact O-CB 3.39Å; I181-H185 PolarHBondContact O-N 2.95Å
182I86.7Confident83Confident63 Ų6351.5 Ų51.532%0.32325%0.25SS..Hα-helixtrans-62.8-48.2178.1-69.1164.2000110.9F4 L178 L179 R184 H185 F186F4-I182 HydrophobicContact CE2-CG1 4.49Å; F4-I182 HydrophobicContact CZ-CG1 4.06Å; L178-I182 WeakPolarHBondContact O-CD1 3Å; L178-I182 VanDerWaalsContact O-CG1 3.25Å; L178-I182 WeakPolarHBondContact O-CG1 3.48Å; L178-I182 PolarHBondContact O-N 3.32Å; L179-I182 PolarHBondContact O-N 3.41Å; I182-R184 VanDerWaalsContact C-N 3.31Å; I182-R184 PolarHBondContact O-N 2.94Å; I182-H185 WeakPolarHBondContact O-CB 3.46Å; I182-H185 PolarHBondContact O-N 3.09Å; I182-H185 VanDerWaalsContact O-N 3.09Å; I182-F186 HydrophobicContact CG2-CD2 3.71Å; I182-F186 HydrophobicContact CG2-CE2 3.74Å; I182-F186 VanDerWaalsContact O-CD2 3.32Å; I182-F186 WeakPolarHBondContact O-CD2 3.49Å; I182-F186 PolarHBondContact O-N 3.26Å
183L89.8Confident82.8Confident30 Ų3051 Ų5116%0.15725%0.246CC..Hα-helixtrans-64.6-35.3178.8-67.4176.8000111.7T155 L179 R187 I188 L189T155-L183 HydrophobicContact CG2-CD1 3.97Å; T155-L183 VanDerWaalsContact OG1-CD1 3.24Å; T155-L183 WeakPolarHBondContact OG1-CD1 3.2Å; L179-L183 VanDerWaalsContact O-CB 3.31Å; L179-L183 WeakPolarHBondContact O-CB 3.44Å; L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 2.99Å; L183-R187 PolarHBondContact O-N 2.97Å; L183-I188 HydrophobicContact CB-CB 4.35Å; L183-I188 HydrophobicContact CD2-CB 4.18Å; L183-I188 HydrophobicContact CD2-CD1 3.62Å; L183-I188 HydrophobicContact CD2-CG1 4.46Å; L183-I188 HydrophobicContact CD2-CG2 4.18Å; L183-I188 PolarHBondContact O-N 2.87Å; L183-L189 HydrophobicContact CB-CB 4.29Å; L183-L189 HydrophobicContact CB-CD1 3.79Å; L183-L189 HydrophobicContact CB-CG 4.06Å; L183-L189 HydrophobicContact CD1-CD1 3.69Å; L183-L189 HydrophobicContact CD1-CG 4.38Å; L183-L189 HydrophobicContact CG-CD1 4.41Å; L183-L189 PolarHBondContact O-N 2.92Å
184R83.7Confident82.8Confident33 Ų3347.6 Ų47.613%0.12523%0.232CC..Hα-helixtrans-64.1-44169.9-176.5-175177.3-171.3-0.9110.9M1 M2 S3 D6 N129 G180 I181 I182 F186 R187M1-R184 PolarHBondContact O-NH1 3.09Å; M2-R184 VanDerWaalsContact C-NH1 3.28Å; S3-R184 VanDerWaalsContact CB-NH1 3.32Å; D6-R184 IonicContact OD2-NH1 2.75Å; N129-R184 PolarHBondContact OD1-NH2 3.45Å; G180-R184 WeakPolarHBondContact O-CB 3.44Å; G180-R184 PolarHBondContact O-N 2.97Å; I181-R184 PolarHBondContact O-N 3.31Å; I182-R184 VanDerWaalsContact C-N 3.31Å; I182-R184 PolarHBondContact O-N 2.94Å; R184-F186 PolarHBondContact O-N 3.06Å; R184-R187 PolarHBondContact O-N 3.02Å
185H83.8Confident82.8Confident116 Ų11650 Ų5054%0.53725%0.25SC..Hα-helixtrans-61.2-44.9-179.7-174.971.9000112.6F4 I181 I182 R187F4-H185 HydrophobicContact CD2-CB 3.6Å; F4-H185 AromaticContact CD2-CG 3.6Å; F4-H185 AromaticContact CD2-ND1 3.6Å; F4-H185 HydrophobicContact CE2-CB 3.53Å; F4-H185 AromaticContact CE2-CG 3.69Å; I181-H185 WeakPolarHBondContact O-CB 3.39Å; I181-H185 PolarHBondContact O-N 2.95Å; I182-H185 WeakPolarHBondContact O-CB 3.46Å; I182-H185 PolarHBondContact O-N 3.09Å; I182-H185 VanDerWaalsContact O-N 3.09Å; H185-R187 PolarHBondContact O-N 3.45Å
186F85.7Confident82.3Confident128 Ų12852.2 Ų52.256%0.56127%0.267SS*.THydrogen-bonded Turntrans-76.76.2174.5-71.3-67.4000113.9I137 I182 R184 I188I137-F186 WeakPolarHBondContact CD1-O 3.25Å; I182-F186 HydrophobicContact CG2-CD2 3.71Å; I182-F186 HydrophobicContact CG2-CE2 3.74Å; I182-F186 VanDerWaalsContact O-CD2 3.32Å; I182-F186 WeakPolarHBondContact O-CD2 3.49Å; I182-F186 PolarHBondContact O-N 3.26Å; R184-F186 PolarHBondContact O-N 3.06Å; F186-I188 HydrophobicContact CB-CD1 4.16Å; F186-I188 HydrophobicContact CB-CG1 4.1Å; F186-I188 PolarHBondContact O-N 3.48Å
187R82.8Confident82.2Confident121 Ų12151.8 Ų51.846%0.45726%0.262SS..THydrogen-bonded Turntrans56.727.9-179-53.8-177.1-176.4148.67.4114.1S136 I137 L183 R184 H185S136-R187 VanDerWaalsContact CA-O 3.23Å; S136-R187 WeakPolarHBondContact CA-O 3.28Å; S136-R187 PolarHBondContact OG-O 3.4Å; I137-R187 HydrophobicContact CG2-CB 4.32Å; I137-R187 PolarHBondContact N-O 3.44Å; L183-R187 PolarHBondContact O-N 2.97Å; R184-R187 PolarHBondContact O-N 3.02Å; H185-R187 PolarHBondContact O-N 3.45Å
188I86.2Confident82.1Confident41 Ų4157.2 Ų57.221%0.2129%0.291CS..SBendtrans-75.9-47.7171.8-60.9176.4000107.9S136 I137 L138 L151 L183 F186S136-I188 PolarHBondContact OG-O 3.4Å; I137-I188 HydrophobicContact CD1-CG1 4.13Å; I137-I188 HydrophobicContact CG1-CG1 4.3Å; L138-I188 HydrophobicContact CD1-CG2 3.88Å; L138-I188 WeakPolarHBondContact CD1-O 3.2Å; L138-I188 HydrophobicContact CD2-CG2 3.89Å; L138-I188 HydrophobicContact CG-CG2 4.02Å; L151-I188 HydrophobicContact CD1-CG2 4.45Å; L151-I188 HydrophobicContact CD2-CG2 3.61Å; L183-I188 HydrophobicContact CB-CB 4.35Å; L183-I188 HydrophobicContact CD2-CB 4.18Å; L183-I188 HydrophobicContact CD2-CD1 3.62Å; L183-I188 HydrophobicContact CD2-CG1 4.46Å; L183-I188 HydrophobicContact CD2-CG2 4.18Å; L183-I188 PolarHBondContact O-N 2.87Å; F186-I188 HydrophobicContact CB-CD1 4.16Å; F186-I188 HydrophobicContact CB-CG1 4.1Å; F186-I188 PolarHBondContact O-N 3.48Å
189L83.6Confident82.2Confident6 Ų654.7 Ų54.73%0.03128%0.281CS..SBendtrans-103137.5175.5-73.5173.4000111.9M1 L151 L152 L183 A193M1-L189 HydrophobicContact CE-CD1 3.87Å; M1-L189 HydrophobicContact SD-CB 4.26Å; M1-L189 HydrophobicContact SD-CD1 3.99Å; L151-L189 HydrophobicContact CB-CD2 4.38Å; L151-L189 HydrophobicContact CD2-CD2 3.32Å; L151-L189 HydrophobicContact CD2-CG 3.74Å; L151-L189 HydrophobicContact CG-CD2 3.85Å; L151-L189 HydrophobicContact CG-CG 4.31Å; L152-L189 HydrophobicContact CD2-CD1 4.1Å; L152-L189 HydrophobicContact CD2-CD2 4.25Å; L183-L189 HydrophobicContact CB-CB 4.29Å; L183-L189 HydrophobicContact CB-CD1 3.79Å; L183-L189 HydrophobicContact CB-CG 4.06Å; L183-L189 HydrophobicContact CD1-CD1 3.69Å; L183-L189 HydrophobicContact CD1-CG 4.38Å; L183-L189 HydrophobicContact CG-CD1 4.41Å; L183-L189 PolarHBondContact O-N 2.92Å; L189-A193 HydrophobicContact CD2-CB 4.3Å
190K78.8Confident82Confident97 Ų9755.6 Ų55.642%0.42228%0.283SS..PPolyproline II helixtrans-73.3153172.5-66.5-177.5-179.4179.40111.1N192 A193K190-N192 PolarHBondContact O-N 3.15Å; K190-A193 WeakPolarHBondContact O-CB 3.32Å; K190-A193 PolarHBondContact O-N 2.97Å
191P72Confident82Confident27 Ų2757.2 Ų57.218%0.17530%0.3CS..THydrogen-bonded Turntrans-52.5140.8164-21.133.1000110E128 A133 A193E128-P191 WeakPolarHBondContact O-CG 3.44Å; A133-P191 HydrophobicContact CB-CG 3.92Å; P191-A193 PolarHBondContact O-N 3.3Å; P191-A193 VanDerWaalsContact O-N 3.09Å
192N74.6Confident82.3Confident65 Ų6563 Ų6335%0.34833%0.331SS..THydrogen-bonded Turntrans47.739.5-177.8-64.5-23.4000114.5M1 N129 K190 L194 S195 S196M1-N192 PolarHBondContact N-OD1 2.91Å; M1-N192 VanDerWaalsContact N-OD1 3.14Å; N129-N192 PolarHBondContact O-ND2 3.07Å; K190-N192 PolarHBondContact O-N 3.15Å; N192-L194 PolarHBondContact O-N 2.81Å; N192-S195 WeakPolarHBondContact CB-OG 3.49Å; N192-S195 PolarHBondContact O-N 3.4Å; N192-S195 PolarHBondContact O-OG 3.37Å; N192-S196 PolarHBondContact O-N 3.22Å
193A79.7Confident82.3Confident2 Ų263.4 Ų63.42%0.01733%0.333CS..THydrogen-bonded Turntrans-44.1-37.8-178.800000114.7T148 L189 K190 P191 S196T148-A193 HydrophobicContact CG2-CB 3.8Å; L189-A193 HydrophobicContact CD2-CB 4.3Å; K190-A193 WeakPolarHBondContact O-CB 3.32Å; K190-A193 PolarHBondContact O-N 2.97Å; P191-A193 PolarHBondContact O-N 3.3Å; P191-A193 VanDerWaalsContact O-N 3.09Å; A193-S196 PolarHBondContact O-N 2.71Å; A193-S196 PolarHBondContact O-OG 2.88Å
194L80.8Confident82.2Confident40 Ų4063.2 Ų63.221%0.20933%0.332CS..THydrogen-bonded Turntrans-75.4-28.7-179.1-172.265.9000114.1L149 L152 N192 S196 T197 F200 L203L149-L194 HydrophobicContact CD2-CD1 3.96Å; L152-L194 HydrophobicContact CD1-CB 4.29Å; L152-L194 HydrophobicContact CD1-CD1 4.08Å; N192-L194 PolarHBondContact O-N 2.81Å; L194-S196 VanDerWaalsContact C-N 3.28Å; L194-T197 PolarHBondContact O-N 2.76Å; L194-T197 PolarHBondContact O-OG1 3.48Å; L194-F200 HydrophobicContact CB-CD2 4.49Å; L194-F200 HydrophobicContact CD2-CD2 3.69Å; L194-F200 HydrophobicContact CD2-CE2 4.33Å; L194-F200 HydrophobicContact CG-CB 4.38Å; L194-F200 HydrophobicContact CG-CD2 3.99Å; L194-L203 HydrophobicContact CD1-CD2 4.12Å; L194-L203 HydrophobicContact CD2-CD2 3.33Å; L194-L203 HydrophobicContact CG-CD2 4.31Å
195S76.7Confident82.5Confident66 Ų6666.5 Ų66.546%0.46235%0.35SS..G310 helixtrans-72.4-27.1175.562.90000111.4N192 T197N192-S195 WeakPolarHBondContact CB-OG 3.49Å; N192-S195 PolarHBondContact O-N 3.4Å; N192-S195 PolarHBondContact O-OG 3.37Å; S195-T197 PolarHBondContact O-N 3.24Å
196S72.3Confident82.8Confident66 Ų6663.3 Ų63.346%0.46234%0.342SS..G310 helixtrans-72.4-5.5176.364.20000115N192 A193 L194N192-S196 PolarHBondContact O-N 3.22Å; A193-S196 PolarHBondContact O-N 2.71Å; A193-S196 PolarHBondContact O-OG 2.88Å; L194-S196 VanDerWaalsContact C-N 3.28Å
197T83.4Confident82.8Confident14 Ų1459.5 Ų59.59%0.08633%0.327CS..G310 helixtrans-101.14.4-17959.70000113.7P145 T148 L149 L194 S195 S199P145-T197 HydrophobicContact CB-CG2 4.07Å; T148-T197 HydrophobicContact CG2-CG2 3.92Å; L149-T197 HydrophobicContact CG-CG2 4.3Å; L194-T197 PolarHBondContact O-N 2.76Å; L194-T197 PolarHBondContact O-OG1 3.48Å; S195-T197 PolarHBondContact O-N 3.24Å; T197-S199 PolarHBondContact O-N 2.93Å; T197-S199 PolarHBondContact OG1-OG 3.48Å
198D81.1Confident82.9Confident156 Ų15657.4 Ų57.483%0.83432%0.323SS*.SBendtrans52.30.6-171.7-67.1-33.9000115.6
199S86Confident82.8Confident30 Ų3060.1 Ų60.121%0.2134%0.341CS..  trans-88.1-7.4179.764.60000112.9T197 G201 L202 L203T197-S199 PolarHBondContact O-N 2.93Å; T197-S199 PolarHBondContact OG1-OG 3.48Å; S199-G201 PolarHBondContact O-N 2.85Å; S199-L202 PolarHBondContact O-N 3.45Å; S199-L203 WeakPolarHBondContact O-CB 3.5Å; S199-L203 PolarHBondContact O-N 3.21Å
200F84Confident82.7Confident57 Ų5765.9 Ų65.925%0.2537%0.371CS..Hα-helixtrans-54.7-48.8-178.1-179.5-100.8000112L194 L202 L203 M204 M274L194-F200 HydrophobicContact CB-CD2 4.49Å; L194-F200 HydrophobicContact CD2-CD2 3.69Å; L194-F200 HydrophobicContact CD2-CE2 4.33Å; L194-F200 HydrophobicContact CG-CB 4.38Å; L194-F200 HydrophobicContact CG-CD2 3.99Å; F200-L202 PolarHBondContact O-N 3.49Å; F200-L203 PolarHBondContact O-N 2.88Å; F200-M204 HydrophobicContact CD1-CG 4.03Å; F200-M204 HydrophobicContact CD2-CG 4.14Å; F200-M204 HydrophobicContact CE1-CG 3.61Å; F200-M204 HydrophobicContact CE1-SD 4.45Å; F200-M204 HydrophobicContact CE2-CG 3.73Å; F200-M204 HydrophobicContact CE2-SD 3.78Å; F200-M204 HydrophobicContact CG-CG 4.27Å; F200-M204 HydrophobicContact CZ-CE 4.28Å; F200-M204 HydrophobicContact CZ-CG 3.44Å; F200-M204 VanDerWaalsContact CZ-CG 3.44Å; F200-M204 HydrophobicContact CZ-SD 3.7Å; F200-M204 WeakPolarHBondContact O-CB 3.37Å; F200-M204 WeakPolarHBondContact O-CG 3.23Å; F200-M204 PolarHBondContact O-N 3.31Å; F200-M274 HydrophobicContact CE2-CE 4.45Å; F200-M274 HydrophobicContact CE2-SD 4.47Å; F200-M274 HydrophobicContact CZ-CE 4.11Å; F200-M274 HydrophobicContact CZ-SD 3.67Å
201G86.6Confident82.4Confident40 Ų4062.9 Ų62.941%0.41236%0.364SS..Hα-helixtrans-59.4-48.6-179.800000112.8S199 L203 M204 I205S199-G201 PolarHBondContact O-N 2.85Å; G201-L203 PolarHBondContact O-N 3.37Å; G201-M204 PolarHBondContact O-N 2.91Å; G201-I205 WeakPolarHBondContact O-CG1 3.37Å; G201-I205 PolarHBondContact O-N 3.1Å
202L89.7Confident82.4Confident125 Ų12565.3 Ų65.365%0.65437%0.372SS*.Hα-helixtrans-62.5-42.3177.2-17765.8000111.6S199 F200 M204 I205 S206S199-L202 PolarHBondContact O-N 3.45Å; F200-L202 PolarHBondContact O-N 3.49Å; L202-M204 VanDerWaalsContact C-N 3.34Å; L202-M204 PolarHBondContact O-N 2.93Å; L202-I205 PolarHBondContact O-N 2.84Å; L202-S206 WeakPolarHBondContact O-CB 3.49Å; L202-S206 PolarHBondContact O-N 3.48Å; L202-S206 PolarHBondContact O-OG 2.8Å
203L87.3Confident82.5Confident72 Ų7263.9 Ų63.938%0.37737%0.373SS..Hα-helixtrans-64-41.4178.1-170.974.5000111L194 S199 F200 G201 S206 I207L194-L203 HydrophobicContact CD1-CD2 4.12Å; L194-L203 HydrophobicContact CD2-CD2 3.33Å; L194-L203 HydrophobicContact CG-CD2 4.31Å; S199-L203 WeakPolarHBondContact O-CB 3.5Å; S199-L203 PolarHBondContact O-N 3.21Å; F200-L203 PolarHBondContact O-N 2.88Å; G201-L203 PolarHBondContact O-N 3.37Å; L203-S206 WeakPolarHBondContact O-CB 3.37Å; L203-S206 PolarHBondContact O-N 3.2Å; L203-I207 HydrophobicContact CD1-CD1 4.37Å; L203-I207 HydrophobicContact CD2-CD1 3.97Å; L203-I207 HydrophobicContact CG-CD1 3.74Å; L203-I207 HydrophobicContact CG-CG1 4.23Å; L203-I207 WeakPolarHBondContact O-CB 3.2Å; L203-I207 VanDerWaalsContact O-CG1 3.29Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 2.76Å
204M87Confident82.2Confident25 Ų2565.7 Ų65.712%0.12338%0.384CS..Hα-helixtrans-64.5-43.4178.7-70.7-59.5-68.200111.8F200 G201 L202 S206 I207 M208 F270 P271 M274 V275F200-M204 HydrophobicContact CD1-CG 4.03Å; F200-M204 HydrophobicContact CD2-CG 4.14Å; F200-M204 HydrophobicContact CE1-CG 3.61Å; F200-M204 HydrophobicContact CE1-SD 4.45Å; F200-M204 HydrophobicContact CE2-CG 3.73Å; F200-M204 HydrophobicContact CE2-SD 3.78Å; F200-M204 HydrophobicContact CG-CG 4.27Å; F200-M204 HydrophobicContact CZ-CE 4.28Å; F200-M204 HydrophobicContact CZ-CG 3.44Å; F200-M204 VanDerWaalsContact CZ-CG 3.44Å; F200-M204 HydrophobicContact CZ-SD 3.7Å; F200-M204 WeakPolarHBondContact O-CB 3.37Å; F200-M204 WeakPolarHBondContact O-CG 3.23Å; F200-M204 PolarHBondContact O-N 3.31Å; G201-M204 PolarHBondContact O-N 2.91Å; L202-M204 VanDerWaalsContact C-N 3.34Å; L202-M204 PolarHBondContact O-N 2.93Å; M204-S206 VanDerWaalsContact C-N 3.31Å; M204-S206 PolarHBondContact O-N 3.42Å; M204-I207 PolarHBondContact O-N 3.2Å; M204-M208 WeakPolarHBondContact O-CB 3.31Å; M204-M208 PolarHBondContact O-N 2.86Å; M204-F270 HydrophobicContact CE-CZ 4.17Å; M204-F270 HydrophobicContact SD-CE1 4.27Å; M204-F270 HydrophobicContact SD-CZ 3.75Å; M204-P271 HydrophobicContact CE-CB 3.3Å; M204-P271 HydrophobicContact CE-CG 4.39Å; M204-P271 HydrophobicContact SD-CB 4.31Å; M204-M274 HydrophobicContact CE-SD 3.93Å; M204-V275 HydrophobicContact CE-CG2 4.45Å
205I90.4Very high81.7Confident102 Ų10266.9 Ų66.952%0.52339%0.39SS..Hα-helixtrans-58.4-46.6171.9-66.3167.1000110G201 L202 I207 M208 V209G201-I205 WeakPolarHBondContact O-CG1 3.37Å; G201-I205 PolarHBondContact O-N 3.1Å; L202-I205 PolarHBondContact O-N 2.84Å; I205-I207 PolarHBondContact O-N 3.36Å; I205-M208 PolarHBondContact O-N 3.19Å; I205-V209 WeakPolarHBondContact O-CG2 3.36Å; I205-V209 PolarHBondContact O-N 3.33Å
206S90.3Very high81.8Confident50 Ų5068.1 Ų68.135%0.3541%0.405SS..Hα-helixtrans-61.3-47.9-179.8-53.20000112.3L202 L203 M204 M208 V209 I210L202-S206 WeakPolarHBondContact O-CB 3.49Å; L202-S206 PolarHBondContact O-N 3.48Å; L202-S206 PolarHBondContact O-OG 2.8Å; L203-S206 WeakPolarHBondContact O-CB 3.37Å; L203-S206 PolarHBondContact O-N 3.2Å; M204-S206 VanDerWaalsContact C-N 3.31Å; M204-S206 PolarHBondContact O-N 3.42Å; S206-M208 VanDerWaalsContact C-N 3.28Å; S206-M208 PolarHBondContact O-N 3.18Å; S206-V209 PolarHBondContact O-N 3.07Å; S206-I210 WeakPolarHBondContact O-CG1 3.39Å; S206-I210 PolarHBondContact O-N 3.21Å
207I86.1Confident81.8Confident48 Ų4870 Ų7025%0.24641%0.41CS..Hα-helixtrans-64.6-37.1178.1-67.7171.1000110.1L203 M204 I205 I210 A211 F270 P271L203-I207 HydrophobicContact CD1-CD1 4.37Å; L203-I207 HydrophobicContact CD2-CD1 3.97Å; L203-I207 HydrophobicContact CG-CD1 3.74Å; L203-I207 HydrophobicContact CG-CG1 4.23Å; L203-I207 WeakPolarHBondContact O-CB 3.2Å; L203-I207 VanDerWaalsContact O-CG1 3.29Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 2.76Å; M204-I207 PolarHBondContact O-N 3.2Å; I205-I207 PolarHBondContact O-N 3.36Å; I207-I210 PolarHBondContact O-N 2.94Å; I207-A211 WeakPolarHBondContact O-CB 3.48Å; I207-A211 PolarHBondContact O-N 3.49Å; I207-F270 HydrophobicContact CD1-CE1 4.33Å; I207-P271 HydrophobicContact CG2-CG 3.87Å
208M83.8Confident81.5Confident76 Ų7671.5 Ų71.537%0.37442%0.416SS..Hα-helixtrans-66.8-42.5178.6-169168.56900111.8M204 I205 S206 I210 A211 F212M204-M208 WeakPolarHBondContact O-CB 3.31Å; M204-M208 PolarHBondContact O-N 2.86Å; I205-M208 PolarHBondContact O-N 3.19Å; S206-M208 VanDerWaalsContact C-N 3.28Å; S206-M208 PolarHBondContact O-N 3.18Å; M208-I210 VanDerWaalsContact C-N 3.3Å; M208-I210 PolarHBondContact O-N 3.36Å; M208-A211 PolarHBondContact O-N 3Å; M208-F212 HydrophobicContact CG-CD2 3.38Å; M208-F212 HydrophobicContact CG-CE2 3.16Å; M208-F212 HydrophobicContact CG-CG 4.37Å; M208-F212 HydrophobicContact CG-CZ 3.99Å; M208-F212 WeakPolarHBondContact O-CB 3.1Å; M208-F212 WeakPolarHBondContact O-CG 3.48Å; M208-F212 PolarHBondContact O-N 2.71Å; M208-F212 HydrophobicContact SD-CD2 4.32Å; M208-F212 HydrophobicContact SD-CE2 3.7Å
209V85.7Confident81.6Confident98 Ų9867.1 Ų67.159%0.59440%0.396SS*.Hα-helixtrans-59.7-41.8172.2171.20000110.9I205 S206 G213I205-V209 WeakPolarHBondContact O-CG2 3.36Å; I205-V209 PolarHBondContact O-N 3.33Å; S206-V209 PolarHBondContact O-N 3.07Å; V209-G213 VanDerWaalsContact O-CA 3.29Å; V209-G213 WeakPolarHBondContact O-CA 3.18Å; V209-G213 PolarHBondContact O-N 3.41Å
210I81.2Confident81.6Confident128 Ų12870.4 Ų70.466%0.65642%0.416SS*.Hα-helixtrans-68.5-43.4177-66.9165.4000111.6S206 I207 M208 F212 P214S206-I210 WeakPolarHBondContact O-CG1 3.39Å; S206-I210 PolarHBondContact O-N 3.21Å; I207-I210 PolarHBondContact O-N 2.94Å; M208-I210 VanDerWaalsContact C-N 3.3Å; M208-I210 PolarHBondContact O-N 3.36Å; I210-F212 VanDerWaalsContact C-N 3.33Å; I210-F212 PolarHBondContact O-N 3.42Å; I210-P214 WeakPolarHBondContact O-CD 3.33Å
211A72.5Confident81.7Confident34 Ų3470.2 Ų70.228%0.28143%0.425SS..Hα-helixtrans-69.5-31.6-176.900000112.3I207 M208I207-A211 WeakPolarHBondContact O-CB 3.48Å; I207-A211 PolarHBondContact O-N 3.49Å; M208-A211 PolarHBondContact O-N 3Å
212F72.4Confident81.6Confident77 Ų7769.1 Ų69.134%0.33841%0.41SS..Hα-helixtrans-101.9-13.3-179.2-57.7-22.9000113.8F96 M208 I210 P214 L215F96-F212 HydrophobicContact CD2-CE1 4.46Å; F96-F212 HydrophobicContact CE2-CD1 4.18Å; F96-F212 AromaticContact CE2-CE1 3.35Å; F96-F212 HydrophobicContact CE2-CE1 3.35Å; F96-F212 AromaticContact CE2-CZ 3.86Å; F96-F212 HydrophobicContact CE2-CZ 3.86Å; F96-F212 AromaticContact CZ-CE1 3.51Å; F96-F212 HydrophobicContact CZ-CE1 3.51Å; F96-F212 HydrophobicContact CZ-CZ 4.05Å; M208-F212 HydrophobicContact CG-CD2 3.38Å; M208-F212 HydrophobicContact CG-CE2 3.16Å; M208-F212 HydrophobicContact CG-CG 4.37Å; M208-F212 HydrophobicContact CG-CZ 3.99Å; M208-F212 WeakPolarHBondContact O-CB 3.1Å; M208-F212 WeakPolarHBondContact O-CG 3.48Å; M208-F212 PolarHBondContact O-N 2.71Å; M208-F212 HydrophobicContact SD-CD2 4.32Å; M208-F212 HydrophobicContact SD-CE2 3.7Å; I210-F212 VanDerWaalsContact C-N 3.33Å; I210-F212 PolarHBondContact O-N 3.42Å; F212-P214 VanDerWaalsContact C-CD 3.43Å; F212-P214 VanDerWaalsContact C-N 3.32Å; F212-L215 HydrophobicContact CB-CD1 4.4Å; F212-L215 WeakPolarHBondContact O-CB 3.44Å; F212-L215 VanDerWaalsContact O-CD1 3.25Å; F212-L215 WeakPolarHBondContact O-CD1 3.39Å; F212-L215 PolarHBondContact O-N 3.43Å
213G76.2Confident81.2Confident36 Ų3665.2 Ų65.237%0.37139%0.389SS..G310 helixtrans-49.1-43.8176.100000114.4V209 L215 A216V209-G213 VanDerWaalsContact O-CA 3.29Å; V209-G213 WeakPolarHBondContact O-CA 3.18Å; V209-G213 PolarHBondContact O-N 3.41Å; G213-L215 PolarHBondContact O-N 3.23Å; G213-A216 WeakPolarHBondContact O-CB 3.27Å; G213-A216 PolarHBondContact O-N 3.13Å
214P72.2Confident81.3Confident39 Ų3968 Ų6825%0.25340%0.404SS..G310 helixtrans-57.1-19.7178.6-30.237.8000115.4N89 I210 F212 A216 D217N89-P214 PolarHBondContact ND2-O 2.92Å; N89-P214 WeakPolarHBondContact OD1-CB 3.35Å; I210-P214 WeakPolarHBondContact O-CD 3.33Å; F212-P214 VanDerWaalsContact C-CD 3.43Å; F212-P214 VanDerWaalsContact C-N 3.32Å; P214-A216 PolarHBondContact O-N 3.48Å; P214-D217 PolarHBondContact O-N 2.87Å; P214-D217 VanDerWaalsContact O-N 3.14Å
215L71.2Confident81.2Confident65 Ų6573.4 Ų73.434%0.3443%0.429SS..G310 helixtrans-63.2-24.4174.6-79.981.6000112.6F212 G213 D217 I218F212-L215 HydrophobicContact CB-CD1 4.4Å; F212-L215 WeakPolarHBondContact O-CB 3.44Å; F212-L215 VanDerWaalsContact O-CD1 3.25Å; F212-L215 WeakPolarHBondContact O-CD1 3.39Å; F212-L215 PolarHBondContact O-N 3.43Å; G213-L215 PolarHBondContact O-N 3.23Å; L215-D217 VanDerWaalsContact C-N 3.28Å; L215-D217 PolarHBondContact O-N 3.29Å; L215-I218 WeakPolarHBondContact O-CG1 3.2Å
216A79Confident81.2Confident92 Ų9268.6 Ų68.676%0.7640%0.404SS*.G310 helixtrans-73.5-18.8177.100000113.2G213 P214 I218G213-A216 WeakPolarHBondContact O-CB 3.27Å; G213-A216 PolarHBondContact O-N 3.13Å; P214-A216 PolarHBondContact O-N 3.48Å; A216-I218 PolarHBondContact O-N 3.45Å
217D73Confident81.2Confident107 Ų10770.6 Ų70.657%0.57241%0.409SS*.G310 helixtrans-82.70.2-178.8-59.6-35.9000112.8P214 L215 V219P214-D217 PolarHBondContact O-N 2.87Å; P214-D217 VanDerWaalsContact O-N 3.14Å; L215-D217 VanDerWaalsContact C-N 3.28Å; L215-D217 PolarHBondContact O-N 3.29Å; D217-V219 PolarHBondContact O-N 2.75Å
218I76.3Confident81.4Confident44 Ų4470.4 Ų70.423%0.22642%0.419CS..  trans-72.8110.4-179.6-60.4174.6000109.9L86 N89 L90 L215 A216 P220 L223L86-I218 HydrophobicContact CD2-CB 4.43Å; L86-I218 HydrophobicContact CD2-CG1 4.3Å; L86-I218 HydrophobicContact CD2-CG2 4.11Å; N89-I218 HydrophobicContact CB-CD1 3.99Å; N89-I218 HydrophobicContact CB-CG1 4.17Å; L90-I218 HydrophobicContact CD2-CD1 4.46Å; L215-I218 WeakPolarHBondContact O-CG1 3.2Å; A216-I218 PolarHBondContact O-N 3.45Å; I218-P220 WeakPolarHBondContact O-CD 3.46Å; I218-L223 HydrophobicContact CG2-CD2 4.49Å
219V82.9Confident81.8Confident65 Ų6567.8 Ų67.839%0.39441%0.408SS..  trans-83.1119.8172-1780000109.7D217 A221 D222 L223D217-V219 PolarHBondContact O-N 2.75Å; V219-A221 VanDerWaalsContact C-N 3.26Å; V219-A221 HydrophobicContact CG1-CB 4.27Å; V219-A221 PolarHBondContact O-N 3.5Å; V219-D222 HydrophobicContact CB-CB 4.21Å; V219-D222 PolarHBondContact O-N 3.46Å; V219-D222 VanDerWaalsContact O-N 3.15Å; V219-L223 PolarHBondContact O-N 2.93Å; V219-L223 VanDerWaalsContact O-N 3.13Å
220P85.1Confident82.1Confident98 Ų9863.2 Ų63.264%0.63638%0.38SS*.Hα-helixtrans-58.7-33.4-177.1-27.635.6000114.5I218 L223 L224I218-P220 WeakPolarHBondContact O-CD 3.46Å; P220-L223 PolarHBondContact O-N 3.18Å; P220-L224 WeakPolarHBondContact O-CG 3.32Å; P220-L224 PolarHBondContact O-N 3.45Å; P220-L224 VanDerWaalsContact O-N 3.14Å
221A86.3Confident82.7Confident53 Ų5359.6 Ų59.644%0.43837%0.37SS..Hα-helixtrans-66.7-42.5177.700000112.2V219 L223 L224 H225V219-A221 VanDerWaalsContact C-N 3.26Å; V219-A221 HydrophobicContact CG1-CB 4.27Å; V219-A221 PolarHBondContact O-N 3.5Å; A221-L223 VanDerWaalsContact C-N 3.3Å; A221-L223 PolarHBondContact O-N 2.81Å; A221-L224 PolarHBondContact O-N 3.42Å; A221-H225 PolarHBondContact O-N 3.35Å; A221-H225 PolarHBondContact O-ND1 3.42Å
222D84.2Confident83.8Confident18 Ų1860.3 Ų60.310%0.09637%0.367CS..Hα-helixtrans-66.3-37.8177.9-65.2-14.4000110.5Y78 L86 V219 L224 H225 L226Y78-D222 PolarHBondContact OH-OD2 3.49Å; L86-D222 HydrophobicContact CD1-CB 4.12Å; V219-D222 HydrophobicContact CB-CB 4.21Å; V219-D222 PolarHBondContact O-N 3.46Å; V219-D222 VanDerWaalsContact O-N 3.15Å; D222-L224 PolarHBondContact O-N 2.95Å; D222-H225 PolarHBondContact O-N 3.12Å; D222-L226 WeakPolarHBondContact O-CB 3.11Å; D222-L226 PolarHBondContact O-N 2.8Å; D222-L226 VanDerWaalsContact O-N 3.15Å
223L83.1Confident84.8Confident43 Ų4356.7 Ų56.723%0.22535%0.35CS..Hα-helixtrans-61-41.8175.3-17565.1000112.2L90 I218 V219 P220 A221 H225 L226 I227 I230L90-L223 HydrophobicContact CD1-CD1 3.7Å; I218-L223 HydrophobicContact CG2-CD2 4.49Å; V219-L223 PolarHBondContact O-N 2.93Å; V219-L223 VanDerWaalsContact O-N 3.13Å; P220-L223 PolarHBondContact O-N 3.18Å; A221-L223 VanDerWaalsContact C-N 3.3Å; A221-L223 PolarHBondContact O-N 2.81Å; L223-H225 VanDerWaalsContact C-N 3.35Å; L223-H225 PolarHBondContact O-N 3.43Å; L223-L226 CarbonylContact O-C 3.59Å; L223-L226 PolarHBondContact O-N 3.05Å; L223-I227 HydrophobicContact CD1-CD1 4.29Å; L223-I227 HydrophobicContact CG-CD1 4.29Å; L223-I227 WeakPolarHBondContact O-CA 3.24Å; L223-I227 WeakPolarHBondContact O-CB 3.17Å; L223-I227 PolarHBondContact O-N 2.64Å; L223-I230 HydrophobicContact CD1-CD1 3.84Å
224L87.9Confident85.7Confident131 Ų13156 Ų5669%0.68634%0.338SS*.Hα-helixtrans-63.4-38.3179.8-76.2168.7000112.8P220 A221 D222 L226 I227P220-L224 WeakPolarHBondContact O-CG 3.32Å; P220-L224 PolarHBondContact O-N 3.45Å; P220-L224 VanDerWaalsContact O-N 3.14Å; A221-L224 PolarHBondContact O-N 3.42Å; D222-L224 PolarHBondContact O-N 2.95Å; L224-L226 VanDerWaalsContact C-N 3.35Å; L224-I227 WeakPolarHBondContact O-CG2 3.41Å
225H85.7Confident86.8Confident138 Ų13857.1 Ų57.164%0.63935%0.351SS*.Hα-helixtrans-73-30.3178.1-68.286.3000112.4A221 D222 L223A221-H225 PolarHBondContact O-N 3.35Å; A221-H225 PolarHBondContact O-ND1 3.42Å; D222-H225 PolarHBondContact O-N 3.12Å; L223-H225 VanDerWaalsContact C-N 3.35Å; L223-H225 PolarHBondContact O-N 3.43Å
226L89.2Confident87.9Confident0 Ų055 Ų550%034%0.343CS..Hα-helixtrans-103.52.5-174.9-65.1171.2000113.5L75 L79 F83 L86 D222 L223 L224 G228 P229 I230L75-L226 HydrophobicContact CD1-CD2 3.8Å; L75-L226 HydrophobicContact CD2-CD2 3.83Å; L75-L226 HydrophobicContact CG-CD2 4.5Å; L79-L226 HydrophobicContact CD2-CD1 4.19Å; L79-L226 HydrophobicContact CD2-CG 4.44Å; F83-L226 HydrophobicContact CB-CD1 3.89Å; F83-L226 HydrophobicContact CB-CD2 4.33Å; F83-L226 HydrophobicContact CD2-CB 4.42Å; F83-L226 HydrophobicContact CD2-CD1 4.29Å; F83-L226 HydrophobicContact CD2-CD2 4.11Å; L86-L226 HydrophobicContact CD1-CD1 3.7Å; D222-L226 WeakPolarHBondContact O-CB 3.11Å; D222-L226 PolarHBondContact O-N 2.8Å; D222-L226 VanDerWaalsContact O-N 3.15Å; L223-L226 CarbonylContact O-C 3.59Å; L223-L226 PolarHBondContact O-N 3.05Å; L224-L226 VanDerWaalsContact C-N 3.35Å; L226-G228 VanDerWaalsContact C-N 3.27Å; L226-G228 PolarHBondContact O-N 3.3Å; L226-P229 WeakPolarHBondContact O-CD 3.5Å; L226-I230 HydrophobicContact CB-CD1 3.6Å; L226-I230 HydrophobicContact CB-CG1 4.09Å; L226-I230 VanDerWaalsContact O-CB 3.3Å; L226-I230 WeakPolarHBondContact O-CB 3.38Å; L226-I230 WeakPolarHBondContact O-CG1 3.4Å; L226-I230 PolarHBondContact O-N 3.48Å
227I90.2Very high88.7Confident92 Ų9250.7 Ų50.747%0.47231%0.307SS..Hα-helixtrans-57-39.9-173.6-165.569.6000112.2L223 L224 A231L223-I227 HydrophobicContact CD1-CD1 4.29Å; L223-I227 HydrophobicContact CG-CD1 4.29Å; L223-I227 WeakPolarHBondContact O-CA 3.24Å; L223-I227 WeakPolarHBondContact O-CB 3.17Å; L223-I227 PolarHBondContact O-N 2.64Å; L224-I227 WeakPolarHBondContact O-CG2 3.41Å; I227-A231 WeakPolarHBondContact O-CB 3.47Å; I227-A231 PolarHBondContact O-N 3.32Å
228G91.1Very high89.8Confident44 Ų4446.9 Ų46.945%0.45429%0.286SS..Hα-helixtrans-62.1-62.4178.500000112L226 I230 A231 F232L226-G228 VanDerWaalsContact C-N 3.27Å; L226-G228 PolarHBondContact O-N 3.3Å; G228-I230 VanDerWaalsContact C-N 3.34Å; G228-I230 PolarHBondContact O-N 2.91Å; G228-A231 PolarHBondContact O-N 2.77Å; G228-F232 WeakPolarHBondContact O-CB 3.31Å; G228-F232 PolarHBondContact O-N 2.73Å
229P92.1Very high90.7Very high21 Ų2146.3 Ų46.314%0.13629%0.292CS..Hα-helixtrans-53.9-45.6174.6-28.134.3000113.5F36 F83 L226 F232 Y233F36-P229 HydrophobicContact CE1-CB 4.21Å; F36-P229 HydrophobicContact CE1-CG 3.89Å; F36-P229 HydrophobicContact CZ-CB 4.32Å; F36-P229 HydrophobicContact CZ-CG 4.39Å; F83-P229 HydrophobicContact CE2-CB 3.61Å; F83-P229 HydrophobicContact CZ-CB 3.92Å; L226-P229 WeakPolarHBondContact O-CD 3.5Å; P229-F232 WeakPolarHBondContact O-CB 3.37Å; P229-F232 PolarHBondContact O-N 2.69Å; P229-Y233 VanDerWaalsContact O-CD2 3.23Å; P229-Y233 WeakPolarHBondContact O-CD2 3.35Å; P229-Y233 PolarHBondContact O-N 3.09Å
230I92.6Very high91.3Very high3 Ų344.2 Ų44.22%0.01528%0.278CS..Hα-helixtrans-60.9-50.3179.8-70.2170000110.9F83 L86 I87 L90 L223 L226 G228 F232 Y233 L234F83-I230 HydrophobicContact CD2-CG1 4.01Å; F83-I230 HydrophobicContact CE2-CG1 3.86Å; L86-I230 HydrophobicContact CB-CD1 3.74Å; L86-I230 HydrophobicContact CD1-CD1 4Å; I87-I230 HydrophobicContact CG1-CB 4.42Å; I87-I230 HydrophobicContact CG1-CG1 3.91Å; I87-I230 HydrophobicContact CG1-CG2 4.39Å; L90-I230 HydrophobicContact CD1-CG2 3.62Å; L223-I230 HydrophobicContact CD1-CD1 3.84Å; L226-I230 HydrophobicContact CB-CD1 3.6Å; L226-I230 HydrophobicContact CB-CG1 4.09Å; L226-I230 VanDerWaalsContact O-CB 3.3Å; L226-I230 WeakPolarHBondContact O-CB 3.38Å; L226-I230 WeakPolarHBondContact O-CG1 3.4Å; L226-I230 PolarHBondContact O-N 3.48Å; G228-I230 VanDerWaalsContact C-N 3.34Å; G228-I230 PolarHBondContact O-N 2.91Å; I230-F232 VanDerWaalsContact C-N 3.27Å; I230-F232 PolarHBondContact O-N 3.44Å; I230-Y233 PolarHBondContact O-N 3.22Å; I230-L234 HydrophobicContact CG2-CD1 3.73Å; I230-L234 HydrophobicContact CG2-CG 4.35Å; I230-L234 WeakPolarHBondContact O-CB 3.37Å; I230-L234 WeakPolarHBondContact O-CG 3.18Å; I230-L234 PolarHBondContact O-N 2.96Å
231A93.9Very high91.8Very high52 Ų5239.5 Ų39.543%0.4325%0.247SC..Hα-helixtrans-60.9-39.9179.500000111.4I227 G228 A235I227-A231 WeakPolarHBondContact O-CB 3.47Å; I227-A231 PolarHBondContact O-N 3.32Å; G228-A231 PolarHBondContact O-N 2.77Å; A231-A235 VanDerWaalsContact O-CB 3.23Å; A231-A235 WeakPolarHBondContact O-CB 3.41Å; A231-A235 PolarHBondContact O-N 3.13Å
232F95.4Very high92.3Very high49 Ų4942 Ų4222%0.21525%0.249CC..Hα-helixtrans-59-54.7174.8170.4-91.4000111.9I31 I35 F36 G228 P229 I230 L234 A235 A236I31-F232 HydrophobicContact CG2-CE2 4.25Å; I31-F232 HydrophobicContact CG2-CZ 3.68Å; I35-F232 HydrophobicContact CD1-CD2 4.22Å; I35-F232 HydrophobicContact CD1-CE2 3.36Å; I35-F232 HydrophobicContact CD1-CZ 3.63Å; F36-F232 HydrophobicContact CD2-CD1 4.31Å; F36-F232 HydrophobicContact CD2-CE1 4.37Å; F36-F232 HydrophobicContact CE2-CB 4.27Å; F36-F232 AromaticContact CE2-CD1 3.43Å; F36-F232 HydrophobicContact CE2-CD1 3.43Å; F36-F232 VanDerWaalsContact CE2-CD1 3.43Å; F36-F232 HydrophobicContact CE2-CD2 4.41Å; F36-F232 AromaticContact CE2-CE1 3.82Å; F36-F232 HydrophobicContact CE2-CE1 3.82Å; F36-F232 AromaticContact CE2-CG 3.76Å; F36-F232 HydrophobicContact CE2-CG 3.76Å; F36-F232 HydrophobicContact CE2-CZ 4.47Å; F36-F232 HydrophobicContact CZ-CB 4.25Å; F36-F232 HydrophobicContact CZ-CD1 4.23Å; F36-F232 HydrophobicContact CZ-CG 4.19Å; G228-F232 WeakPolarHBondContact O-CB 3.31Å; G228-F232 PolarHBondContact O-N 2.73Å; P229-F232 WeakPolarHBondContact O-CB 3.37Å; P229-F232 PolarHBondContact O-N 2.69Å; I230-F232 VanDerWaalsContact C-N 3.27Å; I230-F232 PolarHBondContact O-N 3.44Å; F232-L234 VanDerWaalsContact C-N 3.34Å; F232-L234 PolarHBondContact O-N 2.97Å; F232-A235 PolarHBondContact O-N 3.31Å; F232-A236 HydrophobicContact CE1-CB 4.42Å; F232-A236 HydrophobicContact CE2-CB 4.46Å; F232-A236 HydrophobicContact CZ-CB 4.23Å; F232-A236 WeakPolarHBondContact O-CB 3.49Å; F232-A236 PolarHBondContact O-N 3.44Å
233Y93.9Very high92.9Very high0 Ų046.3 Ų46.30%027%0.27CS..Hα-helixtrans-65.7-36.1-177-82.1-77.1000112.6L28 G32 F36 I40 A41 I48 F83 I87 P229 I230 G237L28-Y233 HydrophobicContact CD2-CD1 4.38Å; G32-Y233 VanDerWaalsContact CA-OH 3.28Å; G32-Y233 WeakPolarHBondContact CA-OH 3.42Å; F36-Y233 HydrophobicContact CD2-CE2 4.12Å; F36-Y233 HydrophobicContact CE2-CE2 4.18Å; I40-Y233 HydrophobicContact CG2-CE2 4.09Å; A41-Y233 VanDerWaalsContact CA-OH 3.26Å; A41-Y233 WeakPolarHBondContact CA-OH 3.32Å; I48-Y233 WeakPolarHBondContact CD1-O 3.29Å; F83-Y233 AromaticContact CZ-CD2 3.75Å; F83-Y233 HydrophobicContact CZ-CD2 3.75Å; F83-Y233 AromaticContact CZ-CE2 3.96Å; F83-Y233 HydrophobicContact CZ-CE2 3.96Å; I87-Y233 HydrophobicContact CD1-CD2 4.25Å; I87-Y233 HydrophobicContact CD1-CG 4.26Å; P229-Y233 VanDerWaalsContact O-CD2 3.23Å; P229-Y233 WeakPolarHBondContact O-CD2 3.35Å; P229-Y233 PolarHBondContact O-N 3.09Å; I230-Y233 PolarHBondContact O-N 3.22Å; Y233-G237 WeakPolarHBondContact O-CA 3.29Å; Y233-G237 PolarHBondContact O-N 2.84Å
234L94.3Very high93.5Very high23 Ų2344.4 Ų44.412%0.1226%0.261CS..Hα-helixtrans-65.7-47.5174.9-70.4174.4000111.6I48 L90 K91 V94 I230 F232 L238I48-L234 HydrophobicContact CD1-CD2 3.85Å; I48-L234 HydrophobicContact CD1-CG 4.49Å; L90-L234 HydrophobicContact CB-CD1 3.96Å; K91-L234 HydrophobicContact CB-CD2 3.52Å; V94-L234 HydrophobicContact CG2-CD1 4.49Å; I230-L234 HydrophobicContact CG2-CD1 3.73Å; I230-L234 HydrophobicContact CG2-CG 4.35Å; I230-L234 WeakPolarHBondContact O-CB 3.37Å; I230-L234 WeakPolarHBondContact O-CG 3.18Å; I230-L234 PolarHBondContact O-N 2.96Å; F232-L234 VanDerWaalsContact C-N 3.34Å; F232-L234 PolarHBondContact O-N 2.97Å; L234-L238 WeakPolarHBondContact O-CB 3.47Å; L234-L238 VanDerWaalsContact O-CG 3.29Å; L234-L238 WeakPolarHBondContact O-CG 3.47Å; L234-L238 PolarHBondContact O-N 2.74Å
235A95.5Very high93.9Very high62 Ų6238.2 Ų38.251%0.51223%0.228SC..Hα-helixtrans-67.9-46-179.600000112.1A231 F232 L238 G239A231-A235 VanDerWaalsContact O-CB 3.23Å; A231-A235 WeakPolarHBondContact O-CB 3.41Å; A231-A235 PolarHBondContact O-N 3.13Å; F232-A235 PolarHBondContact O-N 3.31Å; A235-L238 PolarHBondContact O-N 3.45Å; A235-G239 PolarHBondContact O-N 2.86Å
236A95.2Very high94.4Very high21 Ų2135.2 Ų35.217%0.17421%0.214CC..Hα-helixtrans-62.8-45.3176.600000111L28 F232 G239 I240L28-A236 HydrophobicContact CD2-CB 3.73Å; F232-A236 HydrophobicContact CE1-CB 4.42Å; F232-A236 HydrophobicContact CE2-CB 4.46Å; F232-A236 HydrophobicContact CZ-CB 4.23Å; F232-A236 WeakPolarHBondContact O-CB 3.49Å; F232-A236 PolarHBondContact O-N 3.44Å; A236-G239 PolarHBondContact O-N 3.37Å; A236-I240 WeakPolarHBondContact O-CB 3.47Å; A236-I240 WeakPolarHBondContact O-CD1 3.29Å; A236-I240 WeakPolarHBondContact O-CG1 3.34Å; A236-I240 PolarHBondContact O-N 3.33Å
