A0A077Z9L1_TRITR Loading...

FERM C and FERM M domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9L1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 520 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
1M54.4Low87.4Confident201 Ų20189.6 Ų89.699%0.9945%0.452SS*.  01410-73.4175.6172.100109.1M291M1-M291 HydrophobicContact CE-CE 3.68Å; M1-M291 HydrophobicContact CE-SD 3.31Å; M1-M291 WeakPolarHBondContact CE-SD 3.47Å
2C78.8Confident87.9Confident105 Ų10591 Ų9171%0.70946%0.456SS*.  trans-106.7134.4165.2-173.90000107.7
3L85.2Confident88.3Confident162 Ų16289.1 Ų89.185%0.84845%0.448SS*.  trans-100.9141.3173.5-66.1179.3000109.5
4L87Confident88.7Confident81 Ų8184.3 Ų84.342%0.42442%0.424SS..  trans-130.6128.4-170.2-63.2155.8000109.6R6 H280L4-R6 PolarHBondContact O-N 3.09Å; L4-H280 WeakPolarHBondContact CD1-CE1 3.38Å; L4-H280 WeakPolarHBondContact CD1-NE2 3.17Å; L4-H280 WeakPolarHBondContact CD2-NE2 3.22Å
5L90.3Very high88.8Confident125 Ų12583.5 Ų83.565%0.65443%0.43SS*.  trans-69.4127.6173.2-173.262.9000109.9L25L5-L25 HydrophobicContact CD2-CD1 4.28Å; L5-L25 HydrophobicContact CD2-CD2 4.1Å
6R92.8Very high88.9Confident98 Ų9881.1 Ų81.137%0.3742%0.42SS..  trans-142.8144.9179.7-58.9-64.7169.3-128.89.8109.3L4 Q29 R32 H280L4-R6 PolarHBondContact O-N 3.09Å; R6-Q29 VanDerWaalsContact CD-OE1 3.31Å; R6-R32 VanDerWaalsContact NE-NH1 3.16Å; R6-H280 PolarHBondContact NH2-NE2 3.17Å
7I94.1Very high89Confident37 Ų3777.1 Ų77.119%0.1940%0.399CS..  trans-77129.5166.7-52.8-56.9000108F9 F10 F26 Q29I7-F9 VanDerWaalsContact CG2-O 3.29Å; I7-F9 WeakPolarHBondContact CG2-O 3.49Å; I7-F10 HydrophobicContact CB-CE1 4.17Å; I7-F10 HydrophobicContact CB-CE2 4.1Å; I7-F10 HydrophobicContact CB-CZ 3.78Å; I7-F10 HydrophobicContact CG2-CD1 4.2Å; I7-F10 HydrophobicContact CG2-CD2 4.1Å; I7-F10 HydrophobicContact CG2-CE1 4.01Å; I7-F10 HydrophobicContact CG2-CE2 3.9Å; I7-F10 HydrophobicContact CG2-CG 4.25Å; I7-F10 HydrophobicContact CG2-CZ 3.87Å; I7-F26 HydrophobicContact CD1-CD2 3.89Å; I7-F26 HydrophobicContact CD1-CE2 3.88Å; I7-F26 HydrophobicContact CD1-CG 4.43Å; I7-F26 HydrophobicContact CD1-CZ 4.41Å; I7-F26 HydrophobicContact CG1-CD1 4.46Å; I7-F26 HydrophobicContact CG1-CD2 4.23Å; I7-F26 HydrophobicContact CG1-CE2 4.38Å; I7-F26 HydrophobicContact CG1-CG 4.29Å; I7-F26 HydrophobicContact CG2-CD1 4.21Å; I7-F26 HydrophobicContact CG2-CE1 3.63Å; I7-F26 HydrophobicContact CG2-CE2 4.21Å; I7-F26 HydrophobicContact CG2-CZ 3.63Å; I7-Q29 HydrophobicContact CB-CB 4.46Å; I7-Q29 HydrophobicContact CB-CG 4Å; I7-Q29 HydrophobicContact CG1-CB 3.83Å; I7-Q29 HydrophobicContact CG1-CG 3.94Å
8K93.5Very high88.9Confident111 Ų11181.8 Ų81.848%0.48342%0.416SS..  trans-98.9-33.1178.3-177.3176.7174.2-174.20112.7Q212K8-Q212 PolarHBondContact O-NE2 3.04Å
9F95Very high88.9Confident40 Ų4080.3 Ų80.318%0.17541%0.407CS..  trans-126.4124.3-173.3-55.8-71.1000109I7 A211 F215 F216 F242I7-F9 VanDerWaalsContact CG2-O 3.29Å; I7-F9 WeakPolarHBondContact CG2-O 3.49Å; F9-A211 WeakPolarHBondContact CE1-O 3.47Å; F9-F215 HydrophobicContact CB-CD1 3.67Å; F9-F215 HydrophobicContact CB-CE1 3.42Å; F9-F215 VanDerWaalsContact CB-CE1 3.42Å; F9-F215 HydrophobicContact CB-CE2 4.35Å; F9-F215 HydrophobicContact CB-CG 4.24Å; F9-F215 HydrophobicContact CB-CZ 3.79Å; F9-F215 HydrophobicContact CD1-CB 3.57Å; F9-F215 AromaticContact CD1-CD1 3.47Å; F9-F215 HydrophobicContact CD1-CD1 3.47Å; F9-F215 VanDerWaalsContact CD1-CD1 3.47Å; F9-F215 HydrophobicContact CD1-CD2 4.01Å; F9-F215 HydrophobicContact CD1-CE1 4.14Å; F9-F215 AromaticContact CD1-CG 3.39Å; F9-F215 HydrophobicContact CD1-CG 3.39Å; F9-F215 HydrophobicContact CD2-CD1 4.28Å; F9-F215 AromaticContact CD2-CD2 3.73Å; F9-F215 HydrophobicContact CD2-CD2 3.73Å; F9-F215 HydrophobicContact CD2-CE1 4.34Å; F9-F215 AromaticContact CD2-CE2 3.79Å; F9-F215 HydrophobicContact CD2-CE2 3.79Å; F9-F215 AromaticContact CD2-CG 3.99Å; F9-F215 HydrophobicContact CD2-CG 3.99Å; F9-F215 HydrophobicContact CD2-CZ 4.09Å; F9-F215 HydrophobicContact CE1-CB 3.32Å; F9-F215 HydrophobicContact CE1-CD1 4.15Å; F9-F215 HydrophobicContact CE1-CD2 4.08Å; F9-F215 AromaticContact CE1-CG 3.59Å; F9-F215 HydrophobicContact CE1-CG 3.59Å; F9-F215 HydrophobicContact CE2-CB 4.49Å; F9-F215 AromaticContact CE2-CD2 3.76Å; F9-F215 HydrophobicContact CE2-CD2 3.76Å; F9-F215 HydrophobicContact CE2-CE2 4.17Å; F9-F215 HydrophobicContact CE2-CG 4.13Å; F9-F215 HydrophobicContact CG-CB 4.29Å; F9-F215 AromaticContact CG-CD1 3.56Å; F9-F215 HydrophobicContact CG-CD1 3.56Å; F9-F215 AromaticContact CG-CD2 3.85Å; F9-F215 HydrophobicContact CG-CD2 3.85Å; F9-F215 AromaticContact CG-CE1 3.75Å; F9-F215 HydrophobicContact CG-CE1 3.75Å; F9-F215 HydrophobicContact CG-CE2 4.02Å; F9-F215 AromaticContact CG-CG 3.62Å; F9-F215 HydrophobicContact CG-CG 3.62Å; F9-F215 AromaticContact CG-CZ 3.96Å; F9-F215 HydrophobicContact CG-CZ 3.96Å; F9-F215 HydrophobicContact CZ-CB 3.82Å; F9-F215 AromaticContact CZ-CD2 3.93Å; F9-F215 HydrophobicContact CZ-CD2 3.93Å; F9-F215 AromaticContact CZ-CG 3.94Å; F9-F215 HydrophobicContact CZ-CG 3.94Å; F9-F216 HydrophobicContact CB-CZ 4.19Å; F9-F216 HydrophobicContact CD1-CE2 4.38Å; F9-F242 HydrophobicContact CZ-CE2 4.25Å
10F95.9Very high89Confident19 Ų1980 Ų808%0.08340%0.404CS..  trans-113.5109.8-177.5-68.9-99.4000109.2I7 F26 Q29 L30 Y117 G118 F216I7-F10 HydrophobicContact CB-CE1 4.17Å; I7-F10 HydrophobicContact CB-CE2 4.1Å; I7-F10 HydrophobicContact CB-CZ 3.78Å; I7-F10 HydrophobicContact CG2-CD1 4.2Å; I7-F10 HydrophobicContact CG2-CD2 4.1Å; I7-F10 HydrophobicContact CG2-CE1 4.01Å; I7-F10 HydrophobicContact CG2-CE2 3.9Å; I7-F10 HydrophobicContact CG2-CG 4.25Å; I7-F10 HydrophobicContact CG2-CZ 3.87Å; F10-F26 HydrophobicContact CD1-CD1 4.07Å; F10-F26 AromaticContact CD1-CE1 3.99Å; F10-F26 HydrophobicContact CD1-CE1 3.99Å; F10-F26 HydrophobicContact CE1-CD1 4.36Å; F10-F26 HydrophobicContact CG-CE1 4.5Å; F10-Q29 HydrophobicContact CE1-CG 4.23Å; F10-Q29 HydrophobicContact CZ-CG 3.78Å; F10-L30 HydrophobicContact CD1-CD2 4.35Å; F10-L30 HydrophobicContact CE1-CD2 3.9Å; F10-L30 HydrophobicContact CE1-CG 4.23Å; F10-Y117 HydrophobicContact CB-CD1 4.37Å; F10-Y117 HydrophobicContact CB-CE1 3.68Å; F10-Y117 HydrophobicContact CD1-CE2 4.26Å; F10-G118 VanDerWaalsContact CD2-CA 3.43Å; F10-G118 VanDerWaalsContact CG-CA 3.4Å; F10-F216 WeakPolarHBondContact O-CZ 3.44Å
11P94.6Very high89.2Confident7 Ų780.1 Ų80.15%0.04540%0.4CS..  trans-77.7144.6-178.632.8-33.9000111.5D13 V16 I17 Y117 F247P11-D13 VanDerWaalsContact C-N 3.34Å; P11-V16 HydrophobicContact CB-CG2 4Å; P11-V16 HydrophobicContact CG-CG2 3.77Å; P11-I17 HydrophobicContact CG-CD1 4.18Å; P11-I17 HydrophobicContact CG-CG1 4.3Å; P11-Y117 WeakPolarHBondContact O-CE1 3.38Å; P11-Y117 PolarHBondContact O-OH 2.71Å; P11-F247 HydrophobicContact CB-CE2 3.7Å; P11-F247 HydrophobicContact CB-CZ 3.67Å
12E93.2Very high91Very high106 Ų10672.8 Ų72.850%0.49537%0.367SS..SBendtrans-70.1-30.9170.6-80.8158.7-165.600112.4V112 A133 R134E12-V112 WeakPolarHBondContact O-CG2 3.45Å; E12-A133 HydrophobicContact CG-CB 3.83Å; E12-A133 WeakPolarHBondContact OE1-CB 3.45Å; E12-R134 WeakPolarHBondContact OE1-CB 3.17Å; E12-R134 PolarHBondContact OE1-N 3.1Å
13D93Very high91.8Very high66 Ų6669.9 Ų69.935%0.35334%0.341SS..  trans-92103.4172.3174.811.6000109.7P11 S15 V16P11-D13 VanDerWaalsContact C-N 3.34Å; D13-S15 VanDerWaalsContact CG-OG 3.32Å; D13-S15 PolarHBondContact O-N 3.11Å; D13-S15 WeakPolarHBondContact OD1-CA 3.47Å; D13-S15 WeakPolarHBondContact OD1-CB 3.42Å; D13-S15 PolarHBondContact OD1-N 3.42Å; D13-S15 PolarHBondContact OD1-OG 2.92Å; D13-S15 PolarHBondContact OD2-OG 3.12Å; D13-V16 HydrophobicContact CB-CG1 4.26Å; D13-V16 WeakPolarHBondContact O-CG2 3.45Å; D13-V16 WeakPolarHBondContact OD2-CG1 3.42Å
14I93.5Very high92.2Very high22 Ų2262.8 Ų62.811%0.11330%0.303CS..G310 helixtrans-68.1-22.5177.9-58.2-57.9000112.1V16 I17 L108 V112 Y117I14-V16 PolarHBondContact O-N 3.21Å; I14-V16 VanDerWaalsContact O-N 3.09Å; I14-I17 HydrophobicContact CD1-CD1 4.45Å; I14-I17 WeakPolarHBondContact O-CB 3.5Å; I14-I17 PolarHBondContact O-N 3.38Å; I14-L108 HydrophobicContact CD1-CB 4.34Å; I14-L108 HydrophobicContact CG1-CB 4.35Å; I14-L108 HydrophobicContact CG2-CB 3.75Å; I14-L108 HydrophobicContact CG2-CD1 4.05Å; I14-V112 HydrophobicContact CD1-CB 4.07Å; I14-V112 HydrophobicContact CD1-CG2 4.11Å; I14-V112 HydrophobicContact CG1-CB 4.03Å; I14-V112 HydrophobicContact CG1-CG1 4.07Å; I14-V112 HydrophobicContact CG1-CG2 4.21Å; I14-Y117 WeakPolarHBondContact CD1-OH 3.14Å
15S90.6Very high92.6Very high73 Ų7361.1 Ų61.151%0.5129%0.294SS..G310 helixtrans-67.3-13.6-176.482.50000113.8D13 I17 K18D13-S15 VanDerWaalsContact CG-OG 3.32Å; D13-S15 PolarHBondContact O-N 3.11Å; D13-S15 WeakPolarHBondContact OD1-CA 3.47Å; D13-S15 WeakPolarHBondContact OD1-CB 3.42Å; D13-S15 PolarHBondContact OD1-N 3.42Å; D13-S15 PolarHBondContact OD1-OG 2.92Å; D13-S15 PolarHBondContact OD2-OG 3.12Å; S15-I17 PolarHBondContact O-N 3.23Å; S15-K18 WeakPolarHBondContact O-CD 3.41Å; S15-K18 WeakPolarHBondContact O-CE 3.34Å; S15-K18 PolarHBondContact O-NZ 3.48Å