237G94.9Very high94.8Very high0 Ų040 Ų400%024%0.239CC..Hα-helixtrans-58.3-50176.300000112.3Y233 G239 I240 I241Y233-G237 WeakPolarHBondContact O-CA 3.29Å; Y233-G237 PolarHBondContact O-N 2.84Å; G237-G239 PolarHBondContact O-N 2.77Å; G237-I240 PolarHBondContact O-N 3.09Å; G237-I241 WeakPolarHBondContact O-CB 3.45Å; G237-I241 WeakPolarHBondContact O-CG1 3.19Å; G237-I241 PolarHBondContact O-N 2.8Å
238L95.2Very high95.1Very high27 Ų2737 Ų3714%0.14122%0.224CC..Hα-helixtrans-58.4-47.1175.4-79173000112.6V94 F98 L234 A235 I241 F242 M264 L267V94-L238 HydrophobicContact CG1-CD1 3.47Å; V94-L238 VanDerWaalsContact CG1-CD1 3.47Å; V94-L238 HydrophobicContact CG1-CD2 4Å; V94-L238 HydrophobicContact CG1-CG 4.04Å; F98-L238 HydrophobicContact CD2-CD1 4.3Å; F98-L238 HydrophobicContact CD2-CD2 4.31Å; F98-L238 HydrophobicContact CE2-CD1 3.91Å; F98-L238 HydrophobicContact CG-CD2 4.49Å; F98-L238 HydrophobicContact CZ-CD1 4.29Å; L234-L238 WeakPolarHBondContact O-CB 3.47Å; L234-L238 VanDerWaalsContact O-CG 3.29Å; L234-L238 WeakPolarHBondContact O-CG 3.47Å; L234-L238 PolarHBondContact O-N 2.74Å; A235-L238 PolarHBondContact O-N 3.45Å; L238-I241 PolarHBondContact O-N 3.46Å; L238-F242 WeakPolarHBondContact O-CB 3.17Å; L238-F242 PolarHBondContact O-N 3.26Å; L238-M264 HydrophobicContact CD2-CE 3.65Å; L238-M264 HydrophobicContact CD2-SD 3.72Å; L238-L267 HydrophobicContact CD2-CD1 3.69Å
239G95.7Very high95.2Very high33 Ų3334.9 Ų34.934%0.3420%0.202SC..Hα-helixtrans-61.7-45.3-179.800000112.2A235 A236 G237 F242 I243A235-G239 PolarHBondContact O-N 2.86Å; A236-G239 PolarHBondContact O-N 3.37Å; G237-G239 PolarHBondContact O-N 2.77Å; G239-F242 PolarHBondContact O-N 2.81Å; G239-I243 WeakPolarHBondContact O-CG1 3.38Å; G239-I243 PolarHBondContact O-N 3.08Å; G239-I243 VanDerWaalsContact O-N 3.08Å
240I96Very high95.3Very high20 Ų2040.6 Ų40.610%0.10323%0.225CC..Hα-helixtrans-65.1-46.2177.5-64.2160.1000110.5M24 I27 L28 A236 G237 F242 I243 A244M24-I240 HydrophobicContact CB-CG2 3.96Å; M24-I240 HydrophobicContact CG-CB 4.36Å; M24-I240 HydrophobicContact CG-CG2 4.03Å; I27-I240 HydrophobicContact CB-CD1 4.04Å; I27-I240 HydrophobicContact CD1-CG2 4.17Å; I27-I240 HydrophobicContact CG2-CD1 3.5Å; I27-I240 VanDerWaalsContact CG2-CD1 3.5Å; I27-I240 HydrophobicContact CG2-CG1 4Å; L28-I240 HydrophobicContact CD2-CD1 3.53Å; L28-I240 HydrophobicContact CG-CD1 3.7Å; A236-I240 WeakPolarHBondContact O-CB 3.47Å; A236-I240 WeakPolarHBondContact O-CD1 3.29Å; A236-I240 WeakPolarHBondContact O-CG1 3.34Å; A236-I240 PolarHBondContact O-N 3.33Å; G237-I240 PolarHBondContact O-N 3.09Å; I240-F242 VanDerWaalsContact C-N 3.31Å; I240-F242 PolarHBondContact O-N 3.32Å; I240-I243 PolarHBondContact O-N 3.35Å; I240-A244 HydrophobicContact CG2-CB 4.49Å; I240-A244 WeakPolarHBondContact O-CB 3.45Å; I240-A244 PolarHBondContact O-N 3.42Å
241I95.6Very high95.4Very high0 Ų049.5 Ų49.50%026%0.263CS..Hα-helixtrans-55.2-50.1175.5-72.6167.4000109.7T20 M24 G237 L238 I243 S245 M264 L267T20-I241 HydrophobicContact CG2-CG1 4.34Å; M24-I241 HydrophobicContact SD-CD1 3.67Å; M24-I241 HydrophobicContact SD-CG1 3.45Å; M24-I241 WeakPolarHBondContact SD-CG1 3.37Å; G237-I241 WeakPolarHBondContact O-CB 3.45Å; G237-I241 WeakPolarHBondContact O-CG1 3.19Å; G237-I241 PolarHBondContact O-N 2.8Å; L238-I241 PolarHBondContact O-N 3.46Å; I241-I243 VanDerWaalsContact C-N 3.34Å; I241-I243 PolarHBondContact O-N 2.96Å; I241-S245 WeakPolarHBondContact O-CB 3.47Å; I241-S245 PolarHBondContact O-N 3.02Å; I241-S245 PolarHBondContact O-OG 3.28Å; I241-M264 HydrophobicContact CG2-CE 4.35Å; I241-M264 HydrophobicContact CG2-CG 4.26Å; I241-M264 HydrophobicContact CG2-SD 3.99Å; I241-L267 HydrophobicContact CD1-CD1 4.23Å; I241-L267 HydrophobicContact CD1-CD2 3.75Å; I241-L267 HydrophobicContact CD1-CG 3.81Å
242F95.8Very high95.2Very high106 Ų10648 Ų4847%0.46525%0.249SC..Hα-helixtrans-57.7-46.8-176.9-163.8-82000111.7L238 G239 I240 F246 I260L238-F242 WeakPolarHBondContact O-CB 3.17Å; L238-F242 PolarHBondContact O-N 3.26Å; G239-F242 PolarHBondContact O-N 2.81Å; I240-F242 VanDerWaalsContact C-N 3.31Å; I240-F242 PolarHBondContact O-N 3.32Å; F242-F246 WeakPolarHBondContact O-CB 2.95Å; F242-F246 PolarHBondContact O-N 3.29Å; F242-I260 HydrophobicContact CD1-CD1 4.39Å; F242-I260 HydrophobicContact CD2-CD1 4.07Å; F242-I260 HydrophobicContact CD2-CG1 4.44Å; F242-I260 HydrophobicContact CD2-CG2 3.79Å; F242-I260 HydrophobicContact CE1-CD1 3.99Å; F242-I260 HydrophobicContact CE2-CD1 3.65Å; F242-I260 HydrophobicContact CE2-CG1 4.48Å; F242-I260 HydrophobicContact CE2-CG2 4.17Å; F242-I260 HydrophobicContact CG-CD1 4.43Å; F242-I260 HydrophobicContact CG-CG2 4.46Å; F242-I260 HydrophobicContact CZ-CD1 3.6Å
243I97Very high94.9Very high107 Ų10748.5 Ų48.555%0.54927%0.267SS..Hα-helixtrans-73-52.5-178.7-63.2167.2000111G239 I240 I241 F246 L247G239-I243 WeakPolarHBondContact O-CG1 3.38Å; G239-I243 PolarHBondContact O-N 3.08Å; G239-I243 VanDerWaalsContact O-N 3.08Å; I240-I243 PolarHBondContact O-N 3.35Å; I241-I243 VanDerWaalsContact C-N 3.34Å; I241-I243 PolarHBondContact O-N 2.96Å; I243-F246 PolarHBondContact O-N 3.35Å; I243-L247 HydrophobicContact CG2-CD1 3.91Å; I243-L247 WeakPolarHBondContact O-CB 3.36Å; I243-L247 VanDerWaalsContact O-CG 3.28Å; I243-L247 WeakPolarHBondContact O-CG 3.27Å; I243-L247 PolarHBondContact O-N 2.8Å
244A96.1Very high94.9Very high4 Ų449.9 Ų49.93%0.03327%0.273CS..Hα-helixtrans-60.6-53.6-175.200000111.3T20 L23 I240 F246 L247 I248T20-A244 HydrophobicContact CG2-CB 4.35Å; L23-A244 HydrophobicContact CD2-CB 3.74Å; I240-A244 HydrophobicContact CG2-CB 4.49Å; I240-A244 WeakPolarHBondContact O-CB 3.45Å; I240-A244 PolarHBondContact O-N 3.42Å; A244-F246 PolarHBondContact O-N 3.3Å; A244-L247 PolarHBondContact O-N 3.28Å; A244-I248 HydrophobicContact CB-CD1 4.41Å; A244-I248 WeakPolarHBondContact O-CB 2.92Å; A244-I248 VanDerWaalsContact O-CD1 3.31Å; A244-I248 WeakPolarHBondContact O-CD1 3.36Å; A244-I248 WeakPolarHBondContact O-CG1 3.39Å; A244-I248 PolarHBondContact O-N 3.31Å
245S96.3Very high94.9Very high0 Ų049.7 Ų49.70%027%0.273CS..Hα-helixtrans-67-37.3-176.367.40000111.9I241 G249 S259 I260I241-S245 WeakPolarHBondContact O-CB 3.47Å; I241-S245 PolarHBondContact O-N 3.02Å; I241-S245 PolarHBondContact O-OG 3.28Å; S245-G249 WeakPolarHBondContact O-CA 3.43Å; S245-G249 PolarHBondContact O-N 3.35Å; S245-S259 WeakPolarHBondContact CB-O 3.26Å; S245-S259 WeakPolarHBondContact O-CB 3.49Å; S245-S259 PolarHBondContact OG-O 2.86Å; S245-I260 WeakPolarHBondContact OG-CA 3.39Å
246F97Very high94.8Very high75 Ų7548 Ų4833%0.32926%0.262SS..Hα-helixtrans-60.7-47173.8179.2-97.1000112F242 I243 A244 K250 I260F242-F246 WeakPolarHBondContact O-CB 2.95Å; F242-F246 PolarHBondContact O-N 3.29Å; I243-F246 PolarHBondContact O-N 3.35Å; A244-F246 PolarHBondContact O-N 3.3Å; F246-K250 HydrophobicContact CE1-CD 4.5Å; F246-K250 HydrophobicContact CZ-CD 4.47Å; F246-K250 VanDerWaalsContact O-CB 3.23Å; F246-K250 WeakPolarHBondContact O-CB 3.28Å; F246-K250 PolarHBondContact O-N 2.87Å; F246-I260 HydrophobicContact CB-CD1 4.48Å; F246-I260 HydrophobicContact CB-CG1 4.06Å; F246-I260 HydrophobicContact CD2-CD1 4.12Å; F246-I260 HydrophobicContact CD2-CG1 4.38Å
247L96.9Very high94.8Very high101 Ų10148.2 Ų48.253%0.52926%0.262SS..Hα-helixtrans-66.5-44.2-180-69.8176.6000112.3I243 A244 K251I243-L247 HydrophobicContact CG2-CD1 3.91Å; I243-L247 WeakPolarHBondContact O-CB 3.36Å; I243-L247 VanDerWaalsContact O-CG 3.28Å; I243-L247 WeakPolarHBondContact O-CG 3.27Å; I243-L247 PolarHBondContact O-N 2.8Å; A244-L247 PolarHBondContact O-N 3.28Å; L247-K251 WeakPolarHBondContact O-CG 3.45Å; L247-K251 PolarHBondContact O-N 3.38Å
248I96Very high94.8Very high29 Ų2948.6 Ų48.615%0.14926%0.264CS..Hα-helixtrans-70.2-45.2-179.5-60.8159.1000110.1V15 V16 L19 A244 K251 V252V15-I248 HydrophobicContact CG1-CG2 4.49Å; V16-I248 HydrophobicContact CB-CG2 4.41Å; V16-I248 HydrophobicContact CG2-CG2 4.05Å; L19-I248 HydrophobicContact CB-CD1 3.75Å; L19-I248 HydrophobicContact CB-CG2 4.42Å; L19-I248 HydrophobicContact CD1-CG2 4.07Å; A244-I248 HydrophobicContact CB-CD1 4.41Å; A244-I248 WeakPolarHBondContact O-CB 2.92Å; A244-I248 VanDerWaalsContact O-CD1 3.31Å; A244-I248 WeakPolarHBondContact O-CD1 3.36Å; A244-I248 WeakPolarHBondContact O-CG1 3.39Å; A244-I248 PolarHBondContact O-N 3.31Å; I248-K251 WeakPolarHBondContact O-CB 3.3Å; I248-K251 PolarHBondContact O-N 2.88Å; I248-V252 PolarHBondContact O-N 3.21Å
249G94.3Very high94.9Very high0 Ų047.3 Ų47.30%026%0.257CS..Hα-helixtrans-64-42.1-179.100000113.3S245 K251 V252 G253 Y254 S259S245-G249 WeakPolarHBondContact O-CA 3.43Å; S245-G249 PolarHBondContact O-N 3.35Å; G249-K251 VanDerWaalsContact C-N 3.26Å; G249-K251 PolarHBondContact O-N 3.39Å; G249-V252 WeakPolarHBondContact O-CG2 3.44Å; G249-V252 PolarHBondContact O-N 3.44Å; G249-G253 PolarHBondContact O-N 2.84Å; G249-G253 VanDerWaalsContact O-N 3.14Å; G249-Y254 PolarHBondContact O-N 3.48Å; G249-S259 VanDerWaalsContact C-OG 3.28Å; G249-S259 WeakPolarHBondContact CA-OG 3.47Å
250K93.4Very high94.9Very high141 Ų14146.3 Ų46.361%0.61324%0.244SC*.Hα-helixtrans-61.6-34.8174.4-169.7174.8-177.7176.50112.2F246 G253F246-K250 HydrophobicContact CE1-CD 4.5Å; F246-K250 HydrophobicContact CZ-CD 4.47Å; F246-K250 VanDerWaalsContact O-CB 3.23Å; F246-K250 WeakPolarHBondContact O-CB 3.28Å; F246-K250 PolarHBondContact O-N 2.87Å; K250-G253 PolarHBondContact O-N 2.71Å
251K94.2Very high94.9Very high189 Ų18945.3 Ų45.382%0.82224%0.239SC*.Hα-helixtrans-69.1-34.3176.8-77.2-175.5177.8-174.70113.4L247 I248 G249 G253L247-K251 WeakPolarHBondContact O-CG 3.45Å; L247-K251 PolarHBondContact O-N 3.38Å; I248-K251 WeakPolarHBondContact O-CB 3.3Å; I248-K251 PolarHBondContact O-N 2.88Å; G249-K251 VanDerWaalsContact C-N 3.26Å; G249-K251 PolarHBondContact O-N 3.39Å; K251-G253 VanDerWaalsContact C-N 3.27Å
252V91.2Very high94.9Very high22 Ų2245.3 Ų45.313%0.13324%0.239CC..Hα-helixtrans-83.6-5.2176.2-58.70000113.1K12 V15 V16 I248 G249 Y254K12-V252 HydrophobicContact CB-CB 4.13Å; K12-V252 HydrophobicContact CB-CG2 4.07Å; K12-V252 HydrophobicContact CD-CB 4.32Å; K12-V252 VanDerWaalsContact CD-O 3.28Å; K12-V252 WeakPolarHBondContact CD-O 3.36Å; K12-V252 WeakPolarHBondContact CE-O 3.38Å; K12-V252 HydrophobicContact CG-CB 4.11Å; K12-V252 PolarHBondContact NZ-O 2.97Å; V15-V252 HydrophobicContact CG1-CG1 4.33Å; V16-V252 HydrophobicContact CG2-CG2 3.49Å; V16-V252 VanDerWaalsContact CG2-CG2 3.49Å; I248-V252 PolarHBondContact O-N 3.21Å; G249-V252 WeakPolarHBondContact O-CG2 3.44Å; G249-V252 PolarHBondContact O-N 3.44Å; V252-Y254 HydrophobicContact CG2-CD2 4.26Å; V252-Y254 HydrophobicContact CG2-CG 4.22Å
253G89.1Confident94.8Very high58 Ų5840.3 Ų40.360%0.59822%0.217SC*.THydrogen-bonded Turntrans92.719.6177.200000114.7G249 K250 K251G249-G253 PolarHBondContact O-N 2.84Å; G249-G253 VanDerWaalsContact O-N 3.14Å; K250-G253 PolarHBondContact O-N 2.71Å; K251-G253 VanDerWaalsContact C-N 3.27Å
254Y92.6Very high94.7Very high30 Ų3035.3 Ų35.312%0.11819%0.191CC..  trans-81.4151.3168.9-72.6-8.9000111.3K12 T13 V16 G249 V252 L258 S259 V262 I301K12-Y254 HydrophobicContact CB-CE1 3.98Å; K12-Y254 HydrophobicContact CB-CE2 4.18Å; K12-Y254 WeakPolarHBondContact CB-OH 3.38Å; K12-Y254 HydrophobicContact CD-CE1 3.92Å; T13-Y254 PolarHBondContact N-OH 3.25Å; T13-Y254 PolarHBondContact OG1-OH 2.78Å; V16-Y254 HydrophobicContact CG2-CD2 4.3Å; G249-Y254 PolarHBondContact O-N 3.48Å; V252-Y254 HydrophobicContact CG2-CD2 4.26Å; V252-Y254 HydrophobicContact CG2-CG 4.22Å; Y254-L258 HydrophobicContact CD1-CD2 4.14Å; Y254-L258 HydrophobicContact CD2-CD2 4.28Å; Y254-L258 HydrophobicContact CD2-CG 4.4Å; Y254-L258 HydrophobicContact CG-CD2 4.01Å; Y254-L258 HydrophobicContact CG-CG 4.47Å; Y254-S259 WeakPolarHBondContact CB-OG 3.25Å; Y254-V262 HydrophobicContact CE2-CG2 4.47Å; Y254-I301 HydrophobicContact CE2-CG2 4.28Å
255S93.9Very high94.5Very high19 Ų1935.1 Ų35.113%0.13319%0.19CC..  trans-62.5157.1171.371.30000110.1E106 R109 S257 L258 S259E106-S255 PolarHBondContact OE1-OG 3.44Å; E106-S255 WeakPolarHBondContact OE2-CB 3.43Å; E106-S255 PolarHBondContact OE2-OG 2.84Å; R109-S255 VanDerWaalsContact NE-CB 3.29Å; S255-S257 VanDerWaalsContact C-N 3.3Å; S255-S257 PolarHBondContact O-N 3.26Å; S255-S257 PolarHBondContact OG-OG 2.65Å; S255-L258 PolarHBondContact O-N 3.39Å; S255-L258 WeakPolarHBondContact OG-CB 3.28Å; S255-L258 PolarHBondContact OG-N 3.48Å; S255-S259 WeakPolarHBondContact O-CB 3.28Å; S255-S259 PolarHBondContact O-N 3.24Å; S255-S259 PolarHBondContact O-OG 2.85Å
256G93.5Very high94.3Very high26 Ų2635.5 Ų35.527%0.26819%0.192SC..Hα-helixtrans-56.9-44.3177.500000112.6I260G256-I260 WeakPolarHBondContact O-CD1 3.23Å; G256-I260 VanDerWaalsContact O-CG1 3.22Å; G256-I260 WeakPolarHBondContact O-CG1 3.44Å; G256-I260 PolarHBondContact O-N 3.41Å; G256-I260 VanDerWaalsContact O-N 3.11Å
257S95.7Very high94Very high25 Ų2532.2 Ų32.218%0.17518%0.178CC..Hα-helixtrans-63.1-50177.729.20000112.5I102 E106 S255 S259 I260 A261I102-S257 WeakPolarHBondContact CG2-O 3.32Å; E106-S257 PolarHBondContact OE2-OG 3.22Å; S255-S257 VanDerWaalsContact C-N 3.3Å; S255-S257 PolarHBondContact O-N 3.26Å; S255-S257 PolarHBondContact OG-OG 2.65Å; S257-S259 VanDerWaalsContact C-N 3.31Å; S257-S259 PolarHBondContact O-N 3.45Å; S257-I260 PolarHBondContact O-N 3.22Å; S257-A261 WeakPolarHBondContact O-CB 3.43Å; S257-A261 PolarHBondContact O-N 3.34Å
258L95.5Very high93.6Very high9 Ų927.9 Ų27.95%0.04716%0.155CC..Hα-helixtrans-63.6-40.4179.2-175.862000111.5E106 Y254 S255 I260 A261 V262 I301E106-L258 HydrophobicContact CG-CB 4.06Å; E106-L258 HydrophobicContact CG-CD1 4.32Å; Y254-L258 HydrophobicContact CD1-CD2 4.14Å; Y254-L258 HydrophobicContact CD2-CD2 4.28Å; Y254-L258 HydrophobicContact CD2-CG 4.4Å; Y254-L258 HydrophobicContact CG-CD2 4.01Å; Y254-L258 HydrophobicContact CG-CG 4.47Å; S255-L258 PolarHBondContact O-N 3.39Å; S255-L258 WeakPolarHBondContact OG-CB 3.28Å; S255-L258 PolarHBondContact OG-N 3.48Å; L258-I260 VanDerWaalsContact C-N 3.33Å; L258-I260 PolarHBondContact O-N 2.98Å; L258-A261 PolarHBondContact O-N 3.28Å; L258-V262 HydrophobicContact CD1-CG2 4.45Å; L258-V262 HydrophobicContact CG-CG2 4.48Å; L258-V262 WeakPolarHBondContact O-CB 3.49Å; L258-V262 VanDerWaalsContact O-CG2 3.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 2.91Å; L258-I301 HydrophobicContact CD1-CD1 4.47Å; L258-I301 HydrophobicContact CD1-CG2 3.97Å; L258-I301 HydrophobicContact CD2-CD1 3.77Å; L258-I301 HydrophobicContact CD2-CG2 4.46Å; L258-I301 HydrophobicContact CG-CG2 4.39Å
259S96.3Very high93.1Very high0 Ų027.3 Ų27.30%016%0.156CC..Hα-helixtrans-56.8-48.2176.8-59.20000111.5S245 G249 Y254 S255 S257 V262 G263S245-S259 WeakPolarHBondContact CB-O 3.26Å; S245-S259 WeakPolarHBondContact O-CB 3.49Å; S245-S259 PolarHBondContact OG-O 2.86Å; G249-S259 VanDerWaalsContact C-OG 3.28Å; G249-S259 WeakPolarHBondContact CA-OG 3.47Å; Y254-S259 WeakPolarHBondContact CB-OG 3.25Å; S255-S259 WeakPolarHBondContact O-CB 3.28Å; S255-S259 PolarHBondContact O-N 3.24Å; S255-S259 PolarHBondContact O-OG 2.85Å; S257-S259 VanDerWaalsContact C-N 3.31Å; S257-S259 PolarHBondContact O-N 3.45Å; S259-V262 PolarHBondContact O-N 2.88Å; S259-G263 PolarHBondContact O-N 3.21Å
260I96.5Very high92.7Very high11 Ų1131.2 Ų31.26%0.05617%0.173CC..Hα-helixtrans-67.3-42.3178.5-60.1159.6000110.8I102 F242 S245 F246 G256 S257 L258 V262 G263 M264I102-I260 HydrophobicContact CD1-CB 4.46Å; I102-I260 HydrophobicContact CD1-CG2 3.64Å; I102-I260 HydrophobicContact CG2-CB 4.48Å; F242-I260 HydrophobicContact CD1-CD1 4.39Å; F242-I260 HydrophobicContact CD2-CD1 4.07Å; F242-I260 HydrophobicContact CD2-CG1 4.44Å; F242-I260 HydrophobicContact CD2-CG2 3.79Å; F242-I260 HydrophobicContact CE1-CD1 3.99Å; F242-I260 HydrophobicContact CE2-CD1 3.65Å; F242-I260 HydrophobicContact CE2-CG1 4.48Å; F242-I260 HydrophobicContact CE2-CG2 4.17Å; F242-I260 HydrophobicContact CG-CD1 4.43Å; F242-I260 HydrophobicContact CG-CG2 4.46Å; F242-I260 HydrophobicContact CZ-CD1 3.6Å; S245-I260 WeakPolarHBondContact OG-CA 3.39Å; F246-I260 HydrophobicContact CB-CD1 4.48Å; F246-I260 HydrophobicContact CB-CG1 4.06Å; F246-I260 HydrophobicContact CD2-CD1 4.12Å; F246-I260 HydrophobicContact CD2-CG1 4.38Å; G256-I260 WeakPolarHBondContact O-CD1 3.23Å; G256-I260 VanDerWaalsContact O-CG1 3.22Å; G256-I260 WeakPolarHBondContact O-CG1 3.44Å; G256-I260 PolarHBondContact O-N 3.41Å; G256-I260 VanDerWaalsContact O-N 3.11Å; S257-I260 PolarHBondContact O-N 3.22Å; L258-I260 VanDerWaalsContact C-N 3.33Å; L258-I260 PolarHBondContact O-N 2.98Å; I260-V262 VanDerWaalsContact C-N 3.33Å; I260-V262 PolarHBondContact O-N 3.37Å; I260-G263 PolarHBondContact O-N 3.28Å; I260-G263 VanDerWaalsContact O-N 3.13Å; I260-M264 HydrophobicContact CG2-CE 4.13Å; I260-M264 HydrophobicContact CG2-CG 4.3Å; I260-M264 VanDerWaalsContact O-CG 3.32Å; I260-M264 WeakPolarHBondContact O-CG 3.35Å; I260-M264 PolarHBondContact O-N 3.49Å
261A96.6Very high92.4Very high0 Ų024.8 Ų24.80%015%0.146CC..Hα-helixtrans-59.2-43.517700000111.9T99 I102 L103 S257 L258 G263 M264 T265 M302T99-A261 HydrophobicContact CG2-CB 4.32Å; I102-A261 HydrophobicContact CG2-CB 4Å; L103-A261 HydrophobicContact CD2-CB 3.75Å; L103-A261 HydrophobicContact CG-CB 4.32Å; S257-A261 WeakPolarHBondContact O-CB 3.43Å; S257-A261 PolarHBondContact O-N 3.34Å; L258-A261 PolarHBondContact O-N 3.28Å; A261-G263 VanDerWaalsContact C-N 3.35Å; A261-G263 PolarHBondContact O-N 2.87Å; A261-M264 PolarHBondContact O-N 3.34Å; A261-T265 WeakPolarHBondContact O-CG2 3.48Å; A261-T265 PolarHBondContact O-N 2.86Å; A261-M302 HydrophobicContact CB-CE 4.05Å; A261-M302 HydrophobicContact CB-SD 3.76Å; A261-M302 WeakPolarHBondContact O-CE 3.3Å
262V95Very high92.2Very high0 Ų016 Ų160%011%0.109CC..Hα-helixtrans-59.3-45.6173.8169.10000110.7T13 V16 Y254 L258 S259 I260 M264 T265 I301 M302 A305T13-V262 HydrophobicContact CG2-CG1 4.26Å; T13-V262 HydrophobicContact CG2-CG2 4.39Å; V16-V262 HydrophobicContact CB-CG1 3.87Å; V16-V262 HydrophobicContact CG1-CB 4.17Å; V16-V262 HydrophobicContact CG1-CG1 3.6Å; Y254-V262 HydrophobicContact CE2-CG2 4.47Å; L258-V262 HydrophobicContact CD1-CG2 4.45Å; L258-V262 HydrophobicContact CG-CG2 4.48Å; L258-V262 WeakPolarHBondContact O-CB 3.49Å; L258-V262 VanDerWaalsContact O-CG2 3.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 2.91Å; S259-V262 PolarHBondContact O-N 2.88Å; I260-V262 VanDerWaalsContact C-N 3.33Å; I260-V262 PolarHBondContact O-N 3.37Å; V262-M264 VanDerWaalsContact C-N 3.35Å; V262-M264 PolarHBondContact O-N 2.75Å; V262-T265 WeakPolarHBondContact O-CB 3.37Å; V262-T265 PolarHBondContact O-N 3.32Å; V262-T265 PolarHBondContact O-OG1 3.2Å; V262-I301 HydrophobicContact CG2-CG2 3.71Å; V262-M302 HydrophobicContact CG2-SD 4.43Å; V262-A305 HydrophobicContact CB-CB 4.2Å; V262-A305 HydrophobicContact CG1-CB 3.77Å; V262-A305 HydrophobicContact CG2-CB 4.14Å
263G94.4Very high92.2Very high0 Ų015 Ų150%010%0.103CC..Hα-helixtrans-60.8-40.4175.800000113.7S259 I260 A261 T265 T266S259-G263 PolarHBondContact O-N 3.21Å; I260-G263 PolarHBondContact O-N 3.28Å; I260-G263 VanDerWaalsContact O-N 3.13Å; A261-G263 VanDerWaalsContact C-N 3.35Å; A261-G263 PolarHBondContact O-N 2.87Å; G263-T265 PolarHBondContact O-N 2.93Å; G263-T266 WeakPolarHBondContact O-CB 3.36Å; G263-T266 PolarHBondContact O-N 3.43Å; G263-T266 VanDerWaalsContact O-N 3.08Å; G263-T266 PolarHBondContact O-OG1 3.4Å
264M94.3Very high92.3Very high2 Ų213.7 Ų13.71%0.018%0.082CC..Hα-helixtrans-63.9-19.8179.5-71.6-67.1-179.800113.5F98 T99 I102 L238 I241 I260 A261 V262 T266 L267 F268F98-M264 HydrophobicContact CB-CE 4.21Å; T99-M264 WeakPolarHBondContact OG1-CB 3.34Å; I102-M264 HydrophobicContact CD1-CE 4.38Å; I102-M264 HydrophobicContact CD1-CG 4.45Å; L238-M264 HydrophobicContact CD2-CE 3.65Å; L238-M264 HydrophobicContact CD2-SD 3.72Å; I241-M264 HydrophobicContact CG2-CE 4.35Å; I241-M264 HydrophobicContact CG2-CG 4.26Å; I241-M264 HydrophobicContact CG2-SD 3.99Å; I260-M264 HydrophobicContact CG2-CE 4.13Å; I260-M264 HydrophobicContact CG2-CG 4.3Å; I260-M264 VanDerWaalsContact O-CG 3.32Å; I260-M264 WeakPolarHBondContact O-CG 3.35Å; I260-M264 PolarHBondContact O-N 3.49Å; A261-M264 PolarHBondContact O-N 3.34Å; V262-M264 VanDerWaalsContact C-N 3.35Å; V262-M264 PolarHBondContact O-N 2.75Å; M264-T266 PolarHBondContact O-N 2.91Å; M264-L267 WeakPolarHBondContact O-CB 3.41Å; M264-L267 PolarHBondContact O-N 2.91Å; M264-L267 HydrophobicContact SD-CD1 3.93Å; M264-F268 HydrophobicContact CB-CE1 4.47Å
265T92.5Very high92.3Very high1 Ų114.5 Ų14.51%0.0069%0.09CC..THydrogen-bonded Turntrans-65.3-2.7172.271.20000113.8A261 V262 G263 L267 F268 T273 M302 A305 G306 T309A261-T265 WeakPolarHBondContact O-CG2 3.48Å; A261-T265 PolarHBondContact O-N 2.86Å; V262-T265 WeakPolarHBondContact O-CB 3.37Å; V262-T265 PolarHBondContact O-N 3.32Å; V262-T265 PolarHBondContact O-OG1 3.2Å; G263-T265 PolarHBondContact O-N 2.93Å; T265-L267 VanDerWaalsContact C-N 3.29Å; T265-F268 CarbonylContact C-O 3.58Å; T265-F268 WeakPolarHBondContact CA-O 3.36Å; T265-T273 HydrophobicContact CG2-CG2 3.77Å; T265-M302 HydrophobicContact CG2-CE 3.47Å; T265-M302 VanDerWaalsContact CG2-CE 3.47Å; T265-M302 HydrophobicContact CG2-SD 4.44Å; T265-A305 HydrophobicContact CG2-CB 3.74Å; T265-A305 VanDerWaalsContact OG1-C 3.26Å; T265-A305 WeakPolarHBondContact OG1-CB 3.11Å; T265-A305 PolarHBondContact OG1-O 3.47Å; T265-G306 PolarHBondContact OG1-N 3.46Å; T265-T309 PolarHBondContact O-OG1 2.82Å; T265-T309 VanDerWaalsContact OG1-CG2 3.32Å; T265-T309 WeakPolarHBondContact OG1-CG2 3.19Å
266T91.3Very high92.4Very high8 Ų814.3 Ų14.35%0.0499%0.087CC..THydrogen-bonded Turntrans-71.4-28166-48.20000112.1V21 M24 G263 M264V21-T266 HydrophobicContact CG2-CG2 3.75Å; M24-T266 HydrophobicContact CE-CG2 3.37Å; G263-T266 WeakPolarHBondContact O-CB 3.36Å; G263-T266 PolarHBondContact O-N 3.43Å; G263-T266 VanDerWaalsContact O-N 3.08Å; G263-T266 PolarHBondContact O-OG1 3.4Å; M264-T266 PolarHBondContact O-N 2.91Å
267L91.2Very high92.4Very high5 Ų513.1 Ų13.13%0.0268%0.075CC..THydrogen-bonded Turntrans-83.1-28.5-179.3-57.2-177000112.2I48 K91 N92 L238 I241 M264 T265I48-L267 HydrophobicContact CG2-CD2 4.07Å; K91-L267 HydrophobicContact CB-CD2 4.31Å; K91-L267 HydrophobicContact CD-CD2 4.31Å; K91-L267 WeakPolarHBondContact CE-O 3.36Å; N92-L267 PolarHBondContact OD1-O 3.02Å; L238-L267 HydrophobicContact CD2-CD1 3.69Å; I241-L267 HydrophobicContact CD1-CD1 4.23Å; I241-L267 HydrophobicContact CD1-CD2 3.75Å; I241-L267 HydrophobicContact CD1-CG 3.81Å; M264-L267 WeakPolarHBondContact O-CB 3.41Å; M264-L267 PolarHBondContact O-N 2.91Å; M264-L267 HydrophobicContact SD-CD1 3.93Å; T265-L267 VanDerWaalsContact C-N 3.29Å
268F88.3Confident92.4Very high10 Ų1015.8 Ų15.84%0.0448%0.083CC..  trans-153.2152.2179.163.7-87.2000111.4G95 F96 T99 M264 T265 T273 L276G95-F268 VanDerWaalsContact C-CE1 3.42Å; G95-F268 WeakPolarHBondContact O-CE1 3.33Å; F96-F268 HydrophobicContact CD1-CB 4.2Å; F96-F268 AromaticContact CD1-CD1 3.83Å; F96-F268 HydrophobicContact CD1-CD1 3.83Å; F96-F268 AromaticContact CD1-CD2 3.77Å; F96-F268 HydrophobicContact CD1-CD2 3.77Å; F96-F268 HydrophobicContact CD1-CE1 4.13Å; F96-F268 HydrophobicContact CD1-CE2 4.04Å; F96-F268 AromaticContact CD1-CG 3.64Å; F96-F268 HydrophobicContact CD1-CG 3.64Å; F96-F268 HydrophobicContact CD1-CZ 4.21Å; F96-F268 HydrophobicContact CE1-CB 3.44Å; F96-F268 VanDerWaalsContact CE1-CB 3.44Å; F96-F268 AromaticContact CE1-CD1 3.94Å; F96-F268 HydrophobicContact CE1-CD1 3.94Å; F96-F268 AromaticContact CE1-CD2 3.37Å; F96-F268 HydrophobicContact CE1-CD2 3.37Å; F96-F268 HydrophobicContact CE1-CE2 4.06Å; F96-F268 AromaticContact CE1-CG 3.28Å; F96-F268 HydrophobicContact CE1-CG 3.28Å; F96-F268 HydrophobicContact CZ-CB 3.9Å; F96-F268 HydrophobicContact CZ-CG 4.22Å; T99-F268 HydrophobicContact CG2-CE1 4.41Å; T99-F268 HydrophobicContact CG2-CZ 3.76Å; T99-F268 VanDerWaalsContact OG1-CE1 3.27Å; T99-F268 WeakPolarHBondContact OG1-CE1 3.5Å; T99-F268 WeakPolarHBondContact OG1-CZ 3.39Å; M264-F268 HydrophobicContact CB-CE1 4.47Å; T265-F268 CarbonylContact C-O 3.58Å; T265-F268 WeakPolarHBondContact CA-O 3.36Å; F268-T273 HydrophobicContact CD2-CG2 4.16Å; F268-T273 HydrophobicContact CE2-CG2 3.9Å; F268-L276 HydrophobicContact CE2-CD1 3.89Å; F268-L276 HydrophobicContact CZ-CD1 3.72Å
269G86.4Confident92.4Very high17 Ų1720.6 Ų20.618%0.17511%0.105CC..  trans-111.1-153.917900000114.1G272 T273G269-G272 WeakPolarHBondContact O-CA 3.14Å; G269-G272 PolarHBondContact O-N 3.19Å; G269-T273 PolarHBondContact O-N 3Å; G269-T273 VanDerWaalsContact O-N 3.16Å
270F85.3Confident92.4Very high82 Ų8220.8 Ų20.836%0.3611%0.107SC..THydrogen-bonded Turntrans-64.5137.2167.1-177.9-89.6000110.1M204 I207 M274M204-F270 HydrophobicContact CE-CZ 4.17Å; M204-F270 HydrophobicContact SD-CE1 4.27Å; M204-F270 HydrophobicContact SD-CZ 3.75Å; I207-F270 HydrophobicContact CD1-CE1 4.33Å; F270-M274 HydrophobicContact CD2-CB 4.38Å; F270-M274 HydrophobicContact CE2-CB 4.18Å; F270-M274 HydrophobicContact CE2-CE 3.65Å; F270-M274 HydrophobicContact CE2-SD 4.05Å; F270-M274 HydrophobicContact CZ-CE 4.36Å
271P86.4Confident92.3Very high6 Ų620.2 Ų20.24%0.03910%0.104CC..THydrogen-bonded Turncis-88.3-7.5934.2-35.8000115.4M204 I207 T273 M274 V275M204-P271 HydrophobicContact CE-CB 3.3Å; M204-P271 HydrophobicContact CE-CG 4.39Å; M204-P271 HydrophobicContact SD-CB 4.31Å; I207-P271 HydrophobicContact CG2-CG 3.87Å; P271-T273 VanDerWaalsContact C-N 3.27Å; P271-T273 PolarHBondContact O-N 3.32Å; P271-M274 WeakPolarHBondContact O-CB 3.49Å; P271-M274 PolarHBondContact O-N 2.98Å; P271-V275 PolarHBondContact O-N 2.68Å
272G89.4Confident92.2Very high6 Ų623.1 Ų23.16%0.06213%0.128CC..Hα-helixtrans-57.3-37.8-175.300000113.5G269 M274 V275 L276G269-G272 WeakPolarHBondContact O-CA 3.14Å; G269-G272 PolarHBondContact O-N 3.19Å; G272-M274 VanDerWaalsContact C-N 3.28Å; G272-M274 PolarHBondContact O-N 3.29Å; G272-V275 PolarHBondContact O-N 3.44Å; G272-L276 WeakPolarHBondContact O-CB 3.34Å; G272-L276 WeakPolarHBondContact O-CG 3.49Å; G272-L276 PolarHBondContact O-N 3.35Å
273T92.3Very high92.3Very high0 Ų026.2 Ų26.20%015%0.154CC..Hα-helixtrans-60-36.6174.4530000113T265 F268 G269 P271 T277 M302T265-T273 HydrophobicContact CG2-CG2 3.77Å; F268-T273 HydrophobicContact CD2-CG2 4.16Å; F268-T273 HydrophobicContact CE2-CG2 3.9Å; G269-T273 PolarHBondContact O-N 3Å; G269-T273 VanDerWaalsContact O-N 3.16Å; P271-T273 VanDerWaalsContact C-N 3.27Å; P271-T273 PolarHBondContact O-N 3.32Å; T273-T277 WeakPolarHBondContact O-CB 3.42Å; T273-T277 PolarHBondContact O-N 3.41Å; T273-T277 PolarHBondContact O-OG1 2.77Å; T273-M302 WeakPolarHBondContact CG2-O 3.5Å
274M91.5Very high92.4Very high31 Ų3127 Ų2715%0.15316%0.158CC..Hα-helixtrans-75.2-51.3176.9176.1-170.1-82.800111.2F200 M204 F270 P271 G272 L276 T277 K278 L299F200-M274 HydrophobicContact CE2-CE 4.45Å; F200-M274 HydrophobicContact CE2-SD 4.47Å; F200-M274 HydrophobicContact CZ-CE 4.11Å; F200-M274 HydrophobicContact CZ-SD 3.67Å; M204-M274 HydrophobicContact CE-SD 3.93Å; F270-M274 HydrophobicContact CD2-CB 4.38Å; F270-M274 HydrophobicContact CE2-CB 4.18Å; F270-M274 HydrophobicContact CE2-CE 3.65Å; F270-M274 HydrophobicContact CE2-SD 4.05Å; F270-M274 HydrophobicContact CZ-CE 4.36Å; P271-M274 WeakPolarHBondContact O-CB 3.49Å; P271-M274 PolarHBondContact O-N 2.98Å; G272-M274 VanDerWaalsContact C-N 3.28Å; G272-M274 PolarHBondContact O-N 3.29Å; M274-L276 PolarHBondContact O-N 2.98Å; M274-T277 PolarHBondContact O-N 3.06Å; M274-K278 HydrophobicContact CG-CD 4.29Å; M274-K278 HydrophobicContact CG-CG 4.4Å; M274-K278 WeakPolarHBondContact O-CG 3.4Å; M274-K278 PolarHBondContact O-N 3.04Å; M274-L299 HydrophobicContact CB-CD1 4Å; M274-L299 HydrophobicContact CG-CD1 3.91Å
275V92.5Very high92.3Very high47 Ų4727.5 Ų27.529%0.28516%0.163SC..Hα-helixtrans-57.4-51.4-176.1172.80000110.5M204 P271 G272 T277 K278 E279M204-V275 HydrophobicContact CE-CG2 4.45Å; P271-V275 PolarHBondContact O-N 2.68Å; G272-V275 PolarHBondContact O-N 3.44Å; V275-T277 VanDerWaalsContact C-N 3.28Å; V275-T277 PolarHBondContact O-N 3.21Å; V275-K278 PolarHBondContact O-N 3.37Å; V275-E279 HydrophobicContact CG1-CG 4.33Å; V275-E279 WeakPolarHBondContact CG1-OE1 3.48Å; V275-E279 WeakPolarHBondContact O-CB 3.5Å; V275-E279 WeakPolarHBondContact O-CG 3.23Å; V275-E279 PolarHBondContact O-N 2.86Å
276L94.7Very high92.2Very high14 Ų1434.1 Ų34.17%0.07319%0.194CC..Hα-helixtrans-65.3-32.1-179.1-66.3-179.5000113.2F96 T99 A100 L103 F268 G272 M274 A280F96-L276 HydrophobicContact CB-CD1 4.24Å; F96-L276 HydrophobicContact CD1-CD1 3.81Å; F96-L276 HydrophobicContact CG-CD1 4.46Å; T99-L276 HydrophobicContact CG2-CD1 4.38Å; A100-L276 HydrophobicContact CB-CD2 3.98Å; L103-L276 HydrophobicContact CD1-CB 3.82Å; F268-L276 HydrophobicContact CE2-CD1 3.89Å; F268-L276 HydrophobicContact CZ-CD1 3.72Å; G272-L276 WeakPolarHBondContact O-CB 3.34Å; G272-L276 WeakPolarHBondContact O-CG 3.49Å; G272-L276 PolarHBondContact O-N 3.35Å; M274-L276 PolarHBondContact O-N 2.98Å; L276-A280 WeakPolarHBondContact O-CB 3.32Å; L276-A280 PolarHBondContact O-N 3.34Å
277T95.2Very high92.3Very high1 Ų136.9 Ų36.91%0.00621%0.211CC..Hα-helixtrans-69.9-44.3176.5-58.30000111T273 M274 V275 A280 A281 I298 L299T273-T277 WeakPolarHBondContact O-CB 3.42Å; T273-T277 PolarHBondContact O-N 3.41Å; T273-T277 PolarHBondContact O-OG1 2.77Å; M274-T277 PolarHBondContact O-N 3.06Å; V275-T277 VanDerWaalsContact C-N 3.28Å; V275-T277 PolarHBondContact O-N 3.21Å; T277-A280 PolarHBondContact O-N 2.92Å; T277-A281 WeakPolarHBondContact O-CB 3.45Å; T277-A281 PolarHBondContact O-N 3.05Å; T277-I298 HydrophobicContact CG2-CB 3.82Å; T277-I298 HydrophobicContact CG2-CG2 3.56Å; T277-L299 HydrophobicContact CG2-CB 3.87Å; T277-L299 HydrophobicContact CG2-CD1 4.2Å
278K94.3Very high92.1Very high82 Ų8245.1 Ų45.136%0.35725%0.25SC..Hα-helixtrans-65.6-42.8177-69.5-162.2163.4-160.40112.2M274 V275 A280 A281 A282 E295M274-K278 HydrophobicContact CG-CD 4.29Å; M274-K278 HydrophobicContact CG-CG 4.4Å; M274-K278 WeakPolarHBondContact O-CG 3.4Å; M274-K278 PolarHBondContact O-N 3.04Å; V275-K278 PolarHBondContact O-N 3.37Å; K278-A280 VanDerWaalsContact C-N 3.33Å; K278-A280 PolarHBondContact O-N 3.47Å; K278-A281 PolarHBondContact O-N 2.89Å; K278-A282 WeakPolarHBondContact O-CB 3.44Å; K278-A282 PolarHBondContact O-N 3.43Å; K278-E295 WeakPolarHBondContact CG-OE1 3.19Å
279E95Very high92.1Very high110 Ų11049 Ų4951%0.51427%0.268SS..Hα-helixtrans-62.4-40.2174.4-74.3177.7178.500111.9V275 A283V275-E279 HydrophobicContact CG1-CG 4.33Å; V275-E279 WeakPolarHBondContact CG1-OE1 3.48Å; V275-E279 WeakPolarHBondContact O-CB 3.5Å; V275-E279 WeakPolarHBondContact O-CG 3.23Å; V275-E279 PolarHBondContact O-N 2.86Å; E279-A283 WeakPolarHBondContact O-CB 3.31Å; E279-A283 PolarHBondContact O-N 3.07Å
280A96.4Very high92.3Very high3 Ų348.8 Ų48.83%0.02526%0.262CS..Hα-helixtrans-66.3-39.7175.500000112.2L103 K104 A107 L276 T277 K278 V284L103-A280 HydrophobicContact CB-CB 3.67Å; K104-A280 HydrophobicContact CG-CB 4.29Å; A107-A280 HydrophobicContact CB-CB 4.48Å; L276-A280 WeakPolarHBondContact O-CB 3.32Å; L276-A280 PolarHBondContact O-N 3.34Å; T277-A280 PolarHBondContact O-N 2.92Å; K278-A280 VanDerWaalsContact C-N 3.33Å; K278-A280 PolarHBondContact O-N 3.47Å; A280-V284 WeakPolarHBondContact O-CB 2.94Å; A280-V284 WeakPolarHBondContact O-CG2 3.16Å; A280-V284 PolarHBondContact O-N 3.21Å
281A95.5Very high92.6Very high0 Ų047 Ų470%026%0.256CS..Hα-helixtrans-64-49.817500000111.2T277 K278 A283 V284 G285 I291 I294 E295T277-A281 WeakPolarHBondContact O-CB 3.45Å; T277-A281 PolarHBondContact O-N 3.05Å; K278-A281 PolarHBondContact O-N 2.89Å; A281-A283 VanDerWaalsContact C-N 3.32Å; A281-A283 PolarHBondContact O-N 3.24Å; A281-V284 PolarHBondContact O-N 2.9Å; A281-G285 PolarHBondContact O-N 3.3Å; A281-I291 HydrophobicContact CB-CG2 4.12Å; A281-I294 HydrophobicContact CB-CB 4Å; A281-I294 HydrophobicContact CB-CG2 3.7Å; A281-E295 HydrophobicContact CB-CG 3.6Å
282A95.1Very high92.7Very high61 Ų6148.1 Ų48.150%0.50427%0.266SS..Hα-helixtrans-64.6-32.217800000113.4K278 V284K278-A282 WeakPolarHBondContact O-CB 3.44Å; K278-A282 PolarHBondContact O-N 3.43Å; A282-V284 VanDerWaalsContact C-N 3.31Å
283A96Very high92.7Very high65 Ų6547.9 Ų47.954%0.53726%0.263SS..Hα-helixtrans-75.3-19178.200000113.7E279 A281E279-A283 WeakPolarHBondContact O-CB 3.31Å; E279-A283 PolarHBondContact O-N 3.07Å; A281-A283 VanDerWaalsContact C-N 3.32Å; A281-A283 PolarHBondContact O-N 3.24Å
284V95.7Very high92.7Very high17 Ų1747.9 Ų47.910%0.10326%0.263CS..Hα-helixtrans-114.6-36.9-173.4172.70000112.8A107 L108 K111 A280 A281 A282 I294A107-V284 HydrophobicContact CB-CB 3.94Å; A107-V284 HydrophobicContact CB-CG1 4.13Å; A107-V284 HydrophobicContact CB-CG2 3.88Å; L108-V284 HydrophobicContact CB-CG1 4.44Å; L108-V284 HydrophobicContact CD2-CG1 3.65Å; L108-V284 HydrophobicContact CD2-CG2 4.41Å; L108-V284 HydrophobicContact CG-CG1 3.84Å; L108-V284 HydrophobicContact CG-CG2 4.06Å; K111-V284 HydrophobicContact CB-CG1 4.25Å; K111-V284 HydrophobicContact CD-CG1 3.75Å; K111-V284 WeakPolarHBondContact CD-O 3.32Å; K111-V284 PolarHBondContact NZ-O 3.48Å; A280-V284 WeakPolarHBondContact O-CB 2.94Å; A280-V284 WeakPolarHBondContact O-CG2 3.16Å; A280-V284 PolarHBondContact O-N 3.21Å; A281-V284 PolarHBondContact O-N 2.9Å; A282-V284 VanDerWaalsContact C-N 3.31Å; V284-I294 HydrophobicContact CB-CD1 4.42Å; V284-I294 HydrophobicContact CG1-CD1 4.23Å
285G92.2Very high92.7Very high11 Ų1148.6 Ų48.611%0.11327%0.266CS..  trans-70.2130176.700000111A281A281-G285 PolarHBondContact O-N 3.3Å
286E92.4Very high92.4Very high140 Ų14047.9 Ų47.965%0.65426%0.26SS*.SBendtrans-92.8-23.7177.2-77.1158.9-142.200112K111 R115 E290K111-E286 VanDerWaalsContact NZ-CG 3.32Å; K111-E286 IonicContact NZ-OE1 3.91Å; K111-E286 PolarHBondContact NZ-OE1 3.09Å; K111-E286 IonicContact NZ-OE2 2.75Å; R115-E286 IonicContact CZ-OE2 3.83Å; R115-E286 IonicContact NH2-OE1 2.82Å; R115-E286 IonicContact NH2-OE2 3.6Å; R115-E286 PolarHBondContact NH2-OE2 3.09Å; E286-E290 PolarHBondContact N-OE2 3.01Å
287T91.7Very high92.2Very high66 Ų6649.5 Ų49.541%0.40527%0.268SS..SBendtrans-120156.3177.967.60000110.4E289 E290 I291T287-E289 PolarHBondContact O-N 3.46Å; T287-E290 PolarHBondContact O-N 2.86Å; T287-E290 VanDerWaalsContact O-N 3.14Å; T287-E290 WeakPolarHBondContact OG1-CB 3.28Å; T287-E290 WeakPolarHBondContact OG1-CG 3.31Å; T287-E290 PolarHBondContact OG1-N 2.81Å; T287-I291 WeakPolarHBondContact O-CG1 3.34Å; T287-I291 PolarHBondContact O-N 2.9Å
288E88.2Confident92.1Very high179 Ų17949.6 Ų49.684%0.83627%0.269SS*.Hα-helixtrans-57.2-35.7174.7-66-173.5167.400111.8I291 A292E288-I291 PolarHBondContact O-N 3.39Å; E288-A292 WeakPolarHBondContact O-CB 3.33Å; E288-A292 PolarHBondContact O-N 2.66Å
289E87.4Confident91.9Very high92 Ų9247.1 Ų47.143%0.4326%0.259SS..Hα-helixtrans-64.8-46.8175.1-169.9-178.8-153.800112Y114 F121 T287 I291 A292 V293Y114-E289 PolarHBondContact OH-OE1 3.07Å; Y114-E289 PolarHBondContact OH-OE2 3.14Å; F121-E289 HydrophobicContact CD1-CG 4.47Å; F121-E289 HydrophobicContact CG-CG 4.47Å; T287-E289 PolarHBondContact O-N 3.46Å; E289-I291 VanDerWaalsContact C-N 3.33Å; E289-I291 PolarHBondContact O-N 3.48Å; E289-A292 PolarHBondContact O-N 3Å; E289-V293 VanDerWaalsContact O-CG2 3.25Å; E289-V293 WeakPolarHBondContact O-CG2 3.44Å; E289-V293 PolarHBondContact O-N 3.49Å
290E90.6Very high91.5Very high12 Ų1243.9 Ų43.96%0.05625%0.248CC..Hα-helixtrans-61-42.5176.3-77.7-175.4170.200111.6K111 Y114 R115 E286 T287 A292 V293 I294K111-E290 WeakPolarHBondContact CE-OE2 3.32Å; K111-E290 IonicContact NZ-OE1 3.53Å; K111-E290 IonicContact NZ-OE2 3.56Å; K111-E290 PolarHBondContact NZ-OE2 3.39Å; Y114-E290 HydrophobicContact CD1-CG 4.19Å; Y114-E290 HydrophobicContact CE1-CG 4.3Å; R115-E290 IonicContact CZ-OE1 3.2Å; R115-E290 IonicContact NE-OE1 2.79Å; R115-E290 PolarHBondContact NE-OE1 2.88Å; R115-E290 IonicContact NH2-OE1 2.65Å; R115-E290 PolarHBondContact NH2-OE1 2.97Å; R115-E290 IonicContact NH2-OE2 3.32Å; E286-E290 PolarHBondContact N-OE2 3.01Å; T287-E290 PolarHBondContact O-N 2.86Å; T287-E290 VanDerWaalsContact O-N 3.14Å; T287-E290 WeakPolarHBondContact OG1-CB 3.28Å; T287-E290 WeakPolarHBondContact OG1-CG 3.31Å; T287-E290 PolarHBondContact OG1-N 2.81Å; E290-A292 VanDerWaalsContact C-N 3.34Å; E290-A292 PolarHBondContact O-N 3.25Å; E290-V293 PolarHBondContact O-N 3.48Å; E290-I294 WeakPolarHBondContact O-CD1 3.24Å; E290-I294 WeakPolarHBondContact O-CG1 2.94Å; E290-I294 PolarHBondContact O-N 3.36Å
291I91.6Very high91.3Very high45 Ų4544.5 Ų44.523%0.23125%0.251CS..Hα-helixtrans-60.1-47.4176.6-64.9170.9000109.6A281 T287 E288 E289 V293 I294 E295A281-I291 HydrophobicContact CB-CG2 4.12Å; T287-I291 WeakPolarHBondContact O-CG1 3.34Å; T287-I291 PolarHBondContact O-N 2.9Å; E288-I291 PolarHBondContact O-N 3.39Å; E289-I291 VanDerWaalsContact C-N 3.33Å; E289-I291 PolarHBondContact O-N 3.48Å; I291-V293 PolarHBondContact O-N 2.6Å; I291-I294 PolarHBondContact O-N 3.19Å; I291-E295 HydrophobicContact CG2-CG 4.46Å; I291-E295 WeakPolarHBondContact O-CG 3.24Å; I291-E295 PolarHBondContact O-N 3.39Å
292A88.7Confident91.2Very high28 Ų2844.5 Ų44.523%0.23125%0.251CS..Hα-helixtrans-62.2-43179.600000112.5F121 E288 E289 E290 I294 E295 Q296F121-A292 HydrophobicContact CE2-CB 3.91Å; F121-A292 HydrophobicContact CZ-CB 4.43Å; E288-A292 WeakPolarHBondContact O-CB 3.33Å; E288-A292 PolarHBondContact O-N 2.66Å; E289-A292 PolarHBondContact O-N 3Å; E290-A292 VanDerWaalsContact C-N 3.34Å; E290-A292 PolarHBondContact O-N 3.25Å; A292-I294 PolarHBondContact O-N 3.48Å; A292-E295 PolarHBondContact O-N 3.03Å; A292-Q296 VanDerWaalsContact O-CB 3.25Å; A292-Q296 WeakPolarHBondContact O-CB 3.1Å; A292-Q296 PolarHBondContact O-N 3.31Å
293V89.5Confident90.9Very high1 Ų143 Ų431%0.00624%0.235CC..Hα-helixtrans-60.6-44.8175.9173.30000111.1V110 Y114 F121 E289 E290 I291 Q296 N297V110-V293 HydrophobicContact CG1-CG1 4.36Å; Y114-V293 HydrophobicContact CD1-CG2 4.49Å; Y114-V293 HydrophobicContact CD2-CB 4.4Å; Y114-V293 HydrophobicContact CD2-CG1 3.85Å; Y114-V293 HydrophobicContact CD2-CG2 3.82Å; Y114-V293 HydrophobicContact CE1-CG2 4.39Å; Y114-V293 HydrophobicContact CE2-CG2 3.73Å; Y114-V293 HydrophobicContact CG-CB 4.49Å; Y114-V293 HydrophobicContact CG-CG1 3.99Å; Y114-V293 HydrophobicContact CG-CG2 4.23Å; F121-V293 HydrophobicContact CB-CG2 3.86Å; F121-V293 HydrophobicContact CD2-CG2 3.39Å; F121-V293 HydrophobicContact CE2-CG2 4.23Å; F121-V293 HydrophobicContact CG-CG2 3.98Å; E289-V293 VanDerWaalsContact O-CG2 3.25Å; E289-V293 WeakPolarHBondContact O-CG2 3.44Å; E289-V293 PolarHBondContact O-N 3.49Å; E290-V293 PolarHBondContact O-N 3.48Å; I291-V293 PolarHBondContact O-N 2.6Å; V293-Q296 PolarHBondContact O-N 3.48Å; V293-N297 PolarHBondContact O-N 2.78Å; V293-N297 PolarHBondContact O-ND2 3.06Å
294I92.8Very high90.4Very high1 Ų140.4 Ų40.41%0.00521%0.212CC..Hα-helixtrans-64.2-48.4179-64.9162.5000110.1A107 V110 K111 A281 V284 E290 I291 A292 Q296 N297 I298A107-I294 HydrophobicContact CB-CD1 4.42Å; A107-I294 HydrophobicContact CB-CG2 3.7Å; V110-I294 HydrophobicContact CG1-CG1 4.25Å; K111-I294 HydrophobicContact CB-CD1 4.2Å; A281-I294 HydrophobicContact CB-CB 4Å; A281-I294 HydrophobicContact CB-CG2 3.7Å; V284-I294 HydrophobicContact CB-CD1 4.42Å; V284-I294 HydrophobicContact CG1-CD1 4.23Å; E290-I294 WeakPolarHBondContact O-CD1 3.24Å; E290-I294 WeakPolarHBondContact O-CG1 2.94Å; E290-I294 PolarHBondContact O-N 3.36Å; I291-I294 PolarHBondContact O-N 3.19Å; A292-I294 PolarHBondContact O-N 3.48Å; I294-Q296 VanDerWaalsContact C-N 3.33Å; I294-Q296 PolarHBondContact O-N 3.14Å; I294-N297 PolarHBondContact O-N 2.91Å; I294-I298 HydrophobicContact CG2-CD1 3.63Å; I294-I298 HydrophobicContact CG2-CG1 4.35Å; I294-I298 WeakPolarHBondContact O-CB 3.49Å; I294-I298 WeakPolarHBondContact O-CG1 3.22Å; I294-I298 PolarHBondContact O-N 3.22Å
295E91.4Very high90.1Very high46 Ų4639.6 Ų39.622%0.21521%0.207CC..Hα-helixtrans-58.7-45.7177.6-74.3-164.8-174.800111.3K278 A281 I291 A292 N297 I298 L299 P300K278-E295 WeakPolarHBondContact CG-OE1 3.19Å; A281-E295 HydrophobicContact CB-CG 3.6Å; I291-E295 HydrophobicContact CG2-CG 4.46Å; I291-E295 WeakPolarHBondContact O-CG 3.24Å; I291-E295 PolarHBondContact O-N 3.39Å; A292-E295 PolarHBondContact O-N 3.03Å; E295-N297 PolarHBondContact O-N 3.22Å; E295-I298 PolarHBondContact O-N 2.83Å; E295-L299 WeakPolarHBondContact O-CB 3.03Å; E295-L299 PolarHBondContact O-N 3.33Å; E295-P300 WeakPolarHBondContact O-CD 3.29Å
296Q86.5Confident90Very high32 Ų3239.1 Ų39.115%0.1520%0.203CC..Hα-helixtrans-57.6-37.5179.7-179.617417.300112.6F122 E125 V126 A292 V293 I294 P300F122-Q296 PolarHBondContact O-NE2 2.93Å; E125-Q296 PolarHBondContact OE2-NE2 3.49Å; V126-Q296 HydrophobicContact CG2-CG 4.48Å; A292-Q296 VanDerWaalsContact O-CB 3.25Å; A292-Q296 WeakPolarHBondContact O-CB 3.1Å; A292-Q296 PolarHBondContact O-N 3.31Å; V293-Q296 PolarHBondContact O-N 3.48Å; I294-Q296 VanDerWaalsContact C-N 3.33Å; I294-Q296 PolarHBondContact O-N 3.14Å; Q296-P300 VanDerWaalsContact O-CD 3.28Å; Q296-P300 WeakPolarHBondContact O-CD 3.41Å; Q296-P300 WeakPolarHBondContact O-CG 3.36Å
297N89.2Confident89.5Confident48 Ų4834.6 Ų34.626%0.25718%0.181SC..Hα-helixtrans-87.7-28-176.3-78-83.8000113.7V110 L119 V293 I294 E295 I301V110-N297 HydrophobicContact CG1-CB 4.04Å; L119-N297 WeakPolarHBondContact CD2-OD1 3.31Å; V293-N297 PolarHBondContact O-N 2.78Å; V293-N297 PolarHBondContact O-ND2 3.06Å; I294-N297 PolarHBondContact O-N 2.91Å; E295-N297 PolarHBondContact O-N 3.22Å; N297-I301 WeakPolarHBondContact O-CD1 3.1Å
298I93.1Very high89.1Confident2 Ų231.6 Ų31.61%0.0116%0.163CC..Hα-helixtrans-103.9-41.4-173.7-56.7-178.7000112L103 E106 A107 V110 T277 I294 E295 I301 M302L103-I298 HydrophobicContact CD2-CG2 3.85Å; E106-I298 HydrophobicContact CB-CD1 4.21Å; E106-I298 HydrophobicContact CG-CD1 3.83Å; E106-I298 HydrophobicContact CG-CG1 4.3Å; A107-I298 HydrophobicContact CB-CD1 4.28Å; V110-I298 HydrophobicContact CG2-CD1 4.13Å; V110-I298 HydrophobicContact CG2-CG1 4.16Å; T277-I298 HydrophobicContact CG2-CB 3.82Å; T277-I298 HydrophobicContact CG2-CG2 3.56Å; I294-I298 HydrophobicContact CG2-CD1 3.63Å; I294-I298 HydrophobicContact CG2-CG1 4.35Å; I294-I298 WeakPolarHBondContact O-CB 3.49Å; I294-I298 WeakPolarHBondContact O-CG1 3.22Å; I294-I298 PolarHBondContact O-N 3.22Å; E295-I298 PolarHBondContact O-N 2.83Å; I298-I301 WeakPolarHBondContact O-CB 3.48Å; I298-I301 PolarHBondContact O-N 3.41Å; I298-M302 HydrophobicContact CG2-CG 3.8Å; I298-M302 WeakPolarHBondContact O-CG 3.39Å; I298-M302 PolarHBondContact O-N 3.48Å
299L90.8Very high89Confident30 Ų3023.1 Ų23.116%0.15712%0.123CC..Hα-helixtrans-63.1-46.4-170.4-17964.8000113.1M274 T277 E295 I301 M302 V303M274-L299 HydrophobicContact CB-CD1 4Å; M274-L299 HydrophobicContact CG-CD1 3.91Å; T277-L299 HydrophobicContact CG2-CB 3.87Å; T277-L299 HydrophobicContact CG2-CD1 4.2Å; E295-L299 WeakPolarHBondContact O-CB 3.03Å; E295-L299 PolarHBondContact O-N 3.33Å; L299-I301 PolarHBondContact O-N 3.45Å; L299-M302 PolarHBondContact O-N 3.15Å; L299-V303 HydrophobicContact CD1-CG2 3.77Å; L299-V303 HydrophobicContact CG-CG2 4.25Å; L299-V303 WeakPolarHBondContact O-CB 3.32Å; L299-V303 VanDerWaalsContact O-CG2 3.31Å; L299-V303 WeakPolarHBondContact O-CG2 3.29Å; L299-V303 PolarHBondContact O-N 3.28Å
300P87Confident88.7Confident42 Ų4221.6 Ų21.627%0.27312%0.117SC..Hα-helixtrans-60-36.4177.2-23.735.3000112.5M2 E295 Q296 T304M2-P300 HydrophobicContact CE-CB 4.11Å; E295-P300 WeakPolarHBondContact O-CD 3.29Å; Q296-P300 VanDerWaalsContact O-CD 3.28Å; Q296-P300 WeakPolarHBondContact O-CD 3.41Å; Q296-P300 WeakPolarHBondContact O-CG 3.36Å; P300-T304 WeakPolarHBondContact O-CB 3.4Å; P300-T304 PolarHBondContact O-N 3.45Å; P300-T304 VanDerWaalsContact O-N 3.08Å; P300-T304 PolarHBondContact O-OG1 3.37Å
301I91.3Very high88Confident17 Ų1722 Ų229%0.08712%0.121CC..Hα-helixtrans-66.6-51.3178.6-58.4-177.5000109.8T13 Y254 L258 V262 N297 I298 L299 V303 T304 A305T13-I301 HydrophobicContact CG2-CG2 3.94Å; T13-I301 VanDerWaalsContact CG2-O 3.27Å; T13-I301 WeakPolarHBondContact CG2-O 3.33Å; Y254-I301 HydrophobicContact CE2-CG2 4.28Å; L258-I301 HydrophobicContact CD1-CD1 4.47Å; L258-I301 HydrophobicContact CD1-CG2 3.97Å; L258-I301 HydrophobicContact CD2-CD1 3.77Å; L258-I301 HydrophobicContact CD2-CG2 4.46Å; L258-I301 HydrophobicContact CG-CG2 4.39Å; V262-I301 HydrophobicContact CG2-CG2 3.71Å; N297-I301 WeakPolarHBondContact O-CD1 3.1Å; I298-I301 WeakPolarHBondContact O-CB 3.48Å; I298-I301 PolarHBondContact O-N 3.41Å; L299-I301 PolarHBondContact O-N 3.45Å; I301-V303 PolarHBondContact O-N 3.3Å; I301-T304 PolarHBondContact O-N 3.43Å; I301-A305 VanDerWaalsContact O-CB 3.29Å; I301-A305 WeakPolarHBondContact O-CB 3.13Å; I301-A305 PolarHBondContact O-N 3.14Å
302M93.5Very high87.6Confident0 Ų021.4 Ų21.40%012%0.118CC..Hα-helixtrans-66.6-38-176.8-70.5-57.2-62.100112.9T99 L103 A261 V262 T265 T273 I298 L299 A305 G306T99-M302 HydrophobicContact CG2-CE 4.12Å; L103-M302 HydrophobicContact CD1-CE 4.34Å; L103-M302 HydrophobicContact CD2-CE 4.24Å; L103-M302 HydrophobicContact CD2-CG 4.01Å; L103-M302 HydrophobicContact CD2-SD 3.96Å; A261-M302 HydrophobicContact CB-CE 4.05Å; A261-M302 HydrophobicContact CB-SD 3.76Å; A261-M302 WeakPolarHBondContact O-CE 3.3Å; V262-M302 HydrophobicContact CG2-SD 4.43Å; T265-M302 HydrophobicContact CG2-CE 3.47Å; T265-M302 VanDerWaalsContact CG2-CE 3.47Å; T265-M302 HydrophobicContact CG2-SD 4.44Å; T273-M302 WeakPolarHBondContact CG2-O 3.5Å; I298-M302 HydrophobicContact CG2-CG 3.8Å; I298-M302 WeakPolarHBondContact O-CG 3.39Å; I298-M302 PolarHBondContact O-N 3.48Å; L299-M302 PolarHBondContact O-N 3.15Å; M302-A305 PolarHBondContact O-N 2.94Å; M302-G306 PolarHBondContact O-N 3.28Å; M302-G306 VanDerWaalsContact O-N 3.12Å
303V88.4Confident86.9Confident29 Ų2920.3 Ų20.318%0.17611%0.108CC..Hα-helixtrans-65.6-46175.4172.60000110.5L299 I301 A305 G306 F307L299-V303 HydrophobicContact CD1-CG2 3.77Å; L299-V303 HydrophobicContact CG-CG2 4.25Å; L299-V303 WeakPolarHBondContact O-CB 3.32Å; L299-V303 VanDerWaalsContact O-CG2 3.31Å; L299-V303 WeakPolarHBondContact O-CG2 3.29Å; L299-V303 PolarHBondContact O-N 3.28Å; I301-V303 PolarHBondContact O-N 3.3Å; V303-A305 PolarHBondContact O-N 3.46Å; V303-G306 PolarHBondContact O-N 2.99Å; V303-F307 HydrophobicContact CG1-CD2 3.91Å; V303-F307 HydrophobicContact CG1-CE2 3.52Å; V303-F307 WeakPolarHBondContact O-CD2 3.41Å; V303-F307 PolarHBondContact O-N 3.21Å
304T85.7Confident85.8Confident10 Ų1020.8 Ų20.86%0.06111%0.111CC..Hα-helixtrans-64.7-38.3176.5-65.50000112.9M2 Q10 T13 P300 I301 F307 S308M2-T304 WeakPolarHBondContact CE-OG1 3.44Å; M2-T304 PolarHBondContact SD-OG1 3.33Å; M2-T304 VanDerWaalsContact SD-OG1 3.33Å; Q10-T304 HydrophobicContact CB-CG2 3.96Å; T13-T304 HydrophobicContact CG2-CG2 4.11Å; P300-T304 WeakPolarHBondContact O-CB 3.4Å; P300-T304 PolarHBondContact O-N 3.45Å; P300-T304 VanDerWaalsContact O-N 3.08Å; P300-T304 PolarHBondContact O-OG1 3.37Å; I301-T304 PolarHBondContact O-N 3.43Å; T304-F307 PolarHBondContact O-N 2.96Å; T304-S308 WeakPolarHBondContact O-CB 3.33Å; T304-S308 PolarHBondContact O-N 3.22Å
305A91.1Very high84.6Confident0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-57-50.8175.400000110.9T13 V262 T265 I301 M302 V303 F307 S308 T309T13-A305 HydrophobicContact CG2-CB 3.67Å; V262-A305 HydrophobicContact CB-CB 4.2Å; V262-A305 HydrophobicContact CG1-CB 3.77Å; V262-A305 HydrophobicContact CG2-CB 4.14Å; T265-A305 HydrophobicContact CG2-CB 3.74Å; T265-A305 VanDerWaalsContact OG1-C 3.26Å; T265-A305 WeakPolarHBondContact OG1-CB 3.11Å; T265-A305 PolarHBondContact OG1-O 3.47Å; I301-A305 VanDerWaalsContact O-CB 3.29Å; I301-A305 WeakPolarHBondContact O-CB 3.13Å; I301-A305 PolarHBondContact O-N 3.14Å; M302-A305 PolarHBondContact O-N 2.94Å; V303-A305 PolarHBondContact O-N 3.46Å; A305-F307 VanDerWaalsContact C-N 3.29Å; A305-F307 PolarHBondContact O-N 3.42Å; A305-S308 WeakPolarHBondContact O-CB 3.48Å; A305-S308 PolarHBondContact O-N 3.26Å; A305-S308 VanDerWaalsContact O-N 3.09Å; A305-T309 WeakPolarHBondContact O-CG2 3.06Å; A305-T309 PolarHBondContact O-N 3.02Å; A305-T309 PolarHBondContact O-OG1 3.21Å
306G88.9Confident83.6Confident2 Ų223.1 Ų23.12%0.02113%0.127CC..Hα-helixtrans-60-34.9177.800000113.8T265 M302 V303 T309 I310T265-G306 PolarHBondContact OG1-N 3.46Å; M302-G306 PolarHBondContact O-N 3.28Å; M302-G306 VanDerWaalsContact O-N 3.12Å; V303-G306 PolarHBondContact O-N 2.99Å; G306-T309 PolarHBondContact O-OG1 3.27Å; G306-T309 VanDerWaalsContact O-OG1 3.12Å; G306-I310 WeakPolarHBondContact O-CB 2.97Å; G306-I310 WeakPolarHBondContact O-CD1 3.44Å; G306-I310 WeakPolarHBondContact O-CG1 3.2Å; G306-I310 PolarHBondContact O-N 3.13Å
307F82.4Confident82.5Confident45 Ų4522.4 Ų22.420%0.19713%0.125CC..Hα-helixtrans-72-42.2172.8-73-63.9000112.4L177 V303 T304 A305 I310 T311L177-F307 HydrophobicContact CD1-CD2 4.32Å; L177-F307 HydrophobicContact CD1-CE2 4.25Å; L177-F307 HydrophobicContact CD2-CB 3.96Å; L177-F307 HydrophobicContact CD2-CD1 4.46Å; L177-F307 HydrophobicContact CD2-CD2 4.03Å; L177-F307 HydrophobicContact CD2-CG 3.91Å; V303-F307 HydrophobicContact CG1-CD2 3.91Å; V303-F307 HydrophobicContact CG1-CE2 3.52Å; V303-F307 WeakPolarHBondContact O-CD2 3.41Å; V303-F307 PolarHBondContact O-N 3.21Å; T304-F307 PolarHBondContact O-N 2.96Å; A305-F307 VanDerWaalsContact C-N 3.29Å; A305-F307 PolarHBondContact O-N 3.42Å; F307-I310 PolarHBondContact O-N 2.92Å; F307-T311 WeakPolarHBondContact O-CB 2.96Å; F307-T311 PolarHBondContact O-N 3.33Å; F307-T311 PolarHBondContact O-OG1 3.14Å
308S83.1Confident80.8Confident2 Ų220.5 Ų20.51%0.01412%0.117CC..Hα-helixtrans-58.5-50.3178.3176.40000111.4F14 S18 T304 A305 I310 T311 I312F14-S308 WeakPolarHBondContact CD2-OG 3.26Å; F14-S308 PolarHBondContact O-OG 2.75Å; F14-S308 VanDerWaalsContact O-OG 3.06Å; S18-S308 PolarHBondContact OG-OG 3.29Å; S18-S308 VanDerWaalsContact OG-OG 3.09Å; T304-S308 WeakPolarHBondContact O-CB 3.33Å; T304-S308 PolarHBondContact O-N 3.22Å; A305-S308 WeakPolarHBondContact O-CB 3.48Å; A305-S308 PolarHBondContact O-N 3.26Å; A305-S308 VanDerWaalsContact O-N 3.09Å; S308-I310 PolarHBondContact O-N 3.33Å; S308-T311 WeakPolarHBondContact O-CB 3.32Å; S308-T311 PolarHBondContact O-N 3.08Å; S308-I312 WeakPolarHBondContact O-CG1 3.48Å; S308-I312 PolarHBondContact O-N 3.32Å
309T87.1Confident78.9Confident2 Ų221.2 Ų21.21%0.01213%0.125CC..Hα-helixtrans-60.8-49.1-179.754.70000111.3V21 T265 A305 G306 T311 I312 T313V21-T309 HydrophobicContact CG2-CG2 3.9Å; T265-T309 PolarHBondContact O-OG1 2.82Å; T265-T309 VanDerWaalsContact OG1-CG2 3.32Å; T265-T309 WeakPolarHBondContact OG1-CG2 3.19Å; A305-T309 WeakPolarHBondContact O-CG2 3.06Å; A305-T309 PolarHBondContact O-N 3.02Å; A305-T309 PolarHBondContact O-OG1 3.21Å; G306-T309 PolarHBondContact O-OG1 3.27Å; G306-T309 VanDerWaalsContact O-OG1 3.12Å; T309-T311 VanDerWaalsContact C-N 3.29Å; T309-T311 PolarHBondContact O-N 3.47Å; T309-I312 PolarHBondContact O-N 3.13Å; T309-T313 VanDerWaalsContact O-CB 3.28Å; T309-T313 WeakPolarHBondContact O-CB 3.42Å; T309-T313 PolarHBondContact O-N 2.93Å; T309-T313 PolarHBondContact O-OG1 2.85Å
310I79.2Confident77.1Confident59 Ų5921.2 Ų21.230%0.30313%0.125SC..Hα-helixtrans-60.5-38.1177.4-67.3171.1000111.9G306 F307 S308 S314G306-I310 WeakPolarHBondContact O-CB 2.97Å; G306-I310 WeakPolarHBondContact O-CD1 3.44Å; G306-I310 WeakPolarHBondContact O-CG1 3.2Å; G306-I310 PolarHBondContact O-N 3.13Å; F307-I310 PolarHBondContact O-N 2.92Å; S308-I310 PolarHBondContact O-N 3.33Å; I310-S314 WeakPolarHBondContact O-CB 3.41Å; I310-S314 PolarHBondContact O-N 3.13Å; I310-S314 PolarHBondContact O-OG 2.97Å
311T77.3Confident75.4Confident22 Ų2221.4 Ų21.414%0.13513%0.126CC..Hα-helixtrans-62.2-53.5178.7-55.20000110.8V174 F307 S308 T309 T313 S314 V315V174-T311 HydrophobicContact CG1-CG2 3.99Å; V174-T311 HydrophobicContact CG2-CG2 3.96Å; V174-T311 WeakPolarHBondContact CG2-OG1 3.47Å; F307-T311 WeakPolarHBondContact O-CB 2.96Å; F307-T311 PolarHBondContact O-N 3.33Å; F307-T311 PolarHBondContact O-OG1 3.14Å; S308-T311 WeakPolarHBondContact O-CB 3.32Å; S308-T311 PolarHBondContact O-N 3.08Å; T309-T311 VanDerWaalsContact C-N 3.29Å; T309-T311 PolarHBondContact O-N 3.47Å; T311-T313 VanDerWaalsContact C-N 3.33Å; T311-T313 PolarHBondContact O-N 3.11Å; T311-S314 WeakPolarHBondContact O-CB 3.32Å; T311-S314 PolarHBondContact O-N 3.4Å; T311-S314 VanDerWaalsContact O-N 3.13Å; T311-V315 WeakPolarHBondContact O-CG2 3.47Å; T311-V315 PolarHBondContact O-N 3.01Å
312I81.8Confident73.4Confident31 Ų3123.8 Ų23.816%0.15914%0.139CC..Hα-helixtrans-65.4-41.4-177.4-65.7-52.6000111.1F14 S18 V21 V22 S308 T309 S314 V315 I316F14-I312 HydrophobicContact CZ-CD1 4.27Å; S18-I312 WeakPolarHBondContact OG-CG1 3.45Å; V21-I312 HydrophobicContact CB-CG2 4.04Å; V21-I312 HydrophobicContact CG1-CB 4.48Å; V21-I312 HydrophobicContact CG1-CG2 3.92Å; V22-I312 HydrophobicContact CG2-CG2 3.87Å; S308-I312 WeakPolarHBondContact O-CG1 3.48Å; S308-I312 PolarHBondContact O-N 3.32Å; T309-I312 PolarHBondContact O-N 3.13Å; I312-S314 VanDerWaalsContact C-N 3.31Å; I312-S314 PolarHBondContact O-N 2.84Å; I312-V315 PolarHBondContact O-N 3.17Å; I312-I316 HydrophobicContact CG2-CD1 3.73Å; I312-I316 HydrophobicContact CG2-CG1 4.29Å; I312-I316 VanDerWaalsContact O-CG1 3.29Å; I312-I316 WeakPolarHBondContact O-CG1 3.47Å; I312-I316 PolarHBondContact O-N 3.33Å
313T74.4Confident71.6Confident5 Ų525 Ų253%0.03115%0.145CC..Hα-helixtrans-54.6-48.1171.1-71.10000111.6V21 T49 T309 T311 V315 I316 T317V21-T313 WeakPolarHBondContact CG1-OG1 3.48Å; T49-T313 WeakPolarHBondContact O-CB 3.47Å; T49-T313 WeakPolarHBondContact O-CG2 3.39Å; T49-T313 PolarHBondContact O-OG1 3.18Å; T309-T313 VanDerWaalsContact O-CB 3.28Å; T309-T313 WeakPolarHBondContact O-CB 3.42Å; T309-T313 PolarHBondContact O-N 2.93Å; T309-T313 PolarHBondContact O-OG1 2.85Å; T311-T313 VanDerWaalsContact C-N 3.33Å; T311-T313 PolarHBondContact O-N 3.11Å; T313-V315 VanDerWaalsContact C-N 3.28Å; T313-V315 PolarHBondContact O-N 3.09Å; T313-I316 PolarHBondContact O-N 3.12Å; T313-T317 HydrophobicContact CG2-CG2 4.29Å; T313-T317 WeakPolarHBondContact O-CG2 3.43Å; T313-T317 PolarHBondContact O-N 3.29Å; T313-T317 PolarHBondContact O-OG1 3.27Å; T313-T317 VanDerWaalsContact O-OG1 3.05Å
314S66.4Low70.4Confident11 Ų1125.5 Ų25.58%0.07714%0.144CC..Hα-helixtrans-62.4-36179.8-56.80000111.7N171 I310 T311 I312 G318N171-S314 PolarHBondContact ND2-OG 2.94Å; I310-S314 WeakPolarHBondContact O-CB 3.41Å; I310-S314 PolarHBondContact O-N 3.13Å; I310-S314 PolarHBondContact O-OG 2.97Å; T311-S314 WeakPolarHBondContact O-CB 3.32Å; T311-S314 PolarHBondContact O-N 3.4Å; T311-S314 VanDerWaalsContact O-N 3.13Å; I312-S314 VanDerWaalsContact C-N 3.31Å; I312-S314 PolarHBondContact O-N 2.84Å; S314-G318 VanDerWaalsContact O-CA 3.31Å; S314-G318 WeakPolarHBondContact O-CA 3.2Å; S314-G318 PolarHBondContact O-N 3.28Å
315V67.6Low69.4Low68 Ų6825.1 Ų25.141%0.41214%0.142SC..Hα-helixtrans-68.4-44.4174.5176.70000111.3T311 I312 T313 G319T311-V315 WeakPolarHBondContact O-CG2 3.47Å; T311-V315 PolarHBondContact O-N 3.01Å; I312-V315 PolarHBondContact O-N 3.17Å; T313-V315 VanDerWaalsContact C-N 3.28Å; T313-V315 PolarHBondContact O-N 3.09Å; V315-G319 VanDerWaalsContact O-CA 3.28Å; V315-G319 WeakPolarHBondContact O-CA 3.25Å; V315-G319 PolarHBondContact O-N 3.49Å
316I70Confident68.4Low28 Ų2825.8 Ų25.814%0.14415%0.146CC..Hα-helixtrans-64.4-44.5178.3-67.9169.8000110.4V21 V22 T25 I312 T313 I320V21-I316 HydrophobicContact CG1-CD1 3.89Å; V22-I316 HydrophobicContact CG2-CD1 4.16Å; T25-I316 HydrophobicContact CG2-CG2 3.98Å; I312-I316 HydrophobicContact CG2-CD1 3.73Å; I312-I316 HydrophobicContact CG2-CG1 4.29Å; I312-I316 VanDerWaalsContact O-CG1 3.29Å; I312-I316 WeakPolarHBondContact O-CG1 3.47Å; I312-I316 PolarHBondContact O-N 3.33Å; T313-I316 PolarHBondContact O-N 3.12Å; I316-I320 HydrophobicContact CB-CD1 4.32Å; I316-I320 HydrophobicContact CG2-CD1 4.09Å; I316-I320 VanDerWaalsContact O-CB 3.24Å; I316-I320 WeakPolarHBondContact O-CB 3.43Å; I316-I320 WeakPolarHBondContact O-CD1 3.33Å; I316-I320 VanDerWaalsContact O-CG1 3.29Å; I316-I320 WeakPolarHBondContact O-CG1 3.27Å
317T63.9Low68.1Low17 Ų1728.2 Ų28.210%0.10416%0.156CC..Hα-helixtrans-86.3-35.9-17465.50000112.7S54 M57 T313 P321S54-T317 WeakPolarHBondContact OG-CB 3.45Å; S54-T317 WeakPolarHBondContact OG-CG2 3.15Å; S54-T317 PolarHBondContact OG-OG1 2.94Å; M57-T317 VanDerWaalsContact SD-O 3.32Å; T313-T317 HydrophobicContact CG2-CG2 4.29Å; T313-T317 WeakPolarHBondContact O-CG2 3.43Å; T313-T317 PolarHBondContact O-N 3.29Å; T313-T317 PolarHBondContact O-OG1 3.27Å; T313-T317 VanDerWaalsContact O-OG1 3.05Å; T317-P321 WeakPolarHBondContact O-CD 3.44Å; T317-P321 WeakPolarHBondContact O-CG 3.44Å
318G54.8Low68.3Low8 Ų827.5 Ų27.58%0.08216%0.156CC..Hα-helixtrans-96.7-15.2-178.100000115.2S314S314-G318 VanDerWaalsContact O-CA 3.31Å; S314-G318 WeakPolarHBondContact O-CA 3.2Å; S314-G318 PolarHBondContact O-N 3.28Å
319G52.7Low68.4Low17 Ų1727.9 Ų27.918%0.17516%0.16CC..Hα-helixtrans-101.5-24.618000000114.8V315 L323V315-G319 VanDerWaalsContact O-CA 3.28Å; V315-G319 WeakPolarHBondContact O-CA 3.25Å; V315-G319 PolarHBondContact O-N 3.49Å; G319-L323 WeakPolarHBondContact O-CD1 3.36Å; G319-L323 WeakPolarHBondContact O-CG 3.18Å
320I52.8Low68.4Low30 Ų3031.4 Ų31.415%0.15418%0.183CC..SBendtrans-90.3-42.7-171.8-59.4-176.4000113.6I316 D322 L323 V363 L366I316-I320 HydrophobicContact CB-CD1 4.32Å; I316-I320 HydrophobicContact CG2-CD1 4.09Å; I316-I320 VanDerWaalsContact O-CB 3.24Å; I316-I320 WeakPolarHBondContact O-CB 3.43Å; I316-I320 WeakPolarHBondContact O-CD1 3.33Å; I316-I320 VanDerWaalsContact O-CG1 3.29Å; I316-I320 WeakPolarHBondContact O-CG1 3.27Å; I320-D322 PolarHBondContact O-N 2.92Å; I320-L323 PolarHBondContact O-N 2.99Å; I320-V363 HydrophobicContact CD1-CB 4.37Å; I320-V363 HydrophobicContact CD1-CG2 3.44Å; I320-V363 VanDerWaalsContact CD1-CG2 3.44Å; I320-L366 HydrophobicContact CB-CD1 4.29Å; I320-L366 HydrophobicContact CG1-CD1 4.15Å; I320-L366 HydrophobicContact CG2-CD1 3.77Å
321P51.3Low68.9Low46 Ų4630.5 Ų30.530%0.29918%0.18SC..THydrogen-bonded Turntrans-63.1-28.4-175.5-2536.3000114.5T317 L323 Q360T317-P321 WeakPolarHBondContact O-CD 3.44Å; T317-P321 WeakPolarHBondContact O-CG 3.44Å; P321-L323 VanDerWaalsContact C-N 3.33Å; P321-Q360 PolarHBondContact O-NE2 3.43Å
322D49.6Very low69.6Low67 Ų6730 Ų3036%0.35818%0.179SC..THydrogen-bonded Turntrans-85.5-3-178.6-63.7-11000113.4I320 E380I320-D322 PolarHBondContact O-N 2.92Å; D322-E380 PolarHBondContact O-N 3.21Å; D322-E380 VanDerWaalsContact O-N 3.09Å
323L56.1Low70.1Confident27 Ų2729.9 Ų29.914%0.14118%0.178CC..EExtended strand (participates in β ladder)trans-92.3115.7178.1-72.3167.7000109.6G319 I320 P321 G361 L366 K379G319-L323 WeakPolarHBondContact O-CD1 3.36Å; G319-L323 WeakPolarHBondContact O-CG 3.18Å; I320-L323 PolarHBondContact O-N 2.99Å; P321-L323 VanDerWaalsContact C-N 3.33Å; L323-G361 WeakPolarHBondContact O-CA 3.48Å; L323-G361 PolarHBondContact O-N 3.13Å; L323-L366 HydrophobicContact CB-CD1 4.35Å; L323-L366 HydrophobicContact CB-CD2 3.72Å; L323-L366 HydrophobicContact CD1-CD1 3.68Å; L323-L366 HydrophobicContact CD1-CD2 4.05Å; L323-L366 HydrophobicContact CG-CD2 4.49Å; L323-K379 HydrophobicContact CD2-CG 3.65Å
324Y62.6Low70.9Confident38 Ų3829.7 Ų29.715%0.14918%0.177CC..EExtended strand (participates in β ladder)trans-99.3141.1169.4-72.2-105000109.8E359 Q360 T378 E380Y324-E359 CarbonylContact C-O 3.37Å; Y324-E359 WeakPolarHBondContact CA-O 3.28Å; Y324-Q360 HydrophobicContact CD1-CB 4.5Å; Y324-Q360 HydrophobicContact CE1-CB 4.24Å; Y324-T378 PolarHBondContact N-O 2.93Å; Y324-T378 PolarHBondContact O-N 3.3Å; Y324-E380 HydrophobicContact CD2-CB 4.26Å; Y324-E380 HydrophobicContact CE2-CB 4.18Å; Y324-E380 VanDerWaalsContact CE2-CD 3.42Å; Y324-E380 HydrophobicContact CE2-CG 4.42Å; Y324-E380 WeakPolarHBondContact CE2-OE2 3.39Å; Y324-E380 PolarHBondContact OH-OE2 3.02Å
325I64.9Low72Confident2 Ų229.7 Ų29.71%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-93.1118.5171.3-59.2163000106.5K327 E359 K365 L366 A369 Q375 L377I325-K327 HydrophobicContact CG2-CB 4.48Å; I325-E359 PolarHBondContact N-O 3.2Å; I325-E359 PolarHBondContact O-N 3.32Å; I325-K365 VanDerWaalsContact CD1-C 3.42Å; I325-K365 HydrophobicContact CD1-CB 3.29Å; I325-K365 VanDerWaalsContact CD1-O 3.32Å; I325-K365 WeakPolarHBondContact CD1-O 3.22Å; I325-L366 HydrophobicContact CD1-CD2 4.42Å; I325-L366 HydrophobicContact CG1-CD2 4.2Å; I325-A369 HydrophobicContact CD1-CB 4.1Å; I325-A369 HydrophobicContact CG1-CB 4.04Å; I325-A369 HydrophobicContact CG2-CB 3.98Å; I325-Q375 HydrophobicContact CG2-CB 4.03Å; I325-Q375 HydrophobicContact CG2-CG 4.25Å; I325-L377 HydrophobicContact CG1-CD2 4.02Å
326T71Confident73Confident14 Ų1432.5 Ų32.59%0.08618%0.184CC..EExtended strand (participates in β ladder)trans-91119.1168.2-56.90000108V356 N376 T378 Q563T326-V356 HydrophobicContact CG2-CB 4.22Å; T326-N376 PolarHBondContact N-O 2.81Å; T326-N376 PolarHBondContact O-N 2.74Å; T326-N376 VanDerWaalsContact O-N 3.13Å; T326-T378 PolarHBondContact OG1-OG1 3.42Å; T326-Q563 HydrophobicContact CG2-CG 4.29Å
327K81.9Confident73.9Confident53 Ų5331.5 Ų31.523%0.2318%0.179CC..EExtended strand (participates in β ladder)trans-131.4164.8-178.271.7-178.4-172.3-174.20111.7I325 G329 K357 E359 Q375I325-K327 HydrophobicContact CG2-CB 4.48Å; K327-G329 PolarHBondContact O-N 2.8Å; K327-K357 HydrophobicContact CG-CB 4.14Å; K327-K357 PolarHBondContact N-O 3Å; K327-K357 PolarHBondContact O-N 2.73Å; K327-E359 WeakPolarHBondContact CE-OE2 3.33Å; K327-E359 IonicContact NZ-OE2 3.44Å; K327-E359 PolarHBondContact NZ-OE2 3.33Å; K327-Q375 HydrophobicContact CB-CG 4.08Å
328P86.3Confident75.2Confident31 Ų3130.9 Ų30.920%0.20118%0.175CC..EExtended strand (participates in β ladder)trans-48.2125.2169.3-27.535.4000111.2Q563 Y566 A567P328-Q563 HydrophobicContact CG-CB 4.28Å; P328-Q563 HydrophobicContact CG-CG 4.48Å; P328-Y566 HydrophobicContact CB-CD1 4.33Å; P328-Y566 HydrophobicContact CG-CD1 3.58Å; P328-Y566 HydrophobicContact CG-CE1 4.36Å; P328-Y566 HydrophobicContact CG-CG 4.37Å; P328-A567 HydrophobicContact CB-CB 4.21Å
329G84.8Confident76.6Confident10 Ų1034 Ų3410%0.10320%0.196CC..EExtended strand (participates in β ladder)trans-86.2176.4174.300000111.7K327 T355K327-G329 PolarHBondContact O-N 2.8Å; G329-T355 VanDerWaalsContact CA-O 3.25Å; G329-T355 WeakPolarHBondContact CA-O 3.39Å; G329-T355 PolarHBondContact N-O 2.84Å
330P86.4Confident78.1Confident76 Ų7633.3 Ų33.349%0.49419%0.188SC..EExtended strand (participates in β ladder)trans-60.6153.617029.1-35.2000110.6T355 F515P330-T355 WeakPolarHBondContact CD-OG1 3.44Å; P330-T355 PolarHBondContact O-OG1 2.97Å; P330-F515 HydrophobicContact CB-CE1 3.93Å; P330-F515 HydrophobicContact CB-CZ 3.88Å; P330-F515 HydrophobicContact CG-CE1 3.86Å; P330-F515 HydrophobicContact CG-CZ 4.05Å; P330-F515 WeakPolarHBondContact O-CE1 3.38Å
331V91.2Very high79.1Confident39 Ų3933.3 Ų33.324%0.23619%0.193CC..EExtended strand (participates in β ladder)trans-105.8140.4172-176.10000107.8L352 V353 T354 A567V331-L352 HydrophobicContact CG1-CB 3.65Å; V331-L352 HydrophobicContact CG1-CD1 4.04Å; V331-L352 HydrophobicContact CG1-CD2 3.93Å; V331-L352 HydrophobicContact CG1-CG 4.08Å; V331-V353 WeakPolarHBondContact CA-O 3.35Å; V331-T354 HydrophobicContact CG2-CG2 4.34Å; V331-A567 HydrophobicContact CG2-CB 3.8Å
332A91.2Very high79.8Confident13 Ų1339.2 Ų39.211%0.10722%0.222CC..EExtended strand (participates in β ladder)trans-124.2151.5173.200000110M337 L352 V353 F515A332-M337 HydrophobicContact CB-SD 3.83Å; A332-L352 CarbonylContact O-C 3.56Å; A332-L352 WeakPolarHBondContact O-CA 3.25Å; A332-V353 PolarHBondContact N-O 3.44Å; A332-V353 VanDerWaalsContact N-O 3.15Å; A332-V353 PolarHBondContact O-N 3.42Å; A332-F515 HydrophobicContact CB-CD1 3.73Å; A332-F515 HydrophobicContact CB-CD2 3.87Å; A332-F515 HydrophobicContact CB-CE1 3.38Å; A332-F515 HydrophobicContact CB-CE2 3.54Å; A332-F515 HydrophobicContact CB-CG 4Å; A332-F515 HydrophobicContact CB-CZ 3.3Å
333D92.3Very high80.6Confident28 Ų2840 Ų4015%0.1522%0.224CC..EExtended strand (participates in β ladder)trans-85.2122.5167.1175.427.4000110.7M335 E336 M337 I351D333-M335 PolarHBondContact O-N 3.23Å; D333-M335 WeakPolarHBondContact OD1-CB 3.35Å; D333-M335 PolarHBondContact OD1-N 2.98Å; D333-M335 WeakPolarHBondContact OD2-CB 3.34Å; D333-E336 HydrophobicContact CB-CG 4.45Å; D333-E336 PolarHBondContact O-N 3.35Å; D333-E336 PolarHBondContact OD2-N 3.3Å; D333-M337 VanDerWaalsContact O-CG 3.3Å; D333-M337 WeakPolarHBondContact O-CG 3.38Å; D333-M337 PolarHBondContact O-N 2.76Å; D333-I351 CarbonylContact C-O 3.56Å; D333-I351 WeakPolarHBondContact CA-O 3.45Å; D333-I351 PolarHBondContact OD1-N 3.48Å
334A92.2Very high80.6Confident0 Ų045.1 Ų45.10%026%0.256CS..Hα-helixtrans-67.7-25.1177.100000112.1M337 V338 I351 V353 L524 S527A334-M337 PolarHBondContact O-N 3.2Å; A334-V338 WeakPolarHBondContact O-CG2 3.45Å; A334-V338 PolarHBondContact O-N 3.38Å; A334-V338 VanDerWaalsContact O-N 3.07Å; A334-I351 HydrophobicContact CB-CB 4.01Å; A334-I351 HydrophobicContact CB-CG2 3.86Å; A334-I351 WeakPolarHBondContact CB-O 3.24Å; A334-I351 PolarHBondContact N-O 2.9Å; A334-V353 HydrophobicContact CB-CG2 3.86Å; A334-L524 HydrophobicContact CB-CD2 4.24Å; A334-S527 PolarHBondContact O-OG 3.23Å
335M89Confident80.3Confident11 Ų1145.6 Ų45.65%0.05427%0.265CS..Hα-helixtrans-67.8-39.3176-66.7-65-75.100110.6D333 M337 S345 I351 S527 Q530 Q531D333-M335 PolarHBondContact O-N 3.23Å; D333-M335 WeakPolarHBondContact OD1-CB 3.35Å; D333-M335 PolarHBondContact OD1-N 2.98Å; D333-M335 WeakPolarHBondContact OD2-CB 3.34Å; M335-M337 VanDerWaalsContact C-N 3.33Å; M335-M337 PolarHBondContact O-N 3.07Å; M335-S345 WeakPolarHBondContact CB-OG 3.42Å; M335-S345 PolarHBondContact O-OG 2.94Å; M335-I351 HydrophobicContact CG-CB 4.35Å; M335-I351 HydrophobicContact CG-CD1 3.87Å; M335-I351 HydrophobicContact CG-CG1 3.98Å; M335-I351 HydrophobicContact SD-CD1 3.74Å; M335-I351 HydrophobicContact SD-CG1 4.5Å; M335-S527 PolarHBondContact SD-OG 3.38Å; M335-S527 VanDerWaalsContact SD-OG 3.38Å; M335-Q530 HydrophobicContact CE-CG 4.08Å; M335-Q530 HydrophobicContact SD-CG 4.48Å; M335-Q531 HydrophobicContact CE-CG 3.88Å; M335-Q531 HydrophobicContact SD-CG 4.27Å
336E89Confident79.7Confident127 Ų12755.3 Ų55.359%0.59331%0.307SS*.Hα-helixtrans-69.5-24.9169-72.8-161.3178.900115D333 K513D333-E336 HydrophobicContact CB-CG 4.45Å; D333-E336 PolarHBondContact O-N 3.35Å; D333-E336 PolarHBondContact OD2-N 3.3Å; E336-K513 IonicContact OE2-NZ 3.77Å; E336-K513 PolarHBondContact OE2-NZ 2.95Å; E336-K513 VanDerWaalsContact OE2-NZ 3.14Å