16V90.5Very high92.9Very high45 Ų4556 Ų5627%0.27327%0.267SS..G310 helixtrans-69-21.7170.5-50.50000112.4P11 D13 I14 K18 F247 K251P11-V16 HydrophobicContact CB-CG2 4Å; P11-V16 HydrophobicContact CG-CG2 3.77Å; D13-V16 HydrophobicContact CB-CG1 4.26Å; D13-V16 WeakPolarHBondContact O-CG2 3.45Å; D13-V16 WeakPolarHBondContact OD2-CG1 3.42Å; I14-V16 PolarHBondContact O-N 3.21Å; I14-V16 VanDerWaalsContact O-N 3.09Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 3.41Å; V16-F247 HydrophobicContact CG1-CE2 4.32Å; V16-F247 HydrophobicContact CG1-CZ 4.15Å; V16-F247 HydrophobicContact CG2-CE2 4.14Å; V16-K251 HydrophobicContact CG1-CG 4.49Å
17I91Very high93Very high12 Ų1251.4 Ų51.46%0.06225%0.249CC..  trans-85.176.5-177.3-47.8178.4000109.7P11 I14 S15 T22 R23 F26P11-I17 HydrophobicContact CG-CD1 4.18Å; P11-I17 HydrophobicContact CG-CG1 4.3Å; I14-I17 HydrophobicContact CD1-CD1 4.45Å; I14-I17 WeakPolarHBondContact O-CB 3.5Å; I14-I17 PolarHBondContact O-N 3.38Å; S15-I17 PolarHBondContact O-N 3.23Å; I17-T22 HydrophobicContact CG2-CG2 3.6Å; I17-R23 HydrophobicContact CB-CG 4.07Å; I17-R23 HydrophobicContact CG2-CB 4.43Å; I17-R23 HydrophobicContact CG2-CG 3.59Å; I17-R23 PolarHBondContact O-NH1 3.07Å; I17-F26 HydrophobicContact CD1-CD1 3.95Å; I17-F26 HydrophobicContact CD1-CD2 3.96Å; I17-F26 HydrophobicContact CD1-CE1 3.89Å; I17-F26 HydrophobicContact CD1-CE2 3.91Å; I17-F26 HydrophobicContact CD1-CG 3.97Å; I17-F26 HydrophobicContact CD1-CZ 3.87Å
18K87.5Confident93Very high163 Ų16351.8 Ų51.871%0.70925%0.25SS*.  trans-66.5-45.4-172.5-58.9-55.7-176.1-165.10114.4S15 V16 R23S15-K18 WeakPolarHBondContact O-CD 3.41Å; S15-K18 WeakPolarHBondContact O-CE 3.34Å; S15-K18 PolarHBondContact O-NZ 3.48Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 3.41Å; K18-R23 PolarHBondContact O-NH1 3.14Å
19E88.4Confident93Very high53 Ų5347.2 Ų47.225%0.24823%0.231CC..SBendtrans-75.9133.5-177.4-66.2-173.7-173.900112.2Y21 T22 R23 R260E19-Y21 VanDerWaalsContact C-N 3.33Å; E19-Y21 PolarHBondContact O-N 3.41Å; E19-T22 PolarHBondContact O-N 3.26Å; E19-T22 VanDerWaalsContact O-N 3.12Å; E19-R23 PolarHBondContact O-N 3.06Å; E19-R260 IonicContact OE1-CZ 3.7Å; E19-R260 IonicContact OE1-NE 3.18Å; E19-R260 PolarHBondContact OE1-NE 3.48Å; E19-R260 IonicContact OE1-NH2 2.89Å; E19-R260 PolarHBondContact OE1-NH2 3.26Å; E19-R260 IonicContact OE2-NH2 2.66Å; E19-R260 PolarHBondContact OE2-NH2 3.04Å
20E91.5Very high93Very high74 Ų7445.4 Ų45.435%0.34622%0.223SC..Hα-helixtrans-56.8-45.5174-173-167.8145.100111.8T22 R23 Y24 A101 F265 R267E20-T22 PolarHBondContact O-N 2.95Å; E20-R23 WeakPolarHBondContact O-CA 3.42Å; E20-R23 WeakPolarHBondContact O-CB 3.35Å; E20-R23 PolarHBondContact O-N 2.95Å; E20-Y24 PolarHBondContact O-N 3.41Å; E20-A101 VanDerWaalsContact CD-CB 3.49Å; E20-A101 HydrophobicContact CG-CB 3.85Å; E20-F265 HydrophobicContact CG-CE1 4.28Å; E20-F265 HydrophobicContact CG-CZ 4.21Å; E20-R267 IonicContact OE1-CZ 2.73Å; E20-R267 IonicContact OE1-NE 3.75Å; E20-R267 IonicContact OE1-NH2 2.97Å; E20-R267 PolarHBondContact OE1-NH2 3Å
21Y91.8Very high92.9Very high82 Ų8246.1 Ų46.132%0.32223%0.225SC..Hα-helixtrans-58.4-36.5177.9-178-124.8000112.3E19 Y24 L25 P263 F265E19-Y21 VanDerWaalsContact C-N 3.33Å; E19-Y21 PolarHBondContact O-N 3.41Å; Y21-Y24 HydrophobicContact CD2-CD1 4.28Å; Y21-Y24 HydrophobicContact CE2-CD1 4.3Å; Y21-Y24 PolarHBondContact O-N 2.96Å; Y21-L25 HydrophobicContact CD1-CD1 4.17Å; Y21-L25 HydrophobicContact CE1-CD1 3.76Å; Y21-L25 HydrophobicContact CE1-CG 4.34Å; Y21-L25 HydrophobicContact CE2-CD2 4.26Å; Y21-L25 HydrophobicContact CE2-CG 4.22Å; Y21-L25 WeakPolarHBondContact O-CG 3.5Å; Y21-L25 PolarHBondContact O-N 3.27Å; Y21-P263 HydrophobicContact CD1-CG 3.92Å; Y21-P263 HydrophobicContact CG-CG 4.19Å; Y21-F265 HydrophobicContact CD2-CB 3.6Å; Y21-F265 AromaticContact CD2-CD1 3.57Å; Y21-F265 HydrophobicContact CD2-CD1 3.57Å; Y21-F265 AromaticContact CD2-CD2 3.55Å; Y21-F265 HydrophobicContact CD2-CD2 3.55Å; Y21-F265 HydrophobicContact CD2-CE1 4.07Å; Y21-F265 HydrophobicContact CD2-CE2 4.03Å; Y21-F265 AromaticContact CD2-CG 3.28Å; Y21-F265 HydrophobicContact CD2-CG 3.28Å; Y21-F265 HydrophobicContact CD2-CZ 4.27Å; Y21-F265 HydrophobicContact CE2-CB 3.74Å; Y21-F265 AromaticContact CE2-CD2 3.97Å; Y21-F265 HydrophobicContact CE2-CD2 3.97Å; Y21-F265 AromaticContact CE2-CG 3.85Å; Y21-F265 HydrophobicContact CE2-CG 3.85Å; Y21-F265 HydrophobicContact CG-CB 4.41Å; Y21-F265 AromaticContact CG-CD1 4Å; Y21-F265 HydrophobicContact CG-CD1 4Å; Y21-F265 HydrophobicContact CG-CE1 4.43Å; Y21-F265 HydrophobicContact CG-CG 4.14Å
22T92.9Very high92.7Very high47 Ų4747.2 Ų47.229%0.28823%0.228SC..Hα-helixtrans-69.8-41.7175.9-57.60000110.7I17 E19 E20 Y24 L25 F26I17-T22 HydrophobicContact CG2-CG2 3.6Å; E19-T22 PolarHBondContact O-N 3.26Å; E19-T22 VanDerWaalsContact O-N 3.12Å; E20-T22 PolarHBondContact O-N 2.95Å; T22-Y24 VanDerWaalsContact C-N 3.34Å; T22-Y24 PolarHBondContact O-N 3.5Å; T22-L25 PolarHBondContact O-N 3.28Å; T22-F26 HydrophobicContact CG2-CD2 4.05Å; T22-F26 HydrophobicContact CG2-CE2 3.94Å; T22-F26 WeakPolarHBondContact O-CD2 3.21Å; T22-F26 PolarHBondContact O-N 3.3Å
23R94.8Very high92.7Very high44 Ų4443 Ų4317%0.16621%0.209CC..Hα-helixtrans-56.8-47172-69.4-167.6-66.2-76.41.2111.5I17 K18 E19 E20 L25 F26 V27 T105 L108I17-R23 HydrophobicContact CB-CG 4.07Å; I17-R23 HydrophobicContact CG2-CB 4.43Å; I17-R23 HydrophobicContact CG2-CG 3.59Å; I17-R23 PolarHBondContact O-NH1 3.07Å; K18-R23 PolarHBondContact O-NH1 3.14Å; E19-R23 PolarHBondContact O-N 3.06Å; E20-R23 WeakPolarHBondContact O-CA 3.42Å; E20-R23 WeakPolarHBondContact O-CB 3.35Å; E20-R23 PolarHBondContact O-N 2.95Å; R23-L25 VanDerWaalsContact C-N 3.34Å; R23-L25 PolarHBondContact O-N 3.31Å; R23-F26 WeakPolarHBondContact O-CB 3.42Å; R23-F26 PolarHBondContact O-N 3.48Å; R23-F26 VanDerWaalsContact O-N 3.11Å; R23-V27 WeakPolarHBondContact O-CG2 3.41Å; R23-V27 PolarHBondContact O-N 3.06Å; R23-T105 PolarHBondContact NE-OG1 2.88Å; R23-L108 HydrophobicContact CB-CD1 3.81Å; R23-L108 HydrophobicContact CG-CD1 3.86Å
24Y94.5Very high92.6Very high14 Ų1440.1 Ų40.16%0.05519%0.194CC..Hα-helixtrans-56.5-43.2175.3175-104.6000112.8E20 Y21 T22 F26 V27 Q28 F265 R267 C268E20-Y24 PolarHBondContact O-N 3.41Å; Y21-Y24 HydrophobicContact CD2-CD1 4.28Å; Y21-Y24 HydrophobicContact CE2-CD1 4.3Å; Y21-Y24 PolarHBondContact O-N 2.96Å; T22-Y24 VanDerWaalsContact C-N 3.34Å; T22-Y24 PolarHBondContact O-N 3.5Å; Y24-F26 PolarHBondContact O-N 2.76Å; Y24-V27 PolarHBondContact O-N 3.1Å; Y24-Q28 HydrophobicContact CD1-CG 4.38Å; Y24-Q28 HydrophobicContact CD2-CG 4.44Å; Y24-Q28 HydrophobicContact CE1-CG 3.88Å; Y24-Q28 HydrophobicContact CE2-CG 3.97Å; Y24-Q28 WeakPolarHBondContact O-CG 3.3Å; Y24-Q28 PolarHBondContact O-N 2.84Å; Y24-F265 AromaticContact CD1-CD2 3.9Å; Y24-F265 HydrophobicContact CD1-CD2 3.9Å; Y24-F265 AromaticContact CD1-CE2 3.54Å; Y24-F265 HydrophobicContact CD1-CE2 3.54Å; Y24-F265 HydrophobicContact CD1-CZ 4.47Å; Y24-F265 HydrophobicContact CD2-CE2 4.06Å; Y24-F265 HydrophobicContact CE1-CD2 4.23Å; Y24-F265 HydrophobicContact CE1-CE2 4.14Å; Y24-F265 HydrophobicContact CG-CD2 4.33Å; Y24-F265 AromaticContact CG-CE2 3.5Å; Y24-F265 HydrophobicContact CG-CE2 3.5Å; Y24-F265 HydrophobicContact CG-CZ 4.15Å; Y24-R267 HydrophobicContact CD2-CG 4.21Å; Y24-R267 HydrophobicContact CE2-CB 4.16Å; Y24-R267 HydrophobicContact CE2-CG 3.93Å; Y24-C268 PolarHBondContact OH-N 3.36Å
25L94.8Very high92.3Very high45 Ų4542.5 Ų42.524%0.23620%0.201CC..Hα-helixtrans-63.6-37.9175.8-70.9175.7000112.9L5 Y21 T22 R23 Q28 Q29L5-L25 HydrophobicContact CD2-CD1 4.28Å; L5-L25 HydrophobicContact CD2-CD2 4.1Å; Y21-L25 HydrophobicContact CD1-CD1 4.17Å; Y21-L25 HydrophobicContact CE1-CD1 3.76Å; Y21-L25 HydrophobicContact CE1-CG 4.34Å; Y21-L25 HydrophobicContact CE2-CD2 4.26Å; Y21-L25 HydrophobicContact CE2-CG 4.22Å; Y21-L25 WeakPolarHBondContact O-CG 3.5Å; Y21-L25 PolarHBondContact O-N 3.27Å; T22-L25 PolarHBondContact O-N 3.28Å; R23-L25 VanDerWaalsContact C-N 3.34Å; R23-L25 PolarHBondContact O-N 3.31Å; L25-Q28 PolarHBondContact O-N 2.89Å; L25-Q29 PolarHBondContact O-N 3.49Å
26F96.4Very high92.1Very high18 Ų1841.8 Ų41.88%0.07919%0.19CC..Hα-helixtrans-63.7-44.4171.7-88.7-104.9000111.4I7 F10 I17 T22 R23 Y24 Q28 Q29 L30 L108I7-F26 HydrophobicContact CD1-CD2 3.89Å; I7-F26 HydrophobicContact CD1-CE2 3.88Å; I7-F26 HydrophobicContact CD1-CG 4.43Å; I7-F26 HydrophobicContact CD1-CZ 4.41Å; I7-F26 HydrophobicContact CG1-CD1 4.46Å; I7-F26 HydrophobicContact CG1-CD2 4.23Å; I7-F26 HydrophobicContact CG1-CE2 4.38Å; I7-F26 HydrophobicContact CG1-CG 4.29Å; I7-F26 HydrophobicContact CG2-CD1 4.21Å; I7-F26 HydrophobicContact CG2-CE1 3.63Å; I7-F26 HydrophobicContact CG2-CE2 4.21Å; I7-F26 HydrophobicContact CG2-CZ 3.63Å; F10-F26 HydrophobicContact CD1-CD1 4.07Å; F10-F26 AromaticContact CD1-CE1 3.99Å; F10-F26 HydrophobicContact CD1-CE1 3.99Å; F10-F26 HydrophobicContact CE1-CD1 4.36Å; F10-F26 HydrophobicContact CG-CE1 4.5Å; I17-F26 HydrophobicContact CD1-CD1 3.95Å; I17-F26 HydrophobicContact CD1-CD2 3.96Å; I17-F26 HydrophobicContact CD1-CE1 3.89Å; I17-F26 HydrophobicContact CD1-CE2 3.91Å; I17-F26 HydrophobicContact CD1-CG 3.97Å; I17-F26 HydrophobicContact CD1-CZ 3.87Å; T22-F26 HydrophobicContact CG2-CD2 4.05Å; T22-F26 HydrophobicContact CG2-CE2 3.94Å; T22-F26 WeakPolarHBondContact O-CD2 3.21Å; T22-F26 PolarHBondContact O-N 3.3Å; R23-F26 WeakPolarHBondContact O-CB 3.42Å; R23-F26 PolarHBondContact O-N 3.48Å; R23-F26 VanDerWaalsContact O-N 3.11Å; Y24-F26 PolarHBondContact O-N 2.76Å; F26-Q28 PolarHBondContact O-N 3.41Å; F26-Q29 PolarHBondContact O-N 3.42Å; F26-L30 WeakPolarHBondContact O-CB 3.32Å; F26-L30 VanDerWaalsContact O-CG 3.31Å; F26-L30 WeakPolarHBondContact O-CG 3.22Å; F26-L30 PolarHBondContact O-N 3.17Å; F26-L108 HydrophobicContact CB-CD1 4.4Å; F26-L108 HydrophobicContact CB-CD2 3.84Å