337M88.8Confident79.4Confident7 Ų756.6 Ų56.63%0.03432%0.317CS..Hα-helixtrans-78.6-30.4-179.4-69169.576.600112.2A332 D333 A334 M335 V353 I510 N511 S512 F515 L524A332-M337 HydrophobicContact CB-SD 3.83Å; D333-M337 VanDerWaalsContact O-CG 3.3Å; D333-M337 WeakPolarHBondContact O-CG 3.38Å; D333-M337 PolarHBondContact O-N 2.76Å; A334-M337 PolarHBondContact O-N 3.2Å; M335-M337 VanDerWaalsContact C-N 3.33Å; M335-M337 PolarHBondContact O-N 3.07Å; M337-V353 HydrophobicContact SD-CG2 4.22Å; M337-I510 CarbonylContact O-C 3.59Å; M337-I510 VanDerWaalsContact O-CA 3.31Å; M337-I510 WeakPolarHBondContact O-CA 3.37Å; M337-N511 WeakPolarHBondContact CA-O 3.21Å; M337-N511 WeakPolarHBondContact CB-O 3.06Å; M337-N511 PolarHBondContact O-N 2.78Å; M337-S512 VanDerWaalsContact CE-CB 3.5Å; M337-F515 HydrophobicContact CE-CB 4.25Å; M337-L524 HydrophobicContact CB-CD2 4.42Å; M337-L524 HydrophobicContact CE-CD2 4.17Å; M337-L524 HydrophobicContact SD-CD2 4.4Å
338V89.8Confident79Confident4 Ų461.9 Ų61.92%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-103.1125-176.1177.90000108.9A334 V340 I508 I510 L524 S527 V528 Q531A334-V338 WeakPolarHBondContact O-CG2 3.45Å; A334-V338 PolarHBondContact O-N 3.38Å; A334-V338 VanDerWaalsContact O-N 3.07Å; V338-V340 HydrophobicContact CG1-CG2 4.22Å; V338-I508 HydrophobicContact CG1-CG2 4.28Å; V338-I510 HydrophobicContact CG1-CG1 4.5Å; V338-I510 HydrophobicContact CG2-CD1 4.18Å; V338-I510 HydrophobicContact CG2-CG1 4.03Å; V338-I510 HydrophobicContact CG2-CG2 4.14Å; V338-L524 HydrophobicContact CG2-CD2 4.12Å; V338-S527 WeakPolarHBondContact CB-OG 3.31Å; V338-S527 WeakPolarHBondContact CG2-OG 3.38Å; V338-V528 HydrophobicContact CG1-CG2 3.7Å; V338-V528 HydrophobicContact CG2-CG2 4.05Å; V338-Q531 PolarHBondContact O-NE2 2.79Å; V338-Q531 PolarHBondContact O-OE1 2.67Å
339S85.8Confident79Confident74 Ų7460.6 Ų60.652%0.51734%0.339SS..EExtended strand (participates in β ladder)trans-118114.8171.2-1780000108.5I508 S509S339-I508 WeakPolarHBondContact O-CA 3.28Å; S339-S509 PolarHBondContact N-O 2.84Å; S339-S509 PolarHBondContact O-N 3.2Å
340V83.6Confident79.3Confident2 Ų264.1 Ų64.11%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-96.3136.7165.9-175.40000108V338 H343 E506 I508 Q531 I532V338-V340 HydrophobicContact CG1-CG2 4.22Å; V340-H343 HydrophobicContact CB-CB 4.38Å; V340-H343 PolarHBondContact O-N 3.11Å; V340-E506 WeakPolarHBondContact CG1-OE2 3.44Å; V340-I508 HydrophobicContact CG1-CG1 4.3Å; V340-I508 HydrophobicContact CG2-CD1 4.4Å; V340-I508 HydrophobicContact CG2-CG1 4.11Å; V340-I508 HydrophobicContact CG2-CG2 4.33Å; V340-Q531 HydrophobicContact CB-CB 4.22Å; V340-Q531 HydrophobicContact CG2-CB 3.58Å; V340-Q531 HydrophobicContact CG2-CG 4.47Å; V340-I532 HydrophobicContact CG1-CG2 4.35Å; V340-I532 HydrophobicContact CG2-CG2 4.14Å
341A74.8Confident79.7Confident31 Ų3160.5 Ų60.526%0.25633%0.33SS..THydrogen-bonded Turntrans-55.8144.6175.800000111.1H343 S507A341-H343 PolarHBondContact O-N 3.13Å; A341-H343 PolarHBondContact O-ND1 3.02Å; A341-S507 WeakPolarHBondContact CB-OG 3.29Å; A341-S507 PolarHBondContact N-O 3.44Å
342D65.9Low79.9Confident170 Ų17059 Ų5991%0.90932%0.32SS*.THydrogen-bonded Turntrans63.24.5176.9-54.2-40.7000117.2
343H65.4Low80Confident84 Ų8458.6 Ų58.639%0.38932%0.316SS..  trans-111.8127.5177.3-6477.9000110.7V340 A341 Q531V340-H343 HydrophobicContact CB-CB 4.38Å; V340-H343 PolarHBondContact O-N 3.11Å; A341-H343 PolarHBondContact O-N 3.13Å; A341-H343 PolarHBondContact O-ND1 3.02Å; H343-Q531 PolarHBondContact CD2-O 3.43Å; H343-Q531 PolarHBondContact NE2-O 2.85Å
344T56.3Low79.9Confident133 Ų13357.3 Ų57.382%0.81631%0.309SS*.  trans-93.5121.9174.751.40000111.2K346T344-K346 PolarHBondContact O-N 2.99Å
345S55.3Low79.6Confident48 Ų4858.2 Ų58.234%0.33632%0.315SS..  trans-67.86.7-178.6179.30000116.3M335 S347M335-S345 WeakPolarHBondContact CB-OG 3.42Å; M335-S345 PolarHBondContact O-OG 2.94Å; S345-S347 PolarHBondContact O-N 3.43Å
346K53.3Low79.3Confident206 Ų20660 Ų6090%0.89633%0.326SS*.  trans-77.787.1-175.3-79.3-170.4175.4-175.10111.1T344T344-K346 PolarHBondContact O-N 2.99Å
347S63.5Low78.8Confident42 Ų4259 Ų5929%0.29432%0.32SS..  trans-107.4154.2156.6-177.60000108.4S345 S349 D536S345-S347 PolarHBondContact O-N 3.43Å; S347-S349 PolarHBondContact O-N 3.39Å; S347-S349 WeakPolarHBondContact OG-CB 3.07Å; S347-S349 PolarHBondContact OG-N 3.19Å; S347-S349 VanDerWaalsContact OG-N 3.14Å; S347-S349 PolarHBondContact OG-OG 3.05Å; S347-S349 VanDerWaalsContact OG-OG 3.12Å; S347-D536 PolarHBondContact OG-OD2 2.68Å
348D74.4Confident78Confident164 Ų16466.1 Ų66.188%0.87735%0.346SS*.SBendtrans-71.4-4.4166.3-70.5-29.1000111.6
349S85.4Confident76.9Confident4 Ų468.2 Ų68.23%0.02836%0.356CS..  trans-97.3148.7-179.4-45.10000112.1S347 L538 G540 R541S347-S349 PolarHBondContact O-N 3.39Å; S347-S349 WeakPolarHBondContact OG-CB 3.07Å; S347-S349 PolarHBondContact OG-N 3.19Å; S347-S349 VanDerWaalsContact OG-N 3.14Å; S347-S349 PolarHBondContact OG-OG 3.05Å; S347-S349 VanDerWaalsContact OG-OG 3.12Å; S349-L538 VanDerWaalsContact CB-CD1 3.47Å; S349-L538 WeakPolarHBondContact OG-CB 3.49Å; S349-G540 WeakPolarHBondContact OG-CA 3.21Å; S349-G540 PolarHBondContact OG-N 3.1Å; S349-R541 WeakPolarHBondContact CB-O 3.48Å
350E92Very high75.6Confident84 Ų8467.9 Ų67.939%0.39335%0.346SS..EExtended strand (participates in β ladder)trans-126.4142.6-177.5-61.9178.7150.800111.5L352 T542 V543E350-L352 HydrophobicContact CB-CD2 3.97Å; E350-L352 HydrophobicContact CB-CG 4.43Å; E350-T542 HydrophobicContact CB-CG2 4.21Å; E350-V543 PolarHBondContact O-N 2.84Å
351I94.6Very high74.4Confident0 Ų068 Ų680%035%0.347CS..EExtended strand (participates in β ladder)trans-109.297.2172.2-58.6175.1000108.8D333 A334 M335 V353 M523 L526 L538 V543D333-I351 CarbonylContact C-O 3.56Å; D333-I351 WeakPolarHBondContact CA-O 3.45Å; D333-I351 PolarHBondContact OD1-N 3.48Å; A334-I351 HydrophobicContact CB-CB 4.01Å; A334-I351 HydrophobicContact CB-CG2 3.86Å; A334-I351 WeakPolarHBondContact CB-O 3.24Å; A334-I351 PolarHBondContact N-O 2.9Å; M335-I351 HydrophobicContact CG-CB 4.35Å; M335-I351 HydrophobicContact CG-CD1 3.87Å; M335-I351 HydrophobicContact CG-CG1 3.98Å; M335-I351 HydrophobicContact SD-CD1 3.74Å; M335-I351 HydrophobicContact SD-CG1 4.5Å; I351-V353 PolarHBondContact O-N 2.91Å; I351-M523 HydrophobicContact CG2-CB 3.93Å; I351-M523 HydrophobicContact CG2-CG 4.46Å; I351-M523 HydrophobicContact CG2-SD 4.07Å; I351-L526 HydrophobicContact CD1-CB 4.42Å; I351-L526 HydrophobicContact CD1-CD2 4.06Å; I351-L526 HydrophobicContact CD1-CG 3.87Å; I351-L526 HydrophobicContact CG1-CD2 4.4Å; I351-L526 HydrophobicContact CG2-CD2 4.29Å; I351-L538 HydrophobicContact CD1-CD1 4.11Å; I351-L538 HydrophobicContact CG1-CD1 3.56Å; I351-L538 HydrophobicContact CG1-CD2 4.26Å; I351-L538 HydrophobicContact CG1-CG 4.49Å; I351-V543 CarbonylContact C-O 3.54Å; I351-V543 WeakPolarHBondContact CA-O 3.43Å
352L95Very high73.5Confident8 Ų868.7 Ų68.74%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-82.6117.7-173.3-59-173000113.3V331 A332 E350 T542 V543 A544 G545 A573V331-L352 HydrophobicContact CG1-CB 3.65Å; V331-L352 HydrophobicContact CG1-CD1 4.04Å; V331-L352 HydrophobicContact CG1-CD2 3.93Å; V331-L352 HydrophobicContact CG1-CG 4.08Å; A332-L352 CarbonylContact O-C 3.56Å; A332-L352 WeakPolarHBondContact O-CA 3.25Å; E350-L352 HydrophobicContact CB-CD2 3.97Å; E350-L352 HydrophobicContact CB-CG 4.43Å; L352-T542 HydrophobicContact CD1-CG2 3.33Å; L352-T542 HydrophobicContact CD2-CG2 4.46Å; L352-T542 HydrophobicContact CG-CG2 3.7Å; L352-V543 PolarHBondContact N-O 3.48Å; L352-A544 HydrophobicContact CB-CB 3.88Å; L352-A544 WeakPolarHBondContact O-CA 3.23Å; L352-G545 PolarHBondContact O-N 3.05Å; L352-A573 HydrophobicContact CD1-CB 4.33Å
353V93.1Very high72.7Confident3 Ų362.5 Ų62.52%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-87.5115.9167.8-179.60000109.5V331 A332 A334 M337 I351 A520 M523V331-V353 WeakPolarHBondContact CA-O 3.35Å; A332-V353 PolarHBondContact N-O 3.44Å; A332-V353 VanDerWaalsContact N-O 3.15Å; A332-V353 PolarHBondContact O-N 3.42Å; A334-V353 HydrophobicContact CB-CG2 3.86Å; M337-V353 HydrophobicContact SD-CG2 4.22Å; I351-V353 PolarHBondContact O-N 2.91Å; V353-A520 HydrophobicContact CG1-CB 3.48Å; V353-A520 VanDerWaalsContact CG1-CB 3.48Å; V353-A520 HydrophobicContact CG2-CB 4.42Å; V353-M523 HydrophobicContact CG2-CB 3.96Å
354T91.4Very high72.1Confident1 Ų165.6 Ų65.61%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-94.4137.9177.957.80000112.3V331 G545 K564 A567 A568 F576V331-T354 HydrophobicContact CG2-CG2 4.34Å; T354-G545 PolarHBondContact OG1-O 2.8Å; T354-K564 WeakPolarHBondContact OG1-CB 3.39Å; T354-K564 WeakPolarHBondContact OG1-CG 3.42Å; T354-A567 HydrophobicContact CG2-CB 4.37Å; T354-A568 HydrophobicContact CG2-CB 4.01Å; T354-F576 HydrophobicContact CG2-CE2 4.14Å
355T86Confident72.2Confident19 Ų1961.7 Ų61.712%0.11730%0.301CS..EExtended strand (participates in β ladder)trans-125.1167.1178.467.90000112.1G329 P330 F515G329-T355 VanDerWaalsContact CA-O 3.25Å; G329-T355 WeakPolarHBondContact CA-O 3.39Å; G329-T355 PolarHBondContact N-O 2.84Å; P330-T355 WeakPolarHBondContact CD-OG1 3.44Å; P330-T355 PolarHBondContact O-OG1 2.97Å; T355-F515 HydrophobicContact CG2-CD1 3.65Å; T355-F515 HydrophobicContact CG2-CE1 4.33Å
356V82.4Confident72.2Confident49 Ų4960.1 Ų60.130%0.29729%0.289SS..EExtended strand (participates in β ladder)trans-113.2138.3169.5-63.50000109.5T326 Q563 K564T326-V356 HydrophobicContact CG2-CB 4.22Å; V356-Q563 HydrophobicContact CG1-CB 3.73Å; V356-Q563 HydrophobicContact CG1-CG 4.46Å; V356-K564 HydrophobicContact CG1-CG 4.12Å
357K78.8Confident72.4Confident106 Ų10654.7 Ų54.746%0.46127%0.269SS..EExtended strand (participates in β ladder)trans-102122.3171.8-175.1167.3178.8172.20108.4K327K327-K357 HydrophobicContact CG-CB 4.14Å; K327-K357 PolarHBondContact N-O 3Å; K327-K357 PolarHBondContact O-N 2.73Å
358R71.2Confident72Confident156 Ų15660 Ų6059%0.58928%0.282SS*.EExtended strand (participates in β ladder)trans-91.1128.1165.7-66.9-174.7-176.3172.82.5108.4
359E66.6Low71.2Confident49 Ų4952.3 Ų52.323%0.22924%0.242CC..EExtended strand (participates in β ladder)trans-129.2139.3178-174.9173.6-169.800109.4Y324 I325 K327 G361 K365Y324-E359 CarbonylContact C-O 3.37Å; Y324-E359 WeakPolarHBondContact CA-O 3.28Å; I325-E359 PolarHBondContact N-O 3.2Å; I325-E359 PolarHBondContact O-N 3.32Å; K327-E359 WeakPolarHBondContact CE-OE2 3.33Å; K327-E359 IonicContact NZ-OE2 3.44Å; K327-E359 PolarHBondContact NZ-OE2 3.33Å; E359-G361 PolarHBondContact O-N 3.15Å; E359-K365 WeakPolarHBondContact OE1-CE 3.41Å; E359-K365 IonicContact OE1-NZ 3.3Å; E359-K365 PolarHBondContact OE1-NZ 2.79Å
360Q58.6Low70.1Confident67 Ų6758.3 Ų58.331%0.31327%0.273SS..EExtended strand (participates in β ladder)trans-63129175.5-166.3179.613.700110.1P321 Y324 T362P321-Q360 PolarHBondContact O-NE2 3.43Å; Y324-Q360 HydrophobicContact CD1-CB 4.5Å; Y324-Q360 HydrophobicContact CE1-CB 4.24Å; Q360-T362 PolarHBondContact O-N 2.81Å
361G58Low68.9Low3 Ų360.9 Ų60.93%0.03129%0.288CS..  trans-68.4125.4175.100000110.7L323 E359L323-G361 WeakPolarHBondContact O-CA 3.48Å; L323-G361 PolarHBondContact O-N 3.13Å; E359-G361 PolarHBondContact O-N 3.15Å
362T55.9Low67.6Low47 Ų4763.2 Ų63.229%0.28830%0.299SS..  trans-104.4160.4157.9530000108.4Q360 F364 K365 L366Q360-T362 PolarHBondContact O-N 2.81Å; T362-F364 PolarHBondContact O-N 2.91Å; T362-K365 WeakPolarHBondContact O-CA 3.23Å; T362-K365 PolarHBondContact O-N 2.89Å; T362-K365 WeakPolarHBondContact OG1-CD 3.33Å; T362-K365 WeakPolarHBondContact OG1-CG 3.09Å; T362-L366 WeakPolarHBondContact O-CG 3.16Å; T362-L366 PolarHBondContact O-N 3.46Å
363V49.7Very low66.1Low39 Ų3967.3 Ų67.324%0.23633%0.326CS..Hα-helixtrans-40.9-51-178.9-179.30000111.9I320 L366 I367I320-V363 HydrophobicContact CD1-CB 4.37Å; I320-V363 HydrophobicContact CD1-CG2 3.44Å; I320-V363 VanDerWaalsContact CD1-CG2 3.44Å; V363-L366 PolarHBondContact O-N 3.23Å; V363-I367 HydrophobicContact CG1-CD1 4.21Å; V363-I367 WeakPolarHBondContact O-CG1 3.24Å; V363-I367 PolarHBondContact O-N 3.49Å; V363-I367 VanDerWaalsContact O-N 3.12Å
364F52.5Low64.9Low150 Ų15068.2 Ų68.266%0.65833%0.329SS*.Hα-helixtrans-67.8-41.4-179.6-176.1-99.8000113.6T362 L366 I367 R368T362-F364 PolarHBondContact O-N 2.91Å; F364-L366 VanDerWaalsContact C-N 3.31Å; F364-L366 PolarHBondContact O-N 3.37Å; F364-I367 PolarHBondContact O-N 2.76Å; F364-R368 PolarHBondContact O-N 2.9Å
365K57.9Low63.6Low50 Ų5069.3 Ų69.322%0.21733%0.334CS..Hα-helixtrans-67.4-34177.7-62.3177.2-171.1174.30111.4I325 E359 T362 R368 A369I325-K365 VanDerWaalsContact CD1-C 3.42Å; I325-K365 HydrophobicContact CD1-CB 3.29Å; I325-K365 VanDerWaalsContact CD1-O 3.32Å; I325-K365 WeakPolarHBondContact CD1-O 3.22Å; E359-K365 WeakPolarHBondContact OE1-CE 3.41Å; E359-K365 IonicContact OE1-NZ 3.3Å; E359-K365 PolarHBondContact OE1-NZ 2.79Å; T362-K365 WeakPolarHBondContact O-CA 3.23Å; T362-K365 PolarHBondContact O-N 2.89Å; T362-K365 WeakPolarHBondContact OG1-CD 3.33Å; T362-K365 WeakPolarHBondContact OG1-CG 3.09Å; K365-R368 PolarHBondContact O-N 2.79Å; K365-A369 VanDerWaalsContact O-CB 3.24Å; K365-A369 WeakPolarHBondContact O-CB 3.45Å; K365-A369 PolarHBondContact O-N 2.91Å
366L56.2Low62.5Low16 Ų1672.3 Ų72.38%0.08435%0.349CS..Hα-helixtrans-64.5-46173.8-65.8177.9000111.3I320 L323 I325 T362 V363 F364 R368 A369 L370 L377I320-L366 HydrophobicContact CB-CD1 4.29Å; I320-L366 HydrophobicContact CG1-CD1 4.15Å; I320-L366 HydrophobicContact CG2-CD1 3.77Å; L323-L366 HydrophobicContact CB-CD1 4.35Å; L323-L366 HydrophobicContact CB-CD2 3.72Å; L323-L366 HydrophobicContact CD1-CD1 3.68Å; L323-L366 HydrophobicContact CD1-CD2 4.05Å; L323-L366 HydrophobicContact CG-CD2 4.49Å; I325-L366 HydrophobicContact CD1-CD2 4.42Å; I325-L366 HydrophobicContact CG1-CD2 4.2Å; T362-L366 WeakPolarHBondContact O-CG 3.16Å; T362-L366 PolarHBondContact O-N 3.46Å; V363-L366 PolarHBondContact O-N 3.23Å; F364-L366 VanDerWaalsContact C-N 3.31Å; F364-L366 PolarHBondContact O-N 3.37Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 2.85Å; L366-A369 PolarHBondContact O-N 3.07Å; L366-L370 WeakPolarHBondContact O-CG 3.4Å; L366-L370 PolarHBondContact O-N 3.44Å; L366-L377 HydrophobicContact CD2-CD1 4.46Å; L366-L377 HydrophobicContact CD2-CD2 3.37Å
367I56.3Low60.9Low91 Ų9173.1 Ų73.147%0.46735%0.352SS..Hα-helixtrans-59.9-44.6175.4-66.5166.3000110.5V363 F364 A369 L370 I371V363-I367 HydrophobicContact CG1-CD1 4.21Å; V363-I367 WeakPolarHBondContact O-CG1 3.24Å; V363-I367 PolarHBondContact O-N 3.49Å; V363-I367 VanDerWaalsContact O-N 3.12Å; F364-I367 PolarHBondContact O-N 2.76Å; I367-A369 VanDerWaalsContact C-N 3.35Å; I367-A369 PolarHBondContact O-N 3.07Å; I367-L370 PolarHBondContact O-N 2.8Å; I367-I371 HydrophobicContact CG2-CD1 4.33Å; I367-I371 WeakPolarHBondContact O-CG1 3.35Å
368R55.6Low59.7Low153 Ų15371.2 Ų71.258%0.57735%0.349SS*.Hα-helixtrans-62.5-41.3175.2-175.4179.9178.6178.30.4112.1F364 K365 L366 L370 I371 H372F364-R368 PolarHBondContact O-N 2.9Å; K365-R368 PolarHBondContact O-N 2.79Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 2.85Å; R368-L370 VanDerWaalsContact C-N 3.33Å; R368-L370 PolarHBondContact O-N 2.8Å; R368-I371 PolarHBondContact O-N 3.28Å; R368-H372 WeakPolarHBondContact O-CB 3.46Å; R368-H372 PolarHBondContact O-N 3.19Å
369A57.7Low58.3Low3 Ų371.6 Ų71.63%0.02536%0.355CS..Hα-helixtrans-63.8-37.7178.700000112I325 K365 L366 I367 I371 H372 Q375 L377I325-A369 HydrophobicContact CD1-CB 4.1Å; I325-A369 HydrophobicContact CG1-CB 4.04Å; I325-A369 HydrophobicContact CG2-CB 3.98Å; K365-A369 VanDerWaalsContact O-CB 3.24Å; K365-A369 WeakPolarHBondContact O-CB 3.45Å; K365-A369 PolarHBondContact O-N 2.91Å; L366-A369 PolarHBondContact O-N 3.07Å; I367-A369 VanDerWaalsContact C-N 3.35Å; I367-A369 PolarHBondContact O-N 3.07Å; A369-I371 PolarHBondContact O-N 3.1Å; A369-H372 PolarHBondContact O-N 3.14Å; A369-Q375 VanDerWaalsContact CA-OE1 3.31Å; A369-Q375 HydrophobicContact CB-CB 3.82Å; A369-L377 HydrophobicContact CB-CD2 3.84Å
370L62.1Low57.6Low131 Ų13171.9 Ų71.969%0.68636%0.357SS*.Hα-helixtrans-63.1-21.7175.9-72170.5000113.9L366 I367 R368 L377L366-L370 WeakPolarHBondContact O-CG 3.4Å; L366-L370 PolarHBondContact O-N 3.44Å; I367-L370 PolarHBondContact O-N 2.8Å; R368-L370 VanDerWaalsContact C-N 3.33Å; R368-L370 PolarHBondContact O-N 2.8Å; L370-L377 HydrophobicContact CD2-CD1 3.78Å; L370-L377 HydrophobicContact CG-CD1 4.21Å
371I68Low56.5Low137 Ų13773 Ų7370%0.70337%0.372SS*.Hα-helixtrans-103-19.3-177.7-54.7166000111.3I367 R368 A369I367-I371 HydrophobicContact CG2-CD1 4.33Å; I367-I371 WeakPolarHBondContact O-CG1 3.35Å; R368-I371 PolarHBondContact O-N 3.28Å; A369-I371 PolarHBondContact O-N 3.1Å
372H66Low55.7Low49 Ų4979.9 Ų79.923%0.22740%0.403CS..SBendtrans-91125.3-175.7-169.5-70.3000111.3R368 A369 Y374 Q375R368-H372 WeakPolarHBondContact O-CB 3.46Å; R368-H372 PolarHBondContact O-N 3.19Å; A369-H372 PolarHBondContact O-N 3.14Å; H372-Y374 VanDerWaalsContact C-N 3.27Å; H372-Y374 PolarHBondContact ND1-N 2.96Å; H372-Y374 PolarHBondContact O-N 2.87Å; H372-Q375 HydrophobicContact CB-CB 4.15Å; H372-Q375 HydrophobicContact CB-CG 3.93Å; H372-Q375 PolarHBondContact CD2-NE2 2.91Å; H372-Q375 VanDerWaalsContact CG-NE2 3.29Å; H372-Q375 PolarHBondContact O-N 3.16Å
373P65.1Low54.7Low95 Ų9583.9 Ų83.962%0.61742%0.423SS*.THydrogen-bonded Turntrans-60.4-28.7-167.319.6-31.7000115.1
374Y67.4Low54.3Low21 Ų2185.7 Ų85.78%0.08243%0.426CS..THydrogen-bonded Turntrans-114.923.1-177.9-57.6-72.3000115.1H372 P562 Q563 Y566 V598 D601 I602H372-Y374 VanDerWaalsContact C-N 3.27Å; H372-Y374 PolarHBondContact ND1-N 2.96Å; H372-Y374 PolarHBondContact O-N 2.87Å; Y374-P562 HydrophobicContact CD1-CB 4.02Å; Y374-Q563 PolarHBondContact O-NE2 3.23Å; Y374-Y566 HydrophobicContact CD2-CD1 4.4Å; Y374-Y566 AromaticContact CD2-CD2 3.1Å; Y374-Y566 HydrophobicContact CD2-CD2 3.1Å; Y374-Y566 AromaticContact CD2-CE2 3.46Å; Y374-Y566 HydrophobicContact CD2-CE2 3.46Å; Y374-Y566 VanDerWaalsContact CD2-CE2 3.46Å; Y374-Y566 AromaticContact CD2-CG 3.63Å; Y374-Y566 HydrophobicContact CD2-CG 3.63Å; Y374-Y566 AromaticContact CE2-CD2 3.4Å; Y374-Y566 HydrophobicContact CE2-CD2 3.4Å; Y374-Y566 AromaticContact CE2-CE2 3.71Å; Y374-Y566 HydrophobicContact CE2-CE2 3.71Å; Y374-Y566 HydrophobicContact CE2-CG 4.3Å; Y374-Y566 AromaticContact CG-CD2 3.9Å; Y374-Y566 HydrophobicContact CG-CD2 3.9Å; Y374-Y566 AromaticContact CG-CG 3.99Å; Y374-Y566 HydrophobicContact CG-CG 3.99Å; Y374-V598 HydrophobicContact CD1-CG1 4.24Å; Y374-V598 HydrophobicContact CE1-CB 4.43Å; Y374-V598 HydrophobicContact CE1-CG1 3.6Å; Y374-V598 HydrophobicContact CE1-CG2 4.25Å; Y374-D601 WeakPolarHBondContact OH-CB 3.46Å; Y374-I602 HydrophobicContact CE1-CG2 4.46Å; Y374-I602 HydrophobicContact CE2-CG2 3.36Å; Y374-I602 WeakPolarHBondContact OH-CG2 3.23Å
375Q63.6Low53.5Low25 Ų2581.7 Ų81.712%0.11741%0.409CS..  trans-106.6115171.3-69-178.932.100109.7I325 K327 A369 H372I325-Q375 HydrophobicContact CG2-CB 4.03Å; I325-Q375 HydrophobicContact CG2-CG 4.25Å; K327-Q375 HydrophobicContact CB-CG 4.08Å; A369-Q375 VanDerWaalsContact CA-OE1 3.31Å; A369-Q375 HydrophobicContact CB-CB 3.82Å; H372-Q375 HydrophobicContact CB-CB 4.15Å; H372-Q375 HydrophobicContact CB-CG 3.93Å; H372-Q375 PolarHBondContact CD2-NE2 2.91Å; H372-Q375 VanDerWaalsContact CG-NE2 3.29Å; H372-Q375 PolarHBondContact O-N 3.16Å
376N62.4Low52.8Low81 Ų8183.7 Ų83.743%0.43344%0.435SS..EExtended strand (participates in β ladder)trans-102.9140.5178.7-70.5-17.9000110.7T326 Q563T326-N376 PolarHBondContact N-O 2.81Å; T326-N376 PolarHBondContact O-N 2.74Å; T326-N376 VanDerWaalsContact O-N 3.13Å; N376-Q563 PolarHBondContact ND2-NE2 2.7Å
377L49.7Very low52.1Low66 Ų6686.6 Ų86.635%0.34645%0.453SS..EExtended strand (participates in β ladder)trans-85.8113.1170.2-60.3-175.7000108.8I325 L366 A369 L370I325-L377 HydrophobicContact CG1-CD2 4.02Å; L366-L377 HydrophobicContact CD2-CD1 4.46Å; L366-L377 HydrophobicContact CD2-CD2 3.37Å; A369-L377 HydrophobicContact CB-CD2 3.84Å; L370-L377 HydrophobicContact CD2-CD1 3.78Å; L370-L377 HydrophobicContact CG-CD1 4.21Å
378T52.1Low51.3Low67 Ų6784.3 Ų84.341%0.41144%0.44SS..EExtended strand (participates in β ladder)trans-109125174.1-47.70000108.4Y324 T326Y324-T378 PolarHBondContact N-O 2.93Å; Y324-T378 PolarHBondContact O-N 3.3Å; T326-T378 PolarHBondContact OG1-OG1 3.42Å
379K43.4Very low50.7Low164 Ų16484.1 Ų84.171%0.71345%0.446SS*.EExtended strand (participates in β ladder)trans-76.9131.8169.9-75.1-175.5176.5-174.20109.5L323L323-K379 HydrophobicContact CD2-CG 3.65Å
380E50.9Low50.1Low55 Ų5586.3 Ų86.326%0.25746%0.457SS..PPolyproline II helixtrans-68.3139.7174.6-170146.2-115.800111D322 Y324 Y384D322-E380 PolarHBondContact O-N 3.21Å; D322-E380 VanDerWaalsContact O-N 3.09Å; Y324-E380 HydrophobicContact CD2-CB 4.26Å; Y324-E380 HydrophobicContact CE2-CB 4.18Å; Y324-E380 VanDerWaalsContact CE2-CD 3.42Å; Y324-E380 HydrophobicContact CE2-CG 4.42Å; Y324-E380 WeakPolarHBondContact CE2-OE2 3.39Å; Y324-E380 PolarHBondContact OH-OE2 3.02Å; E380-Y384 HydrophobicContact CG-CG 4.46Å; E380-Y384 WeakPolarHBondContact OE1-CD1 3.46Å; E380-Y384 WeakPolarHBondContact OE1-CE1 3.29Å
381S36.7Very low49.7Very low91 Ų9181.2 Ų81.264%0.63643%0.432SS*.PPolyproline II helixtrans-87.1131170.1133.90000108.6N383 Y384S381-N383 PolarHBondContact O-N 3.22Å; S381-Y384 PolarHBondContact O-N 3.38Å
382Q40.4Very low49.4Very low147 Ų14782.2 Ų82.269%0.68743%0.427SS*.THydrogen-bonded Turntrans-58.3-10.6-168.1-74.4-155.2-23.400117.2
383N34.5Very low49.3Very low130 Ų13082.2 Ų82.270%0.69543%0.429SS*.THydrogen-bonded Turntrans-9416.2176.3-83.8-9000114.9S381 V387S381-N383 PolarHBondContact O-N 3.22Å; N383-V387 WeakPolarHBondContact O-CB 3.42Å; N383-V387 WeakPolarHBondContact O-CG2 3.3Å
384Y42.3Very low49.5Very low77 Ų7779.2 Ų79.230%0.30241%0.409SS..THydrogen-bonded Turntrans-73.6-28.6-174.2-171.1-107.8000115.3E380 S381 V387 K388E380-Y384 HydrophobicContact CG-CG 4.46Å; E380-Y384 WeakPolarHBondContact OE1-CD1 3.46Å; E380-Y384 WeakPolarHBondContact OE1-CE1 3.29Å; S381-Y384 PolarHBondContact O-N 3.38Å; Y384-V387 CarbonylContact O-C 3.53Å; Y384-V387 VanDerWaalsContact O-C 3.22Å; Y384-V387 WeakPolarHBondContact O-CA 3.25Å; Y384-V387 VanDerWaalsContact O-CB 3.31Å; Y384-V387 WeakPolarHBondContact O-CB 2.92Å; Y384-V387 PolarHBondContact O-N 3.25Å; Y384-K388 HydrophobicContact CD1-CG 4.03Å; Y384-K388 HydrophobicContact CE1-CD 4.38Å; Y384-K388 HydrophobicContact CE1-CG 3.78Å; Y384-K388 PolarHBondContact O-N 2.85Å
385E35.7Very low49.8Very low67 Ų6782.1 Ų82.131%0.31342%0.423SS..THydrogen-bonded Turntrans-87.7-36.2-173.5-67.8-55.5127.600115.5V387 K388E385-V387 PolarHBondContact O-N 2.94Å; E385-K388 VanDerWaalsContact C-N 3.31Å; E385-K388 VanDerWaalsContact CD-CE 3.48Å; E385-K388 WeakPolarHBondContact O-CB 3.4Å; E385-K388 PolarHBondContact O-N 2.98Å; E385-K388 VanDerWaalsContact OE1-CD 3.29Å; E385-K388 WeakPolarHBondContact OE1-CD 3.45Å; E385-K388 WeakPolarHBondContact OE1-CE 3.44Å; E385-K388 VanDerWaalsContact OE1-CG 3.28Å; E385-K388 WeakPolarHBondContact OE1-CG 3.44Å; E385-K388 IonicContact OE1-NZ 3.28Å; E385-K388 PolarHBondContact OE1-NZ 2.88Å; E385-K388 WeakPolarHBondContact OE2-CB 3.49Å; E385-K388 WeakPolarHBondContact OE2-CD 3.48Å; E385-K388 VanDerWaalsContact OE2-CE 3.31Å; E385-K388 WeakPolarHBondContact OE2-CE 3.44Å; E385-K388 VanDerWaalsContact OE2-CG 3.24Å; E385-K388 WeakPolarHBondContact OE2-CG 3.37Å; E385-K388 IonicContact OE2-NZ 2.8Å; E385-K388 PolarHBondContact OE2-NZ 2.82Å
386A42Very low50.4Low92 Ų9288.2 Ų88.276%0.7645%0.445SS*.Hα-helixtrans-58.8-26.4164.100000110.3
387V41.6Very low51Low77 Ų7784.4 Ų84.447%0.46742%0.424SS..Hα-helixtrans-81.8-18.5168.8177.40000112.2N383 Y384 E385 D390 S391N383-V387 WeakPolarHBondContact O-CB 3.42Å; N383-V387 WeakPolarHBondContact O-CG2 3.3Å; Y384-V387 CarbonylContact O-C 3.53Å; Y384-V387 VanDerWaalsContact O-C 3.22Å; Y384-V387 WeakPolarHBondContact O-CA 3.25Å; Y384-V387 VanDerWaalsContact O-CB 3.31Å; Y384-V387 WeakPolarHBondContact O-CB 2.92Å; Y384-V387 PolarHBondContact O-N 3.25Å; E385-V387 PolarHBondContact O-N 2.94Å; V387-D390 CarbonylContact O-C 3.55Å; V387-S391 WeakPolarHBondContact O-CA 2.99Å; V387-S391 WeakPolarHBondContact O-CB 3.44Å; V387-S391 PolarHBondContact O-N 3.3Å
388K40.1Very low52.6Low42 Ų4285.8 Ų85.818%0.18343%0.428CS..Hα-helixtrans-69-45.1-170.6-108.5-146.9-153.4118.90114.9E64 Y384 E385 S391 R392E64-K388 IonicContact OE1-NZ 2.94Å; E64-K388 PolarHBondContact OE1-NZ 2.91Å; Y384-K388 HydrophobicContact CD1-CG 4.03Å; Y384-K388 HydrophobicContact CE1-CD 4.38Å; Y384-K388 HydrophobicContact CE1-CG 3.78Å; Y384-K388 PolarHBondContact O-N 2.85Å; E385-K388 VanDerWaalsContact C-N 3.31Å; E385-K388 VanDerWaalsContact CD-CE 3.48Å; E385-K388 WeakPolarHBondContact O-CB 3.4Å; E385-K388 PolarHBondContact O-N 2.98Å; E385-K388 VanDerWaalsContact OE1-CD 3.29Å; E385-K388 WeakPolarHBondContact OE1-CD 3.45Å; E385-K388 WeakPolarHBondContact OE1-CE 3.44Å; E385-K388 VanDerWaalsContact OE1-CG 3.28Å; E385-K388 WeakPolarHBondContact OE1-CG 3.44Å; E385-K388 IonicContact OE1-NZ 3.28Å; E385-K388 PolarHBondContact OE1-NZ 2.88Å; E385-K388 WeakPolarHBondContact OE2-CB 3.49Å; E385-K388 WeakPolarHBondContact OE2-CD 3.48Å; E385-K388 VanDerWaalsContact OE2-CE 3.31Å; E385-K388 WeakPolarHBondContact OE2-CE 3.44Å; E385-K388 VanDerWaalsContact OE2-CG 3.24Å; E385-K388 WeakPolarHBondContact OE2-CG 3.37Å; E385-K388 IonicContact OE2-NZ 2.8Å; E385-K388 PolarHBondContact OE2-NZ 2.82Å; K388-S391 VanDerWaalsContact CA-OG 3.24Å; K388-S391 WeakPolarHBondContact CA-OG 3.49Å; K388-S391 PolarHBondContact O-N 3.25Å; K388-S391 VanDerWaalsContact O-N 3.09Å; K388-S391 PolarHBondContact O-OG 3.21Å; K388-R392 PolarHBondContact O-N 3.28Å
389Q42.5Very low54.2Low150 Ų15083 Ų8370%0.70141%0.41SS*.Hα-helixtrans-66-48.3-180-158.995.5-7.300109.4S391Q389-S391 VanDerWaalsContact C-N 3.25Å; Q389-S391 PolarHBondContact O-N 3.04Å
390D44.8Very low56.2Low48 Ų4876.3 Ų76.326%0.25739%0.386SS..Hα-helixtrans-62.7-32.4169.2-88.7-13.5000110.4V387 R392 D393 V394 R432V387-D390 CarbonylContact O-C 3.55Å; D390-R392 PolarHBondContact O-N 3.11Å; D390-D393 PolarHBondContact O-N 3.41Å; D390-V394 HydrophobicContact CB-CG2 4.42Å; D390-V394 WeakPolarHBondContact O-CA 3.46Å; D390-V394 WeakPolarHBondContact O-CB 3.27Å; D390-V394 WeakPolarHBondContact O-CG2 3.45Å; D390-V394 PolarHBondContact O-N 2.71Å; D390-R432 IonicContact OD1-NE 3.5Å; D390-R432 PolarHBondContact OD1-NE 2.94Å; D390-R432 IonicContact OD1-NH2 3.75Å
391S54.5Low58Low24 Ų2475.1 Ų75.117%0.16838%0.381CS..Hα-helixtrans-70.3-37.6-173.877.60000111.8V387 K388 Q389 Q395V387-S391 WeakPolarHBondContact O-CA 2.99Å; V387-S391 WeakPolarHBondContact O-CB 3.44Å; V387-S391 PolarHBondContact O-N 3.3Å; K388-S391 VanDerWaalsContact CA-OG 3.24Å; K388-S391 WeakPolarHBondContact CA-OG 3.49Å; K388-S391 PolarHBondContact O-N 3.25Å; K388-S391 VanDerWaalsContact O-N 3.09Å; K388-S391 PolarHBondContact O-OG 3.21Å; Q389-S391 VanDerWaalsContact C-N 3.25Å; Q389-S391 PolarHBondContact O-N 3.04Å; S391-Q395 WeakPolarHBondContact O-CA 3.38Å; S391-Q395 WeakPolarHBondContact O-CB 3.39Å; S391-Q395 PolarHBondContact O-N 2.94Å
392R61.2Low60.5Low158 Ų15871 Ų7160%0.59635%0.352SS*.Hα-helixtrans-69-44179.1-72.2-170.4-172.4-178.75.4109.7K388 D390 Q395 R396K388-R392 PolarHBondContact O-N 3.28Å; D390-R392 PolarHBondContact O-N 3.11Å; R392-Q395 PolarHBondContact O-N 2.9Å; R392-R396 WeakPolarHBondContact O-CB 3.01Å; R392-R396 VanDerWaalsContact O-CG 3.26Å; R392-R396 WeakPolarHBondContact O-CG 3.44Å; R392-R396 PolarHBondContact O-N 2.94Å
393D65.5Low62.9Low49 Ų4966 Ų6626%0.26233%0.328SS..Hα-helixtrans-70.7-40178.7-71.3-16.4000111.5D390 R396 A397 I442D390-D393 PolarHBondContact O-N 3.41Å; D393-R396 PolarHBondContact O-N 2.99Å; D393-R396 IonicContact OD1-NH1 2.72Å; D393-R396 PolarHBondContact OD1-NH1 3.36Å; D393-A397 WeakPolarHBondContact O-CB 3.27Å; D393-A397 PolarHBondContact O-N 3.21Å; D393-I442 HydrophobicContact CB-CB 4.31Å; D393-I442 HydrophobicContact CB-CG2 4.41Å; D393-I442 WeakPolarHBondContact O-CG2 3.45Å
394V67.3Low65.6Low32 Ų3260.6 Ų60.619%0.19430%0.299CS..Hα-helixtrans-60.6-44.2170.3167.20000110.2D390 R396 A397 F398 I442D390-V394 HydrophobicContact CB-CG2 4.42Å; D390-V394 WeakPolarHBondContact O-CA 3.46Å; D390-V394 WeakPolarHBondContact O-CB 3.27Å; D390-V394 WeakPolarHBondContact O-CG2 3.45Å; D390-V394 PolarHBondContact O-N 2.71Å; V394-R396 PolarHBondContact O-N 3.21Å; V394-A397 PolarHBondContact O-N 3.11Å; V394-F398 HydrophobicContact CG1-CD2 3.39Å; V394-F398 HydrophobicContact CG1-CE2 3.18Å; V394-F398 HydrophobicContact CG1-CZ 4.35Å; V394-F398 WeakPolarHBondContact O-CB 3.46Å; V394-F398 WeakPolarHBondContact O-CD2 3.5Å; V394-F398 PolarHBondContact O-N 2.88Å; V394-I442 HydrophobicContact CG2-CD1 3.58Å; V394-I442 HydrophobicContact CG2-CG2 4.46Å
395Q73.9Confident68Low83 Ų8357.1 Ų57.139%0.38829%0.285SS..Hα-helixtrans-67.7-37.3179-170.9627700111.7S391 R392 M399S391-Q395 WeakPolarHBondContact O-CA 3.38Å; S391-Q395 WeakPolarHBondContact O-CB 3.39Å; S391-Q395 PolarHBondContact O-N 2.94Å; R392-Q395 PolarHBondContact O-N 2.9Å; Q395-M399 WeakPolarHBondContact O-CB 3.33Å; Q395-M399 PolarHBondContact O-N 2.9Å
396R76Confident70.8Confident153 Ų15353.9 Ų53.958%0.57727%0.27SS*.Hα-helixtrans-65.5-42.8171-77.1170.6176.9167.3-7.8111.5R392 D393 V394 M399 A400R392-R396 WeakPolarHBondContact O-CB 3.01Å; R392-R396 VanDerWaalsContact O-CG 3.26Å; R392-R396 WeakPolarHBondContact O-CG 3.44Å; R392-R396 PolarHBondContact O-N 2.94Å; D393-R396 PolarHBondContact O-N 2.99Å; D393-R396 IonicContact OD1-NH1 2.72Å; D393-R396 PolarHBondContact OD1-NH1 3.36Å; V394-R396 PolarHBondContact O-N 3.21Å; R396-M399 PolarHBondContact O-N 2.7Å; R396-A400 VanDerWaalsContact O-CB 3.32Å; R396-A400 WeakPolarHBondContact O-CB 3.3Å; R396-A400 PolarHBondContact O-N 3.31Å
397A76.1Confident73.2Confident0 Ų050.3 Ų50.30%024%0.239CC..Hα-helixtrans-65-43.7175.500000111.7D393 V394 M399 A400 N401 M428 I442 N443D393-A397 WeakPolarHBondContact O-CB 3.27Å; D393-A397 PolarHBondContact O-N 3.21Å; V394-A397 PolarHBondContact O-N 3.11Å; A397-M399 VanDerWaalsContact C-N 3.31Å; A397-M399 PolarHBondContact O-N 3.09Å; A397-A400 PolarHBondContact O-N 2.84Å; A397-N401 VanDerWaalsContact O-CB 3.3Å; A397-N401 WeakPolarHBondContact O-CB 3.45Å; A397-N401 PolarHBondContact O-N 3.46Å; A397-M428 HydrophobicContact CB-CE 4.26Å; A397-M428 HydrophobicContact CB-SD 4.25Å; A397-I442 HydrophobicContact CB-CG2 3.44Å; A397-I442 VanDerWaalsContact CB-CG2 3.44Å; A397-N443 HydrophobicContact CB-CB 4.06Å
398F83.3Confident75.6Confident95 Ų9548.6 Ų48.642%0.41723%0.226SC..Hα-helixtrans-60.7-39.8172.8-81.1-60.1000112V394 S402 M428 P518V394-F398 HydrophobicContact CG1-CD2 3.39Å; V394-F398 HydrophobicContact CG1-CE2 3.18Å; V394-F398 HydrophobicContact CG1-CZ 4.35Å; V394-F398 WeakPolarHBondContact O-CB 3.46Å; V394-F398 WeakPolarHBondContact O-CD2 3.5Å; V394-F398 PolarHBondContact O-N 2.88Å; F398-S402 WeakPolarHBondContact O-CB 3.4Å; F398-S402 PolarHBondContact O-N 2.97Å; F398-M428 HydrophobicContact CD1-CE 3.66Å; F398-M428 HydrophobicContact CE1-CE 3.98Å; F398-M428 HydrophobicContact CG-CE 4.18Å; F398-P518 HydrophobicContact CB-CB 4.48Å; F398-P518 HydrophobicContact CB-CG 4.35Å
399M85.8Confident78.1Confident9 Ų946.7 Ų46.74%0.04422%0.218CC..Hα-helixtrans-67.5-44.7174.7-174.265-17200111.8Q395 R396 A397 N401 S402 K403 L524Q395-M399 WeakPolarHBondContact O-CB 3.33Å; Q395-M399 PolarHBondContact O-N 2.9Å; R396-M399 PolarHBondContact O-N 2.7Å; A397-M399 VanDerWaalsContact C-N 3.31Å; A397-M399 PolarHBondContact O-N 3.09Å; M399-N401 VanDerWaalsContact C-N 3.33Å; M399-N401 PolarHBondContact O-N 2.9Å; M399-S402 PolarHBondContact O-N 2.96Å; M399-K403 HydrophobicContact CE-CD 4.47Å; M399-K403 HydrophobicContact CE-CG 4.21Å; M399-K403 WeakPolarHBondContact O-CG 3.48Å; M399-K403 PolarHBondContact O-N 2.83Å; M399-L524 HydrophobicContact CE-CD1 3.83Å
400A85.1Confident80.6Confident24 Ų2439.5 Ų39.520%0.19819%0.185CC..Hα-helixtrans-62.2-42.4177.800000111.3R396 A397 K403 Q404 N443R396-A400 VanDerWaalsContact O-CB 3.32Å; R396-A400 WeakPolarHBondContact O-CB 3.3Å; R396-A400 PolarHBondContact O-N 3.31Å; A397-A400 PolarHBondContact O-N 2.84Å; A400-K403 PolarHBondContact O-N 3.16Å; A400-Q404 PolarHBondContact O-N 2.74Å; A400-Q404 VanDerWaalsContact O-N 3.13Å; A400-N443 VanDerWaalsContact CB-OD1 3.3Å; A400-N443 WeakPolarHBondContact CB-OD1 3.4Å
401N87.7Confident82.9Confident29 Ų2937.2 Ų37.216%0.15517%0.172CC..Hα-helixtrans-62-48.9172.3-175.157.5000111.1A397 M399 K403 Q404 T405 M428 V499A397-N401 VanDerWaalsContact O-CB 3.3Å; A397-N401 WeakPolarHBondContact O-CB 3.45Å; A397-N401 PolarHBondContact O-N 3.46Å; M399-N401 VanDerWaalsContact C-N 3.33Å; M399-N401 PolarHBondContact O-N 2.9Å; N401-K403 VanDerWaalsContact C-N 3.3Å; N401-K403 PolarHBondContact O-N 3.19Å; N401-Q404 CarbonylContact O-C 3.38Å; N401-Q404 WeakPolarHBondContact O-CA 3.36Å; N401-Q404 WeakPolarHBondContact O-CB 3.24Å; N401-Q404 PolarHBondContact O-N 2.99Å; N401-T405 PolarHBondContact O-N 2.82Å; N401-T405 PolarHBondContact O-OG1 2.8Å; N401-T405 VanDerWaalsContact O-OG1 3.08Å; N401-M428 HydrophobicContact CB-CE 3.76Å; N401-M428 HydrophobicContact CB-SD 3.92Å; N401-V499 HydrophobicContact CB-CG2 4.42Å; N401-V499 WeakPolarHBondContact OD1-CG2 3.42Å
402S90.8Very high84.7Confident4 Ų440.2 Ų40.23%0.02818%0.18CC..Hα-helixtrans-57.3-40.3178.8176.30000112.8F398 M399 A406 P518 G521F398-S402 WeakPolarHBondContact O-CB 3.4Å; F398-S402 PolarHBondContact O-N 2.97Å; M399-S402 PolarHBondContact O-N 2.96Å; S402-A406 VanDerWaalsContact O-CB 3.28Å; S402-A406 WeakPolarHBondContact O-CB 3.49Å; S402-A406 PolarHBondContact O-N 2.91Å; S402-P518 PolarHBondContact OG-O 3.14Å; S402-G521 VanDerWaalsContact OG-CA 3.29Å; S402-G521 WeakPolarHBondContact OG-CA 3.4Å
403K91.3Very high86.3Confident44 Ų4434.6 Ų34.619%0.19116%0.161CC..Hα-helixtrans-61.2-44.1173.1-73174178.8-171.10111.8M399 A400 N401 A406 V407 I510 S512 L524M399-K403 HydrophobicContact CE-CD 4.47Å; M399-K403 HydrophobicContact CE-CG 4.21Å; M399-K403 WeakPolarHBondContact O-CG 3.48Å; M399-K403 PolarHBondContact O-N 2.83Å; A400-K403 PolarHBondContact O-N 3.16Å; N401-K403 VanDerWaalsContact C-N 3.3Å; N401-K403 PolarHBondContact O-N 3.19Å; K403-A406 WeakPolarHBondContact O-CB 3.45Å; K403-A406 PolarHBondContact O-N 3.25Å; K403-V407 WeakPolarHBondContact O-CG2 3.29Å; K403-V407 PolarHBondContact O-N 3.39Å; K403-I510 HydrophobicContact CB-CD1 4.07Å; K403-I510 HydrophobicContact CD-CB 3.96Å; K403-I510 HydrophobicContact CD-CG2 4.02Å; K403-I510 WeakPolarHBondContact CE-O 3.38Å; K403-I510 HydrophobicContact CG-CB 4.08Å; K403-I510 HydrophobicContact CG-CD1 4.27Å; K403-I510 HydrophobicContact CG-CG2 3.94Å; K403-I510 PolarHBondContact NZ-O 3.35Å; K403-S512 PolarHBondContact NZ-OG 3.32Å; K403-S512 VanDerWaalsContact NZ-OG 3.14Å; K403-L524 HydrophobicContact CG-CD1 4.21Å
404Q90.2Very high87.6Confident16 Ų1633.2 Ų33.28%0.07516%0.157CC..Hα-helixtrans-70-42.4-178.5-161.3-162.2-66.400111.9A400 N401 A406 V407 M408 R426 L500 A501 V502A400-Q404 PolarHBondContact O-N 2.74Å; A400-Q404 VanDerWaalsContact O-N 3.13Å; N401-Q404 CarbonylContact O-C 3.38Å; N401-Q404 WeakPolarHBondContact O-CA 3.36Å; N401-Q404 WeakPolarHBondContact O-CB 3.24Å; N401-Q404 PolarHBondContact O-N 2.99Å; Q404-A406 VanDerWaalsContact C-N 3.29Å; Q404-A406 PolarHBondContact O-N 2.7Å; Q404-V407 PolarHBondContact O-N 2.83Å; Q404-M408 WeakPolarHBondContact O-CG 3.21Å; Q404-M408 PolarHBondContact O-N 3.12Å; Q404-R426 VanDerWaalsContact OE1-NH2 3.1Å; Q404-L500 PolarHBondContact NE2-O 3.35Å; Q404-A501 VanDerWaalsContact NE2-CA 3.29Å; Q404-V502 HydrophobicContact CG-CG2 4.04Å; Q404-V502 VanDerWaalsContact NE2-N 3.13Å
405T92.3Very high88.8Confident3 Ų340.5 Ų40.52%0.01819%0.189CC..Hα-helixtrans-62.8-38.3173.6-53.80000111N401 V407 M408 E409 I549 E550 T551N401-T405 PolarHBondContact O-N 2.82Å; N401-T405 PolarHBondContact O-OG1 2.8Å; N401-T405 VanDerWaalsContact O-OG1 3.08Å; T405-V407 PolarHBondContact O-N 2.6Å; T405-M408 PolarHBondContact O-N 3.03Å; T405-E409 VanDerWaalsContact O-CB 3.26Å; T405-E409 WeakPolarHBondContact O-CB 3.41Å; T405-E409 PolarHBondContact O-N 3.26Å; T405-I549 HydrophobicContact CG2-CB 4.49Å; T405-I549 HydrophobicContact CG2-CG1 4.18Å; T405-I549 HydrophobicContact CG2-CG2 3.92Å; T405-I549 WeakPolarHBondContact CG2-O 3.26Å; T405-E550 VanDerWaalsContact CG2-C 3.46Å; T405-T551 HydrophobicContact CG2-CG2 3.97Å
406A94Very high89.6Confident0 Ų039.6 Ų39.60%018%0.184CC..Hα-helixtrans-60.5-43.5173.300000112.4S402 K403 Q404 A410 L524 T525 I549S402-A406 VanDerWaalsContact O-CB 3.28Å; S402-A406 WeakPolarHBondContact O-CB 3.49Å; S402-A406 PolarHBondContact O-N 2.91Å; K403-A406 WeakPolarHBondContact O-CB 3.45Å; K403-A406 PolarHBondContact O-N 3.25Å; Q404-A406 VanDerWaalsContact C-N 3.29Å; Q404-A406 PolarHBondContact O-N 2.7Å; A406-A410 VanDerWaalsContact O-CB 3.23Å; A406-A410 WeakPolarHBondContact O-CB 3.31Å; A406-A410 PolarHBondContact O-N 3.2Å; A406-L524 HydrophobicContact CB-CB 3.95Å; A406-T525 VanDerWaalsContact CA-OG1 3.3Å; A406-T525 WeakPolarHBondContact CA-OG1 3.28Å; A406-T525 WeakPolarHBondContact CB-OG1 3.39Å; A406-I549 HydrophobicContact CB-CG2 4.43Å
407V92.7Very high90Very high17 Ų1737.6 Ų37.610%0.10318%0.181CC..Hα-helixtrans-62.6-48.71741730000111K403 Q404 T405 E409 A410 H411 L420 A504 I508 I510 V528K403-V407 WeakPolarHBondContact O-CG2 3.29Å; K403-V407 PolarHBondContact O-N 3.39Å; Q404-V407 PolarHBondContact O-N 2.83Å; T405-V407 PolarHBondContact O-N 2.6Å; V407-E409 PolarHBondContact O-N 2.97Å; V407-A410 PolarHBondContact O-N 3.45Å; V407-H411 PolarHBondContact O-N 3.33Å; V407-H411 PolarHBondContact O-ND1 2.9Å; V407-L420 HydrophobicContact CG1-CD2 4.27Å; V407-A504 HydrophobicContact CG1-CB 4.29Å; V407-I508 HydrophobicContact CG1-CD1 4.13Å; V407-I508 HydrophobicContact CG2-CG2 4.07Å; V407-I510 HydrophobicContact CG2-CD1 4.05Å; V407-V528 HydrophobicContact CG2-CG2 4.33Å
408M92Very high90.5Very high40 Ų4047.1 Ų47.120%0.19722%0.222CC..Hα-helixtrans-56.7-49.6179.3-73.8174.867.400112Q404 T405 H411 R412 L420 V502 T551Q404-M408 WeakPolarHBondContact O-CG 3.21Å; Q404-M408 PolarHBondContact O-N 3.12Å; T405-M408 PolarHBondContact O-N 3.03Å; M408-H411 PolarHBondContact O-N 3.36Å; M408-R412 PolarHBondContact O-N 3.43Å; M408-L420 HydrophobicContact CB-CD1 4.36Å; M408-L420 HydrophobicContact CG-CD1 4.21Å; M408-V502 HydrophobicContact CE-CG1 4.4Å; M408-V502 HydrophobicContact CG-CG2 3.32Å; M408-V502 HydrophobicContact SD-CG1 4.16Å; M408-V502 HydrophobicContact SD-CG2 3.65Å; M408-T551 HydrophobicContact CE-CG2 4.32Å
409E94.3Very high90.7Very high2 Ų245.7 Ų45.71%0.00922%0.217CC..Hα-helixtrans-69.1-39.7-176.3-178.658.7-165.300111.9T405 V407 H411 R412 L413 T525 I549 G553 M614T405-E409 VanDerWaalsContact O-CB 3.26Å; T405-E409 WeakPolarHBondContact O-CB 3.41Å; T405-E409 PolarHBondContact O-N 3.26Å; V407-E409 PolarHBondContact O-N 2.97Å; E409-H411 VanDerWaalsContact C-N 3.33Å; E409-H411 PolarHBondContact O-N 3.15Å; E409-R412 WeakPolarHBondContact O-CB 3.36Å; E409-R412 PolarHBondContact O-N 2.75Å; E409-R412 IonicContact OE1-CZ 2.81Å; E409-R412 IonicContact OE1-NE 2.83Å; E409-R412 PolarHBondContact OE1-NE 3.24Å; E409-R412 IonicContact OE1-NH2 2.66Å; E409-R412 PolarHBondContact OE1-NH2 3.33Å; E409-R412 IonicContact OE2-CZ 2.67Å; E409-R412 IonicContact OE2-NE 2.7Å; E409-R412 PolarHBondContact OE2-NE 2.89Å; E409-R412 IonicContact OE2-NH2 3.7Å; E409-L413 HydrophobicContact CG-CD1 4.05Å; E409-L413 HydrophobicContact CG-CG 4.47Å; E409-L413 WeakPolarHBondContact O-CG 3.28Å; E409-L413 PolarHBondContact O-N 3.44Å; E409-T525 HydrophobicContact CB-CG2 3.86Å; E409-T525 HydrophobicContact CG-CG2 3.77Å; E409-I549 HydrophobicContact CB-CG1 4.3Å; E409-I549 HydrophobicContact CG-CD1 4.17Å; E409-I549 HydrophobicContact CG-CG1 4.29Å; E409-G553 WeakPolarHBondContact OE1-CA 3.28Å; E409-G553 PolarHBondContact OE2-N 3.04Å; E409-M614 HydrophobicContact CG-CB 4.4Å; E409-M614 HydrophobicContact CG-CG 4.12Å
410A94Very high90.8Very high0 Ų046.9 Ų46.90%022%0.223CC..Hα-helixtrans-59.5-44173.900000111.6A406 V407 R412 L413 A414 T525 V528 I532A406-A410 VanDerWaalsContact O-CB 3.23Å; A406-A410 WeakPolarHBondContact O-CB 3.31Å; A406-A410 PolarHBondContact O-N 3.2Å; V407-A410 PolarHBondContact O-N 3.45Å; A410-R412 VanDerWaalsContact C-N 3.33Å; A410-R412 PolarHBondContact O-N 3.14Å; A410-L413 PolarHBondContact O-N 3.04Å; A410-A414 VanDerWaalsContact O-CB 3.25Å; A410-A414 WeakPolarHBondContact O-CB 3.34Å; A410-A414 PolarHBondContact O-N 3.26Å; A410-T525 HydrophobicContact CB-CG2 4.2Å; A410-V528 HydrophobicContact CB-CB 3.74Å; A410-V528 HydrophobicContact CB-CG1 3.52Å; A410-I532 HydrophobicContact CB-CD1 4.02Å
411H93.3Very high91Very high0 Ų050 Ų500%024%0.237CC..Hα-helixtrans-65-37.5176.3-75.367.9000112.2V407 M408 E409 A414 E415 K416 E417 L420 E506V407-H411 PolarHBondContact O-N 3.33Å; V407-H411 PolarHBondContact O-ND1 2.9Å; M408-H411 PolarHBondContact O-N 3.36Å; E409-H411 VanDerWaalsContact C-N 3.33Å; E409-H411 PolarHBondContact O-N 3.15Å; H411-A414 CarbonylContact O-C 3.47Å; H411-A414 PolarHBondContact O-N 2.75Å; H411-E415 PolarHBondContact O-N 3.47Å; H411-E415 VanDerWaalsContact O-N 3.16Å; H411-K416 PolarHBondContact O-N 2.94Å; H411-E417 PolarHBondContact O-N 3.45Å; H411-L420 HydrophobicContact CB-CD1 3.95Å; H411-L420 HydrophobicContact CB-CD2 4.29Å; H411-L420 HydrophobicContact CB-CG 4.12Å; H411-E506 IonicContact NE2-OE1 3.57Å
412R92.9Very high91Very high87 Ų8751.9 Ų51.933%0.32824%0.243SC..Hα-helixtrans-61.7-51.4174.7174.6175.693.977.65.3111.8M408 E409 A410 A414 E415 E417 N552M408-R412 PolarHBondContact O-N 3.43Å; E409-R412 WeakPolarHBondContact O-CB 3.36Å; E409-R412 PolarHBondContact O-N 2.75Å; E409-R412 IonicContact OE1-CZ 2.81Å; E409-R412 IonicContact OE1-NE 2.83Å; E409-R412 PolarHBondContact OE1-NE 3.24Å; E409-R412 IonicContact OE1-NH2 2.66Å; E409-R412 PolarHBondContact OE1-NH2 3.33Å; E409-R412 IonicContact OE2-CZ 2.67Å; E409-R412 IonicContact OE2-NE 2.7Å; E409-R412 PolarHBondContact OE2-NE 2.89Å; E409-R412 IonicContact OE2-NH2 3.7Å; A410-R412 VanDerWaalsContact C-N 3.33Å; A410-R412 PolarHBondContact O-N 3.14Å; R412-A414 PolarHBondContact O-N 2.91Å; R412-E415 PolarHBondContact O-N 3.3Å; R412-E417 HydrophobicContact CB-CG 4.01Å; R412-E417 WeakPolarHBondContact CB-OE1 2.83Å; R412-E417 HydrophobicContact CG-CG 4.41Å; R412-E417 WeakPolarHBondContact CG-OE1 3.24Å; R412-N552 PolarHBondContact NH2-O 3.42Å
413L94Very high91Very high39 Ų3954.5 Ų54.520%0.20426%0.259CS..Hα-helixtrans-62.8-31.8178.2-68.2167.5000112E409 A410 E415 Y529 M614E409-L413 HydrophobicContact CG-CD1 4.05Å; E409-L413 HydrophobicContact CG-CG 4.47Å; E409-L413 WeakPolarHBondContact O-CG 3.28Å; E409-L413 PolarHBondContact O-N 3.44Å; A410-L413 PolarHBondContact O-N 3.04Å; L413-E415 VanDerWaalsContact C-N 3.26Å; L413-E415 PolarHBondContact O-N 2.59Å; L413-Y529 HydrophobicContact CB-CD2 3.72Å; L413-Y529 HydrophobicContact CB-CE2 3.65Å; L413-M614 HydrophobicContact CD1-CB 3.66Å
414A92.6Very high91Very high20 Ų2052.4 Ų52.417%0.16525%0.25CS..THydrogen-bonded Turntrans-82.83.217600000113.9A410 H411 R412 K416 Y529 I532 T533A410-A414 VanDerWaalsContact O-CB 3.25Å; A410-A414 WeakPolarHBondContact O-CB 3.34Å; A410-A414 PolarHBondContact O-N 3.26Å; H411-A414 CarbonylContact O-C 3.47Å; H411-A414 PolarHBondContact O-N 2.75Å; R412-A414 PolarHBondContact O-N 2.91Å; A414-K416 HydrophobicContact CB-CB 4.5Å; A414-K416 HydrophobicContact CB-CD 4.39Å; A414-K416 HydrophobicContact CB-CG 4.32Å; A414-K416 PolarHBondContact O-N 2.76Å; A414-Y529 HydrophobicContact CB-CD2 4.23Å; A414-Y529 HydrophobicContact CB-CE2 4.1Å; A414-I532 HydrophobicContact CB-CD1 3.78Å; A414-I532 HydrophobicContact CB-CG1 4.17Å; A414-T533 HydrophobicContact CB-CG2 3.73Å
415E92.3Very high91.1Very high185 Ų18551.8 Ų51.886%0.86425%0.247SC*.THydrogen-bonded Turntrans57.224.6-174.8-54.4-174.2173.600114.4H411 R412 L413H411-E415 PolarHBondContact O-N 3.47Å; H411-E415 VanDerWaalsContact O-N 3.16Å; R412-E415 PolarHBondContact O-N 3.3Å; L413-E415 VanDerWaalsContact C-N 3.26Å; L413-E415 PolarHBondContact O-N 2.59Å
416K90.4Very high90.9Very high65 Ų6553.4 Ų53.428%0.28325%0.253SS..  trans-104.721.8-179.1-70.1-177.1176-173.80113.6H411 A414 K418 E419 I532H411-K416 PolarHBondContact O-N 2.94Å; A414-K416 HydrophobicContact CB-CB 4.5Å; A414-K416 HydrophobicContact CB-CD 4.39Å; A414-K416 HydrophobicContact CB-CG 4.32Å; A414-K416 PolarHBondContact O-N 2.76Å; K416-K418 PolarHBondContact O-N 3.34Å; K416-E419 HydrophobicContact CB-CG 4.48Å; K416-E419 WeakPolarHBondContact O-CB 2.99Å; K416-E419 PolarHBondContact O-N 3.49Å; K416-I532 PolarHBondContact NZ-O 3.29Å
417E85.4Confident90.7Very high110 Ų11053.4 Ų53.451%0.51425%0.253SS..G310 helixtrans-55-29.6-177.4-61.4-175.9148.600114.3H411 R412 E419 L420H411-E417 PolarHBondContact O-N 3.45Å; R412-E417 HydrophobicContact CB-CG 4.01Å; R412-E417 WeakPolarHBondContact CB-OE1 2.83Å; R412-E417 HydrophobicContact CG-CG 4.41Å; R412-E417 WeakPolarHBondContact CG-OE1 3.24Å; E417-E419 PolarHBondContact O-N 3Å; E417-E419 VanDerWaalsContact O-N 3.14Å; E417-L420 WeakPolarHBondContact O-CB 3.48Å; E417-L420 PolarHBondContact O-N 3.39Å; E417-L420 VanDerWaalsContact O-N 3.09Å
418K86.9Confident90.2Very high201 Ų20153.2 Ų53.287%0.87425%0.251SS*.G310 helixtrans-65.2-12.3178.3-65.4179.9-176.7170.50113.4K416 L420K416-K418 PolarHBondContact O-N 3.34Å; K418-L420 VanDerWaalsContact C-N 3.31Å
419E86.1Confident89.8Confident64 Ų6454.5 Ų54.530%0.29926%0.259SS..G310 helixtrans-903177.2-57.8177.1-165.800112.6K416 E417 A504 N505K416-E419 HydrophobicContact CB-CG 4.48Å; K416-E419 WeakPolarHBondContact O-CB 2.99Å; K416-E419 PolarHBondContact O-N 3.49Å; E417-E419 PolarHBondContact O-N 3Å; E417-E419 VanDerWaalsContact O-N 3.14Å; E419-A504 CarbonylContact O-C 3.57Å; E419-A504 WeakPolarHBondContact O-CA 3.46Å; E419-N505 WeakPolarHBondContact CA-ND2 3.29Å; E419-N505 HydrophobicContact CB-CB 4.4Å; E419-N505 VanDerWaalsContact O-CG 3.31Å; E419-N505 PolarHBondContact O-N 3.38Å
420L87.9Confident89.4Confident35 Ų3554.5 Ų54.518%0.18326%0.259CS..EExtended strand (participates in β ladder)trans-100.1125.4175.7-60.6175.3000111.5V407 M408 H411 E417 K418 V502 T503 A504V407-L420 HydrophobicContact CG1-CD2 4.27Å; M408-L420 HydrophobicContact CB-CD1 4.36Å; M408-L420 HydrophobicContact CG-CD1 4.21Å; H411-L420 HydrophobicContact CB-CD1 3.95Å; H411-L420 HydrophobicContact CB-CD2 4.29Å; H411-L420 HydrophobicContact CB-CG 4.12Å; E417-L420 WeakPolarHBondContact O-CB 3.48Å; E417-L420 PolarHBondContact O-N 3.39Å; E417-L420 VanDerWaalsContact O-N 3.09Å; K418-L420 VanDerWaalsContact C-N 3.31Å; L420-V502 HydrophobicContact CD2-CG2 4.47Å; L420-T503 CarbonylContact C-O 3.47Å; L420-T503 WeakPolarHBondContact CA-O 3.18Å; L420-A504 HydrophobicContact CD2-CB 4.1Å
421D89.1Confident88.8Confident90 Ų9056 Ų5648%0.48127%0.267SS..EExtended strand (participates in β ladder)trans-103.6133.6173.6-79.3-33.5000111.4V423 V502 T503 N505D421-V423 PolarHBondContact O-N 3.45Å; D421-V502 CarbonylContact O-C 3.55Å; D421-V502 WeakPolarHBondContact O-CA 3.3Å; D421-V502 WeakPolarHBondContact O-CB 3.3Å; D421-T503 HydrophobicContact CB-CG2 3.86Å; D421-T503 PolarHBondContact N-O 3.08Å; D421-T503 PolarHBondContact O-N 3.4Å; D421-N505 PolarHBondContact OD2-OD1 2.95Å
422F89.2Confident88.2Confident67 Ų6759.8 Ų59.829%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-73.9124.2172.3179.3-101.5000111G424 V454 P456 L500F422-G424 WeakPolarHBondContact CE2-O 3.39Å; F422-G424 WeakPolarHBondContact CZ-O 3.33Å; F422-V454 HydrophobicContact CE1-CG1 4.12Å; F422-V454 VanDerWaalsContact CE1-O 3.28Å; F422-V454 WeakPolarHBondContact CE1-O 3.36Å; F422-V454 HydrophobicContact CZ-CG1 4.03Å; F422-P456 HydrophobicContact CD1-CG 4.28Å; F422-P456 HydrophobicContact CD2-CG 4.23Å; F422-P456 HydrophobicContact CE1-CG 4.29Å; F422-P456 HydrophobicContact CE2-CG 4.25Å; F422-P456 HydrophobicContact CG-CG 4.23Å; F422-P456 HydrophobicContact CZ-CG 4.26Å; F422-L500 HydrophobicContact CD2-CB 4.42Å; F422-L500 HydrophobicContact CD2-CD2 4.47Å; F422-L500 HydrophobicContact CE2-CB 3.93Å; F422-L500 HydrophobicContact CE2-CD2 3.55Å; F422-L500 HydrophobicContact CE2-CG 4.24Å; F422-L500 HydrophobicContact CZ-CD2 4.11Å
423V89.7Confident87.4Confident59 Ų5961 Ų6136%0.35830%0.295SS..EExtended strand (participates in β ladder)trans-107.1-31.7-175.3-1790000112.3D421 L447 A501 T503D421-V423 PolarHBondContact O-N 3.45Å; V423-L447 HydrophobicContact CG1-CD2 3.6Å; V423-A501 PolarHBondContact N-O 3.19Å; V423-T503 HydrophobicContact CG2-CG2 3.5Å
424G91.7Very high86.8Confident0 Ų059.6 Ų59.60%029%0.287CS..EExtended strand (participates in β ladder)trans162.5-153.2-177.700000115F422 I446 A501F422-G424 WeakPolarHBondContact CE2-O 3.39Å; F422-G424 WeakPolarHBondContact CZ-O 3.33Å; G424-I446 CarbonylContact C-O 3.59Å; G424-I446 WeakPolarHBondContact CA-O 3.25Å; G424-A501 PolarHBondContact N-O 2.94Å; G424-A501 WeakPolarHBondContact O-CB 3.38Å; G424-A501 PolarHBondContact O-N 3.39Å
425V91.3Very high86Confident3 Ų366.3 Ų66.32%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-120.3117.6179.8168.70000110.3V445 I446 V454 L459 V499V425-V445 CarbonylContact O-C 3.45Å; V425-V445 WeakPolarHBondContact O-CA 3.42Å; V425-I446 PolarHBondContact N-O 2.95Å; V425-I446 PolarHBondContact O-N 3.29Å; V425-V454 HydrophobicContact CB-CG1 4.3Å; V425-V454 HydrophobicContact CG2-CG1 3.63Å; V425-L459 HydrophobicContact CG1-CD1 3.61Å; V425-L459 HydrophobicContact CG2-CB 4.02Å; V425-V499 CarbonylContact C-O 3.55Å; V425-V499 WeakPolarHBondContact CA-O 3.1Å
426R89.5Confident85.7Confident38 Ų3860.2 Ų60.214%0.14329%0.289CS..EExtended strand (participates in β ladder)trans-79.1127.1173.7-176.1-179.4-55.6-71.6-8.8110.3Q404 M428 N443 D444 V445 G498 V499 A501Q404-R426 VanDerWaalsContact OE1-NH2 3.1Å; R426-M428 HydrophobicContact CG-SD 4.31Å; R426-M428 PolarHBondContact O-N 3.33Å; R426-N443 PolarHBondContact NH1-OD1 3.44Å; R426-D444 CarbonylContact C-O 3.52Å; R426-D444 WeakPolarHBondContact CA-O 3.42Å; R426-V445 HydrophobicContact CB-CG2 4.24Å; R426-V445 HydrophobicContact CG-CG2 4.36Å; R426-G498 CarbonylContact O-C 3.57Å; R426-G498 WeakPolarHBondContact O-CA 3.39Å; R426-V499 HydrophobicContact CB-CG2 3.89Å; R426-V499 HydrophobicContact CG-CG2 4.48Å; R426-V499 PolarHBondContact N-O 2.79Å; R426-V499 PolarHBondContact O-N 2.69Å; R426-A501 HydrophobicContact CB-CB 4.37Å
427V88.9Confident85.4Confident0 Ų057.1 Ų57.10%028%0.275CS..EExtended strand (participates in β ladder)trans-78117.3178.1-177.30000109.7I430 L440 N443 D444 I446V427-I430 HydrophobicContact CG1-CD1 3.81Å; V427-I430 HydrophobicContact CG1-CG1 3.48Å; V427-I430 VanDerWaalsContact CG1-CG1 3.48Å; V427-L440 HydrophobicContact CG1-CD2 4.24Å; V427-L440 HydrophobicContact CG2-CD1 4.27Å; V427-L440 HydrophobicContact CG2-CD2 4Å; V427-L440 HydrophobicContact CG2-CG 4.28Å; V427-N443 PolarHBondContact O-N 3.13Å; V427-D444 HydrophobicContact CG2-CB 4.42Å; V427-D444 PolarHBondContact N-O 3.1Å; V427-I446 HydrophobicContact CG2-CD1 3.76Å; V427-I446 HydrophobicContact CG2-CG1 3.94Å
428M83.1Confident85.2Confident12 Ų1256.8 Ų56.86%0.05928%0.277CS..EExtended strand (participates in β ladder)trans-95.1-34.3-177.9-66.5-55.4-67.400112.7A397 F398 N401 R426 N497 V499A397-M428 HydrophobicContact CB-CE 4.26Å; A397-M428 HydrophobicContact CB-SD 4.25Å; F398-M428 HydrophobicContact CD1-CE 3.66Å; F398-M428 HydrophobicContact CE1-CE 3.98Å; F398-M428 HydrophobicContact CG-CE 4.18Å; N401-M428 HydrophobicContact CB-CE 3.76Å; N401-M428 HydrophobicContact CB-SD 3.92Å; R426-M428 HydrophobicContact CG-SD 4.31Å; R426-M428 PolarHBondContact O-N 3.33Å; M428-N497 PolarHBondContact N-O 2.78Å; M428-V499 HydrophobicContact CG-CB 4.28Å; M428-V499 HydrophobicContact CG-CG1 3.82Å; M428-V499 HydrophobicContact CG-CG2 3.66Å; M428-V499 HydrophobicContact SD-CG2 3.62Å
429N83.2Confident85.2Confident67 Ų6749.5 Ų49.536%0.35825%0.251SS..EExtended strand (participates in β ladder)trans-154.9146.6-177.9-175.45000109.8Y494 L496 N497N429-Y494 VanDerWaalsContact CB-OH 3.23Å; N429-Y494 WeakPolarHBondContact CB-OH 3.41Å; N429-Y494 PolarHBondContact ND2-OH 3.14Å; N429-Y494 PolarHBondContact O-OH 2.85Å; N429-L496 CarbonylContact O-C 3.5Å; N429-L496 WeakPolarHBondContact O-CA 3.47Å; N429-L496 VanDerWaalsContact O-CB 3.3Å; N429-L496 WeakPolarHBondContact O-CB 3.36Å; N429-N497 PolarHBondContact N-O 2.96Å; N429-N497 PolarHBondContact O-N 3.25Å
430I84.9Confident85.4Confident3 Ų346.5 Ų46.52%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-132.8132.4-177.5-57.6174.1000107.7V427 R432 L437 L440 I442V427-I430 HydrophobicContact CG1-CD1 3.81Å; V427-I430 HydrophobicContact CG1-CG1 3.48Å; V427-I430 VanDerWaalsContact CG1-CG1 3.48Å; I430-R432 PolarHBondContact O-N 3.14Å; I430-L437 HydrophobicContact CG2-CB 3.79Å; I430-L437 HydrophobicContact CG2-CD1 3.96Å; I430-L437 HydrophobicContact CG2-CG 4.45Å; I430-L440 HydrophobicContact CD1-CB 4.01Å; I430-L440 HydrophobicContact CD1-CD2 4.03Å; I430-L440 HydrophobicContact CD1-CG 3.85Å; I430-L440 VanDerWaalsContact CD1-O 3.28Å; I430-L440 WeakPolarHBondContact CD1-O 3.18Å; I430-L440 HydrophobicContact CG1-CD2 4.44Å; I430-I442 HydrophobicContact CD1-CG1 4.15Å; I430-I442 HydrophobicContact CG1-CG1 4.1Å
431N83Confident85.3Confident32 Ų3251.7 Ų51.717%0.17125%0.254CS..  trans-71.3101.8170.4-172.7-20.3000110.1D433 V434 Y494 L495N431-D433 PolarHBondContact O-N 3.35Å; N431-D433 WeakPolarHBondContact OD1-CB 3.32Å; N431-D433 PolarHBondContact OD1-N 2.91Å; N431-V434 HydrophobicContact CB-CG2 3.96Å; N431-V434 WeakPolarHBondContact O-CB 3.43Å; N431-V434 PolarHBondContact O-N 3.07Å; N431-V434 VanDerWaalsContact O-N 3.14Å; N431-Y494 HydrophobicContact CB-CD1 4.03Å; N431-Y494 HydrophobicContact CB-CE1 4.38Å; N431-Y494 VanDerWaalsContact CB-O 3.27Å; N431-Y494 WeakPolarHBondContact CB-O 3.3Å; N431-Y494 PolarHBondContact ND2-O 3.3Å; N431-L495 WeakPolarHBondContact CB-O 3.45Å; N431-L495 PolarHBondContact N-O 3.37Å
432R79.5Confident85.1Confident78 Ų7847.8 Ų47.829%0.29423%0.234SC..THydrogen-bonded Turntrans-68.8-15.6-178.8-62.9-57.5-170.8-175.11.7114.3D390 I430 V434 L440D390-R432 IonicContact OD1-NE 3.5Å; D390-R432 PolarHBondContact OD1-NE 2.94Å; D390-R432 IonicContact OD1-NH2 3.75Å; I430-R432 PolarHBondContact O-N 3.14Å; R432-V434 PolarHBondContact O-N 3.25Å; R432-L440 PolarHBondContact NH1-O 3.18Å; R432-L440 VanDerWaalsContact NH1-O 3.13Å
433D75.6Confident85Confident114 Ų11446.7 Ų46.761%0.6123%0.231SC*.THydrogen-bonded Turntrans-72.2-6.3172.6-54.7-26.7000112.5N431 R491N431-D433 PolarHBondContact O-N 3.35Å; N431-D433 WeakPolarHBondContact OD1-CB 3.32Å; N431-D433 PolarHBondContact OD1-N 2.91Å; D433-R491 PolarHBondContact O-NH1 2.91Å; D433-R491 IonicContact OD2-NH2 3.49Å
434V81.3Confident85.1Confident8 Ų844 Ų445%0.04821%0.214CC..  trans-97.197.5178.6-175.20000109.5N431 R432 N436 L437 I489 L495N431-V434 HydrophobicContact CB-CG2 3.96Å; N431-V434 WeakPolarHBondContact O-CB 3.43Å; N431-V434 PolarHBondContact O-N 3.07Å; N431-V434 VanDerWaalsContact O-N 3.14Å; R432-V434 PolarHBondContact O-N 3.25Å; V434-N436 PolarHBondContact O-N 3.36Å; V434-L437 HydrophobicContact CB-CD1 4.02Å; V434-L437 HydrophobicContact CB-CG 4.4Å; V434-L437 HydrophobicContact CG1-CD1 3.99Å; V434-L437 HydrophobicContact CG1-CG 4.08Å; V434-L437 PolarHBondContact O-N 3.17Å; V434-I489 HydrophobicContact CG1-CD1 4.08Å; V434-I489 HydrophobicContact CG1-CG1 4.35Å; V434-I489 HydrophobicContact CG1-CG2 3.61Å; V434-L495 HydrophobicContact CG1-CD2 4.42Å; V434-L495 HydrophobicContact CG2-CD2 4.06Å
435Q77.7Confident85.1Confident162 Ų16244.6 Ų44.676%0.75722%0.218SC*.G310 helixtrans-51.8-34.6-173.7-66-177.80.200114.9L437 N438Q435-L437 PolarHBondContact O-N 2.92Å; Q435-N438 PolarHBondContact O-ND2 3.01Å; Q435-N438 VanDerWaalsContact O-ND2 3.08Å
436N85.6Confident85.2Confident56 Ų5644.5 Ų44.530%0.29922%0.217SC..G310 helixtrans-75.5-7.2-176-68.6-5.8000113.8V434 P487 R488 I489V434-N436 PolarHBondContact O-N 3.36Å; N436-P487 HydrophobicContact CB-CB 4.36Å; N436-P487 HydrophobicContact CB-CG 4.49Å; N436-R488 PolarHBondContact ND2-O 2.92Å; N436-I489 HydrophobicContact CB-CG1 4.06Å
437L84.1Confident85.4Confident1 Ų144.1 Ų44.11%0.00522%0.218CC..G310 helixtrans-95.73.5179.1-70.4174.7000114I430 V434 Q435 S439 L440 L466 I486 I489 L495I430-L437 HydrophobicContact CG2-CB 3.79Å; I430-L437 HydrophobicContact CG2-CD1 3.96Å; I430-L437 HydrophobicContact CG2-CG 4.45Å; V434-L437 HydrophobicContact CB-CD1 4.02Å; V434-L437 HydrophobicContact CB-CG 4.4Å; V434-L437 HydrophobicContact CG1-CD1 3.99Å; V434-L437 HydrophobicContact CG1-CG 4.08Å; V434-L437 PolarHBondContact O-N 3.17Å; Q435-L437 PolarHBondContact O-N 2.92Å; L437-S439 PolarHBondContact O-N 3.47Å; L437-S439 VanDerWaalsContact O-N 3.17Å; L437-L440 PolarHBondContact O-N 3.08Å; L437-L466 HydrophobicContact CD2-CD1 4.27Å; L437-I486 HydrophobicContact CD2-CG2 4.21Å; L437-I489 HydrophobicContact CD1-CD1 3.96Å; L437-I489 HydrophobicContact CD2-CD1 3.55Å; L437-I489 HydrophobicContact CG-CD1 3.57Å; L437-L495 HydrophobicContact CD1-CB 4.26Å; L437-L495 WeakPolarHBondContact CD1-O 3.35Å
438N81.6Confident85.7Confident103 Ų10344.9 Ų44.955%0.55122%0.224SC*.THydrogen-bonded Turntrans-62.3-25.5-173.7-68.8-14.2000114.4Q435Q435-N438 PolarHBondContact O-ND2 3.01Å; Q435-N438 VanDerWaalsContact O-ND2 3.08Å
439S86.6Confident86.1Confident48 Ų4844.6 Ų44.634%0.33622%0.222SC..THydrogen-bonded Turntrans-75.4-24.8177.253.10000113.3L437 R477 I486L437-S439 PolarHBondContact O-N 3.47Å; L437-S439 VanDerWaalsContact O-N 3.17Å; S439-R477 PolarHBondContact O-NH2 3.33Å; S439-I486 WeakPolarHBondContact OG-CD1 3.45Å
440L89.1Confident86.5Confident1 Ų145.6 Ų45.61%0.00523%0.227CC..  trans-82.8136.6176-166.170.2000109.7V427 I430 R432 L437 D444 L473 V475 L484 L496V427-L440 HydrophobicContact CG1-CD2 4.24Å; V427-L440 HydrophobicContact CG2-CD1 4.27Å; V427-L440 HydrophobicContact CG2-CD2 4Å; V427-L440 HydrophobicContact CG2-CG 4.28Å; I430-L440 HydrophobicContact CD1-CB 4.01Å; I430-L440 HydrophobicContact CD1-CD2 4.03Å; I430-L440 HydrophobicContact CD1-CG 3.85Å; I430-L440 VanDerWaalsContact CD1-O 3.28Å; I430-L440 WeakPolarHBondContact CD1-O 3.18Å; I430-L440 HydrophobicContact CG1-CD2 4.44Å; R432-L440 PolarHBondContact NH1-O 3.18Å; R432-L440 VanDerWaalsContact NH1-O 3.13Å; L437-L440 PolarHBondContact O-N 3.08Å; L440-D444 HydrophobicContact CD1-CB 4.18Å; L440-L473 HydrophobicContact CD1-CD1 4.44Å; L440-V475 HydrophobicContact CD1-CG1 4.07Å; L440-L484 HydrophobicContact CD1-CD1 4.03Å; L440-L496 HydrophobicContact CD2-CD2 3.81Å
441R87.3Confident86.8Confident143 Ų14348.9 Ų48.954%0.5426%0.262SS..  trans-114.8149.5177.9-66.5-174.4-172.8-156.71.1110.5D444R441-D444 PolarHBondContact N-OD2 2.56Å; R441-D444 VanDerWaalsContact O-CB 3.32Å; R441-D444 WeakPolarHBondContact O-CB 3.15Å; R441-D444 VanDerWaalsContact O-CG 3.28Å; R441-D444 PolarHBondContact O-N 2.74Å
442I85Confident87.1Confident9 Ų953.2 Ų53.25%0.04628%0.281CS..THydrogen-bonded Turntrans-59.3140.9167.4-65.9176.8000107.3D393 V394 A397 I430 D444D393-I442 HydrophobicContact CB-CB 4.31Å; D393-I442 HydrophobicContact CB-CG2 4.41Å; D393-I442 WeakPolarHBondContact O-CG2 3.45Å; V394-I442 HydrophobicContact CG2-CD1 3.58Å; V394-I442 HydrophobicContact CG2-CG2 4.46Å; A397-I442 HydrophobicContact CB-CG2 3.44Å; A397-I442 VanDerWaalsContact CB-CG2 3.44Å; I430-I442 HydrophobicContact CD1-CG1 4.15Å; I430-I442 HydrophobicContact CG1-CG1 4.1Å; I442-D444 VanDerWaalsContact C-N 3.34Å
443N85.8Confident87.6Confident44 Ų4453.3 Ų53.324%0.23530%0.299CS..THydrogen-bonded Turntrans76.4-0.5-171.7-162.742.6000116.9A397 A400 R426 V427A397-N443 HydrophobicContact CB-CB 4.06Å; A400-N443 VanDerWaalsContact CB-OD1 3.3Å; A400-N443 WeakPolarHBondContact CB-OD1 3.4Å; R426-N443 PolarHBondContact NH1-OD1 3.44Å; V427-N443 PolarHBondContact O-N 3.13Å
444D91.3Very high88.3Confident2 Ų248.4 Ų48.41%0.01127%0.273CS..  trans-63.1140.7168.3-73.9-15.4000110.4R426 V427 L440 R441 I442 V475 R477R426-D444 CarbonylContact C-O 3.52Å; R426-D444 WeakPolarHBondContact CA-O 3.42Å; V427-D444 HydrophobicContact CG2-CB 4.42Å; V427-D444 PolarHBondContact N-O 3.1Å; L440-D444 HydrophobicContact CD1-CB 4.18Å; R441-D444 PolarHBondContact N-OD2 2.56Å; R441-D444 VanDerWaalsContact O-CB 3.32Å; R441-D444 WeakPolarHBondContact O-CB 3.15Å; R441-D444 VanDerWaalsContact O-CG 3.28Å; R441-D444 PolarHBondContact O-N 2.74Å; I442-D444 VanDerWaalsContact C-N 3.34Å; D444-V475 HydrophobicContact CB-CB 4.22Å; D444-R477 WeakPolarHBondContact OD1-CB 3.36Å; D444-R477 WeakPolarHBondContact OD1-CG 3.27Å; D444-R477 IonicContact OD1-CZ 2.79Å; D444-R477 IonicContact OD1-NE 3.64Å; D444-R477 PolarHBondContact OD1-NE 3.09Å; D444-R477 IonicContact OD1-NH2 3.2Å; D444-R477 PolarHBondContact OD1-NH2 2.94Å; D444-R477 IonicContact OD2-CZ 3.58Å; D444-R477 IonicContact OD2-NE 3.57Å; D444-R477 IonicContact OD2-NH2 2.6Å; D444-R477 PolarHBondContact OD2-NH2 3.49Å
445V92.4Very high88.6Confident13 Ų1351.3 Ų51.38%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-104.1112.3171.1-1770000109.4V425 R426 L447 V475 A476 A501V425-V445 CarbonylContact O-C 3.45Å; V425-V445 WeakPolarHBondContact O-CA 3.42Å; R426-V445 HydrophobicContact CB-CG2 4.24Å; R426-V445 HydrophobicContact CG-CG2 4.36Å; V445-L447 HydrophobicContact CG1-CD2 4.06Å; V445-L447 PolarHBondContact O-N 2.84Å; V445-V475 CarbonylContact O-C 3.45Å; V445-V475 VanDerWaalsContact O-CA 3.23Å; V445-V475 WeakPolarHBondContact O-CA 3.49Å; V445-A476 HydrophobicContact CB-CB 4.33Å; V445-A476 PolarHBondContact N-O 2.77Å; V445-A476 PolarHBondContact O-N 3.32Å; V445-A501 HydrophobicContact CG1-CB 3.49Å; V445-A501 VanDerWaalsContact CG1-CB 3.49Å; V445-A501 HydrophobicContact CG2-CB 4.35Å
446I93.8Very high88.7Confident0 Ų047.2 Ų47.20%028%0.278CS..EExtended strand (participates in β ladder)trans-76.1113.7178-52.9173.1000108.5G424 V425 V427 I449 V454 L462 L473 V475G424-I446 CarbonylContact C-O 3.59Å; G424-I446 WeakPolarHBondContact CA-O 3.25Å; V425-I446 PolarHBondContact N-O 2.95Å; V425-I446 PolarHBondContact O-N 3.29Å; V427-I446 HydrophobicContact CG2-CD1 3.76Å; V427-I446 HydrophobicContact CG2-CG1 3.94Å; I446-I449 HydrophobicContact CG2-CG1 4.15Å; I446-V454 HydrophobicContact CG2-CG2 3.85Å; I446-L462 HydrophobicContact CD1-CD2 3.36Å; I446-L473 HydrophobicContact CG2-CD2 4.15Å; I446-V475 HydrophobicContact CG1-CG1 4.15Å
447L94.1Very high88.5Confident30 Ų3048.1 Ų48.116%0.15729%0.289CS..EExtended strand (participates in β ladder)trans-91.5-41.7-177.5-55.7-179.9000112V423 V445 V454 V474 A476 K481V423-L447 HydrophobicContact CG1-CD2 3.6Å; V445-L447 HydrophobicContact CG1-CD2 4.06Å; V445-L447 PolarHBondContact O-N 2.84Å; L447-V454 PolarHBondContact O-N 3.27Å; L447-V474 WeakPolarHBondContact CB-O 3.3Å; L447-V474 HydrophobicContact CD1-CG1 4.36Å; L447-V474 PolarHBondContact N-O 3.32Å; L447-A476 HydrophobicContact CD1-CB 4.17Å; L447-A476 HydrophobicContact CD2-CB 4.36Å; L447-A476 HydrophobicContact CG-CB 4.37Å; L447-K481 HydrophobicContact CD1-CD 4.26Å; L447-K481 HydrophobicContact CD1-CG 4.12Å
448S93.9Very high88.1Confident17 Ų1748.5 Ų48.512%0.11929%0.292CS..EExtended strand (participates in β ladder)trans-144.9154.3179.469.30000112.2E452 V474S448-E452 CarbonylContact C-O 3.22Å; S448-E452 WeakPolarHBondContact CA-O 3.3Å; S448-E452 WeakPolarHBondContact CB-O 3.5Å; S448-V474 PolarHBondContact N-O 3.41Å; S448-V474 PolarHBondContact O-N 3.24Å; S448-V474 VanDerWaalsContact O-N 3.1Å; S448-V474 VanDerWaalsContact OG-CB 3.28Å; S448-V474 WeakPolarHBondContact OG-CB 3.47Å; S448-V474 WeakPolarHBondContact OG-CG2 3.45Å
449I93Very high87.7Confident6 Ų645.9 Ų45.93%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-125.1118177.1-56.8167.3000107.5I446 G451 E452 V454 A458 L462 K465 T471 L473I446-I449 HydrophobicContact CG2-CG1 4.15Å; I449-G451 PolarHBondContact O-N 3.41Å; I449-E452 PolarHBondContact N-O 2.91Å; I449-E452 PolarHBondContact O-N 3.49Å; I449-E452 VanDerWaalsContact O-N 3.09Å; I449-V454 HydrophobicContact CD1-CG2 4Å; I449-V454 HydrophobicContact CG1-CG2 3.85Å; I449-A458 HydrophobicContact CD1-CB 4.29Å; I449-L462 HydrophobicContact CD1-CD1 3.84Å; I449-L462 HydrophobicContact CG1-CD1 4.38Å; I449-K465 HydrophobicContact CD1-CD 4.44Å; I449-K465 HydrophobicContact CG2-CD 3.77Å; I449-T471 HydrophobicContact CG2-CG2 3.51Å; I449-L473 HydrophobicContact CB-CD2 4.27Å; I449-L473 HydrophobicContact CG1-CD2 3.8Å; I449-L473 HydrophobicContact CG2-CD2 4.1Å
450N91.9Very high87.2Confident87 Ų8747.7 Ų47.747%0.46530%0.295SS..THydrogen-bonded Turntrans52.738.5-176.8-61.4-22.2000113.4E452 T471 E472N450-E452 VanDerWaalsContact C-N 3.25Å; N450-E452 PolarHBondContact O-N 3.21Å; N450-T471 WeakPolarHBondContact OD1-CA 3.38Å; N450-E472 PolarHBondContact N-O 2.74Å; N450-E472 PolarHBondContact OD1-N 3.14Å
451G89.3Confident86.9Confident72 Ų7251.2 Ų51.274%0.74231%0.314SS*.THydrogen-bonded Turntrans82.6-12.3-17900000115.2I449I449-G451 PolarHBondContact O-N 3.41Å
452E91Very high86.8Confident124 Ų12444.5 Ų44.558%0.57929%0.289SS*.EExtended strand (participates in β ladder)trans-85.8130.4174-64.4177.6165.500110.4S448 I449 N450 V454 K465S448-E452 CarbonylContact C-O 3.22Å; S448-E452 WeakPolarHBondContact CA-O 3.3Å; S448-E452 WeakPolarHBondContact CB-O 3.5Å; I449-E452 PolarHBondContact N-O 2.91Å; I449-E452 PolarHBondContact O-N 3.49Å; I449-E452 VanDerWaalsContact O-N 3.09Å; N450-E452 VanDerWaalsContact C-N 3.25Å; N450-E452 PolarHBondContact O-N 3.21Å; E452-V454 PolarHBondContact O-N 3.31Å; E452-K465 IonicContact OE2-NZ 3.14Å
453A90.4Very high86.8Confident79 Ų7945.2 Ų45.265%0.65329%0.294SS*.EExtended strand (participates in β ladder)trans-56.2136.9173.100000110.5
454V89.5Confident86.8Confident12 Ų1249.2 Ų49.27%0.07331%0.311CS..PPolyproline II helixtrans-60.5140.1174.6169.60000108.4F422 V425 I446 L447 I449 E452 A458F422-V454 HydrophobicContact CE1-CG1 4.12Å; F422-V454 VanDerWaalsContact CE1-O 3.28Å; F422-V454 WeakPolarHBondContact CE1-O 3.36Å; F422-V454 HydrophobicContact CZ-CG1 4.03Å; V425-V454 HydrophobicContact CB-CG1 4.3Å; V425-V454 HydrophobicContact CG2-CG1 3.63Å; I446-V454 HydrophobicContact CG2-CG2 3.85Å; L447-V454 PolarHBondContact O-N 3.27Å; I449-V454 HydrophobicContact CD1-CG2 4Å; I449-V454 HydrophobicContact CG1-CG2 3.85Å; E452-V454 PolarHBondContact O-N 3.31Å; V454-A458 HydrophobicContact CG1-CB 3.86Å
455T87.2Confident86.7Confident69 Ų6952.3 Ų52.342%0.42333%0.325SS..  trans-110.2162.4169.458.80000109.3S457 A458T455-S457 PolarHBondContact O-N 3.38Å; T455-S457 VanDerWaalsContact O-N 3.12Å; T455-S457 PolarHBondContact OG1-OG 3.26Å; T455-A458 WeakPolarHBondContact O-CB 3.15Å; T455-A458 PolarHBondContact O-N 3.45Å
456P80.4Confident86.5Confident75 Ų7551.8 Ų51.849%0.48732%0.321SS..THydrogen-bonded Turntrans-54.3-34.2177.1-29.336.4000113.7F422 A458 L500F422-P456 HydrophobicContact CD1-CG 4.28Å; F422-P456 HydrophobicContact CD2-CG 4.23Å; F422-P456 HydrophobicContact CE1-CG 4.29Å; F422-P456 HydrophobicContact CE2-CG 4.25Å; F422-P456 HydrophobicContact CG-CG 4.23Å; F422-P456 HydrophobicContact CZ-CG 4.26Å; P456-A458 VanDerWaalsContact C-N 3.26Å; P456-A458 PolarHBondContact O-N 3.21Å; P456-L500 HydrophobicContact CB-CD1 4.47Å; P456-L500 HydrophobicContact CB-CD2 3.97Å
457S80Confident86.2Confident76 Ų7656 Ų5653%0.53134%0.337SS..THydrogen-bonded Turntrans-68.5-18.5174.249.80000114.6T455 L459 A460T455-S457 PolarHBondContact O-N 3.38Å; T455-S457 VanDerWaalsContact O-N 3.12Å; T455-S457 PolarHBondContact OG1-OG 3.26Å; S457-L459 VanDerWaalsContact C-N 3.25Å; S457-L459 PolarHBondContact O-N 2.98Å; S457-A460 PolarHBondContact O-N 3.44Å