27V95.7Very high91.9Very high1 Ų141.1 Ų41.11%0.00619%0.192CC..Hα-helixtrans-60.1-43.7175.9175.40000111.3R23 Y24 Q29 L30 R31 L53 D104 F107 L108R23-V27 WeakPolarHBondContact O-CG2 3.41Å; R23-V27 PolarHBondContact O-N 3.06Å; Y24-V27 PolarHBondContact O-N 3.1Å; V27-Q29 PolarHBondContact O-N 2.98Å; V27-L30 PolarHBondContact O-N 3.14Å; V27-R31 WeakPolarHBondContact O-CB 3.21Å; V27-R31 PolarHBondContact O-N 2.87Å; V27-L53 HydrophobicContact CG1-CD2 3.59Å; V27-D104 HydrophobicContact CG2-CB 3.87Å; V27-F107 HydrophobicContact CB-CD1 4.27Å; V27-F107 HydrophobicContact CG1-CD1 4.03Å; V27-F107 HydrophobicContact CG1-CD2 4.45Å; V27-F107 HydrophobicContact CG1-CE1 4.24Å; V27-F107 HydrophobicContact CG1-CG 4.15Å; V27-F107 HydrophobicContact CG2-CB 4.33Å; V27-F107 HydrophobicContact CG2-CD1 3.76Å; V27-F107 HydrophobicContact CG2-CE1 4.43Å; V27-F107 HydrophobicContact CG2-CG 4.22Å; V27-L108 HydrophobicContact CG2-CD1 4.45Å; V27-L108 HydrophobicContact CG2-CD2 4.13Å; V27-L108 HydrophobicContact CG2-CG 4.02Å
28Q93Very high91.7Very high45 Ų4542.9 Ų42.921%0.2120%0.198CC..Hα-helixtrans-66-37176.8-65.5-47.6-4900113Y24 L25 F26 R32Y24-Q28 HydrophobicContact CD1-CG 4.38Å; Y24-Q28 HydrophobicContact CD2-CG 4.44Å; Y24-Q28 HydrophobicContact CE1-CG 3.88Å; Y24-Q28 HydrophobicContact CE2-CG 3.97Å; Y24-Q28 WeakPolarHBondContact O-CG 3.3Å; Y24-Q28 PolarHBondContact O-N 2.84Å; L25-Q28 PolarHBondContact O-N 2.89Å; F26-Q28 PolarHBondContact O-N 3.41Å; Q28-R32 WeakPolarHBondContact O-CB 3.12Å; Q28-R32 PolarHBondContact O-N 2.9Å
29Q94.4Very high92Very high16 Ų1635.4 Ų35.48%0.07517%0.166CC..Hα-helixtrans-65.9-47.7174176.263.663.500111.3R6 I7 F10 L25 F26 V27 R32 D33R6-Q29 VanDerWaalsContact CD-OE1 3.31Å; I7-Q29 HydrophobicContact CB-CB 4.46Å; I7-Q29 HydrophobicContact CB-CG 4Å; I7-Q29 HydrophobicContact CG1-CB 3.83Å; I7-Q29 HydrophobicContact CG1-CG 3.94Å; F10-Q29 HydrophobicContact CE1-CG 4.23Å; F10-Q29 HydrophobicContact CZ-CG 3.78Å; L25-Q29 PolarHBondContact O-N 3.49Å; F26-Q29 PolarHBondContact O-N 3.42Å; V27-Q29 PolarHBondContact O-N 2.98Å; Q29-R32 WeakPolarHBondContact O-CA 3.28Å; Q29-R32 WeakPolarHBondContact O-CB 3.43Å; Q29-R32 PolarHBondContact O-N 3.42Å; Q29-R32 VanDerWaalsContact O-N 3.13Å; Q29-D33 VanDerWaalsContact NE2-CG 3.32Å; Q29-D33 PolarHBondContact NE2-OD1 2.85Å; Q29-D33 PolarHBondContact NE2-OD2 3.35Å; Q29-D33 PolarHBondContact O-N 3.05Å; Q29-D33 VanDerWaalsContact O-OD2 3.12Å
30L95.3Very high92.1Very high2 Ų238 Ų381%0.0117%0.174CC..Hα-helixtrans-65.8-40.8179.3-69.6163000111.8F10 F26 V27 R32 D33 I34 L39 F107 L108 A111 Y117F10-L30 HydrophobicContact CD1-CD2 4.35Å; F10-L30 HydrophobicContact CE1-CD2 3.9Å; F10-L30 HydrophobicContact CE1-CG 4.23Å; F26-L30 WeakPolarHBondContact O-CB 3.32Å; F26-L30 VanDerWaalsContact O-CG 3.31Å; F26-L30 WeakPolarHBondContact O-CG 3.22Å; F26-L30 PolarHBondContact O-N 3.17Å; V27-L30 PolarHBondContact O-N 3.14Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 3.2Å; L30-D33 CarbonylContact O-C 3.55Å; L30-D33 PolarHBondContact O-N 2.92Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 2.9Å; L30-L39 HydrophobicContact CB-CD2 4.34Å; L30-L39 HydrophobicContact CD2-CD2 3.96Å; L30-F107 HydrophobicContact CB-CE1 3.69Å; L30-F107 HydrophobicContact CB-CZ 4.08Å; L30-F107 HydrophobicContact CD1-CE1 3.96Å; L30-F107 HydrophobicContact CG-CE1 4.49Å; L30-L108 HydrophobicContact CD1-CD2 3.49Å; L30-L108 VanDerWaalsContact CD1-CD2 3.49Å; L30-A111 HydrophobicContact CD1-CB 4.01Å; L30-Y117 HydrophobicContact CD1-CE2 3.97Å; L30-Y117 HydrophobicContact CD2-CD2 3.98Å; L30-Y117 HydrophobicContact CD2-CE2 4.01Å
31R92.7Very high92.1Very high33 Ų3335.5 Ų35.513%0.12517%0.165CC..Hα-helixtrans-55.8-43169.9178.1-170.6172.2-155.2-1.4111.6V27 D33 I34 R35 L53 M270V27-R31 WeakPolarHBondContact O-CB 3.21Å; V27-R31 PolarHBondContact O-N 2.87Å; R31-D33 VanDerWaalsContact C-N 3.35Å; R31-I34 PolarHBondContact O-N 2.88Å; R31-R35 WeakPolarHBondContact O-CB 3.32Å; R31-R35 PolarHBondContact O-N 3.43Å; R31-L53 HydrophobicContact CB-CD1 4.32Å; R31-L53 HydrophobicContact CB-CD2 4.3Å; R31-L53 HydrophobicContact CG-CD1 4Å; R31-L53 HydrophobicContact CG-CD2 4.44Å; R31-M270 PolarHBondContact NE-SD 3.29Å; R31-M270 VanDerWaalsContact NE-SD 3.38Å; R31-M270 PolarHBondContact NH2-SD 3.36Å
32R91.3Very high92.1Very high30 Ų3033.5 Ų33.511%0.11316%0.162CC..Hα-helixtrans-63.2-41.7174.4173.1171.5-178.1-108.11.3111.3R6 Q28 Q29 L30 R35 H36R6-R32 VanDerWaalsContact NE-NH1 3.16Å; Q28-R32 WeakPolarHBondContact O-CB 3.12Å; Q28-R32 PolarHBondContact O-N 2.9Å; Q29-R32 WeakPolarHBondContact O-CA 3.28Å; Q29-R32 WeakPolarHBondContact O-CB 3.43Å; Q29-R32 PolarHBondContact O-N 3.42Å; Q29-R32 VanDerWaalsContact O-N 3.13Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 3.2Å; R32-R35 PolarHBondContact O-N 3.32Å; R32-H36 VanDerWaalsContact CG-CD2 3.42Å; R32-H36 WeakPolarHBondContact CG-CD2 3.48Å; R32-H36 PolarHBondContact NE-NE2 3.17Å; R32-H36 PolarHBondContact O-CD2 3.07Å; R32-H36 PolarHBondContact O-N 2.93Å
33D92.3Very high92.1Very high17 Ų1735.9 Ų35.99%0.09118%0.178CC..Hα-helixtrans-69.3-34.4178.9-68.1-40.8000112.5Q29 L30 R31 H36 G37 R38 L39Q29-D33 VanDerWaalsContact NE2-CG 3.32Å; Q29-D33 PolarHBondContact NE2-OD1 2.85Å; Q29-D33 PolarHBondContact NE2-OD2 3.35Å; Q29-D33 PolarHBondContact O-N 3.05Å; Q29-D33 VanDerWaalsContact O-OD2 3.12Å; L30-D33 CarbonylContact O-C 3.55Å; L30-D33 PolarHBondContact O-N 2.92Å; R31-D33 VanDerWaalsContact C-N 3.35Å; D33-H36 CarbonylContact O-C 3.49Å; D33-H36 PolarHBondContact O-N 2.87Å; D33-G37 PolarHBondContact O-N 2.61Å; D33-G37 VanDerWaalsContact O-N 3.1Å; D33-R38 HydrophobicContact CB-CB 3.96Å; D33-R38 PolarHBondContact O-N 2.85Å; D33-R38 WeakPolarHBondContact OD1-CD 3.26Å; D33-R38 IonicContact OD1-NH1 2.76Å; D33-L39 HydrophobicContact CB-CB 4.24Å; D33-L39 PolarHBondContact O-N 3.42Å
34I92.2Very high92.1Very high6 Ų638 Ų383%0.03119%0.193CC..Hα-helixtrans-59.7-52.2167.2-67.8171.6000110.1L30 R31 H36 G37 L39 L49 L76 F77 V78 F107L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 2.9Å; R31-I34 PolarHBondContact O-N 2.88Å; I34-H36 PolarHBondContact O-N 2.84Å; I34-H36 VanDerWaalsContact O-N 3.13Å; I34-G37 PolarHBondContact O-N 3.45Å; I34-L39 HydrophobicContact CD1-CD2 4.12Å; I34-L39 HydrophobicContact CG1-CB 3.97Å; I34-L39 HydrophobicContact CG1-CD2 3.72Å; I34-L39 HydrophobicContact CG1-CG 4.23Å; I34-L49 HydrophobicContact CD1-CD1 4.34Å; I34-L76 WeakPolarHBondContact CG2-O 3.49Å; I34-F77 HydrophobicContact CD1-CE1 4.44Å; I34-F77 HydrophobicContact CG2-CD1 3.27Å; I34-F77 HydrophobicContact CG2-CE1 3.46Å; I34-F77 VanDerWaalsContact CG2-CE1 3.46Å; I34-F77 HydrophobicContact CG2-CG 4.15Å; I34-F77 HydrophobicContact CG2-CZ 4.44Å; I34-V78 WeakPolarHBondContact O-CG2 3.37Å; I34-F107 HydrophobicContact CD1-CE2 4.25Å; I34-F107 HydrophobicContact CD1-CZ 3.9Å
35R87.5Confident92.2Very high73 Ų7340 Ų4028%0.27520%0.203SC..Hα-helixtrans-64.6-15.6-178.9-167.3178.3701654.1113.8R31 R32 V78 D277R31-R35 WeakPolarHBondContact O-CB 3.32Å; R31-R35 PolarHBondContact O-N 3.43Å; R32-R35 PolarHBondContact O-N 3.32Å; R35-V78 VanDerWaalsContact O-CG2 3.32Å; R35-V78 WeakPolarHBondContact O-CG2 3.03Å; R35-D277 IonicContact CZ-OD2 3.29Å; R35-D277 IonicContact NH1-OD2 2.78Å; R35-D277 PolarHBondContact NH1-OD2 2.81Å; R35-D277 IonicContact NH2-OD2 3.18Å; R35-D277 PolarHBondContact NH2-OD2 3.38Å
36H84.7Confident92.3Very high57 Ų5738.1 Ų38.126%0.26419%0.194SC..THydrogen-bonded Turntrans-107.45.7173-64.8-53.2000113.6R32 D33 I34 R38R32-H36 VanDerWaalsContact CG-CD2 3.42Å; R32-H36 WeakPolarHBondContact CG-CD2 3.48Å; R32-H36 PolarHBondContact NE-NE2 3.17Å; R32-H36 PolarHBondContact O-CD2 3.07Å; R32-H36 PolarHBondContact O-N 2.93Å; D33-H36 CarbonylContact O-C 3.49Å; D33-H36 PolarHBondContact O-N 2.87Å; I34-H36 PolarHBondContact O-N 2.84Å; I34-H36 VanDerWaalsContact O-N 3.13Å; H36-R38 VanDerWaalsContact C-N 3.26Å; H36-R38 PolarHBondContact O-N 2.89Å
37G86.3Confident92.3Very high32 Ų3237.3 Ų37.333%0.3319%0.19SC..THydrogen-bonded Turntrans68.819.4178.600000114.9D33 I34D33-G37 PolarHBondContact O-N 2.61Å; D33-G37 VanDerWaalsContact O-N 3.1Å; I34-G37 PolarHBondContact O-N 3.45Å
38R88.5Confident92.4Very high48 Ų4840.1 Ų40.118%0.18121%0.205CC..  trans-82.9-38.1175.6-70.1177170.6-170.9-7.2112D33 H36 P121D33-R38 HydrophobicContact CB-CB 3.96Å; D33-R38 PolarHBondContact O-N 2.85Å; D33-R38 WeakPolarHBondContact OD1-CD 3.26Å; D33-R38 IonicContact OD1-NH1 2.76Å; H36-R38 VanDerWaalsContact C-N 3.26Å; H36-R38 PolarHBondContact O-N 2.89Å; R38-P121 HydrophobicContact CG-CG 4.38Å