458A75.8Confident85.9Confident9 Ų957.7 Ų57.77%0.07436%0.356CS..Hα-helixtrans-68.5-22.9-175.900000112.9I449 V454 T455 P456 A460 L461 L462I449-A458 HydrophobicContact CD1-CB 4.29Å; V454-A458 HydrophobicContact CG1-CB 3.86Å; T455-A458 WeakPolarHBondContact O-CB 3.15Å; T455-A458 PolarHBondContact O-N 3.45Å; P456-A458 VanDerWaalsContact C-N 3.26Å; P456-A458 PolarHBondContact O-N 3.21Å; A458-A460 VanDerWaalsContact C-N 3.31Å; A458-A460 PolarHBondContact O-N 2.74Å; A458-L461 CarbonylContact O-C 3.6Å; A458-L461 PolarHBondContact O-N 3.02Å; A458-L461 VanDerWaalsContact O-N 3.13Å; A458-L462 WeakPolarHBondContact O-CB 3.31Å; A458-L462 PolarHBondContact O-N 2.99Å
459L73.4Confident85.8Confident48 Ų4859.3 Ų59.325%0.25137%0.37SS..Hα-helixtrans-56.3-45.6174.4174.962.9000111.6V425 S457 L461 G498V425-L459 HydrophobicContact CG1-CD1 3.61Å; V425-L459 HydrophobicContact CG2-CB 4.02Å; S457-L459 VanDerWaalsContact C-N 3.25Å; S457-L459 PolarHBondContact O-N 2.98Å; L459-L461 VanDerWaalsContact C-N 3.31Å; L459-L461 PolarHBondContact O-N 3.47Å; L459-G498 VanDerWaalsContact CD2-O 3.29Å; L459-G498 WeakPolarHBondContact CD2-O 3.43Å
460A77Confident85.8Confident85 Ų8566.5 Ų66.570%0.70240%0.397SS*.Hα-helixtrans-69.4-29.4178.700000112.7S457 A458S457-A460 PolarHBondContact O-N 3.44Å; A458-A460 VanDerWaalsContact C-N 3.31Å; A458-A460 PolarHBondContact O-N 2.74Å
461L81.8Confident85.9Confident75 Ų7562.4 Ų62.439%0.39338%0.375SS..Hα-helixtrans-90.7-19.4-175.8-60.5177000113.4A458 L459 Q464 K465A458-L461 CarbonylContact O-C 3.6Å; A458-L461 PolarHBondContact O-N 3.02Å; A458-L461 VanDerWaalsContact O-N 3.13Å; L459-L461 VanDerWaalsContact C-N 3.31Å; L459-L461 PolarHBondContact O-N 3.47Å; L461-Q464 WeakPolarHBondContact O-CA 3.22Å; L461-Q464 VanDerWaalsContact O-CB 3.31Å; L461-Q464 WeakPolarHBondContact O-CB 3.5Å; L461-Q464 PolarHBondContact O-N 3.14Å; L461-K465 PolarHBondContact O-N 2.8Å
462L85.3Confident86.1Confident3 Ų362.5 Ų62.52%0.01636%0.356CS..Hα-helixtrans-57.5-46.2-175.6175.463.5000112.7I446 I449 A458 Q464 K465 L466 L473 L496I446-L462 HydrophobicContact CD1-CD2 3.36Å; I449-L462 HydrophobicContact CD1-CD1 3.84Å; I449-L462 HydrophobicContact CG1-CD1 4.38Å; A458-L462 WeakPolarHBondContact O-CB 3.31Å; A458-L462 PolarHBondContact O-N 2.99Å; L462-Q464 PolarHBondContact O-N 2.87Å; L462-K465 PolarHBondContact O-N 3.43Å; L462-L466 HydrophobicContact CD1-CD1 4.07Å; L462-L466 HydrophobicContact CD1-CG 4.03Å; L462-L466 HydrophobicContact CG-CD1 4.09Å; L462-L466 HydrophobicContact CG-CG 4.47Å; L462-L466 VanDerWaalsContact O-CG 3.31Å; L462-L466 WeakPolarHBondContact O-CG 3.39Å; L462-L466 PolarHBondContact O-N 3.3Å; L462-L473 HydrophobicContact CD1-CD2 4.25Å; L462-L496 HydrophobicContact CD2-CD1 3.85Å; L462-L496 HydrophobicContact CD2-CD2 4.16Å
463P86.2Confident86.3Confident24 Ų2456.7 Ų56.716%0.15633%0.329CS..Hα-helixtrans-60.3-32.3173.8-24.335000113.5R467 L495P463-R467 VanDerWaalsContact O-CG 3.24Å; P463-R467 WeakPolarHBondContact O-CG 3.24Å; P463-R467 PolarHBondContact O-N 3.03Å; P463-L495 HydrophobicContact CB-CD1 4.2Å
464Q85.7Confident86.5Confident127 Ų12754.6 Ų54.659%0.59331%0.308SS*.Hα-helixtrans-71.2-44.8176.8-170.6-174.939.500111.1L461 L462 R467 A468L461-Q464 WeakPolarHBondContact O-CA 3.22Å; L461-Q464 VanDerWaalsContact O-CB 3.31Å; L461-Q464 WeakPolarHBondContact O-CB 3.5Å; L461-Q464 PolarHBondContact O-N 3.14Å; L462-Q464 PolarHBondContact O-N 2.87Å; Q464-R467 PolarHBondContact O-N 3.36Å; Q464-A468 PolarHBondContact O-N 3.13Å
465K87.9Confident86.8Confident67 Ų6754 Ų5429%0.29130%0.304SS..Hα-helixtrans-60.6-46.6177.2-70.9-167.2178.2-134.80111.6I449 E452 L461 L462 R467 A468 A469 T471I449-K465 HydrophobicContact CD1-CD 4.44Å; I449-K465 HydrophobicContact CG2-CD 3.77Å; E452-K465 IonicContact OE2-NZ 3.14Å; L461-K465 PolarHBondContact O-N 2.8Å; L462-K465 PolarHBondContact O-N 3.43Å; K465-R467 PolarHBondContact O-N 3.29Å; K465-A468 PolarHBondContact O-N 3.01Å; K465-A468 VanDerWaalsContact O-N 3.1Å; K465-A469 PolarHBondContact O-N 3.37Å; K465-T471 PolarHBondContact O-OG1 3.3Å
466L88.6Confident87.1Confident2 Ų251.8 Ų51.81%0.0129%0.293CS..Hα-helixtrans-60.8-28.5177.3-69.3173.6000113.7L437 L462 T471 I486 I489 L495 L496L437-L466 HydrophobicContact CD2-CD1 4.27Å; L462-L466 HydrophobicContact CD1-CD1 4.07Å; L462-L466 HydrophobicContact CD1-CG 4.03Å; L462-L466 HydrophobicContact CG-CD1 4.09Å; L462-L466 HydrophobicContact CG-CG 4.47Å; L462-L466 VanDerWaalsContact O-CG 3.31Å; L462-L466 WeakPolarHBondContact O-CG 3.39Å; L462-L466 PolarHBondContact O-N 3.3Å; L466-T471 HydrophobicContact CD2-CG2 4.24Å; L466-I486 HydrophobicContact CD2-CB 3.99Å; L466-I486 HydrophobicContact CD2-CG1 4.35Å; L466-I486 HydrophobicContact CD2-CG2 3.75Å; L466-I489 HydrophobicContact CB-CD1 4.09Å; L466-I489 HydrophobicContact CD1-CD1 4.4Å; L466-I489 PolarHBondContact O-N 3.17Å; L466-L495 HydrophobicContact CB-CD1 4.49Å; L466-L496 HydrophobicContact CD1-CD2 3.84Å
467R88.4Confident87.5Confident88 Ų8850 Ų5033%0.33228%0.277SS..Hα-helixtrans-84.2-25.6176.2-70.6179.7-162.5126.4-1113.6P463 Q464 K465 R488 I489 G493 L495P463-R467 VanDerWaalsContact O-CG 3.24Å; P463-R467 WeakPolarHBondContact O-CG 3.24Å; P463-R467 PolarHBondContact O-N 3.03Å; Q464-R467 PolarHBondContact O-N 3.36Å; K465-R467 PolarHBondContact O-N 3.29Å; R467-R488 WeakPolarHBondContact O-CG 2.95Å; R467-R488 PolarHBondContact O-NE 2.9Å; R467-I489 WeakPolarHBondContact CA-O 3.41Å; R467-G493 PolarHBondContact NH2-O 3.43Å; R467-L495 HydrophobicContact CG-CD1 3.97Å
468A88.4Confident87.6Confident66 Ų6654.5 Ų54.555%0.54529%0.289SS..Hα-helixtrans-74.1-47.9-175.500000111.9Q464 K465 R488Q464-A468 PolarHBondContact O-N 3.13Å; K465-A468 PolarHBondContact O-N 3.01Å; K465-A468 VanDerWaalsContact O-N 3.1Å; A468-R488 PolarHBondContact O-NE 3.26Å
469A90.9Very high87.8Confident51 Ų5157.5 Ų57.542%0.42132%0.322SS..SBendtrans-154.9175.6-175.400000111.7K465 T471K465-A469 PolarHBondContact O-N 3.37Å; A469-T471 PolarHBondContact O-N 2.89Å; A469-T471 PolarHBondContact O-OG1 2.83Å
470R93.2Very high88.7Confident158 Ų15860.2 Ų60.260%0.59634%0.336SS*.  trans-55.7132.7162.8177.7178.9174.7154.8-1.1108.4E472 S485 I486R470-E472 IonicContact CZ-OE1 3.58Å; R470-E472 IonicContact NE-OE1 2.93Å; R470-E472 PolarHBondContact NE-OE1 2.89Å; R470-E472 IonicContact NH2-OE1 3.37Å; R470-E472 PolarHBondContact NH2-OE1 3.12Å; R470-S485 PolarHBondContact NE-OG 2.84Å; R470-S485 PolarHBondContact NH2-OG 3.3Å; R470-I486 WeakPolarHBondContact CA-O 3.5Å
471T93.6Very high89.5Confident1 Ų164 Ų641%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-125.5125.3-174.1-58.20000109.1I449 N450 K465 L466 A469 L473 I486I449-T471 HydrophobicContact CG2-CG2 3.51Å; N450-T471 WeakPolarHBondContact OD1-CA 3.38Å; K465-T471 PolarHBondContact O-OG1 3.3Å; L466-T471 HydrophobicContact CD2-CG2 4.24Å; A469-T471 PolarHBondContact O-N 2.89Å; A469-T471 PolarHBondContact O-OG1 2.83Å; T471-L473 HydrophobicContact CG2-CD2 3.72Å; T471-L473 HydrophobicContact CG2-CG 4.31Å; T471-I486 PolarHBondContact N-O 3.22Å; T471-I486 PolarHBondContact O-N 3.47Å
472E93.4Very high90.1Very high74 Ų7463.8 Ų63.835%0.34633%0.334SS..EExtended strand (participates in β ladder)trans-90.2122.6173.6-59.7-59.6149.600108.5N450 R470 S485N450-E472 PolarHBondContact N-O 2.74Å; N450-E472 PolarHBondContact OD1-N 3.14Å; R470-E472 IonicContact CZ-OE1 3.58Å; R470-E472 IonicContact NE-OE1 2.93Å; R470-E472 PolarHBondContact NE-OE1 2.89Å; R470-E472 IonicContact NH2-OE1 3.37Å; R470-E472 PolarHBondContact NH2-OE1 3.12Å; E472-S485 WeakPolarHBondContact OE1-CB 3.27Å; E472-S485 PolarHBondContact OE1-OG 2.88Å; E472-S485 WeakPolarHBondContact OE2-CA 3.31Å; E472-S485 WeakPolarHBondContact OE2-CB 3.45Å
473L94.6Very high90.6Very high2 Ų271.6 Ų71.61%0.0137%0.37CS..EExtended strand (participates in β ladder)trans-113.4133.8179.2-59.1-179.2000109.6L440 I446 I449 L462 T471 V475 E483 L484 I486L440-L473 HydrophobicContact CD1-CD1 4.44Å; I446-L473 HydrophobicContact CG2-CD2 4.15Å; I449-L473 HydrophobicContact CB-CD2 4.27Å; I449-L473 HydrophobicContact CG1-CD2 3.8Å; I449-L473 HydrophobicContact CG2-CD2 4.1Å; L462-L473 HydrophobicContact CD1-CD2 4.25Å; T471-L473 HydrophobicContact CG2-CD2 3.72Å; T471-L473 HydrophobicContact CG2-CG 4.31Å; L473-V475 HydrophobicContact CB-CG1 4.2Å; L473-E483 CarbonylContact O-C 3.48Å; L473-E483 WeakPolarHBondContact O-CA 2.98Å; L473-L484 HydrophobicContact CB-CB 4.4Å; L473-L484 PolarHBondContact N-O 3.12Å; L473-L484 PolarHBondContact O-N 3.23Å; L473-I486 HydrophobicContact CD1-CD1 4.44Å; L473-I486 HydrophobicContact CD1-CG1 3.66Å; L473-I486 HydrophobicContact CG-CG1 4.05Å
474V95.7Very high91Very high34 Ų3471.4 Ų71.421%0.20637%0.368CS..EExtended strand (participates in β ladder)trans-98.4118.6163.6-174.90000107.6L447 S448 Q482 E483L447-V474 WeakPolarHBondContact CB-O 3.3Å; L447-V474 HydrophobicContact CD1-CG1 4.36Å; L447-V474 PolarHBondContact N-O 3.32Å; S448-V474 PolarHBondContact N-O 3.41Å; S448-V474 PolarHBondContact O-N 3.24Å; S448-V474 VanDerWaalsContact O-N 3.1Å; S448-V474 VanDerWaalsContact OG-CB 3.28Å; S448-V474 WeakPolarHBondContact OG-CB 3.47Å; S448-V474 WeakPolarHBondContact OG-CG2 3.45Å; V474-Q482 WeakPolarHBondContact CA-O 3.18Å; V474-E483 HydrophobicContact CG2-CG 4.32Å
475V94.9Very high91.3Very high0 Ų067.3 Ų67.30%035%0.353CS..EExtended strand (participates in β ladder)trans-116.8144.1-179.6-54.30000111.4L440 D444 V445 I446 L473 K481 Q482 L484L440-V475 HydrophobicContact CD1-CG1 4.07Å; D444-V475 HydrophobicContact CB-CB 4.22Å; V445-V475 CarbonylContact O-C 3.45Å; V445-V475 VanDerWaalsContact O-CA 3.23Å; V445-V475 WeakPolarHBondContact O-CA 3.49Å; I446-V475 HydrophobicContact CG1-CG1 4.15Å; L473-V475 HydrophobicContact CB-CG1 4.2Å; V475-K481 CarbonylContact O-C 3.33Å; V475-K481 WeakPolarHBondContact O-CA 3.42Å; V475-Q482 HydrophobicContact CG2-CB 4.06Å; V475-Q482 PolarHBondContact N-O 3.1Å; V475-Q482 PolarHBondContact O-N 3.48Å; V475-L484 HydrophobicContact CB-CD1 4.46Å; V475-L484 HydrophobicContact CG1-CD1 3.95Å; V475-L484 HydrophobicContact CG2-CD1 3.61Å; V475-L484 HydrophobicContact CG2-CG 3.96Å
476A93.3Very high91.5Very high23 Ų2364.1 Ų64.119%0.1934%0.34CS..EExtended strand (participates in β ladder)trans-93.1116.5163.400000109.4V445 L447 N480V445-A476 HydrophobicContact CB-CB 4.33Å; V445-A476 PolarHBondContact N-O 2.77Å; V445-A476 PolarHBondContact O-N 3.32Å; L447-A476 HydrophobicContact CD1-CB 4.17Å; L447-A476 HydrophobicContact CD2-CB 4.36Å; L447-A476 HydrophobicContact CG-CB 4.37Å; A476-N480 WeakPolarHBondContact CA-O 3.45Å
477R89.4Confident91.6Very high36 Ų3666.9 Ų66.914%0.13636%0.357CS..EExtended strand (participates in β ladder)trans-115.7114175.2-178177-66.2160.3-2.1108.8S439 D444 G479 N480S439-R477 PolarHBondContact O-NH2 3.33Å; D444-R477 WeakPolarHBondContact OD1-CB 3.36Å; D444-R477 WeakPolarHBondContact OD1-CG 3.27Å; D444-R477 IonicContact OD1-CZ 2.79Å; D444-R477 IonicContact OD1-NE 3.64Å; D444-R477 PolarHBondContact OD1-NE 3.09Å; D444-R477 IonicContact OD1-NH2 3.2Å; D444-R477 PolarHBondContact OD1-NH2 2.94Å; D444-R477 IonicContact OD2-CZ 3.58Å; D444-R477 IonicContact OD2-NE 3.57Å; D444-R477 IonicContact OD2-NH2 2.6Å; D444-R477 PolarHBondContact OD2-NH2 3.49Å; R477-G479 PolarHBondContact O-N 2.9Å; R477-N480 PolarHBondContact N-O 3.36Å; R477-N480 PolarHBondContact O-N 2.98Å
478E81.6Confident91.8Very high171 Ų17169.6 Ų69.680%0.79937%0.368SS*.THydrogen-bonded Turntrans52.139.1-178-58179.316400112.5N480E478-N480 VanDerWaalsContact C-N 3.29Å; E478-N480 PolarHBondContact O-N 3.01Å
479G81.1Confident91.9Very high73 Ų7366.6 Ų66.675%0.75334%0.342SS*.THydrogen-bonded Turntrans85.2-14.6-17800000115.3R477R477-G479 PolarHBondContact O-N 2.9Å
480N91.2Very high91.5Very high104 Ų10470 Ų7056%0.55636%0.358SS*.EExtended strand (participates in β ladder)trans-91131.1179.8-62.9-59.8000111.7A476 R477 E478A476-N480 WeakPolarHBondContact CA-O 3.45Å; R477-N480 PolarHBondContact N-O 3.36Å; R477-N480 PolarHBondContact O-N 2.98Å; E478-N480 VanDerWaalsContact C-N 3.29Å; E478-N480 PolarHBondContact O-N 3.01Å
481K94.6Very high90.8Very high166 Ų16667.9 Ų67.972%0.72235%0.35SS*.EExtended strand (participates in β ladder)trans-74.7133.2172.8-67.8-174.2-179.8-179.10110.5L447 V475L447-K481 HydrophobicContact CD1-CD 4.26Å; L447-K481 HydrophobicContact CD1-CG 4.12Å; V475-K481 CarbonylContact O-C 3.33Å; V475-K481 WeakPolarHBondContact O-CA 3.42Å
482Q94.9Very high89.9Confident70 Ų7073 Ų7333%0.32739%0.386SS..EExtended strand (participates in β ladder)trans-134.8137.5176.7-62.3-172.7-4.800109.7V474 V475V474-Q482 WeakPolarHBondContact CA-O 3.18Å; V475-Q482 HydrophobicContact CG2-CB 4.06Å; V475-Q482 PolarHBondContact N-O 3.1Å; V475-Q482 PolarHBondContact O-N 3.48Å
483E94.8Very high89.2Confident167 Ų16771.6 Ų71.678%0.7839%0.392SS*.EExtended strand (participates in β ladder)trans-93125171.7-61.5-172.5173.500109.2L473 V474L473-E483 CarbonylContact O-C 3.48Å; L473-E483 WeakPolarHBondContact O-CA 2.98Å; V474-E483 HydrophobicContact CG2-CG 4.32Å
484L94.1Very high88.5Confident19 Ų1976.4 Ų76.410%0.09941%0.41CS..EExtended strand (participates in β ladder)trans-120.3116.5-179.1-57.6-177.5000109.8L440 L473 V475 I486L440-L484 HydrophobicContact CD1-CD1 4.03Å; L473-L484 HydrophobicContact CB-CB 4.4Å; L473-L484 PolarHBondContact N-O 3.12Å; L473-L484 PolarHBondContact O-N 3.23Å; V475-L484 HydrophobicContact CB-CD1 4.46Å; V475-L484 HydrophobicContact CG1-CD1 3.95Å; V475-L484 HydrophobicContact CG2-CD1 3.61Å; V475-L484 HydrophobicContact CG2-CG 3.96Å; L484-I486 HydrophobicContact CB-CD1 4.18Å; L484-I486 PolarHBondContact O-N 3.06Å
485S92.6Very high88.1Confident42 Ų4274.9 Ų74.929%0.29440%0.401SS..EExtended strand (participates in β ladder)trans-84.2107.4168.7159.30000110R470 E472 P487R470-S485 PolarHBondContact NE-OG 2.84Å; R470-S485 PolarHBondContact NH2-OG 3.3Å; E472-S485 WeakPolarHBondContact OE1-CB 3.27Å; E472-S485 PolarHBondContact OE1-OG 2.88Å; E472-S485 WeakPolarHBondContact OE2-CA 3.31Å; E472-S485 WeakPolarHBondContact OE2-CB 3.45Å; S485-P487 WeakPolarHBondContact O-CD 3.5Å
486I92.4Very high87.7Confident0 Ų075.5 Ų75.50%040%0.404CS..EExtended strand (participates in β ladder)trans-94.3115.5176-50.4-57000110.1L437 S439 L466 R470 T471 L473 L484 I489L437-I486 HydrophobicContact CD2-CG2 4.21Å; S439-I486 WeakPolarHBondContact OG-CD1 3.45Å; L466-I486 HydrophobicContact CD2-CB 3.99Å; L466-I486 HydrophobicContact CD2-CG1 4.35Å; L466-I486 HydrophobicContact CD2-CG2 3.75Å; R470-I486 WeakPolarHBondContact CA-O 3.5Å; T471-I486 PolarHBondContact N-O 3.22Å; T471-I486 PolarHBondContact O-N 3.47Å; L473-I486 HydrophobicContact CD1-CD1 4.44Å; L473-I486 HydrophobicContact CD1-CG1 3.66Å; L473-I486 HydrophobicContact CG-CG1 4.05Å; L484-I486 HydrophobicContact CB-CD1 4.18Å; L484-I486 PolarHBondContact O-N 3.06Å; I486-I489 HydrophobicContact CG2-CD1 4.48Å
487P91.5Very high87.2Confident59 Ų5978.3 Ų78.338%0.38342%0.416SS..PPolyproline II helixtrans-62.8151.1174-17.730.4000111.4N436 S485 I489N436-P487 HydrophobicContact CB-CB 4.36Å; N436-P487 HydrophobicContact CB-CG 4.49Å; S485-P487 WeakPolarHBondContact O-CD 3.5Å; P487-I489 PolarHBondContact O-N 3.49Å
488R92Very high87Confident145 Ų14576.8 Ų76.855%0.54741%0.412SS..PPolyproline II helixtrans-51.9132.3179.5-176.5-178.1175.7-174-0.9111.3N436 R467 A468N436-R488 PolarHBondContact ND2-O 2.92Å; R467-R488 WeakPolarHBondContact O-CG 2.95Å; R467-R488 PolarHBondContact O-NE 2.9Å; A468-R488 PolarHBondContact O-NE 3.26Å
489I89.1Confident87.2Confident3 Ų370.5 Ų70.52%0.01539%0.385CS..PPolyproline II helixtrans-97.4118.8179.4-57178.3000109.9V434 N436 L437 L466 R467 I486 P487 R491 L495V434-I489 HydrophobicContact CG1-CD1 4.08Å; V434-I489 HydrophobicContact CG1-CG1 4.35Å; V434-I489 HydrophobicContact CG1-CG2 3.61Å; N436-I489 HydrophobicContact CB-CG1 4.06Å; L437-I489 HydrophobicContact CD1-CD1 3.96Å; L437-I489 HydrophobicContact CD2-CD1 3.55Å; L437-I489 HydrophobicContact CG-CD1 3.57Å; L466-I489 HydrophobicContact CB-CD1 4.09Å; L466-I489 HydrophobicContact CD1-CD1 4.4Å; L466-I489 PolarHBondContact O-N 3.17Å; R467-I489 WeakPolarHBondContact CA-O 3.41Å; I486-I489 HydrophobicContact CG2-CD1 4.48Å; P487-I489 PolarHBondContact O-N 3.49Å; I489-R491 HydrophobicContact CG2-CB 4.44Å; I489-L495 HydrophobicContact CD1-CD1 4.19Å; I489-L495 HydrophobicContact CG2-CD1 4.24Å; I489-L495 HydrophobicContact CG2-CD2 3.76Å
490T83.8Confident87.5Confident124 Ų12470.3 Ų70.376%0.76137%0.366SS*.  trans-92.7-16.1179.751.90000113.7
491R78.8Confident87.3Confident113 Ų11365.5 Ų65.543%0.42634%0.341SS..  trans-73.5128.6-178-171.6168.3172.7-178.3-5111.4D433 I489D433-R491 PolarHBondContact O-NH1 2.91Å; D433-R491 IonicContact OD2-NH2 3.49Å; I489-R491 HydrophobicContact CG2-CB 4.44Å
492S74.6Confident86.9Confident108 Ų10858.9 Ų58.976%0.75531%0.314SS*.  trans-77.4150.4170.2-61.90000111.3
493G77.5Confident86.5Confident45 Ų4558.9 Ų58.946%0.46432%0.319SS..SBendtrans113.8-168.3179.100000114R467 L495R467-G493 PolarHBondContact NH2-O 3.43Å; G493-L495 PolarHBondContact O-N 2.7Å
494Y81.5Confident85.9Confident102 Ų10251.6 Ų51.640%0.429%0.287SS..  trans-62.2122.6178.9175-106.1000110.8N429 N431 L496 N497N429-Y494 VanDerWaalsContact CB-OH 3.23Å; N429-Y494 WeakPolarHBondContact CB-OH 3.41Å; N429-Y494 PolarHBondContact ND2-OH 3.14Å; N429-Y494 PolarHBondContact O-OH 2.85Å; N431-Y494 HydrophobicContact CB-CD1 4.03Å; N431-Y494 HydrophobicContact CB-CE1 4.38Å; N431-Y494 VanDerWaalsContact CB-O 3.27Å; N431-Y494 WeakPolarHBondContact CB-O 3.3Å; N431-Y494 PolarHBondContact ND2-O 3.3Å; Y494-L496 VanDerWaalsContact CE2-C 3.48Å; Y494-L496 WeakPolarHBondContact CE2-O 3.24Å; Y494-N497 HydrophobicContact CE2-CB 3.91Å; Y494-N497 VanDerWaalsContact OH-CB 3.25Å; Y494-N497 WeakPolarHBondContact OH-CB 3.33Å; Y494-N497 PolarHBondContact OH-N 3.5Å; Y494-N497 VanDerWaalsContact OH-N 3.11Å
495L86.1Confident85.1Confident3 Ų355.6 Ų55.62%0.01631%0.309CS..  trans-102.3-53.8179-63.5-173.2000111.3N431 V434 L437 P463 L466 R467 I489 G493N431-L495 WeakPolarHBondContact CB-O 3.45Å; N431-L495 PolarHBondContact N-O 3.37Å; V434-L495 HydrophobicContact CG1-CD2 4.42Å; V434-L495 HydrophobicContact CG2-CD2 4.06Å; L437-L495 HydrophobicContact CD1-CB 4.26Å; L437-L495 WeakPolarHBondContact CD1-O 3.35Å; P463-L495 HydrophobicContact CB-CD1 4.2Å; L466-L495 HydrophobicContact CB-CD1 4.49Å; R467-L495 HydrophobicContact CG-CD1 3.97Å; I489-L495 HydrophobicContact CD1-CD1 4.19Å; I489-L495 HydrophobicContact CG2-CD1 4.24Å; I489-L495 HydrophobicContact CG2-CD2 3.76Å; G493-L495 PolarHBondContact O-N 2.7Å
496L86Confident84.4Confident12 Ų1255.6 Ų55.66%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-159.4163.9179.163.984.1000109.6N429 L440 L462 L466 Y494N429-L496 CarbonylContact O-C 3.5Å; N429-L496 WeakPolarHBondContact O-CA 3.47Å; N429-L496 VanDerWaalsContact O-CB 3.3Å; N429-L496 WeakPolarHBondContact O-CB 3.36Å; L440-L496 HydrophobicContact CD2-CD2 3.81Å; L462-L496 HydrophobicContact CD2-CD1 3.85Å; L462-L496 HydrophobicContact CD2-CD2 4.16Å; L466-L496 HydrophobicContact CD1-CD2 3.84Å; Y494-L496 VanDerWaalsContact CE2-C 3.48Å; Y494-L496 WeakPolarHBondContact CE2-O 3.24Å
497N83.5Confident83.6Confident83 Ų8359.9 Ų59.944%0.44433%0.334SS..EExtended strand (participates in β ladder)trans-126.7152.4168.6-165.817.8000109.6M428 N429 Y494M428-N497 PolarHBondContact N-O 2.78Å; N429-N497 PolarHBondContact N-O 2.96Å; N429-N497 PolarHBondContact O-N 3.25Å; Y494-N497 HydrophobicContact CE2-CB 3.91Å; Y494-N497 VanDerWaalsContact OH-CB 3.25Å; Y494-N497 WeakPolarHBondContact OH-CB 3.33Å; Y494-N497 PolarHBondContact OH-N 3.5Å; Y494-N497 VanDerWaalsContact OH-N 3.11Å
498G85.8Confident83.3Confident4 Ų458.8 Ų58.84%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-150.5173.3177.400000112.6R426 L459R426-G498 CarbonylContact O-C 3.57Å; R426-G498 WeakPolarHBondContact O-CA 3.39Å; L459-G498 VanDerWaalsContact CD2-O 3.29Å; L459-G498 WeakPolarHBondContact CD2-O 3.43Å
499V86.2Confident82.9Confident38 Ų3855.3 Ų55.323%0.2332%0.322CS..EExtended strand (participates in β ladder)trans-132.4155.7179.4-69.40000108.6N401 V425 R426 M428 A501N401-V499 HydrophobicContact CB-CG2 4.42Å; N401-V499 WeakPolarHBondContact OD1-CG2 3.42Å; V425-V499 CarbonylContact C-O 3.55Å; V425-V499 WeakPolarHBondContact CA-O 3.1Å; R426-V499 HydrophobicContact CB-CG2 3.89Å; R426-V499 HydrophobicContact CG-CG2 4.48Å; R426-V499 PolarHBondContact N-O 2.79Å; R426-V499 PolarHBondContact O-N 2.69Å; M428-V499 HydrophobicContact CG-CB 4.28Å; M428-V499 HydrophobicContact CG-CG1 3.82Å; M428-V499 HydrophobicContact CG-CG2 3.66Å; M428-V499 HydrophobicContact SD-CG2 3.62Å; V499-A501 PolarHBondContact O-N 3.38Å
500L86.2Confident82.8Confident69 Ų6956.1 Ų56.136%0.36133%0.327SS..EExtended strand (participates in β ladder)trans-61.7138.7176.8-59.1178.9000109.3Q404 F422 P456Q404-L500 PolarHBondContact NE2-O 3.35Å; F422-L500 HydrophobicContact CD2-CB 4.42Å; F422-L500 HydrophobicContact CD2-CD2 4.47Å; F422-L500 HydrophobicContact CE2-CB 3.93Å; F422-L500 HydrophobicContact CE2-CD2 3.55Å; F422-L500 HydrophobicContact CE2-CG 4.24Å; F422-L500 HydrophobicContact CZ-CD2 4.11Å; P456-L500 HydrophobicContact CB-CD1 4.47Å; P456-L500 HydrophobicContact CB-CD2 3.97Å
501A88.2Confident82.9Confident3 Ų354.7 Ų54.73%0.02531%0.314CS..EExtended strand (participates in β ladder)trans-108.7124.3173.900000109.4Q404 V423 G424 R426 V445 V499Q404-A501 VanDerWaalsContact NE2-CA 3.29Å; V423-A501 PolarHBondContact N-O 3.19Å; G424-A501 PolarHBondContact N-O 2.94Å; G424-A501 WeakPolarHBondContact O-CB 3.38Å; G424-A501 PolarHBondContact O-N 3.39Å; R426-A501 HydrophobicContact CB-CB 4.37Å; V445-A501 HydrophobicContact CG1-CB 3.49Å; V445-A501 VanDerWaalsContact CG1-CB 3.49Å; V445-A501 HydrophobicContact CG2-CB 4.35Å; V499-A501 PolarHBondContact O-N 3.38Å
502V86.3Confident82.8Confident28 Ų2850.2 Ų50.217%0.1730%0.3CS..EExtended strand (participates in β ladder)trans-123.2160.6177.1-53.60000111.2Q404 M408 L420 D421Q404-V502 HydrophobicContact CG-CG2 4.04Å; Q404-V502 VanDerWaalsContact NE2-N 3.13Å; M408-V502 HydrophobicContact CE-CG1 4.4Å; M408-V502 HydrophobicContact CG-CG2 3.32Å; M408-V502 HydrophobicContact SD-CG1 4.16Å; M408-V502 HydrophobicContact SD-CG2 3.65Å; L420-V502 HydrophobicContact CD2-CG2 4.47Å; D421-V502 CarbonylContact O-C 3.55Å; D421-V502 WeakPolarHBondContact O-CA 3.3Å; D421-V502 WeakPolarHBondContact O-CB 3.3Å
503T85Confident82.7Confident70 Ų7051.2 Ų51.243%0.42929%0.291SS..EExtended strand (participates in β ladder)trans-123.8150.1166.9-169.40000109.3L420 D421 V423L420-T503 CarbonylContact C-O 3.47Å; L420-T503 WeakPolarHBondContact CA-O 3.18Å; D421-T503 HydrophobicContact CB-CG2 3.86Å; D421-T503 PolarHBondContact N-O 3.08Å; D421-T503 PolarHBondContact O-N 3.4Å; V423-T503 HydrophobicContact CG2-CG2 3.5Å
504A82.8Confident82.3Confident13 Ų1353 Ų5311%0.10731%0.31CS..EExtended strand (participates in β ladder)trans-87.5154.5167.200000109.9V407 E419 L420 E506 I508V407-A504 HydrophobicContact CG1-CB 4.29Å; E419-A504 CarbonylContact O-C 3.57Å; E419-A504 WeakPolarHBondContact O-CA 3.46Å; L420-A504 HydrophobicContact CD2-CB 4.1Å; A504-E506 VanDerWaalsContact C-N 3.33Å; A504-E506 HydrophobicContact CB-CG 4.34Å; A504-I508 HydrophobicContact CB-CD1 4.22Å
505N77.9Confident82Confident104 Ų10450.2 Ų50.256%0.55630%0.3SS*.SBendtrans-65.3-37.6173.8-75.4-17000112.1E419 D421E419-N505 WeakPolarHBondContact CA-ND2 3.29Å; E419-N505 HydrophobicContact CB-CB 4.4Å; E419-N505 VanDerWaalsContact O-CG 3.31Å; E419-N505 PolarHBondContact O-N 3.38Å; D421-N505 PolarHBondContact OD2-OD1 2.95Å
506E77.8Confident81.1Confident42 Ų4252.6 Ų52.620%0.19633%0.325CS..SBendtrans-81.5144169.752.6178.5-173.800110.9V340 H411 A504 I508 I532V340-E506 WeakPolarHBondContact CG1-OE2 3.44Å; H411-E506 IonicContact NE2-OE1 3.57Å; A504-E506 VanDerWaalsContact C-N 3.33Å; A504-E506 HydrophobicContact CB-CG 4.34Å; E506-I508 HydrophobicContact CG-CD1 4.13Å; E506-I508 HydrophobicContact CG-CG1 4.02Å; E506-I508 PolarHBondContact O-N 2.89Å; E506-I532 WeakPolarHBondContact OE1-CG2 3.39Å
507S76.1Confident80.8Confident89 Ų8952.4 Ų52.462%0.62233%0.326SS*.  trans-77.594.7-179.265.60000110.5A341A341-S507 WeakPolarHBondContact CB-OG 3.29Å; A341-S507 PolarHBondContact N-O 3.44Å
508I84Confident80.9Confident36 Ų3650.1 Ų50.119%0.18532%0.316CS..EExtended strand (participates in β ladder)trans-95.4122172.1-54.8179.7000109.2V338 S339 V340 V407 A504 E506 I510 V528 I532V338-I508 HydrophobicContact CG1-CG2 4.28Å; S339-I508 WeakPolarHBondContact O-CA 3.28Å; V340-I508 HydrophobicContact CG1-CG1 4.3Å; V340-I508 HydrophobicContact CG2-CD1 4.4Å; V340-I508 HydrophobicContact CG2-CG1 4.11Å; V340-I508 HydrophobicContact CG2-CG2 4.33Å; V407-I508 HydrophobicContact CG1-CD1 4.13Å; V407-I508 HydrophobicContact CG2-CG2 4.07Å; A504-I508 HydrophobicContact CB-CD1 4.22Å; E506-I508 HydrophobicContact CG-CD1 4.13Å; E506-I508 HydrophobicContact CG-CG1 4.02Å; E506-I508 PolarHBondContact O-N 2.89Å; I508-I510 HydrophobicContact CG2-CG1 4.35Å; I508-V528 HydrophobicContact CD1-CG1 4.13Å; I508-I532 HydrophobicContact CD1-CG2 4.05Å
509S84.5Confident81.1Confident72 Ų7250.9 Ų50.950%0.50332%0.321SS..EExtended strand (participates in β ladder)trans-118.6124.4175.6-176.90000110.3S339S339-S509 PolarHBondContact N-O 2.84Å; S339-S509 PolarHBondContact O-N 3.2Å
510I87.3Confident81.4Confident20 Ų2049.4 Ų49.410%0.10331%0.312CS..EExtended strand (participates in β ladder)trans-108.7101175.2-50.5-174.1000109.4M337 V338 K403 V407 I508 L524 V528M337-I510 CarbonylContact O-C 3.59Å; M337-I510 VanDerWaalsContact O-CA 3.31Å; M337-I510 WeakPolarHBondContact O-CA 3.37Å; V338-I510 HydrophobicContact CG1-CG1 4.5Å; V338-I510 HydrophobicContact CG2-CD1 4.18Å; V338-I510 HydrophobicContact CG2-CG1 4.03Å; V338-I510 HydrophobicContact CG2-CG2 4.14Å; K403-I510 HydrophobicContact CB-CD1 4.07Å; K403-I510 HydrophobicContact CD-CB 3.96Å; K403-I510 HydrophobicContact CD-CG2 4.02Å; K403-I510 WeakPolarHBondContact CE-O 3.38Å; K403-I510 HydrophobicContact CG-CB 4.08Å; K403-I510 HydrophobicContact CG-CD1 4.27Å; K403-I510 HydrophobicContact CG-CG2 3.94Å; K403-I510 PolarHBondContact NZ-O 3.35Å; V407-I510 HydrophobicContact CG2-CD1 4.05Å; I508-I510 HydrophobicContact CG2-CG1 4.35Å; I510-L524 HydrophobicContact CG2-CD1 4.37Å; I510-L524 HydrophobicContact CG2-CD2 3.9Å; I510-V528 HydrophobicContact CD1-CG2 3.98Å
511N85Confident81.8Confident94 Ų9446.1 Ų46.150%0.50330%0.295SS..  trans-94.2112.7174.7-174.9-2.1000110.6M337 K513M337-N511 WeakPolarHBondContact CA-O 3.21Å; M337-N511 WeakPolarHBondContact CB-O 3.06Å; M337-N511 PolarHBondContact O-N 2.78Å; N511-K513 PolarHBondContact O-N 2.94Å; N511-K513 PolarHBondContact OD1-N 3.31Å
512S77.5Confident82.2Confident19 Ų1946 Ų4613%0.13329%0.294CS..  trans-88.97.7-177.658.40000115M337 K403 G514 F515M337-S512 VanDerWaalsContact CE-CB 3.5Å; K403-S512 PolarHBondContact NZ-OG 3.32Å; K403-S512 VanDerWaalsContact NZ-OG 3.14Å; S512-G514 PolarHBondContact O-N 2.86Å; S512-F515 VanDerWaalsContact CB-O 3.31Å; S512-F515 WeakPolarHBondContact CB-O 3.35Å; S512-F515 WeakPolarHBondContact O-CA 3.35Å; S512-F515 VanDerWaalsContact O-CB 3.27Å; S512-F515 WeakPolarHBondContact O-CB 3.43Å; S512-F515 WeakPolarHBondContact O-CD2 3.4Å; S512-F515 PolarHBondContact O-N 3.07Å; S512-F515 PolarHBondContact OG-O 2.78Å; S512-F515 VanDerWaalsContact OG-O 3.14Å
513K71.2Confident82.6Confident130 Ų13044.6 Ų44.657%0.56529%0.286SS*.THydrogen-bonded Turntrans38.734.1171.5-63.2-178.1-174166.60116.5E336 N511E336-K513 IonicContact OE2-NZ 3.77Å; E336-K513 PolarHBondContact OE2-NZ 2.95Å; E336-K513 VanDerWaalsContact OE2-NZ 3.14Å; N511-K513 PolarHBondContact O-N 2.94Å; N511-K513 PolarHBondContact OD1-N 3.31Å
514G70.3Confident83.1Confident83 Ų8341.3 Ų41.386%0.85627%0.265SS*.THydrogen-bonded Turntrans96.5-5.3-178.300000116.4S512S512-G514 PolarHBondContact O-N 2.86Å
515F74Confident83.7Confident42 Ų4240.7 Ų40.718%0.18426%0.26CS..  trans-76.2132.5166.8-63.6-104.7000109.6P330 A332 M337 T355 S512P330-F515 HydrophobicContact CB-CE1 3.93Å; P330-F515 HydrophobicContact CB-CZ 3.88Å; P330-F515 HydrophobicContact CG-CE1 3.86Å; P330-F515 HydrophobicContact CG-CZ 4.05Å; P330-F515 WeakPolarHBondContact O-CE1 3.38Å; A332-F515 HydrophobicContact CB-CD1 3.73Å; A332-F515 HydrophobicContact CB-CD2 3.87Å; A332-F515 HydrophobicContact CB-CE1 3.38Å; A332-F515 HydrophobicContact CB-CE2 3.54Å; A332-F515 HydrophobicContact CB-CG 4Å; A332-F515 HydrophobicContact CB-CZ 3.3Å; M337-F515 HydrophobicContact CE-CB 4.25Å; T355-F515 HydrophobicContact CG2-CD1 3.65Å; T355-F515 HydrophobicContact CG2-CE1 4.33Å; S512-F515 VanDerWaalsContact CB-O 3.31Å; S512-F515 WeakPolarHBondContact CB-O 3.35Å; S512-F515 WeakPolarHBondContact O-CA 3.35Å; S512-F515 VanDerWaalsContact O-CB 3.27Å; S512-F515 WeakPolarHBondContact O-CB 3.43Å; S512-F515 WeakPolarHBondContact O-CD2 3.4Å; S512-F515 PolarHBondContact O-N 3.07Å; S512-F515 PolarHBondContact OG-O 2.78Å; S512-F515 VanDerWaalsContact OG-O 3.14Å
516G68.5Low84.6Confident54 Ų5435.8 Ų35.856%0.55723%0.234SC*.  trans-142.2145.4-178.200000112
517G78.6Confident85.3Confident7 Ų733.8 Ų33.87%0.07222%0.224CC..  trans131.9134.7-17900000112.2S519 A520G517-S519 PolarHBondContact O-N 3.21Å; G517-S519 VanDerWaalsContact O-N 3.08Å; G517-A520 PolarHBondContact O-N 3.22Å
518P86.7Confident86.1Confident35 Ų3529.5 Ų29.523%0.22720%0.195CC..G310 helixtrans-66.4-10.317731.3-38.6000112.8F398 S402 A520 G521 T548F398-P518 HydrophobicContact CB-CB 4.48Å; F398-P518 HydrophobicContact CB-CG 4.35Å; S402-P518 PolarHBondContact OG-O 3.14Å; P518-A520 PolarHBondContact O-N 2.79Å; P518-A520 VanDerWaalsContact O-N 3.1Å; P518-G521 PolarHBondContact O-N 2.97Å; P518-T548 HydrophobicContact CB-CG2 3.91Å; P518-T548 HydrophobicContact CG-CG2 3.99Å; P518-T548 WeakPolarHBondContact O-CA 3.29Å
519S89.2Confident86.6Confident21 Ų2128.9 Ų28.915%0.14719%0.19CC..G310 helixtrans-66.9-6.6178.666.60000115.3G517 G521 T546 G547 V558 K564G517-S519 PolarHBondContact O-N 3.21Å; G517-S519 VanDerWaalsContact O-N 3.08Å; S519-G521 VanDerWaalsContact C-N 3.33Å; S519-T546 PolarHBondContact O-OG1 3.28Å; S519-G547 CarbonylContact C-O 3.59Å; S519-G547 PolarHBondContact O-N 3.37Å; S519-V558 VanDerWaalsContact CB-CG1 3.41Å; S519-K564 VanDerWaalsContact CB-NZ 3.32Å; S519-K564 PolarHBondContact OG-NZ 2.79Å; S519-K564 VanDerWaalsContact OG-NZ 3.16Å
520A92Very high86.9Confident6 Ų626 Ų265%0.0517%0.169CC..G310 helixtrans-84.6-9.7171.300000112.4V353 G517 P518 A522 M523 L524V353-A520 HydrophobicContact CG1-CB 3.48Å; V353-A520 VanDerWaalsContact CG1-CB 3.48Å; V353-A520 HydrophobicContact CG2-CB 4.42Å; G517-A520 PolarHBondContact O-N 3.22Å; P518-A520 PolarHBondContact O-N 2.79Å; P518-A520 VanDerWaalsContact O-N 3.1Å; A520-A522 PolarHBondContact O-N 3.09Å; A520-M523 PolarHBondContact O-N 3.39Å; A520-M523 VanDerWaalsContact O-N 3.17Å; A520-L524 HydrophobicContact CB-CD1 4.04Å; A520-L524 HydrophobicContact CB-CG 4.22Å; A520-L524 WeakPolarHBondContact O-CG 2.98Å; A520-L524 PolarHBondContact O-N 3.35Å
521G94.6Very high87Confident0 Ų025.5 Ų25.50%017%0.166CC..Hα-helixtrans-48.3-55.9-170.800000113.6S402 P518 S519 M523 L524 T525 G547S402-G521 VanDerWaalsContact OG-CA 3.29Å; S402-G521 WeakPolarHBondContact OG-CA 3.4Å; P518-G521 PolarHBondContact O-N 2.97Å; S519-G521 VanDerWaalsContact C-N 3.33Å; G521-M523 PolarHBondContact O-N 2.65Å; G521-L524 PolarHBondContact O-N 3.2Å; G521-T525 PolarHBondContact O-N 3.43Å; G521-T525 PolarHBondContact O-OG1 3.06Å; G521-G547 PolarHBondContact N-O 2.85Å
522A96.5Very high87.2Confident0 Ų021.1 Ų21.10%014%0.143CC..Hα-helixtrans-58.7-43.7-178.100000113.5A520 T525 L526 G547 V555 M614 I617A520-A522 PolarHBondContact O-N 3.09Å; A522-T525 WeakPolarHBondContact O-CB 3.38Å; A522-T525 PolarHBondContact O-N 2.91Å; A522-L526 PolarHBondContact O-N 3.05Å; A522-G547 PolarHBondContact N-O 2.93Å; A522-G547 VanDerWaalsContact N-O 3.14Å; A522-V555 HydrophobicContact CB-CG1 4.11Å; A522-V555 HydrophobicContact CB-CG2 4.19Å; A522-M614 HydrophobicContact CB-SD 3.8Å; A522-I617 HydrophobicContact CB-CD1 4.27Å
523M96.1Very high87.8Confident0 Ų022.7 Ų22.70%015%0.151CC..Hα-helixtrans-72.5-33179.8-64.1-59.393.700112.4I351 V353 A520 G521 L526 S527 F577 I617I351-M523 HydrophobicContact CG2-CB 3.93Å; I351-M523 HydrophobicContact CG2-CG 4.46Å; I351-M523 HydrophobicContact CG2-SD 4.07Å; V353-M523 HydrophobicContact CG2-CB 3.96Å; A520-M523 PolarHBondContact O-N 3.39Å; A520-M523 VanDerWaalsContact O-N 3.17Å; G521-M523 PolarHBondContact O-N 2.65Å; M523-L526 PolarHBondContact O-N 3.3Å; M523-S527 PolarHBondContact O-N 3.15Å; M523-F577 HydrophobicContact CE-CB 4.19Å; M523-F577 HydrophobicContact CE-CD2 4.03Å; M523-I617 HydrophobicContact CE-CD1 3.83Å
524L94.7Very high88.5Confident0 Ų019.3 Ų19.30%015%0.153CC..Hα-helixtrans-66-40.6170.5-69.6175.7000111.2A334 M337 V338 M399 K403 A406 I510 A520 G521 L526 S527 V528A334-L524 HydrophobicContact CB-CD2 4.24Å; M337-L524 HydrophobicContact CB-CD2 4.42Å; M337-L524 HydrophobicContact CE-CD2 4.17Å; M337-L524 HydrophobicContact SD-CD2 4.4Å; V338-L524 HydrophobicContact CG2-CD2 4.12Å; M399-L524 HydrophobicContact CE-CD1 3.83Å; K403-L524 HydrophobicContact CG-CD1 4.21Å; A406-L524 HydrophobicContact CB-CB 3.95Å; I510-L524 HydrophobicContact CG2-CD1 4.37Å; I510-L524 HydrophobicContact CG2-CD2 3.9Å; A520-L524 HydrophobicContact CB-CD1 4.04Å; A520-L524 HydrophobicContact CB-CG 4.22Å; A520-L524 WeakPolarHBondContact O-CG 2.98Å; A520-L524 PolarHBondContact O-N 3.35Å; G521-L524 PolarHBondContact O-N 3.2Å; L524-L526 VanDerWaalsContact C-N 3.35Å; L524-S527 PolarHBondContact O-N 3.41Å; L524-V528 VanDerWaalsContact O-CG2 3.31Å; L524-V528 WeakPolarHBondContact O-CG2 3.48Å; L524-V528 PolarHBondContact O-N 2.9Å