39L92.1Very high92.6Very high7 Ų738 Ų384%0.03720%0.195CC..SBendtrans-93.4106.6171.7-170.164.2000108.8L30 D33 I34 C41 L114L30-L39 HydrophobicContact CB-CD2 4.34Å; L30-L39 HydrophobicContact CD2-CD2 3.96Å; D33-L39 HydrophobicContact CB-CB 4.24Å; D33-L39 PolarHBondContact O-N 3.42Å; I34-L39 HydrophobicContact CD1-CD2 4.12Å; I34-L39 HydrophobicContact CG1-CB 3.97Å; I34-L39 HydrophobicContact CG1-CD2 3.72Å; I34-L39 HydrophobicContact CG1-CG 4.23Å; L39-C41 PolarHBondContact O-N 3.48Å; L39-L114 HydrophobicContact CD1-CB 4.08Å; L39-L114 HydrophobicContact CD1-CD1 3.89Å; L39-L114 HydrophobicContact CD2-CD1 3.87Å; L39-L114 HydrophobicContact CG-CD1 3.72Å
40Y90.8Very high92.7Very high106 Ų10637.2 Ų37.242%0.41619%0.191SC..  trans-74.7118.1174.4177.4-99.8000110.1P42 T116Y40-P42 HydrophobicContact CE1-CB 4.46Å; Y40-P42 HydrophobicContact CE1-CG 4.01Å; Y40-T116 PolarHBondContact N-OG1 2.82Å
41C92.2Very high92.7Very high23 Ų2337.1 Ų37.116%0.15519%0.191CC..  trans-112.9118.2175.4-54.30000108.8L39 A46 L49 L114L39-C41 PolarHBondContact O-N 3.48Å; C41-A46 HydrophobicContact CB-CB 3.84Å; C41-L49 HydrophobicContact CB-CD1 4.47Å; C41-L114 HydrophobicContact CB-CD1 4.49Å
42P92.5Very high93Very high39 Ų3937.1 Ų37.125%0.25319%0.191SC..  trans-65.1163.9167-3.215.7000110.8Y40 N44 E45 A46Y40-P42 HydrophobicContact CE1-CB 4.46Å; Y40-P42 HydrophobicContact CE1-CG 4.01Å; P42-N44 VanDerWaalsContact C-N 3.25Å; P42-N44 PolarHBondContact O-N 3.26Å; P42-N44 VanDerWaalsContact O-N 3.1Å; P42-E45 WeakPolarHBondContact CB-OE2 3.24Å; P42-E45 WeakPolarHBondContact CD-OE2 3.22Å; P42-E45 VanDerWaalsContact CG-OE2 3.28Å; P42-E45 WeakPolarHBondContact CG-OE2 3.28Å; P42-E45 PolarHBondContact O-N 2.92Å; P42-A46 VanDerWaalsContact O-CB 3.29Å; P42-A46 WeakPolarHBondContact O-CB 3.44Å; P42-A46 PolarHBondContact O-N 3.43Å
43P92.5Very high93.2Very high97 Ų9736 Ų3663%0.6319%0.187SC*.Hα-helixtrans-62.8-22.7-166.1-26.736000116.2A47P43-A47 PolarHBondContact O-N 3.31Å
44N94.9Very high93.3Very high90 Ų9035.3 Ų35.348%0.48118%0.183SC..Hα-helixtrans-80.3-48.6179.3-69.2-27000110.9P42 A46 A47 L48 K87P42-N44 VanDerWaalsContact C-N 3.25Å; P42-N44 PolarHBondContact O-N 3.26Å; P42-N44 VanDerWaalsContact O-N 3.1Å; N44-A46 VanDerWaalsContact C-N 3.34Å; N44-A47 PolarHBondContact O-N 2.95Å; N44-A47 VanDerWaalsContact O-N 3.15Å; N44-L48 PolarHBondContact O-N 3.26Å; N44-L48 VanDerWaalsContact O-N 3.07Å; N44-K87 PolarHBondContact OD1-NZ 2.85Å
45E96.3Very high93.4Very high55 Ų5535 Ų3526%0.25718%0.182SC..Hα-helixtrans-67.1-38.3178.6-59.768-15200109.9P42 A47 L48 L49 V110 L114P42-E45 WeakPolarHBondContact CB-OE2 3.24Å; P42-E45 WeakPolarHBondContact CD-OE2 3.22Å; P42-E45 VanDerWaalsContact CG-OE2 3.28Å; P42-E45 WeakPolarHBondContact CG-OE2 3.28Å; P42-E45 PolarHBondContact O-N 2.92Å; E45-A47 VanDerWaalsContact C-N 3.3Å; E45-A47 PolarHBondContact O-N 3.47Å; E45-L48 PolarHBondContact O-N 2.99Å; E45-L49 VanDerWaalsContact O-CB 3.29Å; E45-L49 WeakPolarHBondContact O-CB 3.48Å; E45-L49 WeakPolarHBondContact O-CD1 3.21Å; E45-L49 WeakPolarHBondContact O-CG 3.28Å; E45-L49 PolarHBondContact O-N 3.28Å; E45-V110 HydrophobicContact CB-CG1 4.11Å; E45-V110 HydrophobicContact CG-CG1 4.37Å; E45-L114 HydrophobicContact CB-CD2 3.98Å; E45-L114 HydrophobicContact CG-CD2 4.02Å
46A95.7Very high93.7Very high6 Ų631.8 Ų31.85%0.0517%0.171CC..Hα-helixtrans-57-42.3170.900000111.9C41 P42 N44 G50 F77 L84C41-A46 HydrophobicContact CB-CB 3.84Å; P42-A46 VanDerWaalsContact O-CB 3.29Å; P42-A46 WeakPolarHBondContact O-CB 3.44Å; P42-A46 PolarHBondContact O-N 3.43Å; N44-A46 VanDerWaalsContact C-N 3.34Å; A46-G50 PolarHBondContact O-N 3.4Å; A46-F77 HydrophobicContact CB-CD1 4.37Å; A46-F77 HydrophobicContact CB-CE1 3.82Å; A46-F77 HydrophobicContact CB-CZ 4.09Å; A46-F77 WeakPolarHBondContact O-CZ 3.39Å; A46-L84 HydrophobicContact CB-CD1 4.06Å; A46-L84 HydrophobicContact CB-CD2 4.46Å
47A96.7Very high93.9Very high0 Ų030.2 Ų30.20%017%0.166CC..Hα-helixtrans-68.7-40.6178.300000112.5P43 N44 E45 A51 L84 K87 I88 I91P43-A47 PolarHBondContact O-N 3.31Å; N44-A47 PolarHBondContact O-N 2.95Å; N44-A47 VanDerWaalsContact O-N 3.15Å; E45-A47 VanDerWaalsContact C-N 3.3Å; E45-A47 PolarHBondContact O-N 3.47Å; A47-A51 WeakPolarHBondContact O-CB 3.24Å; A47-A51 PolarHBondContact O-N 3.01Å; A47-L84 HydrophobicContact CB-CD1 3.95Å; A47-K87 HydrophobicContact CB-CB 4.12Å; A47-K87 HydrophobicContact CB-CD 3.69Å; A47-K87 HydrophobicContact CB-CG 3.68Å; A47-I88 HydrophobicContact CB-CG1 4.4Å; A47-I91 HydrophobicContact CB-CD1 3.75Å
48L97.6Very high94.2Very high60 Ų6030.8 Ų30.831%0.31416%0.161SC..Hα-helixtrans-63.7-50.8174.9-70.9168.6000111.9N44 E45 G50 A51 Y52 I91N44-L48 PolarHBondContact O-N 3.26Å; N44-L48 VanDerWaalsContact O-N 3.07Å; E45-L48 PolarHBondContact O-N 2.99Å; L48-G50 VanDerWaalsContact C-N 3.3Å; L48-G50 PolarHBondContact O-N 3.31Å; L48-A51 PolarHBondContact O-N 3.05Å; L48-A51 VanDerWaalsContact O-N 3.14Å; L48-Y52 HydrophobicContact CB-CE2 4.2Å; L48-Y52 WeakPolarHBondContact O-CD2 3.38Å; L48-Y52 PolarHBondContact O-N 2.98Å; L48-I91 HydrophobicContact CD2-CD1 4.22Å; L48-I91 HydrophobicContact CD2-CG2 4.33Å
49L97.5Very high94.4Very high0 Ų029.6 Ų29.60%016%0.164CC..Hα-helixtrans-60.8-40.8178-68.4167.9000111.2I34 C41 E45 L53 F107 V110 A111 L114I34-L49 HydrophobicContact CD1-CD1 4.34Å; C41-L49 HydrophobicContact CB-CD1 4.47Å; E45-L49 VanDerWaalsContact O-CB 3.29Å; E45-L49 WeakPolarHBondContact O-CB 3.48Å; E45-L49 WeakPolarHBondContact O-CD1 3.21Å; E45-L49 WeakPolarHBondContact O-CG 3.28Å; E45-L49 PolarHBondContact O-N 3.28Å; L49-L53 WeakPolarHBondContact O-CB 3.35Å; L49-L53 VanDerWaalsContact O-CG 3.25Å; L49-L53 WeakPolarHBondContact O-CG 3.34Å; L49-L53 PolarHBondContact O-N 2.87Å; L49-F107 HydrophobicContact CB-CD2 4.13Å; L49-F107 HydrophobicContact CB-CE2 3.84Å; L49-F107 HydrophobicContact CD2-CD1 4.17Å; L49-F107 HydrophobicContact CD2-CD2 3.5Å; L49-F107 HydrophobicContact CD2-CE1 4.21Å; L49-F107 HydrophobicContact CD2-CE2 3.56Å; L49-F107 HydrophobicContact CD2-CG 3.83Å; L49-F107 HydrophobicContact CD2-CZ 3.93Å; L49-F107 WeakPolarHBondContact CD2-O 3.46Å; L49-F107 HydrophobicContact CG-CD2 4.43Å; L49-F107 HydrophobicContact CG-CE2 4.24Å; L49-V110 HydrophobicContact CD1-CG1 4.25Å; L49-V110 HydrophobicContact CD2-CB 3.89Å; L49-V110 HydrophobicContact CD2-CG1 3.86Å; L49-V110 HydrophobicContact CG-CB 4.39Å; L49-V110 HydrophobicContact CG-CG1 3.83Å; L49-A111 HydrophobicContact CD2-CB 4.2Å; L49-L114 HydrophobicContact CD1-CD1 3.87Å
50G96.2Very high94.6Very high0 Ų032.5 Ų32.50%018%0.179CC..Hα-helixtrans-60.4-45173.100000112.3A46 L48 L53 V54A46-G50 PolarHBondContact O-N 3.4Å; L48-G50 VanDerWaalsContact C-N 3.3Å; L48-G50 PolarHBondContact O-N 3.31Å; G50-L53 PolarHBondContact O-N 3.43Å; G50-V54 VanDerWaalsContact O-CG2 3.28Å; G50-V54 WeakPolarHBondContact O-CG2 3.47Å; G50-V54 PolarHBondContact O-N 3.38Å
51A97.2Very high94.8Very high0 Ų030.3 Ų30.30%017%0.171CC..Hα-helixtrans-65.6-42.517900000112.8A47 L48 L53 V54 Q55 I88 I91 L95A47-A51 WeakPolarHBondContact O-CB 3.24Å; A47-A51 PolarHBondContact O-N 3.01Å; L48-A51 PolarHBondContact O-N 3.05Å; L48-A51 VanDerWaalsContact O-N 3.14Å; A51-L53 PolarHBondContact O-N 2.8Å; A51-V54 PolarHBondContact O-N 3.14Å; A51-Q55 WeakPolarHBondContact O-CB 3.4Å; A51-Q55 PolarHBondContact O-N 3.01Å; A51-I88 HydrophobicContact CB-CG2 4.49Å; A51-I91 HydrophobicContact CB-CB 3.72Å; A51-I91 HydrophobicContact CB-CG2 3.4Å; A51-I91 VanDerWaalsContact CB-CG2 3.4Å; A51-L95 HydrophobicContact CB-CD1 3.96Å
52Y97.6Very high94.9Very high33 Ų3331.6 Ų31.613%0.12918%0.176CC..Hα-helixtrans-65.1-37174.5-61.8-47.6000112.7L48 V54 G56 L95 M98 K106 F107 V110L48-Y52 HydrophobicContact CB-CE2 4.2Å; L48-Y52 WeakPolarHBondContact O-CD2 3.38Å; L48-Y52 PolarHBondContact O-N 2.98Å; Y52-V54 VanDerWaalsContact C-N 3.34Å; Y52-G56 PolarHBondContact O-N 3.23Å; Y52-L95 HydrophobicContact CD1-CD1 3.85Å; Y52-L95 HydrophobicContact CD1-CD2 4.47Å; Y52-L95 HydrophobicContact CE1-CD1 4.12Å; Y52-L95 HydrophobicContact CE1-CD2 3.95Å; Y52-M98 HydrophobicContact CD1-SD 3.97Å; Y52-M98 HydrophobicContact CE1-CE 4.17Å; Y52-M98 HydrophobicContact CE1-SD 4.04Å; Y52-K106 HydrophobicContact CD1-CB 3.92Å; Y52-K106 HydrophobicContact CD2-CB 4.15Å; Y52-K106 HydrophobicContact CE1-CB 3.59Å; Y52-K106 HydrophobicContact CE1-CG 4.23Å; Y52-K106 HydrophobicContact CE2-CB 3.83Å; Y52-K106 HydrophobicContact CG-CB 4.21Å; Y52-F107 HydrophobicContact CD2-CB 4.46Å; Y52-V110 HydrophobicContact CE2-CG2 3.98Å
53L95.2Very high95Very high6 Ų633.8 Ų33.83%0.03119%0.191CC..Hα-helixtrans-64.7-37.2173.8-77.4179.9000112.6V27 R31 L49 G50 A51 V57 L76 F107 M270V27-L53 HydrophobicContact CG1-CD2 3.59Å; R31-L53 HydrophobicContact CB-CD1 4.32Å; R31-L53 HydrophobicContact CB-CD2 4.3Å; R31-L53 HydrophobicContact CG-CD1 4Å; R31-L53 HydrophobicContact CG-CD2 4.44Å; L49-L53 WeakPolarHBondContact O-CB 3.35Å; L49-L53 VanDerWaalsContact O-CG 3.25Å; L49-L53 WeakPolarHBondContact O-CG 3.34Å; L49-L53 PolarHBondContact O-N 2.87Å; G50-L53 PolarHBondContact O-N 3.43Å; A51-L53 PolarHBondContact O-N 2.8Å; L53-V57 WeakPolarHBondContact O-CG2 3.33Å; L53-L76 HydrophobicContact CB-CD2 4.04Å; L53-L76 HydrophobicContact CD1-CD2 4.08Å; L53-F107 HydrophobicContact CD1-CD2 4.5Å; L53-F107 HydrophobicContact CD1-CE2 3.77Å; L53-F107 HydrophobicContact CD2-CD2 3.87Å; L53-F107 HydrophobicContact CD2-CE2 3.67Å; L53-F107 HydrophobicContact CD2-CZ 4.37Å; L53-F107 HydrophobicContact CG-CD2 3.77Å; L53-F107 HydrophobicContact CG-CE2 3.51Å; L53-M270 HydrophobicContact CB-CE 3.66Å; L53-M270 HydrophobicContact CD1-CE 4.32Å; L53-M270 HydrophobicContact CD2-CE 3.8Å; L53-M270 HydrophobicContact CG-CE 4.11Å
54V94.4Very high95Very high3 Ų333.1 Ų33.12%0.01819%0.188CC..Hα-helixtrans-70.6-51.9176.2172.60000110.3G50 A51 Y52 G56 V57 L58 Y70 L76 I88G50-V54 VanDerWaalsContact O-CG2 3.28Å; G50-V54 WeakPolarHBondContact O-CG2 3.47Å; G50-V54 PolarHBondContact O-N 3.38Å; A51-V54 PolarHBondContact O-N 3.14Å; Y52-V54 VanDerWaalsContact C-N 3.34Å; V54-G56 VanDerWaalsContact C-N 3.3Å; V54-G56 PolarHBondContact O-N 3.47Å; V54-V57 PolarHBondContact O-N 3.11Å; V54-L58 HydrophobicContact CG1-CD1 3.66Å; V54-L58 HydrophobicContact CG1-CG 4.16Å; V54-L58 PolarHBondContact O-N 3.39Å; V54-Y70 HydrophobicContact CG1-CE2 4.05Å; V54-L76 HydrophobicContact CG2-CD1 3.91Å; V54-I88 HydrophobicContact CG2-CG2 4.06Å
55Q95.6Very high94.8Very high0 Ų035.1 Ų35.10%020%0.195CC..Hα-helixtrans-54.2-44.9176.1-177.770.328.800111.7A51 V57 G59 D60 H92 L95 M98 A103A51-Q55 WeakPolarHBondContact O-CB 3.4Å; A51-Q55 PolarHBondContact O-N 3.01Å; Q55-V57 PolarHBondContact O-N 3.48Å; Q55-V57 VanDerWaalsContact O-N 3.09Å; Q55-G59 VanDerWaalsContact O-CA 3.32Å; Q55-G59 WeakPolarHBondContact O-CA 2.96Å; Q55-G59 PolarHBondContact O-N 3.01Å; Q55-G59 PolarHBondContact OE1-O 3.01Å; Q55-D60 PolarHBondContact NE2-OD1 3.1Å; Q55-H92 PolarHBondContact OE1-CD2 3.25Å; Q55-H92 VanDerWaalsContact OE1-CD2 3.25Å; Q55-H92 PolarHBondContact OE1-NE2 2.93Å; Q55-L95 HydrophobicContact CB-CB 4.5Å; Q55-L95 HydrophobicContact CB-CD1 3.94Å; Q55-L95 HydrophobicContact CG-CB 4.1Å; Q55-L95 HydrophobicContact CG-CD1 4.32Å; Q55-L95 PolarHBondContact NE2-O 2.96Å; Q55-M98 HydrophobicContact CG-CB 4.14Å; Q55-M98 HydrophobicContact CG-CG 4.38Å; Q55-M98 HydrophobicContact CG-SD 4.49Å; Q55-M98 PolarHBondContact NE2-O 3.29Å; Q55-A103 HydrophobicContact CB-CB 4.36Å; Q55-A103 HydrophobicContact CG-CB 4.18Å
56G92.9Very high94.6Very high5 Ų533.1 Ų33.15%0.05219%0.185CC..Hα-helixtrans-69.1-4.1-179.700000115.6Y52 V54Y52-G56 PolarHBondContact O-N 3.23Å; V54-G56 VanDerWaalsContact C-N 3.3Å; V54-G56 PolarHBondContact O-N 3.47Å
57V89.5Confident94.2Very high24 Ų2438.7 Ų38.715%0.14521%0.213CC..Hα-helixtrans-126.1-33.4-178173.10000113.8L53 V54 Q55 H269 M270L53-V57 WeakPolarHBondContact O-CG2 3.33Å; V54-V57 PolarHBondContact O-N 3.11Å; Q55-V57 PolarHBondContact O-N 3.48Å; Q55-V57 VanDerWaalsContact O-N 3.09Å; V57-H269 HydrophobicContact CG1-CB 4.48Å; V57-M270 HydrophobicContact CB-CG 3.92Å; V57-M270 HydrophobicContact CG1-CB 3.98Å; V57-M270 HydrophobicContact CG1-CG 3.66Å; V57-M270 HydrophobicContact CG2-CE 3.92Å; V57-M270 HydrophobicContact CG2-CG 3.63Å
58L92Very high93.7Very high45 Ų4541.9 Ų41.924%0.23625%0.246CC..Hα-helixtrans-98.4-19.6177.8-50.6-173.2000112.5V54 H66 Y70 Y74V54-L58 HydrophobicContact CG1-CD1 3.66Å; V54-L58 HydrophobicContact CG1-CG 4.16Å; V54-L58 PolarHBondContact O-N 3.39Å; L58-H66 VanDerWaalsContact CD1-NE2 3.29Å; L58-H66 WeakPolarHBondContact CD1-NE2 3.35Å; L58-Y70 HydrophobicContact CD1-CD2 4.14Å; L58-Y70 HydrophobicContact CD1-CE2 4.32Å; L58-Y74 HydrophobicContact CD1-CE2 3.69Å; L58-Y74 HydrophobicContact CD2-CE1 4.23Å; L58-Y74 HydrophobicContact CD2-CE2 4.28Å; L58-Y74 VanDerWaalsContact CD2-OH 3.28Å; L58-Y74 WeakPolarHBondContact CD2-OH 3.29Å
59G93.2Very high93.3Very high23 Ų2342.1 Ų42.124%0.23725%0.247CC..  trans74.4-154.4-165.300000110.9Q55 H92Q55-G59 VanDerWaalsContact O-CA 3.32Å; Q55-G59 WeakPolarHBondContact O-CA 2.96Å; Q55-G59 PolarHBondContact O-N 3.01Å; Q55-G59 PolarHBondContact OE1-O 3.01Å; G59-H92 PolarHBondContact O-NE2 3.45Å
60D95.9Very high93.1Very high68 Ų6842.4 Ų42.436%0.36425%0.248SC..SBendtrans-65.4151.9-175-72.3-16.3000114Q55 N62 H66 T96 G97Q55-D60 PolarHBondContact NE2-OD1 3.1Å; D60-N62 PolarHBondContact O-N 3.29Å; D60-H66 PolarHBondContact O-CE1 3.44Å; D60-T96 HydrophobicContact CB-CG2 4.23Å; D60-T96 WeakPolarHBondContact OD1-CA 3.38Å; D60-G97 PolarHBondContact OD1-N 2.93Å; D60-G97 PolarHBondContact OD2-N 3.46Å
61Y95.9Very high92.9Very high59 Ų5942.4 Ų42.423%0.23125%0.248CC..  trans-64.4103.1174.6174.2-94.1000112.3P63 H66 Y70 K93Y61-P63 HydrophobicContact CE1-CB 3.93Å; Y61-P63 HydrophobicContact CE1-CG 4.45Å; Y61-H66 HydrophobicContact CD2-CB 3.67Å; Y61-H66 AromaticContact CD2-CG 4Å; Y61-H66 AromaticContact CD2-ND1 3.79Å; Y61-H66 HydrophobicContact CE2-CB 3.5Å; Y61-Y70 HydrophobicContact CD2-CE1 4.44Å; Y61-Y70 HydrophobicContact CE2-CE1 4.15Å; Y61-K93 HydrophobicContact CD1-CB 4.45Å; Y61-K93 HydrophobicContact CD1-CG 3.71Å; Y61-K93 HydrophobicContact CD2-CG 3.76Å; Y61-K93 HydrophobicContact CE1-CD 4.34Å; Y61-K93 HydrophobicContact CE1-CG 3.9Å; Y61-K93 HydrophobicContact CE2-CD 4.38Å; Y61-K93 HydrophobicContact CE2-CG 3.93Å; Y61-K93 HydrophobicContact CG-CB 4.44Å; Y61-K93 HydrophobicContact CG-CG 3.64Å; Y61-K93 VanDerWaalsContact CZ-CE 3.48Å
62N94.6Very high92.6Very high50 Ų5045.3 Ų45.327%0.26727%0.268SS..  trans-93.5119.6163.7-178.6-6.1000111.5D60 S64 E65 H66D60-N62 PolarHBondContact O-N 3.29Å; N62-S64 PolarHBondContact ND2-OG 3.41Å; N62-S64 PolarHBondContact O-N 3.22Å; N62-S64 PolarHBondContact OD1-N 3.48Å; N62-S64 PolarHBondContact OD1-OG 2.9Å; N62-E65 HydrophobicContact CB-CB 4.27Å; N62-E65 HydrophobicContact CB-CG 4.35Å; N62-E65 PolarHBondContact ND2-OE1 3.31Å; N62-E65 PolarHBondContact O-N 2.83Å; N62-H66 PolarHBondContact N-ND1 2.89Å; N62-H66 VanDerWaalsContact N-ND1 3.1Å; N62-H66 VanDerWaalsContact O-CB 3.3Å; N62-H66 WeakPolarHBondContact O-CB 3.36Å; N62-H66 PolarHBondContact O-N 3.4Å; N62-H66 PolarHBondContact O-ND1 3.28Å
63P93Very high92.1Very high86 Ų8649.8 Ų49.856%0.55829%0.291SS*.THydrogen-bonded Turntrans-66.3-17.9178.727.6-35.7000115Y61Y61-P63 HydrophobicContact CE1-CB 3.93Å; Y61-P63 HydrophobicContact CE1-CG 4.45Å
64S92.8Very high91.7Very high82 Ų8250.7 Ų50.757%0.57329%0.294SS*.THydrogen-bonded Turntrans-82.6-19.2175.763.20000113.8N62 I67N62-S64 PolarHBondContact ND2-OG 3.41Å; N62-S64 PolarHBondContact O-N 3.22Å; N62-S64 PolarHBondContact OD1-N 3.48Å; N62-S64 PolarHBondContact OD1-OG 2.9Å; S64-I67 WeakPolarHBondContact O-CD1 3.18Å
65E90.7Very high91.3Very high133 Ų13357.6 Ų57.662%0.62132%0.324SS*.THydrogen-bonded Turntrans-102.9-41.5177.1-66.8169.8-137.800111.1N62 I67N62-E65 HydrophobicContact CB-CB 4.27Å; N62-E65 HydrophobicContact CB-CG 4.35Å; N62-E65 PolarHBondContact ND2-OE1 3.31Å; N62-E65 PolarHBondContact O-N 2.83Å; E65-I67 VanDerWaalsContact C-N 3.27Å; E65-I67 PolarHBondContact O-N 3.37Å
66H92Very high90.9Very high12 Ų1257.6 Ų57.66%0.05632%0.324CS..SBendtrans-88.953.7-175.8-61.2127.6000112.9L58 D60 Y61 N62 Y70 H92L58-H66 VanDerWaalsContact CD1-NE2 3.29Å; L58-H66 WeakPolarHBondContact CD1-NE2 3.35Å; D60-H66 PolarHBondContact O-CE1 3.44Å; Y61-H66 HydrophobicContact CD2-CB 3.67Å; Y61-H66 AromaticContact CD2-CG 4Å; Y61-H66 AromaticContact CD2-ND1 3.79Å; Y61-H66 HydrophobicContact CE2-CB 3.5Å; N62-H66 PolarHBondContact N-ND1 2.89Å; N62-H66 VanDerWaalsContact N-ND1 3.1Å; N62-H66 VanDerWaalsContact O-CB 3.3Å; N62-H66 WeakPolarHBondContact O-CB 3.36Å; N62-H66 PolarHBondContact O-N 3.4Å; N62-H66 PolarHBondContact O-ND1 3.28Å; H66-Y70 HydrophobicContact CB-CD1 3.66Å; H66-Y70 HydrophobicContact CB-CD2 4.08Å; H66-Y70 HydrophobicContact CB-CE1 3.75Å; H66-Y70 HydrophobicContact CB-CE2 4.14Å; H66-Y70 HydrophobicContact CB-CG 3.84Å; H66-Y70 AromaticContact CD2-CD2 3.51Å; H66-Y70 AromaticContact CD2-CE2 3.77Å; H66-Y70 AromaticContact CD2-CG 3.99Å; H66-Y70 AromaticContact CG-CE2 3.99Å; H66-Y70 WeakPolarHBondContact O-CD1 3.42Å; H66-H92 AromaticContact CE1-CE1 3.85Å
67I87.5Confident90.8Very high124 Ų12458.6 Ų58.664%0.63633%0.326SS*.  trans-75.5136.4-177-55.8174.8000110.7S64 E65S64-I67 WeakPolarHBondContact O-CD1 3.18Å; E65-I67 VanDerWaalsContact C-N 3.27Å; E65-I67 PolarHBondContact O-N 3.37Å
68G87.5Confident90.5Very high67 Ų6761.4 Ų61.469%0.69134%0.344SS*.SBendtrans62.1-137.917500000113.3Y70G68-Y70 VanDerWaalsContact C-N 3.34Å; G68-Y70 PolarHBondContact O-N 3.02Å
69N88.5Confident90.1Very high65 Ų6563.7 Ų63.735%0.34836%0.356SS..SBendtrans-91.962.1176.5-172.51.7000111.4V71 S72 E85N69-V71 PolarHBondContact O-N 3.38Å; N69-S72 WeakPolarHBondContact O-CB 3.43Å; N69-S72 PolarHBondContact O-N 3.39Å; N69-S72 PolarHBondContact O-OG 3.37Å; N69-S72 PolarHBondContact OD1-N 2.91Å; N69-E85 PolarHBondContact ND2-OE2 3.07Å