525T95.8Very high89.3Confident0 Ų018.8 Ų18.80%013%0.129CC..Hα-helixtrans-60.3-45.7175.3-51.20000110.9A406 E409 A410 G521 A522 S527 V528 Y529 M614A406-T525 VanDerWaalsContact CA-OG1 3.3Å; A406-T525 WeakPolarHBondContact CA-OG1 3.28Å; A406-T525 WeakPolarHBondContact CB-OG1 3.39Å; E409-T525 HydrophobicContact CB-CG2 3.86Å; E409-T525 HydrophobicContact CG-CG2 3.77Å; A410-T525 HydrophobicContact CB-CG2 4.2Å; G521-T525 PolarHBondContact O-N 3.43Å; G521-T525 PolarHBondContact O-OG1 3.06Å; A522-T525 WeakPolarHBondContact O-CB 3.38Å; A522-T525 PolarHBondContact O-N 2.91Å; T525-S527 PolarHBondContact O-N 3.08Å; T525-V528 PolarHBondContact O-N 3.3Å; T525-Y529 VanDerWaalsContact O-CB 3.3Å; T525-Y529 WeakPolarHBondContact O-CB 2.94Å; T525-Y529 PolarHBondContact O-N 3.38Å; T525-M614 HydrophobicContact CG2-CE 3.79Å; T525-M614 HydrophobicContact CG2-CG 4.03Å; T525-M614 HydrophobicContact CG2-SD 4.09Å
526L95.4Very high89.9Confident1 Ų120.1 Ų20.11%0.00514%0.138CC..Hα-helixtrans-59.3-46.3176.9-178.662.5000111.9I351 A522 M523 L524 Y529 Q530 L537 V543 M614 I617 I618 L621I351-L526 HydrophobicContact CD1-CB 4.42Å; I351-L526 HydrophobicContact CD1-CD2 4.06Å; I351-L526 HydrophobicContact CD1-CG 3.87Å; I351-L526 HydrophobicContact CG1-CD2 4.4Å; I351-L526 HydrophobicContact CG2-CD2 4.29Å; A522-L526 PolarHBondContact O-N 3.05Å; M523-L526 PolarHBondContact O-N 3.3Å; L524-L526 VanDerWaalsContact C-N 3.35Å; L526-Y529 PolarHBondContact O-N 3.19Å; L526-Q530 WeakPolarHBondContact O-CB 3.41Å; L526-Q530 PolarHBondContact O-N 2.97Å; L526-L537 HydrophobicContact CD1-CD1 4.1Å; L526-V543 HydrophobicContact CD2-CG1 4.43Å; L526-M614 HydrophobicContact CB-CE 4.26Å; L526-I617 HydrophobicContact CD1-CG2 4.03Å; L526-I617 HydrophobicContact CD2-CG2 4Å; L526-I617 HydrophobicContact CG-CG2 4.5Å; L526-I618 HydrophobicContact CD1-CD1 3.54Å; L526-L621 HydrophobicContact CD1-CD1 3.91Å; L526-L621 HydrophobicContact CD2-CD1 3.95Å
527S93.5Very high91Very high0 Ų017.7 Ų17.70%011%0.112CC..Hα-helixtrans-61-46.3177.3172.10000112.3A334 M335 V338 M523 L524 T525 Q531A334-S527 PolarHBondContact O-OG 3.23Å; M335-S527 PolarHBondContact SD-OG 3.38Å; M335-S527 VanDerWaalsContact SD-OG 3.38Å; V338-S527 WeakPolarHBondContact CB-OG 3.31Å; V338-S527 WeakPolarHBondContact CG2-OG 3.38Å; M523-S527 PolarHBondContact O-N 3.15Å; L524-S527 PolarHBondContact O-N 3.41Å; T525-S527 PolarHBondContact O-N 3.08Å; S527-Q531 WeakPolarHBondContact O-CG 3.44Å; S527-Q531 PolarHBondContact O-N 3.49Å; S527-Q531 VanDerWaalsContact O-N 3.08Å; S527-Q531 PolarHBondContact OG-NE2 3.06Å
528V92.8Very high91.6Very high0 Ų017.4 Ų17.40%011%0.109CC..Hα-helixtrans-61.9-47.8175.6178.70000110.3V338 V407 A410 I508 I510 L524 T525 Q530 Q531 I532V338-V528 HydrophobicContact CG1-CG2 3.7Å; V338-V528 HydrophobicContact CG2-CG2 4.05Å; V407-V528 HydrophobicContact CG2-CG2 4.33Å; A410-V528 HydrophobicContact CB-CB 3.74Å; A410-V528 HydrophobicContact CB-CG1 3.52Å; I508-V528 HydrophobicContact CD1-CG1 4.13Å; I510-V528 HydrophobicContact CD1-CG2 3.98Å; L524-V528 VanDerWaalsContact O-CG2 3.31Å; L524-V528 WeakPolarHBondContact O-CG2 3.48Å; L524-V528 PolarHBondContact O-N 2.9Å; T525-V528 PolarHBondContact O-N 3.3Å; V528-Q530 PolarHBondContact O-N 3.48Å; V528-Q531 PolarHBondContact O-N 3.4Å; V528-I532 HydrophobicContact CG1-CD1 4.46Å; V528-I532 HydrophobicContact CG1-CG2 4Å; V528-I532 WeakPolarHBondContact O-CG1 3.44Å; V528-I532 WeakPolarHBondContact O-CG2 3.32Å; V528-I532 PolarHBondContact O-N 3Å
529Y93.6Very high91.6Very high22 Ų2219.8 Ų19.89%0.08612%0.119CC..Hα-helixtrans-55.7-49.1180177.8-92.2000111.9L413 A414 T525 L526 Q531 I532 T533 L537 I618L413-Y529 HydrophobicContact CB-CD2 3.72Å; L413-Y529 HydrophobicContact CB-CE2 3.65Å; A414-Y529 HydrophobicContact CB-CD2 4.23Å; A414-Y529 HydrophobicContact CB-CE2 4.1Å; T525-Y529 VanDerWaalsContact O-CB 3.3Å; T525-Y529 WeakPolarHBondContact O-CB 2.94Å; T525-Y529 PolarHBondContact O-N 3.38Å; L526-Y529 PolarHBondContact O-N 3.19Å; Y529-Q531 VanDerWaalsContact C-N 3.35Å; Y529-Q531 PolarHBondContact O-N 3.31Å; Y529-I532 WeakPolarHBondContact O-CG1 3.26Å; Y529-I532 PolarHBondContact O-N 3.13Å; Y529-T533 HydrophobicContact CD1-CG2 4.39Å; Y529-T533 HydrophobicContact CD2-CG2 4.09Å; Y529-T533 HydrophobicContact CE1-CG2 4.07Å; Y529-T533 HydrophobicContact CE2-CG2 3.79Å; Y529-T533 HydrophobicContact CG-CG2 4.4Å; Y529-T533 WeakPolarHBondContact O-CB 3.45Å; Y529-T533 VanDerWaalsContact O-CG2 3.29Å; Y529-T533 WeakPolarHBondContact O-CG2 3.31Å; Y529-T533 PolarHBondContact O-N 3.48Å; Y529-T533 PolarHBondContact O-OG1 2.79Å; Y529-L537 HydrophobicContact CD1-CD1 3.99Å; Y529-L537 HydrophobicContact CE1-CD1 3.86Å; Y529-I618 HydrophobicContact CD1-CD1 3.62Å; Y529-I618 HydrophobicContact CE1-CD1 3.82Å; Y529-I618 HydrophobicContact CE1-CG1 4.48Å; Y529-I618 HydrophobicContact CE1-CG2 4.27Å; Y529-I618 HydrophobicContact CG-CD1 4.16Å
530Q90.9Very high91.6Very high11 Ų1121.1 Ų21.15%0.05114%0.137CC..Hα-helixtrans-60.9-42.2178169.4153.689.300112.1M335 L526 V528 T533 G534 Q535 D536M335-Q530 HydrophobicContact CE-CG 4.08Å; M335-Q530 HydrophobicContact SD-CG 4.48Å; L526-Q530 WeakPolarHBondContact O-CB 3.41Å; L526-Q530 PolarHBondContact O-N 2.97Å; V528-Q530 PolarHBondContact O-N 3.48Å; Q530-T533 PolarHBondContact O-OG1 3.28Å; Q530-G534 WeakPolarHBondContact O-CA 3.06Å; Q530-G534 PolarHBondContact O-N 3.42Å; Q530-Q535 VanDerWaalsContact CG-O 3.28Å; Q530-Q535 WeakPolarHBondContact CG-O 3.37Å; Q530-Q535 PolarHBondContact NE2-O 2.92Å; Q530-Q535 PolarHBondContact O-N 3.34Å; Q530-D536 PolarHBondContact NE2-OD1 3.42Å
531Q89.8Confident91.6Very high10 Ų1022.8 Ų22.85%0.04714%0.142CC..Hα-helixtrans-69.6-41.1179.5-70.6-172.849.200112.8M335 V338 V340 H343 S527 V528 Y529M335-Q531 HydrophobicContact CE-CG 3.88Å; M335-Q531 HydrophobicContact SD-CG 4.27Å; V338-Q531 PolarHBondContact O-NE2 2.79Å; V338-Q531 PolarHBondContact O-OE1 2.67Å; V340-Q531 HydrophobicContact CB-CB 4.22Å; V340-Q531 HydrophobicContact CG2-CB 3.58Å; V340-Q531 HydrophobicContact CG2-CG 4.47Å; H343-Q531 PolarHBondContact CD2-O 3.43Å; H343-Q531 PolarHBondContact NE2-O 2.85Å; S527-Q531 WeakPolarHBondContact O-CG 3.44Å; S527-Q531 PolarHBondContact O-N 3.49Å; S527-Q531 VanDerWaalsContact O-N 3.08Å; S527-Q531 PolarHBondContact OG-NE2 3.06Å; V528-Q531 PolarHBondContact O-N 3.4Å; Y529-Q531 VanDerWaalsContact C-N 3.35Å; Y529-Q531 PolarHBondContact O-N 3.31Å
532I89.8Confident91.6Very high3 Ų323.9 Ų23.92%0.01515%0.148CC..Hα-helixtrans-78.2-24.4-178.170.8179.7000113.4V340 A410 A414 K416 E506 I508 V528 Y529V340-I532 HydrophobicContact CG1-CG2 4.35Å; V340-I532 HydrophobicContact CG2-CG2 4.14Å; A410-I532 HydrophobicContact CB-CD1 4.02Å; A414-I532 HydrophobicContact CB-CD1 3.78Å; A414-I532 HydrophobicContact CB-CG1 4.17Å; K416-I532 PolarHBondContact NZ-O 3.29Å; E506-I532 WeakPolarHBondContact OE1-CG2 3.39Å; I508-I532 HydrophobicContact CD1-CG2 4.05Å; V528-I532 HydrophobicContact CG1-CD1 4.46Å; V528-I532 HydrophobicContact CG1-CG2 4Å; V528-I532 WeakPolarHBondContact O-CG1 3.44Å; V528-I532 WeakPolarHBondContact O-CG2 3.32Å; V528-I532 PolarHBondContact O-N 3Å; Y529-I532 WeakPolarHBondContact O-CG1 3.26Å; Y529-I532 PolarHBondContact O-N 3.13Å
533T90.2Very high91.6Very high51 Ų5123.9 Ų23.931%0.31315%0.148SC..Hα-helixtrans-89.7-23.917558.20000112.2A414 Y529 Q530 Q535A414-T533 HydrophobicContact CB-CG2 3.73Å; Y529-T533 HydrophobicContact CD1-CG2 4.39Å; Y529-T533 HydrophobicContact CD2-CG2 4.09Å; Y529-T533 HydrophobicContact CE1-CG2 4.07Å; Y529-T533 HydrophobicContact CE2-CG2 3.79Å; Y529-T533 HydrophobicContact CG-CG2 4.4Å; Y529-T533 WeakPolarHBondContact O-CB 3.45Å; Y529-T533 VanDerWaalsContact O-CG2 3.29Å; Y529-T533 WeakPolarHBondContact O-CG2 3.31Å; Y529-T533 PolarHBondContact O-N 3.48Å; Y529-T533 PolarHBondContact O-OG1 2.79Å; Q530-T533 PolarHBondContact O-OG1 3.28Å; T533-Q535 PolarHBondContact O-N 3.38Å; T533-Q535 PolarHBondContact OG1-N 3.5Å
534G86.7Confident91.7Very high59 Ų5923.9 Ų23.961%0.60815%0.148SC*.  trans70.310.4-171.800000113.8Q530Q530-G534 WeakPolarHBondContact O-CA 3.06Å; Q530-G534 PolarHBondContact O-N 3.42Å
535Q86.1Confident91.7Very high72 Ų7224 Ų2434%0.33615%0.149SC..  trans-87.9119.2-177.2-173.61804.800111.1Q530 T533 L537 E622Q530-Q535 VanDerWaalsContact CG-O 3.28Å; Q530-Q535 WeakPolarHBondContact CG-O 3.37Å; Q530-Q535 PolarHBondContact NE2-O 2.92Å; Q530-Q535 PolarHBondContact O-N 3.34Å; T533-Q535 PolarHBondContact O-N 3.38Å; T533-Q535 PolarHBondContact OG1-N 3.5Å; Q535-L537 VanDerWaalsContact CD-CD2 3.5Å; Q535-L537 HydrophobicContact CG-CD2 3.89Å; Q535-L537 HydrophobicContact CG-CG 4.19Å; Q535-L537 VanDerWaalsContact NE2-CD2 3.34Å; Q535-L537 PolarHBondContact O-N 3Å; Q535-E622 PolarHBondContact NE2-OE1 3.28Å; Q535-E622 VanDerWaalsContact NE2-OE1 3.12Å
536D87.5Confident91.6Very high70 Ų7024 Ų2437%0.37415%0.149SC..  trans-77.3101.2168.1-166.4-5.5000110.3S347 Q530 L538 N539S347-D536 PolarHBondContact OG-OD2 2.68Å; Q530-D536 PolarHBondContact NE2-OD1 3.42Å; D536-L538 PolarHBondContact OD1-N 3.43Å; D536-N539 PolarHBondContact O-OD1 2.94Å; D536-N539 PolarHBondContact OD1-N 3.17Å
537L89.7Confident91.6Very high4 Ų424 Ų242%0.02115%0.149CC..  trans-87.1-15174.8-67.9177.4000112.4L526 Y529 Q535 R541 I618 L621 E622L526-L537 HydrophobicContact CD1-CD1 4.1Å; Y529-L537 HydrophobicContact CD1-CD1 3.99Å; Y529-L537 HydrophobicContact CE1-CD1 3.86Å; Q535-L537 VanDerWaalsContact CD-CD2 3.5Å; Q535-L537 HydrophobicContact CG-CD2 3.89Å; Q535-L537 HydrophobicContact CG-CG 4.19Å; Q535-L537 VanDerWaalsContact NE2-CD2 3.34Å; Q535-L537 PolarHBondContact O-N 3Å; L537-R541 PolarHBondContact O-NH2 2.89Å; L537-I618 HydrophobicContact CD1-CD1 3.61Å; L537-I618 HydrophobicContact CD1-CG2 4.3Å; L537-L621 HydrophobicContact CB-CB 4.07Å; L537-L621 HydrophobicContact CB-CD1 4.11Å; L537-L621 HydrophobicContact CD1-CD1 4.5Å; L537-E622 HydrophobicContact CD2-CG 3.58Å
538L91.3Very high91.5Very high1 Ų125.2 Ų25.21%0.00516%0.157CC..SBendtrans-88.8-29.7-170-58.5173.6000111.1S349 I351 D536 G540 R541 V543 L621S349-L538 VanDerWaalsContact CB-CD1 3.47Å; S349-L538 WeakPolarHBondContact OG-CB 3.49Å; I351-L538 HydrophobicContact CD1-CD1 4.11Å; I351-L538 HydrophobicContact CG1-CD1 3.56Å; I351-L538 HydrophobicContact CG1-CD2 4.26Å; I351-L538 HydrophobicContact CG1-CG 4.49Å; D536-L538 PolarHBondContact OD1-N 3.43Å; L538-G540 VanDerWaalsContact C-N 3.26Å; L538-G540 PolarHBondContact O-N 2.92Å; L538-R541 WeakPolarHBondContact O-CB 3.37Å; L538-R541 VanDerWaalsContact O-CG 3.29Å; L538-R541 WeakPolarHBondContact O-CG 3.26Å; L538-R541 PolarHBondContact O-N 3.44Å; L538-R541 PolarHBondContact O-NE 3.45Å; L538-V543 HydrophobicContact CD2-CB 3.78Å; L538-V543 HydrophobicContact CD2-CG1 4.46Å; L538-V543 HydrophobicContact CD2-CG2 3.45Å; L538-V543 VanDerWaalsContact CD2-CG2 3.45Å; L538-L621 HydrophobicContact CD2-CD1 4.32Å
539N87.5Confident91.6Very high84 Ų8425.6 Ų25.645%0.44916%0.159SC..THydrogen-bonded Turntrans51.841.9175.4-64.8-30.3000113.4D536 G625D536-N539 PolarHBondContact O-OD1 2.94Å; D536-N539 PolarHBondContact OD1-N 3.17Å; N539-G625 WeakPolarHBondContact CB-OXT 3.28Å; N539-G625 VanDerWaalsContact ND2-C 3.34Å; N539-G625 WeakPolarHBondContact ND2-CA 3.14Å; N539-G625 PolarHBondContact ND2-OXT 3.34Å
540G89.1Confident91.4Very high49 Ų4929.3 Ų29.351%0.50518%0.177SC..THydrogen-bonded Turntrans84.15.4-179.900000115.1S349 L538S349-G540 WeakPolarHBondContact OG-CA 3.21Å; S349-G540 PolarHBondContact OG-N 3.1Å; L538-G540 VanDerWaalsContact C-N 3.26Å; L538-G540 PolarHBondContact O-N 2.92Å
541R92.3Very high91.2Very high42 Ų4233.2 Ų33.216%0.15820%0.201CC..  trans-89.2147.8178.8-61173.1-68.6-169.5-2.8111.7S349 L537 L538 V543 D574 L621 N624S349-R541 WeakPolarHBondContact CB-O 3.48Å; L537-R541 PolarHBondContact O-NH2 2.89Å; L538-R541 WeakPolarHBondContact O-CB 3.37Å; L538-R541 VanDerWaalsContact O-CG 3.29Å; L538-R541 WeakPolarHBondContact O-CG 3.26Å; L538-R541 PolarHBondContact O-N 3.44Å; L538-R541 PolarHBondContact O-NE 3.45Å; R541-V543 HydrophobicContact CB-CG2 4.48Å; R541-D574 VanDerWaalsContact CA-OD2 3.29Å; R541-D574 WeakPolarHBondContact CA-OD2 2.97Å; R541-D574 HydrophobicContact CB-CB 4.36Å; R541-D574 WeakPolarHBondContact CB-OD2 3.25Å; R541-L621 PolarHBondContact NH2-O 2.84Å; R541-N624 PolarHBondContact NH1-O 2.79Å
542T95.3Very high91.2Very high23 Ų2337.2 Ų37.214%0.14122%0.223CC..EExtended strand (participates in β ladder)trans-91.8112.2168.2-65.50000109E350 L352 A573 D574E350-T542 HydrophobicContact CB-CG2 4.21Å; L352-T542 HydrophobicContact CD1-CG2 3.33Å; L352-T542 HydrophobicContact CD2-CG2 4.46Å; L352-T542 HydrophobicContact CG-CG2 3.7Å; T542-A573 HydrophobicContact CG2-CB 4.18Å; T542-A573 CarbonylContact O-C 3.52Å; T542-A573 WeakPolarHBondContact O-CA 3.29Å; T542-D574 PolarHBondContact N-OD2 2.83Å; T542-D574 PolarHBondContact O-N 2.9Å
543V96.5Very high91.4Very high0 Ų037.1 Ų37.10%022%0.223CC..EExtended strand (participates in β ladder)trans-107.1122.4-176.6168.90000109.5E350 I351 L352 L526 L538 R541 I575 F577 L621E350-V543 PolarHBondContact O-N 2.84Å; I351-V543 CarbonylContact C-O 3.54Å; I351-V543 WeakPolarHBondContact CA-O 3.43Å; L352-V543 PolarHBondContact N-O 3.48Å; L526-V543 HydrophobicContact CD2-CG1 4.43Å; L538-V543 HydrophobicContact CD2-CB 3.78Å; L538-V543 HydrophobicContact CD2-CG1 4.46Å; L538-V543 HydrophobicContact CD2-CG2 3.45Å; L538-V543 VanDerWaalsContact CD2-CG2 3.45Å; R541-V543 HydrophobicContact CB-CG2 4.48Å; V543-I575 HydrophobicContact CG2-CB 4.36Å; V543-I575 HydrophobicContact CG2-CD1 4.19Å; V543-F577 HydrophobicContact CG1-CD2 3.57Å; V543-F577 HydrophobicContact CG1-CE2 3.32Å; V543-L621 HydrophobicContact CG2-CD2 4.07Å
544A96.9Very high91.6Very high0 Ų036.5 Ų36.50%022%0.22CC..EExtended strand (participates in β ladder)trans-105.9161.6171.100000111.4L352 A568 A573 I575 F576 F577L352-A544 HydrophobicContact CB-CB 3.88Å; L352-A544 WeakPolarHBondContact O-CA 3.23Å; A544-A568 HydrophobicContact CB-CB 3.54Å; A544-A573 HydrophobicContact CB-CB 3.63Å; A544-I575 PolarHBondContact N-O 2.79Å; A544-F576 HydrophobicContact CB-CD2 3.77Å; A544-F576 HydrophobicContact CB-CE2 4.39Å; A544-F576 CarbonylContact O-C 3.57Å; A544-F576 VanDerWaalsContact O-CA 3.24Å; A544-F576 WeakPolarHBondContact O-CA 3.3Å; A544-F577 PolarHBondContact O-N 2.81Å
545G95.7Very high91.9Very high1 Ų133.7 Ų33.71%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-177.2-178.3170.300000113.9L352 T354 F577L352-G545 PolarHBondContact O-N 3.05Å; T354-G545 PolarHBondContact OG1-O 2.8Å; G545-F577 VanDerWaalsContact CA-O 3.26Å; G545-F577 WeakPolarHBondContact CA-O 3.18Å
546T94.2Very high92.1Very high1 Ų130.9 Ų30.91%0.00618%0.182CC..  trans-155.1157.7173.5-1620000111.5S519 V558 I561 K564 F576 F577 P579S519-T546 PolarHBondContact O-OG1 3.28Å; T546-V558 HydrophobicContact CG2-CG2 3.41Å; T546-V558 VanDerWaalsContact CG2-CG2 3.41Å; T546-V558 WeakPolarHBondContact OG1-CG2 3.36Å; T546-I561 HydrophobicContact CG2-CD1 3.61Å; T546-K564 HydrophobicContact CG2-CD 3.98Å; T546-K564 PolarHBondContact OG1-NZ 3.03Å; T546-F576 HydrophobicContact CG2-CE1 4.28Å; T546-F576 HydrophobicContact CG2-CZ 3.99Å; T546-F577 PolarHBondContact N-O 2.98Å; T546-F577 VanDerWaalsContact N-O 3.09Å; T546-P579 VanDerWaalsContact O-CD 3.24Å; T546-P579 WeakPolarHBondContact O-CD 3.39Å; T546-P579 VanDerWaalsContact O-CG 3.3Å; T546-P579 WeakPolarHBondContact O-CG 3.25Å
547G93.6Very high92.2Very high0 Ų030.6 Ų30.60%018%0.18CC..  trans155.5141.517800000110.7S519 G521 A522 G556S519-G547 CarbonylContact C-O 3.59Å; S519-G547 PolarHBondContact O-N 3.37Å; G521-G547 PolarHBondContact N-O 2.85Å; A522-G547 PolarHBondContact N-O 2.93Å; A522-G547 VanDerWaalsContact N-O 3.14Å; G547-G556 WeakPolarHBondContact CA-O 3.36Å
548T92.6Very high92.1Very high27 Ų2731.3 Ų31.317%0.16619%0.185CC..EExtended strand (participates in β ladder)trans-72.3155.1165.960.70000108.7P518 V555 G556 V558P518-T548 HydrophobicContact CB-CG2 3.91Å; P518-T548 HydrophobicContact CG-CG2 3.99Å; P518-T548 WeakPolarHBondContact O-CA 3.29Å; T548-V555 CarbonylContact O-C 3.56Å; T548-V555 WeakPolarHBondContact O-CA 3.44Å; T548-G556 PolarHBondContact N-O 3.14Å; T548-G556 PolarHBondContact O-N 2.82Å; T548-G556 VanDerWaalsContact OG1-CA 3.24Å; T548-G556 WeakPolarHBondContact OG1-CA 3.3Å; T548-V558 HydrophobicContact CG2-CG1 4.08Å
549I93.8Very high91.7Very high7 Ų734 Ų344%0.03621%0.212CC..EExtended strand (participates in β ladder)trans-117.2130.6175.5-172.757.7000109.7T405 A406 E409 G553 M614T405-I549 HydrophobicContact CG2-CB 4.49Å; T405-I549 HydrophobicContact CG2-CG1 4.18Å; T405-I549 HydrophobicContact CG2-CG2 3.92Å; T405-I549 WeakPolarHBondContact CG2-O 3.26Å; A406-I549 HydrophobicContact CB-CG2 4.43Å; E409-I549 HydrophobicContact CB-CG1 4.3Å; E409-I549 HydrophobicContact CG-CD1 4.17Å; E409-I549 HydrophobicContact CG-CG1 4.29Å; I549-G553 WeakPolarHBondContact CD1-O 3.48Å; I549-M614 HydrophobicContact CD1-CG 3.37Å; I549-M614 HydrophobicContact CD1-SD 4.23Å; I549-M614 HydrophobicContact CG1-CG 4.38Å
550E90.6Very high91.6Very high100 Ų10030.9 Ų30.947%0.46720%0.201SC..  trans-100.4160.6173.9-62.3-57.7153.500110.8T405 N552 G553 S554T405-E550 VanDerWaalsContact CG2-C 3.46Å; E550-N552 WeakPolarHBondContact CB-OD1 3.23Å; E550-N552 PolarHBondContact O-N 3.47Å; E550-G553 PolarHBondContact O-N 3.34Å; E550-G553 VanDerWaalsContact O-N 3.09Å; E550-S554 PolarHBondContact N-O 3.11Å; E550-S554 VanDerWaalsContact N-O 3.12Å
551T87Confident91.7Very high93 Ų9328.6 Ų28.657%0.57118%0.177SC*.THydrogen-bonded Turntrans-68.3-3.8-176.154.10000114.6T405 M408T405-T551 HydrophobicContact CG2-CG2 3.97Å; M408-T551 HydrophobicContact CE-CG2 4.32Å
552N88.9Confident91.6Very high95 Ų9527.9 Ų27.951%0.50818%0.178SC..THydrogen-bonded Turntrans-104.64.6176.669.3-24.6000112.9R412 E550 S554R412-N552 PolarHBondContact NH2-O 3.42Å; E550-N552 WeakPolarHBondContact CB-OD1 3.23Å; E550-N552 PolarHBondContact O-N 3.47Å; N552-S554 PolarHBondContact ND2-OG 2.91Å; N552-S554 WeakPolarHBondContact OD1-CB 3.5Å; N552-S554 PolarHBondContact OD1-N 2.85Å; N552-S554 VanDerWaalsContact OD1-N 3.15Å; N552-S554 PolarHBondContact OD1-OG 3.45Å
553G93.4Very high91.4Very high0 Ų027 Ų270%017%0.172CC..SBendtrans93.6-13.2-176.900000115.5E409 I549 E550 V555 D613 M614E409-G553 WeakPolarHBondContact OE1-CA 3.28Å; E409-G553 PolarHBondContact OE2-N 3.04Å; I549-G553 WeakPolarHBondContact CD1-O 3.48Å; E550-G553 PolarHBondContact O-N 3.34Å; E550-G553 VanDerWaalsContact O-N 3.09Å; G553-V555 PolarHBondContact O-N 2.91Å; G553-D613 WeakPolarHBondContact O-CA 3.28Å; G553-M614 PolarHBondContact O-N 3.1Å
554S94.3Very high91.3Very high38 Ų3827.1 Ų27.127%0.26617%0.173SC..BIsolated β-bridgetrans-67.5135.8-174.3-57.90000112.5E550 N552 D613E550-S554 PolarHBondContact N-O 3.11Å; E550-S554 VanDerWaalsContact N-O 3.12Å; N552-S554 PolarHBondContact ND2-OG 2.91Å; N552-S554 WeakPolarHBondContact OD1-CB 3.5Å; N552-S554 PolarHBondContact OD1-N 2.85Å; N552-S554 VanDerWaalsContact OD1-N 3.15Å; N552-S554 PolarHBondContact OD1-OG 3.45Å; S554-D613 PolarHBondContact N-OD2 2.82Å
555V94.7Very high91.2Very high0 Ų027.1 Ų27.10%017%0.173CC..EExtended strand (participates in β ladder)trans-96.1113.7179.8-179.60000110A522 T548 G553 P579 V611 G612 M614A522-V555 HydrophobicContact CB-CG1 4.11Å; A522-V555 HydrophobicContact CB-CG2 4.19Å; T548-V555 CarbonylContact O-C 3.56Å; T548-V555 WeakPolarHBondContact O-CA 3.44Å; G553-V555 PolarHBondContact O-N 2.91Å; V555-P579 HydrophobicContact CG1-CB 4.31Å; V555-P579 HydrophobicContact CG1-CG 4.04Å; V555-V611 HydrophobicContact CB-CG2 4.42Å; V555-V611 HydrophobicContact CG1-CG2 3.98Å; V555-G612 PolarHBondContact N-O 3.43Å; V555-M614 HydrophobicContact CG2-CG 4.22Å; V555-M614 HydrophobicContact CG2-SD 4.15Å
556G90.2Very high91.1Very high14 Ų1429.7 Ų29.714%0.14418%0.182CC..EExtended strand (participates in β ladder)trans-90160.5-174.200000115G547 T548 P579G547-G556 WeakPolarHBondContact CA-O 3.36Å; T548-G556 PolarHBondContact N-O 3.14Å; T548-G556 PolarHBondContact O-N 2.82Å; T548-G556 VanDerWaalsContact OG1-CA 3.24Å; T548-G556 WeakPolarHBondContact OG1-CA 3.3Å; G556-P579 WeakPolarHBondContact O-CB 3.44Å; G556-P579 VanDerWaalsContact O-CG 3.25Å; G556-P579 WeakPolarHBondContact O-CG 3.33Å
557L89.7Confident91Very high64 Ų6429.9 Ų29.934%0.33518%0.184SC..  trans-65.4151.9178-59.6179.2000112.3P579 L581 N591L557-P579 HydrophobicContact CD2-CB 4.04Å; L557-L581 HydrophobicContact CD1-CD1 4.03Å; L557-L581 HydrophobicContact CD2-CD1 4.33Å; L557-L581 HydrophobicContact CD2-CG 4.31Å; L557-L581 HydrophobicContact CG-CD1 3.89Å; L557-L581 HydrophobicContact CG-CG 4.37Å; L557-N591 HydrophobicContact CD2-CB 3.94Å
558V85.8Confident91.1Very high18 Ų1829.9 Ų29.911%0.10918%0.184CC..  trans-143152.7-179.1-58.20000111.3S519 T546 T548 I561 N591S519-V558 VanDerWaalsContact CB-CG1 3.41Å; T546-V558 HydrophobicContact CG2-CG2 3.41Å; T546-V558 VanDerWaalsContact CG2-CG2 3.41Å; T546-V558 WeakPolarHBondContact OG1-CG2 3.36Å; T548-V558 HydrophobicContact CG2-CG1 4.08Å; V558-I561 HydrophobicContact CG2-CD1 3.82Å; V558-N591 WeakPolarHBondContact CG2-ND2 3.43Å; V558-N591 PolarHBondContact N-ND2 2.76Å; V558-N591 PolarHBondContact O-ND2 2.8Å; V558-N591 PolarHBondContact O-OD1 2.97Å
559G83.2Confident91.2Very high57 Ų5731.5 Ų31.559%0.58819%0.19SC*.SBendtrans-80.1161.2174.800000114K564G559-K564 PolarHBondContact O-NZ 3.48Å
560G86.5Confident91.2Very high20 Ų2035.5 Ų35.521%0.20621%0.211CC..  trans79.132.216900000114.9Q563 K564G560-Q563 PolarHBondContact O-N 3.16Å; G560-Q563 PolarHBondContact O-OE1 2.94Å; G560-K564 WeakPolarHBondContact O-CG 3.3Å; G560-K564 PolarHBondContact O-N 3.5Å; G560-K564 VanDerWaalsContact O-N 3.07Å
561I90.6Very high91.3Very high0 Ų032.9 Ų32.90%020%0.204CC..Hα-helixtrans-57-45.7-178.6-67.8-57.4000113.3T546 V558 Q563 K564 V565 N591 E594 A595T546-I561 HydrophobicContact CG2-CD1 3.61Å; V558-I561 HydrophobicContact CG2-CD1 3.82Å; I561-Q563 VanDerWaalsContact C-N 3.29Å; I561-Q563 PolarHBondContact O-N 3.4Å; I561-K564 PolarHBondContact O-N 3.17Å; I561-K564 VanDerWaalsContact O-N 3.07Å; I561-V565 HydrophobicContact CG2-CG2 4.06Å; I561-V565 WeakPolarHBondContact O-CG2 3.44Å; I561-V565 PolarHBondContact O-N 2.98Å; I561-N591 HydrophobicContact CD1-CB 4.18Å; I561-N591 WeakPolarHBondContact CD1-ND2 3.35Å; I561-N591 HydrophobicContact CG1-CB 3.96Å; I561-E594 HydrophobicContact CB-CB 4.13Å; I561-E594 HydrophobicContact CG2-CB 3.78Å; I561-A595 HydrophobicContact CG2-CB 3.63Å
562P91.1Very high91.6Very high27 Ų2736.4 Ų36.418%0.17521%0.214CC..Hα-helixtrans-57.4-41.9178-26.735.4000113.6Y374 K564 Y566 V598Y374-P562 HydrophobicContact CD1-CB 4.02Å; P562-K564 VanDerWaalsContact C-N 3.34Å; P562-Y566 WeakPolarHBondContact O-CB 3.42Å; P562-Y566 PolarHBondContact O-N 3.06Å; P562-Y566 VanDerWaalsContact O-N 3.11Å; P562-V598 HydrophobicContact CB-CG2 3.65Å; P562-V598 HydrophobicContact CG-CG2 3.89Å
563Q90.1Very high92Very high4 Ų432.2 Ų32.22%0.01919%0.192CC..Hα-helixtrans-67.5-36.4178.1-69.877.124.400112.2T326 P328 V356 Y374 N376 G560 I561 A567T326-Q563 HydrophobicContact CG2-CG 4.29Å; P328-Q563 HydrophobicContact CG-CB 4.28Å; P328-Q563 HydrophobicContact CG-CG 4.48Å; V356-Q563 HydrophobicContact CG1-CB 3.73Å; V356-Q563 HydrophobicContact CG1-CG 4.46Å; Y374-Q563 PolarHBondContact O-NE2 3.23Å; N376-Q563 PolarHBondContact ND2-NE2 2.7Å; G560-Q563 PolarHBondContact O-N 3.16Å; G560-Q563 PolarHBondContact O-OE1 2.94Å; I561-Q563 VanDerWaalsContact C-N 3.29Å; I561-Q563 PolarHBondContact O-N 3.4Å; Q563-A567 WeakPolarHBondContact O-CB 3.37Å; Q563-A567 PolarHBondContact O-N 2.75Å
564K94.2Very high92.1Very high4 Ų435.9 Ų35.92%0.01721%0.212CC..Hα-helixtrans-73.2-43.7-179-74.7178.4174.2-179.70112.5T354 V356 S519 T546 G559 G560 I561 P562 Y566 A567 A568 F576T354-K564 WeakPolarHBondContact OG1-CB 3.39Å; T354-K564 WeakPolarHBondContact OG1-CG 3.42Å; V356-K564 HydrophobicContact CG1-CG 4.12Å; S519-K564 VanDerWaalsContact CB-NZ 3.32Å; S519-K564 PolarHBondContact OG-NZ 2.79Å; S519-K564 VanDerWaalsContact OG-NZ 3.16Å; T546-K564 HydrophobicContact CG2-CD 3.98Å; T546-K564 PolarHBondContact OG1-NZ 3.03Å; G559-K564 PolarHBondContact O-NZ 3.48Å; G560-K564 WeakPolarHBondContact O-CG 3.3Å; G560-K564 PolarHBondContact O-N 3.5Å; G560-K564 VanDerWaalsContact O-N 3.07Å; I561-K564 PolarHBondContact O-N 3.17Å; I561-K564 VanDerWaalsContact O-N 3.07Å; P562-K564 VanDerWaalsContact C-N 3.34Å; K564-Y566 VanDerWaalsContact C-N 3.34Å; K564-A567 WeakPolarHBondContact O-CB 3.1Å; K564-A567 PolarHBondContact O-N 2.9Å; K564-A568 PolarHBondContact O-N 2.83Å; K564-F576 HydrophobicContact CB-CE2 4.35Å; K564-F576 HydrophobicContact CB-CZ 4.02Å
565V95.1Very high92.3Very high0 Ų034.2 Ų34.20%020%0.2CC..Hα-helixtrans-63.1-43.2174.9174.20000110.5I561 A567 A568 H569 F576 A595 V598 I602 M606 I608I561-V565 HydrophobicContact CG2-CG2 4.06Å; I561-V565 WeakPolarHBondContact O-CG2 3.44Å; I561-V565 PolarHBondContact O-N 2.98Å; V565-A567 VanDerWaalsContact C-N 3.32Å; V565-A567 PolarHBondContact O-N 2.72Å; V565-A568 PolarHBondContact O-N 3.34Å; V565-H569 WeakPolarHBondContact O-CB 3.13Å; V565-H569 PolarHBondContact O-N 3.17Å; V565-F576 HydrophobicContact CG2-CD1 3.95Å; V565-F576 HydrophobicContact CG2-CE1 3.73Å; V565-F576 HydrophobicContact CG2-CE2 4.4Å; V565-F576 HydrophobicContact CG2-CG 4.38Å; V565-F576 HydrophobicContact CG2-CZ 3.98Å; V565-A595 HydrophobicContact CG2-CB 3.65Å; V565-V598 HydrophobicContact CB-CB 4.36Å; V565-V598 HydrophobicContact CB-CG1 3.86Å; V565-V598 HydrophobicContact CG1-CB 4.16Å; V565-V598 HydrophobicContact CG1-CG1 3.69Å; V565-I602 HydrophobicContact CG1-CD1 4.37Å; V565-M606 HydrophobicContact CG1-CE 3.73Å; V565-I608 HydrophobicContact CG1-CD1 4.3Å
566Y93.4Very high92.4Very high54 Ų5434.2 Ų34.221%0.21220%0.2CC..Hα-helixtrans-63.2-37.2174.7-170.4-96.6000112.7P328 Y374 P562 K564 N570 I602P328-Y566 HydrophobicContact CB-CD1 4.33Å; P328-Y566 HydrophobicContact CG-CD1 3.58Å; P328-Y566 HydrophobicContact CG-CE1 4.36Å; P328-Y566 HydrophobicContact CG-CG 4.37Å; Y374-Y566 HydrophobicContact CD2-CD1 4.4Å; Y374-Y566 AromaticContact CD2-CD2 3.1Å; Y374-Y566 HydrophobicContact CD2-CD2 3.1Å; Y374-Y566 AromaticContact CD2-CE2 3.46Å; Y374-Y566 HydrophobicContact CD2-CE2 3.46Å; Y374-Y566 VanDerWaalsContact CD2-CE2 3.46Å; Y374-Y566 AromaticContact CD2-CG 3.63Å; Y374-Y566 HydrophobicContact CD2-CG 3.63Å; Y374-Y566 AromaticContact CE2-CD2 3.4Å; Y374-Y566 HydrophobicContact CE2-CD2 3.4Å; Y374-Y566 AromaticContact CE2-CE2 3.71Å; Y374-Y566 HydrophobicContact CE2-CE2 3.71Å; Y374-Y566 HydrophobicContact CE2-CG 4.3Å; Y374-Y566 AromaticContact CG-CD2 3.9Å; Y374-Y566 HydrophobicContact CG-CD2 3.9Å; Y374-Y566 AromaticContact CG-CG 3.99Å; Y374-Y566 HydrophobicContact CG-CG 3.99Å; P562-Y566 WeakPolarHBondContact O-CB 3.42Å; P562-Y566 PolarHBondContact O-N 3.06Å; P562-Y566 VanDerWaalsContact O-N 3.11Å; K564-Y566 VanDerWaalsContact C-N 3.34Å; Y566-N570 WeakPolarHBondContact CD1-ND2 3.45Å; Y566-N570 WeakPolarHBondContact CE1-ND2 3.27Å; Y566-N570 PolarHBondContact O-N 3.04Å; Y566-N570 VanDerWaalsContact O-N 3.12Å; Y566-N570 PolarHBondContact O-ND2 3.43Å; Y566-I602 HydrophobicContact CD2-CG2 4.06Å; Y566-I602 HydrophobicContact CE2-CG2 4.43Å
567A93Very high92.8Very high5 Ų533.6 Ų33.64%0.04119%0.193CC..Hα-helixtrans-65.4-45.9175.100000111.7P328 V331 T354 Q563 K564 V565 H569 N570 S571P328-A567 HydrophobicContact CB-CB 4.21Å; V331-A567 HydrophobicContact CG2-CB 3.8Å; T354-A567 HydrophobicContact CG2-CB 4.37Å; Q563-A567 WeakPolarHBondContact O-CB 3.37Å; Q563-A567 PolarHBondContact O-N 2.75Å; K564-A567 WeakPolarHBondContact O-CB 3.1Å; K564-A567 PolarHBondContact O-N 2.9Å; V565-A567 VanDerWaalsContact C-N 3.32Å; V565-A567 PolarHBondContact O-N 2.72Å; A567-H569 PolarHBondContact O-N 3.13Å; A567-N570 PolarHBondContact O-N 2.77Å; A567-S571 PolarHBondContact O-N 3.19Å; A567-S571 VanDerWaalsContact O-N 3.07Å; A567-S571 PolarHBondContact O-OG 3.44Å
568A95.8Very high93.1Very high0 Ų030.5 Ų30.50%018%0.177CC..Hα-helixtrans-61.2-42.9176.600000112.5T354 A544 K564 V565 S571 Q572 A573 F576 M606T354-A568 HydrophobicContact CG2-CB 4.01Å; A544-A568 HydrophobicContact CB-CB 3.54Å; K564-A568 PolarHBondContact O-N 2.83Å; V565-A568 PolarHBondContact O-N 3.34Å; A568-S571 CarbonylContact O-C 3.56Å; A568-S571 WeakPolarHBondContact O-CA 3.43Å; A568-S571 PolarHBondContact O-N 2.81Å; A568-S571 VanDerWaalsContact O-N 3.14Å; A568-Q572 PolarHBondContact O-N 3.06Å; A568-A573 HydrophobicContact CB-CB 4.18Å; A568-A573 PolarHBondContact O-N 2.72Å; A568-A573 VanDerWaalsContact O-N 3.1Å; A568-F576 HydrophobicContact CB-CD2 3.49Å; A568-F576 VanDerWaalsContact CB-CD2 3.49Å; A568-F576 HydrophobicContact CB-CE2 3.9Å; A568-M606 HydrophobicContact CB-CE 4.07Å; A568-M606 HydrophobicContact CB-SD 3.67Å
569H94.9Very high93.5Very high62 Ų6229.7 Ų29.729%0.28717%0.172SC..Hα-helixtrans-59.2-47.1175.1171.772.2000112.3V565 A567 S571 Q572 I602 T604 M606V565-H569 WeakPolarHBondContact O-CB 3.13Å; V565-H569 PolarHBondContact O-N 3.17Å; A567-H569 PolarHBondContact O-N 3.13Å; H569-S571 PolarHBondContact O-N 3.08Å; H569-Q572 PolarHBondContact O-N 3.03Å; H569-I602 HydrophobicContact CB-CD1 3.73Å; H569-T604 VanDerWaalsContact ND1-CB 3.27Å; H569-T604 WeakPolarHBondContact ND1-CB 3.06Å; H569-T604 PolarHBondContact ND1-OG1 3.23Å; H569-M606 HydrophobicContact CB-CE 4.44Å
570N92.5Very high93.9Very high91 Ų9130 Ų3049%0.48716%0.156SC..Hα-helixtrans-66.1-23.8177.1-70.5-41.6000113.3Y566 A567Y566-N570 WeakPolarHBondContact CD1-ND2 3.45Å; Y566-N570 WeakPolarHBondContact CE1-ND2 3.27Å; Y566-N570 PolarHBondContact O-N 3.04Å; Y566-N570 VanDerWaalsContact O-N 3.12Å; Y566-N570 PolarHBondContact O-ND2 3.43Å; A567-N570 PolarHBondContact O-N 2.77Å
571S93.8Very high93.8Very high45 Ų4533.3 Ų33.332%0.31517%0.169SC..THydrogen-bonded Turntrans-87.610.7172-670000113A567 A568 H569 A573A567-S571 PolarHBondContact O-N 3.19Å; A567-S571 VanDerWaalsContact O-N 3.07Å; A567-S571 PolarHBondContact O-OG 3.44Å; A568-S571 CarbonylContact O-C 3.56Å; A568-S571 WeakPolarHBondContact O-CA 3.43Å; A568-S571 PolarHBondContact O-N 2.81Å; A568-S571 VanDerWaalsContact O-N 3.14Å; H569-S571 PolarHBondContact O-N 3.08Å; S571-A573 VanDerWaalsContact C-N 3.27Å; S571-A573 PolarHBondContact O-N 3.49Å
572Q93.7Very high92.9Very high166 Ų16635.9 Ų35.978%0.77620%0.195SC*.THydrogen-bonded Turntrans57.535.4175.6-51.6-176.6-92.500113.9A568 H569A568-Q572 PolarHBondContact O-N 3.06Å; H569-Q572 PolarHBondContact O-N 3.03Å
573A96.4Very high91.4Very high7 Ų737.7 Ų37.76%0.05820%0.203CC..  trans-66.2138.5174.700000111.7L352 T542 A544 A568 S571 M606L352-A573 HydrophobicContact CD1-CB 4.33Å; T542-A573 HydrophobicContact CG2-CB 4.18Å; T542-A573 CarbonylContact O-C 3.52Å; T542-A573 WeakPolarHBondContact O-CA 3.29Å; A544-A573 HydrophobicContact CB-CB 3.63Å; A568-A573 HydrophobicContact CB-CB 4.18Å; A568-A573 PolarHBondContact O-N 2.72Å; A568-A573 VanDerWaalsContact O-N 3.1Å; S571-A573 VanDerWaalsContact C-N 3.27Å; S571-A573 PolarHBondContact O-N 3.49Å; A573-M606 HydrophobicContact CB-CG 4.45Å; A573-M606 HydrophobicContact CB-SD 3.72Å; A573-M606 VanDerWaalsContact O-CB 3.25Å; A573-M606 WeakPolarHBondContact O-CB 3.4Å; A573-M606 WeakPolarHBondContact O-CG 3.31Å
574D96.2Very high89.6Confident77 Ų7745.3 Ų45.341%0.41224%0.239SC..SBendtrans-78.7-34.7175.6-61.1-65000111.6R541 T542 M606 K607R541-D574 VanDerWaalsContact CA-OD2 3.29Å; R541-D574 WeakPolarHBondContact CA-OD2 2.97Å; R541-D574 HydrophobicContact CB-CB 4.36Å; R541-D574 WeakPolarHBondContact CB-OD2 3.25Å; T542-D574 PolarHBondContact N-OD2 2.83Å; T542-D574 PolarHBondContact O-N 2.9Å; D574-M606 WeakPolarHBondContact O-CA 3.36Å; D574-K607 PolarHBondContact O-N 2.91Å
575I97.3Very high87.5Confident4 Ų452 Ų522%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-133.3139.8-174.9-61.6159.7000109.1V543 A544 F577 K607 V609 Y620 L621V543-I575 HydrophobicContact CG2-CB 4.36Å; V543-I575 HydrophobicContact CG2-CD1 4.19Å; A544-I575 PolarHBondContact N-O 2.79Å; I575-F577 HydrophobicContact CG2-CD1 4.31Å; I575-F577 HydrophobicContact CG2-CD2 4.28Å; I575-F577 HydrophobicContact CG2-CE1 4.02Å; I575-F577 HydrophobicContact CG2-CE2 4Å; I575-F577 HydrophobicContact CG2-CG 4.43Å; I575-F577 HydrophobicContact CG2-CZ 3.85Å; I575-K607 CarbonylContact C-O 3.39Å; I575-K607 WeakPolarHBondContact CA-O 3.24Å; I575-K607 HydrophobicContact CG1-CB 4.48Å; I575-V609 HydrophobicContact CG2-CG2 3.78Å; I575-Y620 HydrophobicContact CD1-CE1 3.95Å; I575-Y620 HydrophobicContact CG1-CE1 4.45Å; I575-Y620 HydrophobicContact CG2-CE1 4.34Å; I575-L621 HydrophobicContact CD1-CD2 4.26Å
576F97.9Very high85.2Confident0 Ų055.7 Ų55.70%031%0.308CS..EExtended strand (participates in β ladder)trans-123112.1167.9-169.7-88.9000110.8T354 A544 T546 K564 V565 A568 A578 M606 K607 I608 V609T354-F576 HydrophobicContact CG2-CE2 4.14Å; A544-F576 HydrophobicContact CB-CD2 3.77Å; A544-F576 HydrophobicContact CB-CE2 4.39Å; A544-F576 CarbonylContact O-C 3.57Å; A544-F576 VanDerWaalsContact O-CA 3.24Å; A544-F576 WeakPolarHBondContact O-CA 3.3Å; T546-F576 HydrophobicContact CG2-CE1 4.28Å; T546-F576 HydrophobicContact CG2-CZ 3.99Å; K564-F576 HydrophobicContact CB-CE2 4.35Å; K564-F576 HydrophobicContact CB-CZ 4.02Å; V565-F576 HydrophobicContact CG2-CD1 3.95Å; V565-F576 HydrophobicContact CG2-CE1 3.73Å; V565-F576 HydrophobicContact CG2-CE2 4.4Å; V565-F576 HydrophobicContact CG2-CG 4.38Å; V565-F576 HydrophobicContact CG2-CZ 3.98Å; A568-F576 HydrophobicContact CB-CD2 3.49Å; A568-F576 VanDerWaalsContact CB-CD2 3.49Å; A568-F576 HydrophobicContact CB-CE2 3.9Å; F576-A578 HydrophobicContact CD1-CB 4.05Å; F576-A578 HydrophobicContact CE1-CB 4.02Å; F576-M606 HydrophobicContact CB-CE 3.81Å; F576-M606 HydrophobicContact CB-CG 4.16Å; F576-M606 HydrophobicContact CB-SD 3.72Å; F576-M606 HydrophobicContact CD2-CE 4.45Å; F576-M606 HydrophobicContact CD2-SD 4.47Å; F576-M606 HydrophobicContact CG-CE 4.33Å; F576-K607 PolarHBondContact N-O 2.92Å; F576-I608 HydrophobicContact CB-CD1 3.72Å; F576-I608 HydrophobicContact CD1-CD1 4.4Å; F576-I608 HydrophobicContact CG-CD1 4.36Å; F576-V609 PolarHBondContact O-N 2.83Å