70Y92.8Very high89.8Confident6 Ų664.7 Ų64.72%0.02436%0.355CS..G310 helixtrans-57.8-27.9177.565.5-81000112.9V54 L58 Y61 H66 G68 S72 Q73 Y74 A89 H92V54-Y70 HydrophobicContact CG1-CE2 4.05Å; L58-Y70 HydrophobicContact CD1-CD2 4.14Å; L58-Y70 HydrophobicContact CD1-CE2 4.32Å; Y61-Y70 HydrophobicContact CD2-CE1 4.44Å; Y61-Y70 HydrophobicContact CE2-CE1 4.15Å; H66-Y70 HydrophobicContact CB-CD1 3.66Å; H66-Y70 HydrophobicContact CB-CD2 4.08Å; H66-Y70 HydrophobicContact CB-CE1 3.75Å; H66-Y70 HydrophobicContact CB-CE2 4.14Å; H66-Y70 HydrophobicContact CB-CG 3.84Å; H66-Y70 AromaticContact CD2-CD2 3.51Å; H66-Y70 AromaticContact CD2-CE2 3.77Å; H66-Y70 AromaticContact CD2-CG 3.99Å; H66-Y70 AromaticContact CG-CE2 3.99Å; H66-Y70 WeakPolarHBondContact O-CD1 3.42Å; G68-Y70 VanDerWaalsContact C-N 3.34Å; G68-Y70 PolarHBondContact O-N 3.02Å; Y70-S72 VanDerWaalsContact C-N 3.26Å; Y70-S72 PolarHBondContact O-N 2.87Å; Y70-Q73 WeakPolarHBondContact O-CB 3.43Å; Y70-Q73 WeakPolarHBondContact O-CG 3.45Å; Y70-Q73 PolarHBondContact O-N 2.86Å; Y70-Y74 WeakPolarHBondContact O-CD2 3.35Å; Y70-Y74 WeakPolarHBondContact O-CE2 3.38Å; Y70-A89 HydrophobicContact CE1-CB 3.97Å; Y70-H92 AromaticContact CE2-ND1 3.6Å; Y70-H92 AromaticContact CZ-ND1 3.61Å; Y70-H92 PolarHBondContact OH-ND1 3.26Å
71V93Very high89.6Confident0 Ų065.8 Ų65.80%036%0.359CS..G310 helixtrans-60.6-35177.8-179.80000111.8N69 Q73 Y74 L76 Q80 E85 I88 A89N69-V71 PolarHBondContact O-N 3.38Å; V71-Q73 PolarHBondContact O-N 3.44Å; V71-Q73 VanDerWaalsContact O-N 3.12Å; V71-Y74 PolarHBondContact O-N 3.41Å; V71-L76 HydrophobicContact CG1-CD1 3.98Å; V71-Q80 PolarHBondContact O-NE2 2.94Å; V71-E85 HydrophobicContact CB-CB 4.2Å; V71-E85 HydrophobicContact CG1-CB 4.1Å; V71-E85 HydrophobicContact CG1-CG 4.21Å; V71-I88 HydrophobicContact CG1-CB 4.07Å; V71-I88 HydrophobicContact CG1-CD1 4.21Å; V71-I88 HydrophobicContact CG1-CG2 3.72Å; V71-I88 HydrophobicContact CG2-CB 4.47Å; V71-I88 HydrophobicContact CG2-CG2 3.93Å; V71-A89 HydrophobicContact CG2-CB 3.84Å
72S90.5Very high89.5Confident60 Ų6066.8 Ų66.842%0.4237%0.373SS..G310 helixtrans-61.1-19.517869.50000115.1N69 Y70 Y74 E85N69-S72 WeakPolarHBondContact O-CB 3.43Å; N69-S72 PolarHBondContact O-N 3.39Å; N69-S72 PolarHBondContact O-OG 3.37Å; N69-S72 PolarHBondContact OD1-N 2.91Å; Y70-S72 VanDerWaalsContact C-N 3.26Å; Y70-S72 PolarHBondContact O-N 2.87Å; S72-Y74 PolarHBondContact O-N 2.9Å; S72-E85 WeakPolarHBondContact CA-OE1 3.3Å; S72-E85 VanDerWaalsContact CB-OE1 3.32Å; S72-E85 WeakPolarHBondContact CB-OE1 3.3Å
73Q86.6Confident89.5Confident128 Ų12874.2 Ų74.260%0.59840%0.398SS*.G310 helixtrans-71.9-20.3175-55.5-17912.600112Y70 V71Y70-Q73 WeakPolarHBondContact O-CB 3.43Å; Y70-Q73 WeakPolarHBondContact O-CG 3.45Å; Y70-Q73 PolarHBondContact O-N 2.86Å; V71-Q73 PolarHBondContact O-N 3.44Å; V71-Q73 VanDerWaalsContact O-N 3.12Å
74Y87.2Confident89.5Confident25 Ų2571.1 Ų71.110%0.09838%0.376CS..SBendtrans-104.4117.3-177.7-54.7-68000110.2L58 Y70 V71 S72 L76 Q80 M270 L271L58-Y74 HydrophobicContact CD1-CE2 3.69Å; L58-Y74 HydrophobicContact CD2-CE1 4.23Å; L58-Y74 HydrophobicContact CD2-CE2 4.28Å; L58-Y74 VanDerWaalsContact CD2-OH 3.28Å; L58-Y74 WeakPolarHBondContact CD2-OH 3.29Å; Y70-Y74 WeakPolarHBondContact O-CD2 3.35Å; Y70-Y74 WeakPolarHBondContact O-CE2 3.38Å; V71-Y74 PolarHBondContact O-N 3.41Å; S72-Y74 PolarHBondContact O-N 2.9Å; Y74-L76 PolarHBondContact O-N 3.34Å; Y74-Q80 PolarHBondContact O-NE2 2.95Å; Y74-Q80 PolarHBondContact O-OE1 3.09Å; Y74-Q80 VanDerWaalsContact O-OE1 3.08Å; Y74-M270 HydrophobicContact CD1-CB 3.37Å; Y74-M270 HydrophobicContact CD1-CG 4.46Å; Y74-M270 HydrophobicContact CE1-CB 3.91Å; Y74-M270 HydrophobicContact CG-CB 4.28Å; Y74-L271 HydrophobicContact CE1-CD2 4.07Å
75K85.2Confident89.7Confident148 Ų14868 Ų6864%0.64335%0.353SS*.  trans-78.485.7175.8-65.1-176.1-179.8179.80109.9
76L88.7Confident89.9Confident0 Ų067.4 Ų67.40%035%0.35CS..  trans-87.9-42.4-176.8-59.3170.7000111.8I34 L53 V54 V71 Y74 I88 M270I34-L76 WeakPolarHBondContact CG2-O 3.49Å; L53-L76 HydrophobicContact CB-CD2 4.04Å; L53-L76 HydrophobicContact CD1-CD2 4.08Å; V54-L76 HydrophobicContact CG2-CD1 3.91Å; V71-L76 HydrophobicContact CG1-CD1 3.98Å; Y74-L76 PolarHBondContact O-N 3.34Å; L76-I88 HydrophobicContact CD1-CD1 4.02Å; L76-I88 HydrophobicContact CD1-CG2 4.48Å; L76-M270 HydrophobicContact CD2-CE 4.21Å; L76-M270 HydrophobicContact CD2-SD 3.58Å; L76-M270 VanDerWaalsContact CD2-SD 3.58Å
77F89.6Confident90.1Very high25 Ų2570.7 Ų70.711%0.1136%0.364CS..  trans-124.8159-173.2-61.3-85.8000113I34 A46 Q80 L84 I88I34-F77 HydrophobicContact CD1-CE1 4.44Å; I34-F77 HydrophobicContact CG2-CD1 3.27Å; I34-F77 HydrophobicContact CG2-CE1 3.46Å; I34-F77 VanDerWaalsContact CG2-CE1 3.46Å; I34-F77 HydrophobicContact CG2-CG 4.15Å; I34-F77 HydrophobicContact CG2-CZ 4.44Å; A46-F77 HydrophobicContact CB-CD1 4.37Å; A46-F77 HydrophobicContact CB-CE1 3.82Å; A46-F77 HydrophobicContact CB-CZ 4.09Å; A46-F77 WeakPolarHBondContact O-CZ 3.39Å; F77-Q80 HydrophobicContact CB-CB 4.3Å; F77-L84 HydrophobicContact CD2-CD2 3.8Å; F77-L84 HydrophobicContact CE2-CD2 4.31Å; F77-L84 HydrophobicContact CG-CD2 4.08Å; F77-I88 HydrophobicContact CD2-CD1 4.35Å; F77-I88 HydrophobicContact CE2-CD1 3.82Å
78V83.6Confident90.5Very high83 Ų8364.8 Ų64.850%0.50333%0.334SS..THydrogen-bonded Turntrans-61.8-49173.2179.30000111I34 R35I34-V78 WeakPolarHBondContact O-CG2 3.37Å; R35-V78 VanDerWaalsContact O-CG2 3.32Å; R35-V78 WeakPolarHBondContact O-CG2 3.03Å
79N82.5Confident91Very high94 Ų9462.2 Ų62.250%0.50331%0.306SS..THydrogen-bonded Turntrans-112.166.4178.6-75.212000109.6I81 L364N79-I81 PolarHBondContact O-N 2.78Å; N79-L364 VanDerWaalsContact ND2-CD2 3.3Å; N79-L364 WeakPolarHBondContact ND2-CD2 3.48Å
80Q87.9Confident91.4Very high43 Ų4362.1 Ų62.120%0.20131%0.31CS..  trans-74117.4173.1-166167.2-51.100109.2V71 Y74 F77 E85V71-Q80 PolarHBondContact O-NE2 2.94Å; Y74-Q80 PolarHBondContact O-NE2 2.95Å; Y74-Q80 PolarHBondContact O-OE1 3.09Å; Y74-Q80 VanDerWaalsContact O-OE1 3.08Å; F77-Q80 HydrophobicContact CB-CB 4.3Å; Q80-E85 HydrophobicContact CG-CG 3.68Å; Q80-E85 WeakPolarHBondContact CG-OE1 3.45Å; Q80-E85 PolarHBondContact NE2-OE1 2.87Å
81I92.1Very high91.6Very high91 Ų9163.2 Ų63.247%0.46732%0.316SS..  trans-118.4152.3-178.260.5172.2000110.2N79 R83 L84 E85N79-I81 PolarHBondContact O-N 2.78Å; I81-R83 VanDerWaalsContact C-N 3.31Å; I81-R83 PolarHBondContact O-N 3.33Å; I81-R83 VanDerWaalsContact O-N 3.16Å; I81-L84 HydrophobicContact CG1-CB 3.92Å; I81-L84 WeakPolarHBondContact O-CA 3.27Å; I81-L84 WeakPolarHBondContact O-CB 3.43Å; I81-L84 PolarHBondContact O-N 3.47Å; I81-E85 PolarHBondContact O-N 3.02Å; I81-E85 VanDerWaalsContact O-N 3.13Å
82P93.1Very high91.8Very high81 Ų8163.2 Ų63.253%0.52632%0.316SS..Hα-helixtrans-52.7-42.3-175.3-30.636.5000114.6L84 E85 E86P82-L84 PolarHBondContact O-N 2.88Å; P82-E85 WeakPolarHBondContact O-CB 3.22Å; P82-E85 PolarHBondContact O-N 2.91Å; P82-E86 WeakPolarHBondContact O-CG 3.45Å; P82-E86 PolarHBondContact O-N 3.38Å
83R94Very high92.1Very high205 Ų20565.3 Ų65.377%0.77432%0.318SS*.Hα-helixtrans-58.7-31.5175.6-69.2-177.4177.1173.7-1.9114I81 K87I81-R83 VanDerWaalsContact C-N 3.31Å; I81-R83 PolarHBondContact O-N 3.33Å; I81-R83 VanDerWaalsContact O-N 3.16Å; R83-K87 WeakPolarHBondContact O-CB 3.37Å; R83-K87 PolarHBondContact O-N 2.88Å
84L94.6Very high92.6Very high22 Ų2264.5 Ų64.512%0.11532%0.322CS..Hα-helixtrans-77.2-40.1175.4177.361.2000110.4A46 A47 F77 I81 P82 K87 I88A46-L84 HydrophobicContact CB-CD1 4.06Å; A46-L84 HydrophobicContact CB-CD2 4.46Å; A47-L84 HydrophobicContact CB-CD1 3.95Å; F77-L84 HydrophobicContact CD2-CD2 3.8Å; F77-L84 HydrophobicContact CE2-CD2 4.31Å; F77-L84 HydrophobicContact CG-CD2 4.08Å; I81-L84 HydrophobicContact CG1-CB 3.92Å; I81-L84 WeakPolarHBondContact O-CA 3.27Å; I81-L84 WeakPolarHBondContact O-CB 3.43Å; I81-L84 PolarHBondContact O-N 3.47Å; P82-L84 PolarHBondContact O-N 2.88Å; L84-K87 PolarHBondContact O-N 3.38Å; L84-I88 HydrophobicContact CD1-CD1 4.15Å; L84-I88 HydrophobicContact CD1-CG1 4.33Å; L84-I88 HydrophobicContact CG-CD1 3.87Å; L84-I88 HydrophobicContact CG-CG1 4.49Å; L84-I88 VanDerWaalsContact O-CG1 3.25Å; L84-I88 WeakPolarHBondContact O-CG1 3.36Å; L84-I88 PolarHBondContact O-N 3.36Å
85E95.3Very high93.1Very high16 Ų1664.1 Ų64.18%0.07532%0.321CS..Hα-helixtrans-64.2-43.8177.7-60.8175.9146.700112N69 V71 S72 Q80 I81 P82 K87 I88 A89N69-E85 PolarHBondContact ND2-OE2 3.07Å; V71-E85 HydrophobicContact CB-CB 4.2Å; V71-E85 HydrophobicContact CG1-CB 4.1Å; V71-E85 HydrophobicContact CG1-CG 4.21Å; S72-E85 WeakPolarHBondContact CA-OE1 3.3Å; S72-E85 VanDerWaalsContact CB-OE1 3.32Å; S72-E85 WeakPolarHBondContact CB-OE1 3.3Å; Q80-E85 HydrophobicContact CG-CG 3.68Å; Q80-E85 WeakPolarHBondContact CG-OE1 3.45Å; Q80-E85 PolarHBondContact NE2-OE1 2.87Å; I81-E85 PolarHBondContact O-N 3.02Å; I81-E85 VanDerWaalsContact O-N 3.13Å; P82-E85 WeakPolarHBondContact O-CB 3.22Å; P82-E85 PolarHBondContact O-N 2.91Å; E85-K87 VanDerWaalsContact C-N 3.31Å; E85-K87 PolarHBondContact O-N 3.48Å; E85-I88 PolarHBondContact O-N 3.13Å; E85-A89 VanDerWaalsContact O-CB 3.32Å; E85-A89 WeakPolarHBondContact O-CB 3.35Å; E85-A89 PolarHBondContact O-N 3.42Å
86E95.5Very high93.6Very high121 Ų12161.5 Ų61.557%0.56532%0.318SS*.Hα-helixtrans-57.2-43172.1-72.7164-167.400111.8P82 A89 S90P82-E86 WeakPolarHBondContact O-CG 3.45Å; P82-E86 PolarHBondContact O-N 3.38Å; E86-A89 PolarHBondContact O-N 2.94Å; E86-S90 PolarHBondContact O-N 2.87Å; E86-S90 PolarHBondContact O-OG 3.25Å