577F97.8Very high82.7Confident0 Ų056.4 Ų56.40%032%0.319CS..EExtended strand (participates in β ladder)trans-80.1122173-66.7-64.5000111.1M523 V543 A544 G545 T546 I575 V609 V611 I617 Y620 L621M523-F577 HydrophobicContact CE-CB 4.19Å; M523-F577 HydrophobicContact CE-CD2 4.03Å; V543-F577 HydrophobicContact CG1-CD2 3.57Å; V543-F577 HydrophobicContact CG1-CE2 3.32Å; A544-F577 PolarHBondContact O-N 2.81Å; G545-F577 VanDerWaalsContact CA-O 3.26Å; G545-F577 WeakPolarHBondContact CA-O 3.18Å; T546-F577 PolarHBondContact N-O 2.98Å; T546-F577 VanDerWaalsContact N-O 3.09Å; I575-F577 HydrophobicContact CG2-CD1 4.31Å; I575-F577 HydrophobicContact CG2-CD2 4.28Å; I575-F577 HydrophobicContact CG2-CE1 4.02Å; I575-F577 HydrophobicContact CG2-CE2 4Å; I575-F577 HydrophobicContact CG2-CG 4.43Å; I575-F577 HydrophobicContact CG2-CZ 3.85Å; F577-V609 HydrophobicContact CD1-CB 3.68Å; F577-V609 HydrophobicContact CD1-CG1 3.82Å; F577-V609 HydrophobicContact CD1-CG2 4.45Å; F577-V609 HydrophobicContact CE1-CB 3.86Å; F577-V609 HydrophobicContact CE1-CG1 3.74Å; F577-V609 HydrophobicContact CE1-CG2 4.27Å; F577-V611 HydrophobicContact CB-CG1 4.02Å; F577-V611 HydrophobicContact CB-CG2 4.23Å; F577-V611 HydrophobicContact CD1-CG1 3.49Å; F577-V611 VanDerWaalsContact CD1-CG1 3.49Å; F577-V611 HydrophobicContact CE1-CG1 4.32Å; F577-V611 HydrophobicContact CG-CG1 4.11Å; F577-I617 HydrophobicContact CB-CD1 4.48Å; F577-I617 HydrophobicContact CB-CG1 4.47Å; F577-I617 HydrophobicContact CD1-CG1 4.04Å; F577-I617 HydrophobicContact CD2-CG1 4.36Å; F577-I617 HydrophobicContact CD2-CG2 4.14Å; F577-I617 HydrophobicContact CE1-CG1 4.34Å; F577-I617 HydrophobicContact CE1-CG2 4.46Å; F577-I617 HydrophobicContact CE2-CG2 3.77Å; F577-I617 HydrophobicContact CG-CD1 4.46Å; F577-I617 HydrophobicContact CG-CG1 4.05Å; F577-I617 HydrophobicContact CZ-CG2 3.97Å; F577-Y620 AromaticContact CE1-CD1 3.71Å; F577-Y620 HydrophobicContact CE1-CD1 3.71Å; F577-Y620 HydrophobicContact CE1-CE1 4.35Å; F577-Y620 HydrophobicContact CE1-CG 4.12Å; F577-Y620 AromaticContact CZ-CD1 3.8Å; F577-Y620 HydrophobicContact CZ-CD1 3.8Å; F577-Y620 HydrophobicContact CZ-CE1 4.44Å; F577-L621 HydrophobicContact CE2-CD1 4.29Å; F577-L621 HydrophobicContact CE2-CD2 4.19Å; F577-L621 HydrophobicContact CE2-CG 4.28Å; F577-L621 HydrophobicContact CZ-CD1 4.36Å; F577-L621 HydrophobicContact CZ-CD2 3.92Å; F577-L621 HydrophobicContact CZ-CG 3.91Å
578A95.8Very high80.5Confident0 Ų065.2 Ų65.20%036%0.356CS..EExtended strand (participates in β ladder)trans-123.9131.5-175.800000111.7F576 Y580 Y592 A595 I608 V609 P610 V611F576-A578 HydrophobicContact CD1-CB 4.05Å; F576-A578 HydrophobicContact CE1-CB 4.02Å; A578-Y580 PolarHBondContact O-N 3.19Å; A578-Y592 HydrophobicContact CB-CD2 4.47Å; A578-A595 HydrophobicContact CB-CB 3.9Å; A578-I608 HydrophobicContact CB-CG2 4.32Å; A578-V609 PolarHBondContact N-O 3.41Å; A578-P610 WeakPolarHBondContact O-CA 3.37Å; A578-V611 WeakPolarHBondContact O-CG2 3.36Å; A578-V611 PolarHBondContact O-N 3.34Å
579P94.8Very high78.8Confident0 Ų065.4 Ų65.40%036%0.358CS..EExtended strand (participates in β ladder)trans-58137.1-177.5-27.236.1000113.3T546 V555 G556 L557 N591 Y592 V611T546-P579 VanDerWaalsContact O-CD 3.24Å; T546-P579 WeakPolarHBondContact O-CD 3.39Å; T546-P579 VanDerWaalsContact O-CG 3.3Å; T546-P579 WeakPolarHBondContact O-CG 3.25Å; V555-P579 HydrophobicContact CG1-CB 4.31Å; V555-P579 HydrophobicContact CG1-CG 4.04Å; G556-P579 WeakPolarHBondContact O-CB 3.44Å; G556-P579 VanDerWaalsContact O-CG 3.25Å; G556-P579 WeakPolarHBondContact O-CG 3.33Å; L557-P579 HydrophobicContact CD2-CB 4.04Å; P579-N591 HydrophobicContact CB-CB 4.22Å; P579-N591 VanDerWaalsContact O-CB 3.3Å; P579-N591 WeakPolarHBondContact O-CB 3.4Å; P579-Y592 PolarHBondContact O-N 2.78Å; P579-V611 CarbonylContact C-O 3.37Å; P579-V611 VanDerWaalsContact CA-O 3.27Å; P579-V611 WeakPolarHBondContact CA-O 3.13Å
580Y92.1Very high77.8Confident63 Ų6365.6 Ų65.625%0.24736%0.363CS..  trans-144.5122.7-179.5-178.7-113.7000110.5A578 G582 N583 Y592 F593 P610 V611 G612A578-Y580 PolarHBondContact O-N 3.19Å; Y580-G582 VanDerWaalsContact CE1-CA 3.48Å; Y580-N583 PolarHBondContact OH-O 3.38Å; Y580-Y592 HydrophobicContact CD2-CD1 4.13Å; Y580-Y592 HydrophobicContact CD2-CG 4.42Å; Y580-Y592 HydrophobicContact CE2-CD1 4.49Å; Y580-F593 HydrophobicContact CD2-CE2 4.43Å; Y580-F593 AromaticContact CE2-CE2 3.79Å; Y580-F593 HydrophobicContact CE2-CE2 3.79Å; Y580-F593 AromaticContact CE2-CZ 3.89Å; Y580-F593 HydrophobicContact CE2-CZ 3.89Å; Y580-P610 HydrophobicContact CD1-CB 4.01Å; Y580-P610 HydrophobicContact CG-CB 3.89Å; Y580-V611 PolarHBondContact N-O 2.93Å; Y580-G612 WeakPolarHBondContact O-CA 3.33Å
581L84.3Confident77.7Confident91 Ų9161.6 Ų61.648%0.47634%0.342SS..  trans-103.324.6-175.4-61.3-179.4000113.3L557 N583 S589L557-L581 HydrophobicContact CD1-CD1 4.03Å; L557-L581 HydrophobicContact CD2-CD1 4.33Å; L557-L581 HydrophobicContact CD2-CG 4.31Å; L557-L581 HydrophobicContact CG-CD1 3.89Å; L557-L581 HydrophobicContact CG-CG 4.37Å; L581-N583 VanDerWaalsContact C-N 3.31Å; L581-N583 PolarHBondContact O-N 2.76Å; L581-S589 PolarHBondContact N-OG 3.21Å; L581-S589 VanDerWaalsContact N-OG 3.11Å
582G70.2Confident77.7Confident54 Ų5461.2 Ų61.256%0.55733%0.334SS*.SBendtrans77.82170.500000116.8Y580Y580-G582 VanDerWaalsContact CE1-CA 3.48Å
583N60.1Low77.6Confident64 Ų6455.3 Ų55.334%0.34231%0.305SS..  trans-86.2141.3-179.5-66.5-19.3000112Y580 L581 T587Y580-N583 PolarHBondContact OH-O 3.38Å; L581-N583 VanDerWaalsContact C-N 3.31Å; L581-N583 PolarHBondContact O-N 2.76Å; N583-T587 WeakPolarHBondContact CB-O 3.28Å; N583-T587 PolarHBondContact ND2-O 3.09Å
584E52.5Low77.2Confident164 Ų16458.3 Ų58.377%0.76632%0.318SS*.  trans-52149173.6-66.6-176.6172.600112.2G586 T587E584-G586 PolarHBondContact O-N 3.04Å; E584-T587 PolarHBondContact O-N 2.95Å; E584-T587 PolarHBondContact O-OG1 2.85Å; E584-T587 VanDerWaalsContact O-OG1 3.11Å
585E49.2Very low77.1Confident145 Ų14554.7 Ų54.768%0.67830%0.299SS*.THydrogen-bonded Turntrans-52.7100.3178.4-155.3166.8-128.600109.7F593E585-F593 HydrophobicContact CB-CE1 3.86Å; E585-F593 HydrophobicContact CB-CE2 4.3Å; E585-F593 HydrophobicContact CB-CZ 3.74Å; E585-F593 HydrophobicContact CG-CD1 3.7Å; E585-F593 HydrophobicContact CG-CE1 3.49Å; E585-F593 VanDerWaalsContact CG-CE1 3.49Å; E585-F593 HydrophobicContact CG-CE2 4.35Å; E585-F593 HydrophobicContact CG-CG 4.24Å; E585-F593 HydrophobicContact CG-CZ 3.85Å; E585-F593 VanDerWaalsContact OE1-CD1 3.25Å; E585-F593 WeakPolarHBondContact OE1-CD1 3.4Å; E585-F593 VanDerWaalsContact OE1-CE1 3.24Å; E585-F593 WeakPolarHBondContact OE1-CE1 3.43Å
586G46.6Very low76.9Confident78 Ų7858.8 Ų58.880%0.80431%0.314SS*.THydrogen-bonded Turntrans126.5-8.8-175.600000116.4E584E584-G586 PolarHBondContact O-N 3.04Å
587T41.9Very low76.6Confident69 Ų6965.1 Ų65.142%0.42334%0.342SS..SBendtrans-123.1114.9177.727.10000113.1N583 E584 S589N583-T587 WeakPolarHBondContact CB-O 3.28Å; N583-T587 PolarHBondContact ND2-O 3.09Å; E584-T587 PolarHBondContact O-N 2.95Å; E584-T587 PolarHBondContact O-OG1 2.85Å; E584-T587 VanDerWaalsContact O-OG1 3.11Å; T587-S589 PolarHBondContact O-N 3.14Å
588F47.2Very low76.3Confident189 Ų18965.5 Ų65.583%0.82934%0.344SS*.SBendtrans47.9-16.4166.8-67.4-76.4000121.8
589S59.5Low76.2Confident5 Ų566.1 Ų66.14%0.03535%0.349CS..  trans-106.2111.2173.9-167.30000110.1L581 T587 F593L581-S589 PolarHBondContact N-OG 3.21Å; L581-S589 VanDerWaalsContact N-OG 3.11Å; T587-S589 PolarHBondContact O-N 3.14Å; S589-F593 WeakPolarHBondContact O-CD2 3.36Å
590T74.3Confident76.1Confident66 Ų6671.9 Ų71.941%0.40538%0.376SS..  trans-109.9-22.4-172.266.20000114Y592 F593 E594T590-Y592 PolarHBondContact O-N 3.48Å; T590-F593 PolarHBondContact O-N 2.82Å; T590-E594 WeakPolarHBondContact CB-OE1 3.39Å; T590-E594 VanDerWaalsContact O-CB 3.23Å; T590-E594 WeakPolarHBondContact O-CB 3.06Å; T590-E594 VanDerWaalsContact O-CG 3.22Å; T590-E594 WeakPolarHBondContact O-CG 3.32Å; T590-E594 PolarHBondContact O-N 3.34Å; T590-E594 PolarHBondContact OG1-OE1 3Å
591N90.5Very high76.1Confident6 Ų673.7 Ų73.73%0.03239%0.39CS..Hα-helixtrans-62.4-51.7-168.2-80.135.4000114.6L557 V558 I561 P579 E594 A595L557-N591 HydrophobicContact CD2-CB 3.94Å; V558-N591 WeakPolarHBondContact CG2-ND2 3.43Å; V558-N591 PolarHBondContact N-ND2 2.76Å; V558-N591 PolarHBondContact O-ND2 2.8Å; V558-N591 PolarHBondContact O-OD1 2.97Å; I561-N591 HydrophobicContact CD1-CB 4.18Å; I561-N591 WeakPolarHBondContact CD1-ND2 3.35Å; I561-N591 HydrophobicContact CG1-CB 3.96Å; P579-N591 HydrophobicContact CB-CB 4.22Å; P579-N591 VanDerWaalsContact O-CB 3.3Å; P579-N591 WeakPolarHBondContact O-CB 3.4Å; N591-E594 PolarHBondContact O-N 2.8Å; N591-A595 WeakPolarHBondContact O-CB 3.41Å; N591-A595 PolarHBondContact O-N 2.8Å
592Y92.8Very high76.4Confident37 Ų3770.9 Ų70.915%0.14538%0.375CS..Hα-helixtrans-61.4-44.3177.9169.9-110.6000112.8A578 P579 Y580 T590 A595 R596 I608 P610A578-Y592 HydrophobicContact CB-CD2 4.47Å; P579-Y592 PolarHBondContact O-N 2.78Å; Y580-Y592 HydrophobicContact CD2-CD1 4.13Å; Y580-Y592 HydrophobicContact CD2-CG 4.42Å; Y580-Y592 HydrophobicContact CE2-CD1 4.49Å; T590-Y592 PolarHBondContact O-N 3.48Å; Y592-A595 WeakPolarHBondContact O-CB 3.45Å; Y592-A595 PolarHBondContact O-N 3.27Å; Y592-R596 HydrophobicContact CD2-CG 4.36Å; Y592-R596 HydrophobicContact CE1-CG 4.41Å; Y592-R596 HydrophobicContact CE2-CG 3.9Å; Y592-R596 PolarHBondContact O-N 2.88Å; Y592-R596 VanDerWaalsContact OH-CD 3.28Å; Y592-R596 WeakPolarHBondContact OH-CD 3.47Å; Y592-I608 HydrophobicContact CD2-CG2 3.88Å; Y592-I608 HydrophobicContact CE2-CG2 3.92Å; Y592-P610 HydrophobicContact CD1-CB 4.13Å; Y592-P610 HydrophobicContact CD2-CB 3.61Å; Y592-P610 HydrophobicContact CD2-CG 4.27Å; Y592-P610 HydrophobicContact CE1-CB 4.23Å; Y592-P610 HydrophobicContact CE1-CG 4.44Å; Y592-P610 HydrophobicContact CE2-CB 3.74Å; Y592-P610 VanDerWaalsContact CE2-CD 3.41Å; Y592-P610 HydrophobicContact CE2-CG 3.87Å; Y592-P610 HydrophobicContact CG-CB 3.8Å
593F91Very high77.4Confident42 Ų4276.7 Ų76.718%0.18439%0.388CS..Hα-helixtrans-68.4-39.2178.7-61.5-65.1000112.4Y580 E585 S589 T590 A595 R596 K597Y580-F593 HydrophobicContact CD2-CE2 4.43Å; Y580-F593 AromaticContact CE2-CE2 3.79Å; Y580-F593 HydrophobicContact CE2-CE2 3.79Å; Y580-F593 AromaticContact CE2-CZ 3.89Å; Y580-F593 HydrophobicContact CE2-CZ 3.89Å; E585-F593 HydrophobicContact CB-CE1 3.86Å; E585-F593 HydrophobicContact CB-CE2 4.3Å; E585-F593 HydrophobicContact CB-CZ 3.74Å; E585-F593 HydrophobicContact CG-CD1 3.7Å; E585-F593 HydrophobicContact CG-CE1 3.49Å; E585-F593 VanDerWaalsContact CG-CE1 3.49Å; E585-F593 HydrophobicContact CG-CE2 4.35Å; E585-F593 HydrophobicContact CG-CG 4.24Å; E585-F593 HydrophobicContact CG-CZ 3.85Å; E585-F593 VanDerWaalsContact OE1-CD1 3.25Å; E585-F593 WeakPolarHBondContact OE1-CD1 3.4Å; E585-F593 VanDerWaalsContact OE1-CE1 3.24Å; E585-F593 WeakPolarHBondContact OE1-CE1 3.43Å; S589-F593 WeakPolarHBondContact O-CD2 3.36Å; T590-F593 PolarHBondContact O-N 2.82Å; F593-A595 VanDerWaalsContact C-N 3.3Å; F593-A595 PolarHBondContact O-N 2.87Å; F593-R596 PolarHBondContact O-N 3.47Å; F593-K597 WeakPolarHBondContact O-CB 3.19Å; F593-K597 PolarHBondContact O-N 3.34Å
594E89.1Confident79Confident71 Ų7174.9 Ų74.933%0.33238%0.379SS..Hα-helixtrans-59.1-43.1170.4-78.3177.6-143.700110.9I561 T590 N591 V598I561-E594 HydrophobicContact CB-CB 4.13Å; I561-E594 HydrophobicContact CG2-CB 3.78Å; T590-E594 WeakPolarHBondContact CB-OE1 3.39Å; T590-E594 VanDerWaalsContact O-CB 3.23Å; T590-E594 WeakPolarHBondContact O-CB 3.06Å; T590-E594 VanDerWaalsContact O-CG 3.22Å; T590-E594 WeakPolarHBondContact O-CG 3.32Å; T590-E594 PolarHBondContact O-N 3.34Å; T590-E594 PolarHBondContact OG1-OE1 3Å; N591-E594 PolarHBondContact O-N 2.8Å; E594-V598 WeakPolarHBondContact O-CG2 3.41Å; E594-V598 PolarHBondContact O-N 3.46Å; E594-V598 VanDerWaalsContact O-N 3.08Å
595A93.8Very high81Confident0 Ų076.3 Ų76.30%039%0.385CS..Hα-helixtrans-65.9-44.2179.700000111.8I561 V565 A578 N591 Y592 F593 V598 A599 I608I561-A595 HydrophobicContact CG2-CB 3.63Å; V565-A595 HydrophobicContact CG2-CB 3.65Å; A578-A595 HydrophobicContact CB-CB 3.9Å; N591-A595 WeakPolarHBondContact O-CB 3.41Å; N591-A595 PolarHBondContact O-N 2.8Å; Y592-A595 WeakPolarHBondContact O-CB 3.45Å; Y592-A595 PolarHBondContact O-N 3.27Å; F593-A595 VanDerWaalsContact C-N 3.3Å; F593-A595 PolarHBondContact O-N 2.87Å; A595-V598 PolarHBondContact O-N 2.85Å; A595-A599 WeakPolarHBondContact O-CB 3.09Å; A595-A599 PolarHBondContact O-N 3.39Å; A595-I608 HydrophobicContact CB-CG2 3.69Å
596R93.8Very high83.2Confident90 Ų9069.8 Ų69.834%0.3436%0.355SS..Hα-helixtrans-61-47.8175.6-82.8-168.656.1-167.6-6.9112.6Y592 F593 V598 A599 E600 I608Y592-R596 HydrophobicContact CD2-CG 4.36Å; Y592-R596 HydrophobicContact CE1-CG 4.41Å; Y592-R596 HydrophobicContact CE2-CG 3.9Å; Y592-R596 PolarHBondContact O-N 2.88Å; Y592-R596 VanDerWaalsContact OH-CD 3.28Å; Y592-R596 WeakPolarHBondContact OH-CD 3.47Å; F593-R596 PolarHBondContact O-N 3.47Å; R596-V598 VanDerWaalsContact C-N 3.26Å; R596-V598 PolarHBondContact O-N 3.31Å; R596-A599 WeakPolarHBondContact O-CB 3Å; R596-A599 PolarHBondContact O-N 2.98Å; R596-A599 VanDerWaalsContact O-N 3.13Å; R596-E600 IonicContact NH2-OE1 3.85Å; R596-E600 WeakPolarHBondContact O-CG 3.5Å; R596-E600 PolarHBondContact O-N 3.33Å; R596-I608 HydrophobicContact CG-CB 4.04Å; R596-I608 HydrophobicContact CG-CG2 3.92Å
597K91.3Very high85.6Confident134 Ų13471.9 Ų71.958%0.58334%0.342SS*.Hα-helixtrans-56.7-43.9177.1-176.5178.4179.1179.50111.3F593 E600 D601F593-K597 WeakPolarHBondContact O-CB 3.19Å; F593-K597 PolarHBondContact O-N 3.34Å; K597-E600 PolarHBondContact O-N 3.34Å; K597-D601 WeakPolarHBondContact O-CB 3.48Å; K597-D601 PolarHBondContact O-N 2.82Å
598V91.5Very high88.2Confident8 Ų869.8 Ų69.85%0.04833%0.328CS..Hα-helixtrans-66.7-39.7178.5172.90000111.5Y374 P562 V565 E594 A595 R596 D601 I602Y374-V598 HydrophobicContact CD1-CG1 4.24Å; Y374-V598 HydrophobicContact CE1-CB 4.43Å; Y374-V598 HydrophobicContact CE1-CG1 3.6Å; Y374-V598 HydrophobicContact CE1-CG2 4.25Å; P562-V598 HydrophobicContact CB-CG2 3.65Å; P562-V598 HydrophobicContact CG-CG2 3.89Å; V565-V598 HydrophobicContact CB-CB 4.36Å; V565-V598 HydrophobicContact CB-CG1 3.86Å; V565-V598 HydrophobicContact CG1-CB 4.16Å; V565-V598 HydrophobicContact CG1-CG1 3.69Å; E594-V598 WeakPolarHBondContact O-CG2 3.41Å; E594-V598 PolarHBondContact O-N 3.46Å; E594-V598 VanDerWaalsContact O-N 3.08Å; A595-V598 PolarHBondContact O-N 2.85Å; R596-V598 VanDerWaalsContact C-N 3.26Å; R596-V598 PolarHBondContact O-N 3.31Å; V598-D601 PolarHBondContact O-N 3.24Å; V598-I602 VanDerWaalsContact O-CG1 3.32Å; V598-I602 WeakPolarHBondContact O-CG1 3.42Å; V598-I602 PolarHBondContact O-N 3.13Å
599A93.9Very high90.5Very high12 Ų1261.2 Ų61.210%0.09929%0.291CS..Hα-helixtrans-62.9-40.6176.400000112.4A595 R596 Q603 T604 I608A595-A599 WeakPolarHBondContact O-CB 3.09Å; A595-A599 PolarHBondContact O-N 3.39Å; R596-A599 WeakPolarHBondContact O-CB 3Å; R596-A599 PolarHBondContact O-N 2.98Å; R596-A599 VanDerWaalsContact O-N 3.13Å; A599-Q603 PolarHBondContact O-N 3.27Å; A599-T604 HydrophobicContact CB-CG2 3.63Å; A599-T604 PolarHBondContact O-N 2.91Å; A599-I608 HydrophobicContact CB-CD1 3.88Å; A599-I608 HydrophobicContact CB-CG1 3.5Å
600E93.3Very high92.2Very high121 Ų12163.3 Ų63.357%0.56530%0.304SS*.Hα-helixtrans-64.4-45.4173-70.7170-166.600111.1R596 K597 I602 Q603R596-E600 IonicContact NH2-OE1 3.85Å; R596-E600 WeakPolarHBondContact O-CG 3.5Å; R596-E600 PolarHBondContact O-N 3.33Å; K597-E600 PolarHBondContact O-N 3.34Å; E600-I602 PolarHBondContact O-N 2.82Å; E600-Q603 PolarHBondContact O-N 3.12Å
601D90.3Very high93.2Very high102 Ų10260.2 Ų60.255%0.54529%0.286SS..Hα-helixtrans-62.2-38.5179.6-72.9-20.7000112.8Y374 K597 V598Y374-D601 WeakPolarHBondContact OH-CB 3.46Å; K597-D601 WeakPolarHBondContact O-CB 3.48Å; K597-D601 PolarHBondContact O-N 2.82Å; V598-D601 PolarHBondContact O-N 3.24Å
602I91.9Very high93.3Very high31 Ų3161 Ų6116%0.15930%0.295CS..Hα-helixtrans-89.5-4.3176.967.9-170.6000114.3Y374 V565 Y566 H569 V598 E600 T604Y374-I602 HydrophobicContact CE1-CG2 4.46Å; Y374-I602 HydrophobicContact CE2-CG2 3.36Å; Y374-I602 WeakPolarHBondContact OH-CG2 3.23Å; V565-I602 HydrophobicContact CG1-CD1 4.37Å; Y566-I602 HydrophobicContact CD2-CG2 4.06Å; Y566-I602 HydrophobicContact CE2-CG2 4.43Å; H569-I602 HydrophobicContact CB-CD1 3.73Å; V598-I602 VanDerWaalsContact O-CG1 3.32Å; V598-I602 WeakPolarHBondContact O-CG1 3.42Å; V598-I602 PolarHBondContact O-N 3.13Å; E600-I602 PolarHBondContact O-N 2.82Å; I602-T604 VanDerWaalsContact C-N 3.3Å; I602-T604 HydrophobicContact CD1-CG2 3.95Å; I602-T604 HydrophobicContact CG1-CG2 3.88Å; I602-T604 PolarHBondContact O-N 2.98Å
603Q91.4Very high93.4Very high177 Ų17760.8 Ų60.883%0.82730%0.297SS*.THydrogen-bonded Turntrans53.342.8-176.8-51.9-173.6-56.500113.5A599 E600A599-Q603 PolarHBondContact O-N 3.27Å; E600-Q603 PolarHBondContact O-N 3.12Å
604T93.6Very high93.7Very high25 Ų2558.8 Ų58.815%0.15329%0.288CS..  trans-77.4145.2179.8-174.90000112H569 A599 I602 M606H569-T604 VanDerWaalsContact ND1-CB 3.27Å; H569-T604 WeakPolarHBondContact ND1-CB 3.06Å; H569-T604 PolarHBondContact ND1-OG1 3.23Å; A599-T604 HydrophobicContact CB-CG2 3.63Å; A599-T604 PolarHBondContact O-N 2.91Å; I602-T604 VanDerWaalsContact C-N 3.3Å; I602-T604 HydrophobicContact CD1-CG2 3.95Å; I602-T604 HydrophobicContact CG1-CG2 3.88Å; I602-T604 PolarHBondContact O-N 2.98Å; T604-M606 VanDerWaalsContact C-N 3.25Å; T604-M606 HydrophobicContact CG2-CB 3.94Å; T604-M606 HydrophobicContact CG2-CE 4.36Å; T604-M606 WeakPolarHBondContact OG1-CB 3.44Å; T604-M606 PolarHBondContact OG1-N 3.34Å; T604-M606 VanDerWaalsContact OG1-N 3.13Å
605E93.6Very high93.9Very high194 Ų19457.4 Ų57.491%0.90729%0.288SS*.  trans-76.7-15.5169.3-62.4-174.9168.300112.4K607E605-K607 PolarHBondContact O-N 2.94Å
606M96.3Very high93.9Very high8 Ų860.4 Ų60.44%0.03930%0.304CS..SBendtrans-55.9124176.7-176.4176.965.800111.7V565 A568 H569 A573 D574 F576 T604 I608V565-M606 HydrophobicContact CG1-CE 3.73Å; A568-M606 HydrophobicContact CB-CE 4.07Å; A568-M606 HydrophobicContact CB-SD 3.67Å; H569-M606 HydrophobicContact CB-CE 4.44Å; A573-M606 HydrophobicContact CB-CG 4.45Å; A573-M606 HydrophobicContact CB-SD 3.72Å; A573-M606 VanDerWaalsContact O-CB 3.25Å; A573-M606 WeakPolarHBondContact O-CB 3.4Å; A573-M606 WeakPolarHBondContact O-CG 3.31Å; D574-M606 WeakPolarHBondContact O-CA 3.36Å; F576-M606 HydrophobicContact CB-CE 3.81Å; F576-M606 HydrophobicContact CB-CG 4.16Å; F576-M606 HydrophobicContact CB-SD 3.72Å; F576-M606 HydrophobicContact CD2-CE 4.45Å; F576-M606 HydrophobicContact CD2-SD 4.47Å; F576-M606 HydrophobicContact CG-CE 4.33Å; T604-M606 VanDerWaalsContact C-N 3.25Å; T604-M606 HydrophobicContact CG2-CB 3.94Å; T604-M606 HydrophobicContact CG2-CE 4.36Å; T604-M606 WeakPolarHBondContact OG1-CB 3.44Å; T604-M606 PolarHBondContact OG1-N 3.34Å; T604-M606 VanDerWaalsContact OG1-N 3.13Å; M606-I608 HydrophobicContact CE-CD1 3.84Å
607K96.6Very high94Very high123 Ų12356.1 Ų56.154%0.53529%0.288SS..EExtended strand (participates in β ladder)trans-77123.9179.8-65.8-179.1-178.7176.20111D574 I575 F576 E605D574-K607 PolarHBondContact O-N 2.91Å; I575-K607 CarbonylContact C-O 3.39Å; I575-K607 WeakPolarHBondContact CA-O 3.24Å; I575-K607 HydrophobicContact CG1-CB 4.48Å; F576-K607 PolarHBondContact N-O 2.92Å; E605-K607 PolarHBondContact O-N 2.94Å
608I96.7Very high94.2Very high24 Ų2450.3 Ų50.312%0.12326%0.264CS..EExtended strand (participates in β ladder)trans-90.6119.6173.5-51-54.1000109.6V565 F576 A578 Y592 A595 R596 A599 M606V565-I608 HydrophobicContact CG1-CD1 4.3Å; F576-I608 HydrophobicContact CB-CD1 3.72Å; F576-I608 HydrophobicContact CD1-CD1 4.4Å; F576-I608 HydrophobicContact CG-CD1 4.36Å; A578-I608 HydrophobicContact CB-CG2 4.32Å; Y592-I608 HydrophobicContact CD2-CG2 3.88Å; Y592-I608 HydrophobicContact CE2-CG2 3.92Å; A595-I608 HydrophobicContact CB-CG2 3.69Å; R596-I608 HydrophobicContact CG-CB 4.04Å; R596-I608 HydrophobicContact CG-CG2 3.92Å; A599-I608 HydrophobicContact CB-CD1 3.88Å; A599-I608 HydrophobicContact CB-CG1 3.5Å; M606-I608 HydrophobicContact CE-CD1 3.84Å
609V96.3Very high94.4Very high10 Ų1055.2 Ų55.26%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-116.2127-174.6-176.50000110.1I575 F576 F577 A578 Y620I575-V609 HydrophobicContact CG2-CG2 3.78Å; F576-V609 PolarHBondContact O-N 2.83Å; F577-V609 HydrophobicContact CD1-CB 3.68Å; F577-V609 HydrophobicContact CD1-CG1 3.82Å; F577-V609 HydrophobicContact CD1-CG2 4.45Å; F577-V609 HydrophobicContact CE1-CB 3.86Å; F577-V609 HydrophobicContact CE1-CG1 3.74Å; F577-V609 HydrophobicContact CE1-CG2 4.27Å; A578-V609 PolarHBondContact N-O 3.41Å; V609-Y620 HydrophobicContact CG1-CD1 4.36Å; V609-Y620 HydrophobicContact CG1-CD2 3.7Å; V609-Y620 HydrophobicContact CG1-CE1 4.49Å; V609-Y620 HydrophobicContact CG1-CE2 3.85Å; V609-Y620 HydrophobicContact CG1-CG 3.97Å; V609-Y620 HydrophobicContact CG2-CD1 4.36Å; V609-Y620 HydrophobicContact CG2-CD2 4.38Å; V609-Y620 HydrophobicContact CG2-CE1 3.75Å; V609-Y620 HydrophobicContact CG2-CE2 3.76Å; V609-Y620 VanDerWaalsContact CG2-CZ 3.41Å; V609-Y620 WeakPolarHBondContact CG2-OH 3.46Å
610P94.9Very high94.4Very high48 Ų4857.1 Ų57.131%0.31229%0.291SS..EExtended strand (participates in β ladder)trans-74.8136.6176.630-29.8000110.5A578 Y580 Y592A578-P610 WeakPolarHBondContact O-CA 3.37Å; Y580-P610 HydrophobicContact CD1-CB 4.01Å; Y580-P610 HydrophobicContact CG-CB 3.89Å; Y592-P610 HydrophobicContact CD1-CB 4.13Å; Y592-P610 HydrophobicContact CD2-CB 3.61Å; Y592-P610 HydrophobicContact CD2-CG 4.27Å; Y592-P610 HydrophobicContact CE1-CB 4.23Å; Y592-P610 HydrophobicContact CE1-CG 4.44Å; Y592-P610 HydrophobicContact CE2-CB 3.74Å; Y592-P610 VanDerWaalsContact CE2-CD 3.41Å; Y592-P610 HydrophobicContact CE2-CG 3.87Å; Y592-P610 HydrophobicContact CG-CB 3.8Å
611V94.3Very high94.5Very high1 Ų151.4 Ų51.41%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-135123.4177.9-61.40000111.1V555 F577 A578 P579 Y580 D616 I617V555-V611 HydrophobicContact CB-CG2 4.42Å; V555-V611 HydrophobicContact CG1-CG2 3.98Å; F577-V611 HydrophobicContact CB-CG1 4.02Å; F577-V611 HydrophobicContact CB-CG2 4.23Å; F577-V611 HydrophobicContact CD1-CG1 3.49Å; F577-V611 VanDerWaalsContact CD1-CG1 3.49Å; F577-V611 HydrophobicContact CE1-CG1 4.32Å; F577-V611 HydrophobicContact CG-CG1 4.11Å; A578-V611 WeakPolarHBondContact O-CG2 3.36Å; A578-V611 PolarHBondContact O-N 3.34Å; P579-V611 CarbonylContact C-O 3.37Å; P579-V611 VanDerWaalsContact CA-O 3.27Å; P579-V611 WeakPolarHBondContact CA-O 3.13Å; Y580-V611 PolarHBondContact N-O 2.93Å; V611-D616 HydrophobicContact CG1-CB 4.44Å; V611-I617 HydrophobicContact CB-CD1 4.44Å; V611-I617 HydrophobicContact CB-CG1 4.09Å; V611-I617 HydrophobicContact CG1-CD1 4.26Å; V611-I617 HydrophobicContact CG1-CG1 3.52Å; V611-I617 HydrophobicContact CG2-CD1 4.42Å
612G92.7Very high94.6Very high22 Ų2251.2 Ų51.223%0.22726%0.26CS..SBendtrans-102.6-26.9172.600000112.6V555 Y580 D616V555-G612 PolarHBondContact N-O 3.43Å; Y580-G612 WeakPolarHBondContact O-CA 3.33Å; G612-D616 WeakPolarHBondContact CA-OD2 3.31Å; G612-D616 PolarHBondContact N-OD2 2.85Å
613D95.1Very high94.5Very high34 Ų3455.9 Ų55.918%0.18229%0.285CS..BIsolated β-bridgetrans-139.2159.4-179.3-160-86000111.2G553 S554 A615 D616G553-D613 WeakPolarHBondContact O-CA 3.28Å; S554-D613 PolarHBondContact N-OD2 2.82Å; D613-A615 PolarHBondContact O-N 2.77Å; D613-A615 PolarHBondContact OD1-N 2.82Å; D613-D616 PolarHBondContact N-OD2 2.91Å; D613-D616 WeakPolarHBondContact O-CB 3.19Å; D613-D616 PolarHBondContact O-N 2.94Å
614M96.5Very high94.1Very high0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-62.2-31.1173.1-77.8-61.8-4500112.3E409 L413 A522 T525 L526 I549 G553 V555 D616 I617 I618E409-M614 HydrophobicContact CG-CB 4.4Å; E409-M614 HydrophobicContact CG-CG 4.12Å; L413-M614 HydrophobicContact CD1-CB 3.66Å; A522-M614 HydrophobicContact CB-SD 3.8Å; T525-M614 HydrophobicContact CG2-CE 3.79Å; T525-M614 HydrophobicContact CG2-CG 4.03Å; T525-M614 HydrophobicContact CG2-SD 4.09Å; L526-M614 HydrophobicContact CB-CE 4.26Å; I549-M614 HydrophobicContact CD1-CG 3.37Å; I549-M614 HydrophobicContact CD1-SD 4.23Å; I549-M614 HydrophobicContact CG1-CG 4.38Å; G553-M614 PolarHBondContact O-N 3.1Å; V555-M614 HydrophobicContact CG2-CG 4.22Å; V555-M614 HydrophobicContact CG2-SD 4.15Å; M614-D616 PolarHBondContact O-N 3.34Å; M614-I617 HydrophobicContact CE-CB 4.48Å; M614-I617 HydrophobicContact CE-CD1 4.09Å; M614-I617 WeakPolarHBondContact O-CB 3.4Å; M614-I617 PolarHBondContact O-N 3.07Å; M614-I617 VanDerWaalsContact O-N 3.13Å; M614-I617 HydrophobicContact SD-CD1 3.86Å; M614-I618 PolarHBondContact O-N 2.84Å
615A94.3Very high92.6Very high42 Ų4253.4 Ų53.435%0.34729%0.294SS..Hα-helixtrans-56.3-37.517400000112.1D613 I617 I618 E619D613-A615 PolarHBondContact O-N 2.77Å; D613-A615 PolarHBondContact OD1-N 2.82Å; A615-I617 VanDerWaalsContact C-N 3.29Å; A615-I617 PolarHBondContact O-N 3.22Å; A615-I618 PolarHBondContact O-N 3.45Å; A615-E619 WeakPolarHBondContact O-CB 3.45Å; A615-E619 PolarHBondContact O-N 2.81Å
616D94.6Very high92.5Very high62 Ų6246.4 Ų46.433%0.33226%0.263SS..Hα-helixtrans-62.6-37.5178.9-55.7-30.1000111.8V611 G612 D613 M614 Y620V611-D616 HydrophobicContact CG1-CB 4.44Å; G612-D616 WeakPolarHBondContact CA-OD2 3.31Å; G612-D616 PolarHBondContact N-OD2 2.85Å; D613-D616 PolarHBondContact N-OD2 2.91Å; D613-D616 WeakPolarHBondContact O-CB 3.19Å; D613-D616 PolarHBondContact O-N 2.94Å; M614-D616 PolarHBondContact O-N 3.34Å; D616-Y620 WeakPolarHBondContact O-CB 3.49Å; D616-Y620 PolarHBondContact O-N 3.1Å
617I96Very high92.4Very high0 Ų048.4 Ų48.40%028%0.275CS..Hα-helixtrans-67.2-48178.5-68.5169.5000110A522 M523 L526 F577 V611 M614 A615 Y620 L621A522-I617 HydrophobicContact CB-CD1 4.27Å; M523-I617 HydrophobicContact CE-CD1 3.83Å; L526-I617 HydrophobicContact CD1-CG2 4.03Å; L526-I617 HydrophobicContact CD2-CG2 4Å; L526-I617 HydrophobicContact CG-CG2 4.5Å; F577-I617 HydrophobicContact CB-CD1 4.48Å; F577-I617 HydrophobicContact CB-CG1 4.47Å; F577-I617 HydrophobicContact CD1-CG1 4.04Å; F577-I617 HydrophobicContact CD2-CG1 4.36Å; F577-I617 HydrophobicContact CD2-CG2 4.14Å; F577-I617 HydrophobicContact CE1-CG1 4.34Å; F577-I617 HydrophobicContact CE1-CG2 4.46Å; F577-I617 HydrophobicContact CE2-CG2 3.77Å; F577-I617 HydrophobicContact CG-CD1 4.46Å; F577-I617 HydrophobicContact CG-CG1 4.05Å; F577-I617 HydrophobicContact CZ-CG2 3.97Å; V611-I617 HydrophobicContact CB-CD1 4.44Å; V611-I617 HydrophobicContact CB-CG1 4.09Å; V611-I617 HydrophobicContact CG1-CD1 4.26Å; V611-I617 HydrophobicContact CG1-CG1 3.52Å; V611-I617 HydrophobicContact CG2-CD1 4.42Å; M614-I617 HydrophobicContact CE-CB 4.48Å; M614-I617 HydrophobicContact CE-CD1 4.09Å; M614-I617 WeakPolarHBondContact O-CB 3.4Å; M614-I617 PolarHBondContact O-N 3.07Å; M614-I617 VanDerWaalsContact O-N 3.13Å; M614-I617 HydrophobicContact SD-CD1 3.86Å; A615-I617 VanDerWaalsContact C-N 3.29Å; A615-I617 PolarHBondContact O-N 3.22Å; I617-Y620 PolarHBondContact O-N 3.38Å; I617-L621 HydrophobicContact CG2-CD1 4Å; I617-L621 VanDerWaalsContact O-CG 3.3Å; I617-L621 WeakPolarHBondContact O-CG 3.19Å; I617-L621 PolarHBondContact O-N 2.94Å
618I94.8Very high92.1Very high13 Ų1344.3 Ų44.37%0.06726%0.261CS..Hα-helixtrans-63.6-51.8-178.9-57.3-58.2000109.9L526 Y529 L537 M614 A615 Y620 L621 E622L526-I618 HydrophobicContact CD1-CD1 3.54Å; Y529-I618 HydrophobicContact CD1-CD1 3.62Å; Y529-I618 HydrophobicContact CE1-CD1 3.82Å; Y529-I618 HydrophobicContact CE1-CG1 4.48Å; Y529-I618 HydrophobicContact CE1-CG2 4.27Å; Y529-I618 HydrophobicContact CG-CD1 4.16Å; L537-I618 HydrophobicContact CD1-CD1 3.61Å; L537-I618 HydrophobicContact CD1-CG2 4.3Å; M614-I618 PolarHBondContact O-N 2.84Å; A615-I618 PolarHBondContact O-N 3.45Å; I618-Y620 VanDerWaalsContact C-N 3.32Å; I618-Y620 PolarHBondContact O-N 3.31Å; I618-L621 PolarHBondContact O-N 3.42Å; I618-L621 VanDerWaalsContact O-N 3.14Å; I618-E622 HydrophobicContact CG2-CG 4.38Å; I618-E622 WeakPolarHBondContact O-CG 3.32Å; I618-E622 PolarHBondContact O-N 3.09Å
619E94.6Very high91.8Very high111 Ų11145.5 Ų45.552%0.51927%0.269SS..Hα-helixtrans-58-43.5179-177.4178.8-176.500111.7A615 L621 E622 L623A615-E619 WeakPolarHBondContact O-CB 3.45Å; A615-E619 PolarHBondContact O-N 2.81Å; E619-L621 PolarHBondContact O-N 3.2Å; E619-E622 PolarHBondContact O-N 3.39Å; E619-L623 HydrophobicContact CG-CD1 3.77Å; E619-L623 HydrophobicContact CG-CG 4.28Å; E619-L623 WeakPolarHBondContact O-CB 3.16Å; E619-L623 WeakPolarHBondContact O-CG 3.38Å; E619-L623 PolarHBondContact O-N 3.43Å
620Y95.7Very high91.6Very high51 Ų5147.7 Ų47.720%0.228%0.282CS..Hα-helixtrans-62-42.8177.9-178.3-87.5000112.3I575 F577 V609 D616 I617 I618 N624I575-Y620 HydrophobicContact CD1-CE1 3.95Å; I575-Y620 HydrophobicContact CG1-CE1 4.45Å; I575-Y620 HydrophobicContact CG2-CE1 4.34Å; F577-Y620 AromaticContact CE1-CD1 3.71Å; F577-Y620 HydrophobicContact CE1-CD1 3.71Å; F577-Y620 HydrophobicContact CE1-CE1 4.35Å; F577-Y620 HydrophobicContact CE1-CG 4.12Å; F577-Y620 AromaticContact CZ-CD1 3.8Å; F577-Y620 HydrophobicContact CZ-CD1 3.8Å; F577-Y620 HydrophobicContact CZ-CE1 4.44Å; V609-Y620 HydrophobicContact CG1-CD1 4.36Å; V609-Y620 HydrophobicContact CG1-CD2 3.7Å; V609-Y620 HydrophobicContact CG1-CE1 4.49Å; V609-Y620 HydrophobicContact CG1-CE2 3.85Å; V609-Y620 HydrophobicContact CG1-CG 3.97Å; V609-Y620 HydrophobicContact CG2-CD1 4.36Å; V609-Y620 HydrophobicContact CG2-CD2 4.38Å; V609-Y620 HydrophobicContact CG2-CE1 3.75Å; V609-Y620 HydrophobicContact CG2-CE2 3.76Å; V609-Y620 VanDerWaalsContact CG2-CZ 3.41Å; V609-Y620 WeakPolarHBondContact CG2-OH 3.46Å; D616-Y620 WeakPolarHBondContact O-CB 3.49Å; D616-Y620 PolarHBondContact O-N 3.1Å; I617-Y620 PolarHBondContact O-N 3.38Å; I618-Y620 VanDerWaalsContact C-N 3.32Å; I618-Y620 PolarHBondContact O-N 3.31Å; Y620-N624 WeakPolarHBondContact CD2-ND2 3.14Å; Y620-N624 HydrophobicContact CE1-CB 4.49Å; Y620-N624 WeakPolarHBondContact CE2-ND2 3.46Å; Y620-N624 WeakPolarHBondContact O-CB 3.14Å; Y620-N624 PolarHBondContact O-N 2.87Å; Y620-N624 VanDerWaalsContact O-N 3.13Å; Y620-N624 PolarHBondContact O-ND2 3.37Å
621L94.7Very high91.3Very high1 Ų147.7 Ų47.71%0.00528%0.28CS..Hα-helixtrans-69-37.1-179.9-71173.2000112L526 L537 L538 R541 V543 I575 F577 I617 I618 E619 G625L526-L621 HydrophobicContact CD1-CD1 3.91Å; L526-L621 HydrophobicContact CD2-CD1 3.95Å; L537-L621 HydrophobicContact CB-CB 4.07Å; L537-L621 HydrophobicContact CB-CD1 4.11Å; L537-L621 HydrophobicContact CD1-CD1 4.5Å; L538-L621 HydrophobicContact CD2-CD1 4.32Å; R541-L621 PolarHBondContact NH2-O 2.84Å; V543-L621 HydrophobicContact CG2-CD2 4.07Å; I575-L621 HydrophobicContact CD1-CD2 4.26Å; F577-L621 HydrophobicContact CE2-CD1 4.29Å; F577-L621 HydrophobicContact CE2-CD2 4.19Å; F577-L621 HydrophobicContact CE2-CG 4.28Å; F577-L621 HydrophobicContact CZ-CD1 4.36Å; F577-L621 HydrophobicContact CZ-CD2 3.92Å; F577-L621 HydrophobicContact CZ-CG 3.91Å; I617-L621 HydrophobicContact CG2-CD1 4Å; I617-L621 VanDerWaalsContact O-CG 3.3Å; I617-L621 WeakPolarHBondContact O-CG 3.19Å; I617-L621 PolarHBondContact O-N 2.94Å; I618-L621 PolarHBondContact O-N 3.42Å; I618-L621 VanDerWaalsContact O-N 3.14Å; E619-L621 PolarHBondContact O-N 3.2Å; L621-G625 WeakPolarHBondContact O-CA 3.49Å; L621-G625 PolarHBondContact O-N 2.93Å; L621-G625 VanDerWaalsContact O-N 3.1Å
622E91.5Very high91.1Very high99 Ų9951 Ų5146%0.46330%0.299SS..Hα-helixtrans-68.3-44.4176.3-70.8-175148.600112.6Q535 L537 I618 E619Q535-E622 PolarHBondContact NE2-OE1 3.28Å; Q535-E622 VanDerWaalsContact NE2-OE1 3.12Å; L537-E622 HydrophobicContact CD2-CG 3.58Å; I618-E622 HydrophobicContact CG2-CG 4.38Å; I618-E622 WeakPolarHBondContact O-CG 3.32Å; I618-E622 PolarHBondContact O-N 3.09Å; E619-E622 PolarHBondContact O-N 3.39Å
623L89.7Confident91Very high129 Ų12953.2 Ų53.268%0.67531%0.305SS*.Hα-helixtrans-72.7-28.4-178.6-70.7176.9000113.5E619E619-L623 HydrophobicContact CG-CD1 3.77Å; E619-L623 HydrophobicContact CG-CG 4.28Å; E619-L623 WeakPolarHBondContact O-CB 3.16Å; E619-L623 WeakPolarHBondContact O-CG 3.38Å; E619-L623 PolarHBondContact O-N 3.43Å
624N84.6Confident90.7Very high75 Ų7554.8 Ų54.840%0.40132%0.315SS..THydrogen-bonded Turntrans-10716.2-179.1-62.2-82.2000112.6R541 Y620R541-N624 PolarHBondContact NH1-O 2.79Å; Y620-N624 WeakPolarHBondContact CD2-ND2 3.14Å; Y620-N624 HydrophobicContact CE1-CB 4.49Å; Y620-N624 WeakPolarHBondContact CE2-ND2 3.46Å; Y620-N624 WeakPolarHBondContact O-CB 3.14Å; Y620-N624 PolarHBondContact O-N 2.87Å; Y620-N624 VanDerWaalsContact O-N 3.13Å; Y620-N624 PolarHBondContact O-ND2 3.37Å
625G61.2Low90.1Very high75 Ų7559.8 Ų59.877%0.77334%0.344SS*.  trans-59.50-177.800000114.9N539 L621N539-G625 WeakPolarHBondContact CB-OXT 3.28Å; N539-G625 VanDerWaalsContact ND2-C 3.34Å; N539-G625 WeakPolarHBondContact ND2-CA 3.14Å; N539-G625 PolarHBondContact ND2-OXT 3.34Å; L621-G625 WeakPolarHBondContact O-CA 3.49Å; L621-G625 PolarHBondContact O-N 2.93Å; L621-G625 VanDerWaalsContact O-N 3.1Å

Retrieved 625 of 625 residues in 997.1 ms (Link to these results)

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