87K96.2Very high94Very high81 Ų8164.4 Ų64.435%0.35235%0.348SS..Hα-helixtrans-71.9-36.1178.8-165.6175.1177.2168.50112.6N44 A47 R83 L84 E85 S90 I91N44-K87 PolarHBondContact OD1-NZ 2.85Å; A47-K87 HydrophobicContact CB-CB 4.12Å; A47-K87 HydrophobicContact CB-CD 3.69Å; A47-K87 HydrophobicContact CB-CG 3.68Å; R83-K87 WeakPolarHBondContact O-CB 3.37Å; R83-K87 PolarHBondContact O-N 2.88Å; L84-K87 PolarHBondContact O-N 3.38Å; E85-K87 VanDerWaalsContact C-N 3.31Å; E85-K87 PolarHBondContact O-N 3.48Å; K87-S90 PolarHBondContact O-OG 3.45Å; K87-S90 VanDerWaalsContact O-OG 3.04Å; K87-I91 HydrophobicContact CG-CD1 4.24Å; K87-I91 WeakPolarHBondContact O-CD1 3.29Å; K87-I91 VanDerWaalsContact O-CG1 3.25Å; K87-I91 WeakPolarHBondContact O-CG1 3.45Å; K87-I91 PolarHBondContact O-N 3.21Å; K87-I91 VanDerWaalsContact O-N 3.14Å
88I97Very high94.4Very high0 Ų065.2 Ų65.20%035%0.353CS..Hα-helixtrans-63.3-46.1170.8-71163.8000109.7A47 A51 V54 V71 L76 F77 L84 E85 S90 I91 H92A47-I88 HydrophobicContact CB-CG1 4.4Å; A51-I88 HydrophobicContact CB-CG2 4.49Å; V54-I88 HydrophobicContact CG2-CG2 4.06Å; V71-I88 HydrophobicContact CG1-CB 4.07Å; V71-I88 HydrophobicContact CG1-CD1 4.21Å; V71-I88 HydrophobicContact CG1-CG2 3.72Å; V71-I88 HydrophobicContact CG2-CB 4.47Å; V71-I88 HydrophobicContact CG2-CG2 3.93Å; L76-I88 HydrophobicContact CD1-CD1 4.02Å; L76-I88 HydrophobicContact CD1-CG2 4.48Å; F77-I88 HydrophobicContact CD2-CD1 4.35Å; F77-I88 HydrophobicContact CE2-CD1 3.82Å; L84-I88 HydrophobicContact CD1-CD1 4.15Å; L84-I88 HydrophobicContact CD1-CG1 4.33Å; L84-I88 HydrophobicContact CG-CD1 3.87Å; L84-I88 HydrophobicContact CG-CG1 4.49Å; L84-I88 VanDerWaalsContact O-CG1 3.25Å; L84-I88 WeakPolarHBondContact O-CG1 3.36Å; L84-I88 PolarHBondContact O-N 3.36Å; E85-I88 PolarHBondContact O-N 3.13Å; I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 3.47Å; I88-I91 PolarHBondContact O-N 3.44Å; I88-H92 WeakPolarHBondContact O-CB 3.17Å; I88-H92 PolarHBondContact O-N 3.17Å
89A96.5Very high94.9Very high12 Ų1263.3 Ų63.310%0.09934%0.343CS..Hα-helixtrans-66.8-31.6-179.500000113.2Y70 V71 E85 E86 K93Y70-A89 HydrophobicContact CE1-CB 3.97Å; V71-A89 HydrophobicContact CG2-CB 3.84Å; E85-A89 VanDerWaalsContact O-CB 3.32Å; E85-A89 WeakPolarHBondContact O-CB 3.35Å; E85-A89 PolarHBondContact O-N 3.42Å; E86-A89 PolarHBondContact O-N 2.94Å; A89-K93 WeakPolarHBondContact O-CG 3.39Å; A89-K93 PolarHBondContact O-N 3.38Å
90S96.6Very high95.4Very high64 Ų6461 Ų6145%0.44833%0.333SS..Hα-helixtrans-74.2-39.6175.568.30000112.3E86 K87 I88E86-S90 PolarHBondContact O-N 2.87Å; E86-S90 PolarHBondContact O-OG 3.25Å; K87-S90 PolarHBondContact O-OG 3.45Å; K87-S90 VanDerWaalsContact O-OG 3.04Å; I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 3.47Å
91I97.7Very high95.7Very high29 Ų2959.8 Ų59.815%0.14933%0.331CS..Hα-helixtrans-67.2-42.8173.7-63.2164.1000110.5A47 L48 A51 K87 I88 K93 T94 L95A47-I91 HydrophobicContact CB-CD1 3.75Å; L48-I91 HydrophobicContact CD2-CD1 4.22Å; L48-I91 HydrophobicContact CD2-CG2 4.33Å; A51-I91 HydrophobicContact CB-CB 3.72Å; A51-I91 HydrophobicContact CB-CG2 3.4Å; A51-I91 VanDerWaalsContact CB-CG2 3.4Å; K87-I91 HydrophobicContact CG-CD1 4.24Å; K87-I91 WeakPolarHBondContact O-CD1 3.29Å; K87-I91 VanDerWaalsContact O-CG1 3.25Å; K87-I91 WeakPolarHBondContact O-CG1 3.45Å; K87-I91 PolarHBondContact O-N 3.21Å; K87-I91 VanDerWaalsContact O-N 3.14Å; I88-I91 PolarHBondContact O-N 3.44Å; I91-K93 PolarHBondContact O-N 3.27Å; I91-T94 PolarHBondContact O-N 3.28Å; I91-T94 PolarHBondContact O-OG1 3.13Å; I91-L95 HydrophobicContact CG2-CD1 4.46Å; I91-L95 HydrophobicContact CG2-CG 4.49Å
92H97.7Very high95.9Very high0 Ų060.3 Ų60.30%033%0.331CS..Hα-helixtrans-55.9-37.9179.2-178.5-140.8000112.6Q55 G59 H66 Y70 I88 T94 L95Q55-H92 PolarHBondContact OE1-CD2 3.25Å; Q55-H92 VanDerWaalsContact OE1-CD2 3.25Å; Q55-H92 PolarHBondContact OE1-NE2 2.93Å; G59-H92 PolarHBondContact O-NE2 3.45Å; H66-H92 AromaticContact CE1-CE1 3.85Å; Y70-H92 AromaticContact CE2-ND1 3.6Å; Y70-H92 AromaticContact CZ-ND1 3.61Å; Y70-H92 PolarHBondContact OH-ND1 3.26Å; I88-H92 WeakPolarHBondContact O-CB 3.17Å; I88-H92 PolarHBondContact O-N 3.17Å; H92-T94 PolarHBondContact O-N 3.05Å; H92-T94 VanDerWaalsContact O-N 3.14Å; H92-L95 PolarHBondContact O-N 3.35Å; H92-L95 VanDerWaalsContact O-N 3.1Å
93K96.8Very high96.1Very high104 Ų10456.5 Ų56.545%0.45231%0.307SS..THydrogen-bonded Turntrans-61.5-18.6174.2-69.6169.2-174.3-173.40114.5Y61 A89 I91Y61-K93 HydrophobicContact CD1-CB 4.45Å; Y61-K93 HydrophobicContact CD1-CG 3.71Å; Y61-K93 HydrophobicContact CD2-CG 3.76Å; Y61-K93 HydrophobicContact CE1-CD 4.34Å; Y61-K93 HydrophobicContact CE1-CG 3.9Å; Y61-K93 HydrophobicContact CE2-CD 4.38Å; Y61-K93 HydrophobicContact CE2-CG 3.93Å; Y61-K93 HydrophobicContact CG-CB 4.44Å; Y61-K93 HydrophobicContact CG-CG 3.64Å; Y61-K93 VanDerWaalsContact CZ-CE 3.48Å; A89-K93 WeakPolarHBondContact O-CG 3.39Å; A89-K93 PolarHBondContact O-N 3.38Å; I91-K93 PolarHBondContact O-N 3.27Å
94T97.2Very high96.2Very high111 Ų11147.1 Ų47.168%0.68127%0.272SS*.THydrogen-bonded Turntrans-99.1-117868.90000113.4I91 H92I91-T94 PolarHBondContact O-N 3.28Å; I91-T94 PolarHBondContact O-OG1 3.13Å; H92-T94 PolarHBondContact O-N 3.05Å; H92-T94 VanDerWaalsContact O-N 3.14Å
95L97.5Very high96.3Very high17 Ų1748 Ų489%0.08928%0.278CS..  trans-955.1-178.5-60.7-178.3000113.8A51 Y52 Q55 I91 H92 G97 M98A51-L95 HydrophobicContact CB-CD1 3.96Å; Y52-L95 HydrophobicContact CD1-CD1 3.85Å; Y52-L95 HydrophobicContact CD1-CD2 4.47Å; Y52-L95 HydrophobicContact CE1-CD1 4.12Å; Y52-L95 HydrophobicContact CE1-CD2 3.95Å; Q55-L95 HydrophobicContact CB-CB 4.5Å; Q55-L95 HydrophobicContact CB-CD1 3.94Å; Q55-L95 HydrophobicContact CG-CB 4.1Å; Q55-L95 HydrophobicContact CG-CD1 4.32Å; Q55-L95 PolarHBondContact NE2-O 2.96Å; I91-L95 HydrophobicContact CG2-CD1 4.46Å; I91-L95 HydrophobicContact CG2-CG 4.49Å; H92-L95 PolarHBondContact O-N 3.35Å; H92-L95 VanDerWaalsContact O-N 3.1Å; L95-G97 PolarHBondContact O-N 2.68Å; L95-M98 HydrophobicContact CD2-CE 3.86Å; L95-M98 HydrophobicContact CD2-SD 4.34Å; L95-M98 WeakPolarHBondContact O-CB 3.42Å; L95-M98 PolarHBondContact O-N 3.41Å
96T96.3Very high96.5Very high92 Ų9250.7 Ų50.756%0.56429%0.29SS*.THydrogen-bonded Turntrans-49.8128-179.8-50.40000112.6D60D60-T96 HydrophobicContact CB-CG2 4.23Å; D60-T96 WeakPolarHBondContact OD1-CA 3.38Å
97G96.4Very high96.6Very high62 Ų6245 Ų4564%0.63926%0.263SS*.THydrogen-bonded Turntrans91.3-7.1-175.100000114.5D60 L95 S99D60-G97 PolarHBondContact OD1-N 2.93Å; D60-G97 PolarHBondContact OD2-N 3.46Å; L95-G97 PolarHBondContact O-N 2.68Å; G97-S99 PolarHBondContact O-N 3.37Å
98M97.2Very high96.7Very high41 Ų4141.1 Ų41.120%0.20225%0.246CC..  trans-78.2118.7177.7-176.3176.2-68.400111.1Y52 Q55 L95 E102 A103 K106Y52-M98 HydrophobicContact CD1-SD 3.97Å; Y52-M98 HydrophobicContact CE1-CE 4.17Å; Y52-M98 HydrophobicContact CE1-SD 4.04Å; Q55-M98 HydrophobicContact CG-CB 4.14Å; Q55-M98 HydrophobicContact CG-CG 4.38Å; Q55-M98 HydrophobicContact CG-SD 4.49Å; Q55-M98 PolarHBondContact NE2-O 3.29Å; L95-M98 HydrophobicContact CD2-CE 3.86Å; L95-M98 HydrophobicContact CD2-SD 4.34Å; L95-M98 WeakPolarHBondContact O-CB 3.42Å; L95-M98 PolarHBondContact O-N 3.41Å; M98-E102 HydrophobicContact CG-CB 3.8Å; M98-A103 HydrophobicContact CG-CB 4.28Å; M98-A103 HydrophobicContact SD-CB 4.01Å; M98-K106 HydrophobicContact CE-CG 4.22Å; M98-K106 HydrophobicContact SD-CG 4.45Å
99S95Very high96.7Very high43 Ų4345.4 Ų45.430%0.30127%0.266SS..  trans-67.2155.1176.268.50000112.1G97 A101 E102 A103G97-S99 PolarHBondContact O-N 3.37Å; S99-A101 PolarHBondContact O-N 3.47Å; S99-A101 VanDerWaalsContact O-N 3.14Å; S99-E102 VanDerWaalsContact CB-OE2 3.26Å; S99-E102 WeakPolarHBondContact CB-OE2 3.31Å; S99-E102 PolarHBondContact N-OE2 3.32Å; S99-E102 PolarHBondContact O-N 3.48Å; S99-E102 VanDerWaalsContact OG-CD 3.28Å; S99-E102 VanDerWaalsContact OG-CG 3.3Å; S99-E102 WeakPolarHBondContact OG-CG 3.39Å; S99-E102 PolarHBondContact OG-N 3.47Å; S99-E102 PolarHBondContact OG-OE2 3.37Å; S99-A103 PolarHBondContact O-N 3.33Å
100P94Very high96.7Very high45 Ų4545.9 Ų45.929%0.29227%0.268SS..Hα-helixtrans-57.3-28.1174-28.737.3000114.5D104 R267P100-D104 VanDerWaalsContact O-CG 3.29Å; P100-D104 PolarHBondContact O-N 3.31Å; P100-R267 VanDerWaalsContact CB-CZ 3.46Å; P100-R267 PolarHBondContact O-NH1 3.26Å
101A93.9Very high96.8Very high19 Ų1942.9 Ų42.916%0.15725%0.246CC..Hα-helixtrans-72.1-37176.200000112.6E20 S99 T105E20-A101 VanDerWaalsContact CD-CB 3.49Å; E20-A101 HydrophobicContact CG-CB 3.85Å; S99-A101 PolarHBondContact O-N 3.47Å; S99-A101 VanDerWaalsContact O-N 3.14Å; A101-T105 PolarHBondContact O-N 2.7Å; A101-T105 PolarHBondContact O-OG1 3.29Å
102E96.3Very high96.7Very high102 Ų10243.2 Ų43.248%0.47725%0.25SC..Hα-helixtrans-72.5-41.2172.8-70.7161.8132.300110.9M98 S99 D104 T105 K106M98-E102 HydrophobicContact CG-CB 3.8Å; S99-E102 VanDerWaalsContact CB-OE2 3.26Å; S99-E102 WeakPolarHBondContact CB-OE2 3.31Å; S99-E102 PolarHBondContact N-OE2 3.32Å; S99-E102 PolarHBondContact O-N 3.48Å; S99-E102 VanDerWaalsContact OG-CD 3.28Å; S99-E102 VanDerWaalsContact OG-CG 3.3Å; S99-E102 WeakPolarHBondContact OG-CG 3.39Å; S99-E102 PolarHBondContact OG-N 3.47Å; S99-E102 PolarHBondContact OG-OE2 3.37Å; E102-D104 PolarHBondContact O-N 3.5Å; E102-T105 CarbonylContact O-C 3.58Å; E102-T105 WeakPolarHBondContact O-CA 3.34Å; E102-T105 WeakPolarHBondContact O-CB 3.39Å; E102-T105 PolarHBondContact O-N 3.48Å; E102-K106 WeakPolarHBondContact O-CG 3.31Å; E102-K106 PolarHBondContact O-N 3.28Å
103A96.9Very high96.6Very high1 Ų148.2 Ų48.21%0.00828%0.281CS..Hα-helixtrans-59.2-4417500000111.9Q55 M98 S99 T105 K106 F107Q55-A103 HydrophobicContact CB-CB 4.36Å; Q55-A103 HydrophobicContact CG-CB 4.18Å; M98-A103 HydrophobicContact CG-CB 4.28Å; M98-A103 HydrophobicContact SD-CB 4.01Å; S99-A103 PolarHBondContact O-N 3.33Å; A103-T105 VanDerWaalsContact C-N 3.29Å; A103-T105 PolarHBondContact O-N 3.15Å; A103-K106 PolarHBondContact O-N 2.83Å; A103-F107 VanDerWaalsContact O-CB 3.3Å; A103-F107 WeakPolarHBondContact O-CB 3.32Å; A103-F107 PolarHBondContact O-N 2.94Å
104D96.6Very high96.5Very high7 Ų743.9 Ų43.94%0.03726%0.262CS..Hα-helixtrans-59.8-40.1172-74.5-22000111.8V27 P100 E102 F107 L108 R267V27-D104 HydrophobicContact CG2-CB 3.87Å; P100-D104 VanDerWaalsContact O-CG 3.29Å; P100-D104 PolarHBondContact O-N 3.31Å; E102-D104 PolarHBondContact O-N 3.5Å; D104-F107 PolarHBondContact O-N 3.17Å; D104-L108 VanDerWaalsContact O-CG 3.3Å; D104-L108 WeakPolarHBondContact O-CG 3.35Å; D104-L108 PolarHBondContact O-N 2.89Å; D104-R267 VanDerWaalsContact CG-NH1 3.32Å; D104-R267 IonicContact OD1-NH1 3.49Å; D104-R267 PolarHBondContact OD1-NH1 3.07Å; D104-R267 IonicContact OD2-CZ 3.18Å; D104-R267 IonicContact OD2-NH1 3.49Å; D104-R267 PolarHBondContact OD2-NH1 3.28Å; D104-R267 IonicContact OD2-NH2 2.92Å; D104-R267 PolarHBondContact OD2-NH2 2.88Å
105T97Very high96.2Very high40 Ų4042.3 Ų42.325%0.24525%0.25CC..Hα-helixtrans-68.3-45.4-179.1-54.40000110.7R23 A101 E102 A103 L108 E109R23-T105 PolarHBondContact NE-OG1 2.88Å; A101-T105 PolarHBondContact O-N 2.7Å; A101-T105 PolarHBondContact O-OG1 3.29Å; E102-T105 CarbonylContact O-C 3.58Å; E102-T105 WeakPolarHBondContact O-CA 3.34Å; E102-T105 WeakPolarHBondContact O-CB 3.39Å; E102-T105 PolarHBondContact O-N 3.48Å; A103-T105 VanDerWaalsContact C-N 3.29Å; A103-T105 PolarHBondContact O-N 3.15Å; T105-L108 PolarHBondContact O-N 3.3Å; T105-E109 WeakPolarHBondContact O-CG 3.29Å; T105-E109 PolarHBondContact O-N 2.76Å
106K97.7Very high96Very high74 Ų7442.2 Ų42.232%0.32225%0.25SC..Hα-helixtrans-66.2-34.3174.6-67-46.5-171.9-168.10113.3Y52 M98 E102 A103 L108 E109 V110Y52-K106 HydrophobicContact CD1-CB 3.92Å; Y52-K106 HydrophobicContact CD2-CB 4.15Å; Y52-K106 HydrophobicContact CE1-CB 3.59Å; Y52-K106 HydrophobicContact CE1-CG 4.23Å; Y52-K106 HydrophobicContact CE2-CB 3.83Å; Y52-K106 HydrophobicContact CG-CB 4.21Å; M98-K106 HydrophobicContact CE-CG 4.22Å; M98-K106 HydrophobicContact SD-CG 4.45Å; E102-K106 WeakPolarHBondContact O-CG 3.31Å; E102-K106 PolarHBondContact O-N 3.28Å; A103-K106 PolarHBondContact O-N 2.83Å; K106-L108 VanDerWaalsContact C-N 3.35Å; K106-E109 WeakPolarHBondContact CD-OE2 2.95Å; K106-E109 IonicContact NZ-OE1 3.77Å; K106-E109 PolarHBondContact NZ-OE1 2.94Å; K106-E109 IonicContact NZ-OE2 3.65Å; K106-E109 PolarHBondContact NZ-OE2 3.16Å; K106-E109 PolarHBondContact O-N 3Å; K106-V110 PolarHBondContact O-N 2.86Å; K106-V110 VanDerWaalsContact O-N 3.13Å
107F97.9Very high95.9Very high1 Ų138.6 Ų38.60%0.00423%0.226CC..Hα-helixtrans-59.3-46.4169.8-179.5-78.2000111V27 L30 I34 L49 Y52 L53 A103 D104 V110 A111V27-F107 HydrophobicContact CB-CD1 4.27Å; V27-F107 HydrophobicContact CG1-CD1 4.03Å; V27-F107 HydrophobicContact CG1-CD2 4.45Å; V27-F107 HydrophobicContact CG1-CE1 4.24Å; V27-F107 HydrophobicContact CG1-CG 4.15Å; V27-F107 HydrophobicContact CG2-CB 4.33Å; V27-F107 HydrophobicContact CG2-CD1 3.76Å; V27-F107 HydrophobicContact CG2-CE1 4.43Å; V27-F107 HydrophobicContact CG2-CG 4.22Å; L30-F107 HydrophobicContact CB-CE1 3.69Å; L30-F107 HydrophobicContact CB-CZ 4.08Å; L30-F107 HydrophobicContact CD1-CE1 3.96Å; L30-F107 HydrophobicContact CG-CE1 4.49Å; I34-F107 HydrophobicContact CD1-CE2 4.25Å; I34-F107 HydrophobicContact CD1-CZ 3.9Å; L49-F107 HydrophobicContact CB-CD2 4.13Å; L49-F107 HydrophobicContact CB-CE2 3.84Å; L49-F107 HydrophobicContact CD2-CD1 4.17Å; L49-F107 HydrophobicContact CD2-CD2 3.5Å; L49-F107 HydrophobicContact CD2-CE1 4.21Å; L49-F107 HydrophobicContact CD2-CE2 3.56Å; L49-F107 HydrophobicContact CD2-CG 3.83Å; L49-F107 HydrophobicContact CD2-CZ 3.93Å; L49-F107 WeakPolarHBondContact CD2-O 3.46Å; L49-F107 HydrophobicContact CG-CD2 4.43Å; L49-F107 HydrophobicContact CG-CE2 4.24Å; Y52-F107 HydrophobicContact CD2-CB 4.46Å; L53-F107 HydrophobicContact CD1-CD2 4.5Å; L53-F107 HydrophobicContact CD1-CE2 3.77Å; L53-F107 HydrophobicContact CD2-CD2 3.87Å; L53-F107 HydrophobicContact CD2-CE2 3.67Å; L53-F107 HydrophobicContact CD2-CZ 4.37Å; L53-F107 HydrophobicContact CG-CD2 3.77Å; L53-F107 HydrophobicContact CG-CE2 3.51Å; A103-F107 VanDerWaalsContact O-CB 3.3Å; A103-F107 WeakPolarHBondContact O-CB 3.32Å; A103-F107 PolarHBondContact O-N 2.94Å; D104-F107 PolarHBondContact O-N 3.17Å; F107-V110 PolarHBondContact O-N 3.03Å; F107-A111 HydrophobicContact CD1-CB 4.29Å; F107-A111 HydrophobicContact CE1-CB 4.05Å; F107-A111 VanDerWaalsContact O-CB 3.25Å; F107-A111 WeakPolarHBondContact O-CB 3.31Å; F107-A111 PolarHBondContact O-N 3.26Å
108L97.8Very high95.8Very high0 Ų036.1 Ų36.10%020%0.201CC..Hα-helixtrans-69.3-38179.9-65.9172.7000112.8I14 R23 F26 V27 L30 D104 T105 K106 V110 A111 V112I14-L108 HydrophobicContact CD1-CB 4.34Å; I14-L108 HydrophobicContact CG1-CB 4.35Å; I14-L108 HydrophobicContact CG2-CB 3.75Å; I14-L108 HydrophobicContact CG2-CD1 4.05Å; R23-L108 HydrophobicContact CB-CD1 3.81Å; R23-L108 HydrophobicContact CG-CD1 3.86Å; F26-L108 HydrophobicContact CB-CD1 4.4Å; F26-L108 HydrophobicContact CB-CD2 3.84Å; V27-L108 HydrophobicContact CG2-CD1 4.45Å; V27-L108 HydrophobicContact CG2-CD2 4.13Å; V27-L108 HydrophobicContact CG2-CG 4.02Å; L30-L108 HydrophobicContact CD1-CD2 3.49Å; L30-L108 VanDerWaalsContact CD1-CD2 3.49Å; D104-L108 VanDerWaalsContact O-CG 3.3Å; D104-L108 WeakPolarHBondContact O-CG 3.35Å; D104-L108 PolarHBondContact O-N 2.89Å; T105-L108 PolarHBondContact O-N 3.3Å; K106-L108 VanDerWaalsContact C-N 3.35Å; L108-V110 VanDerWaalsContact C-N 3.29Å; L108-V110 PolarHBondContact O-N 2.97Å; L108-A111 PolarHBondContact O-N 2.8Å; L108-V112 WeakPolarHBondContact O-CG1 3.3Å; L108-V112 PolarHBondContact O-N 3.45Å
109E97.4Very high95.5Very high90 Ų9035 Ų3542%0.42119%0.194SC..Hα-helixtrans-57.7-38.3172.6-74.6175.5-156.100112.5T105 K106 V112T105-E109 WeakPolarHBondContact O-CG 3.29Å; T105-E109 PolarHBondContact O-N 2.76Å; K106-E109 WeakPolarHBondContact CD-OE2 2.95Å; K106-E109 IonicContact NZ-OE1 3.77Å; K106-E109 PolarHBondContact NZ-OE1 2.94Å; K106-E109 IonicContact NZ-OE2 3.65Å; K106-E109 PolarHBondContact NZ-OE2 3.16Å; K106-E109 PolarHBondContact O-N 3Å; E109-V112 WeakPolarHBondContact O-CG1 3.39Å
110V97.5Very high95.3Very high22 Ų2236.6 Ų36.613%0.13320%0.195CC..Hα-helixtrans-78.6-42.5173.8175.90000111.3E45 L49 Y52 K106 F107 L108 V112 T113E45-V110 HydrophobicContact CB-CG1 4.11Å; E45-V110 HydrophobicContact CG-CG1 4.37Å; L49-V110 HydrophobicContact CD1-CG1 4.25Å; L49-V110 HydrophobicContact CD2-CB 3.89Å; L49-V110 HydrophobicContact CD2-CG1 3.86Å; L49-V110 HydrophobicContact CG-CB 4.39Å; L49-V110 HydrophobicContact CG-CG1 3.83Å; Y52-V110 HydrophobicContact CE2-CG2 3.98Å; K106-V110 PolarHBondContact O-N 2.86Å; K106-V110 VanDerWaalsContact O-N 3.13Å; F107-V110 PolarHBondContact O-N 3.03Å; L108-V110 VanDerWaalsContact C-N 3.29Å; L108-V110 PolarHBondContact O-N 2.97Å; V110-V112 VanDerWaalsContact C-N 3.29Å; V110-V112 PolarHBondContact O-N 2.99Å; V110-T113 PolarHBondContact O-N 3.18Å; V110-T113 PolarHBondContact O-OG1 3.42Å
111A97.5Very high95.2Very high0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-63.5-33.9-174.900000112.9L30 L49 F107 L108 T113 L114 Y117L30-A111 HydrophobicContact CD1-CB 4.01Å; L49-A111 HydrophobicContact CD2-CB 4.2Å; F107-A111 HydrophobicContact CD1-CB 4.29Å; F107-A111 HydrophobicContact CE1-CB 4.05Å; F107-A111 VanDerWaalsContact O-CB 3.25Å; F107-A111 WeakPolarHBondContact O-CB 3.31Å; F107-A111 PolarHBondContact O-N 3.26Å; L108-A111 PolarHBondContact O-N 2.8Å; A111-T113 VanDerWaalsContact C-N 3.28Å; A111-T113 PolarHBondContact O-N 3.19Å; A111-L114 WeakPolarHBondContact O-CB 3.39Å; A111-L114 PolarHBondContact O-N 3.48Å; A111-Y117 HydrophobicContact CB-CD2 4.32Å; A111-Y117 HydrophobicContact CB-CE2 4.5Å; A111-Y117 WeakPolarHBondContact O-CB 3.45Å; A111-Y117 VanDerWaalsContact O-CD2 3.24Å; A111-Y117 WeakPolarHBondContact O-CD2 3.42Å
112V96.6Very high95.1Very high37 Ų3735.7 Ų35.722%0.22419%0.186CC..THydrogen-bonded Turntrans-69.9-20.9-179.473.80000113.8E12 I14 L108 E109 V110 L114 Y117E12-V112 WeakPolarHBondContact O-CG2 3.45Å; I14-V112 HydrophobicContact CD1-CB 4.07Å; I14-V112 HydrophobicContact CD1-CG2 4.11Å; I14-V112 HydrophobicContact CG1-CB 4.03Å; I14-V112 HydrophobicContact CG1-CG1 4.07Å; I14-V112 HydrophobicContact CG1-CG2 4.21Å; L108-V112 WeakPolarHBondContact O-CG1 3.3Å; L108-V112 PolarHBondContact O-N 3.45Å; E109-V112 WeakPolarHBondContact O-CG1 3.39Å; V110-V112 VanDerWaalsContact C-N 3.29Å; V110-V112 PolarHBondContact O-N 2.99Å; V112-L114 VanDerWaalsContact C-N 3.3Å; V112-Y117 HydrophobicContact CB-CD2 4.45Å; V112-Y117 HydrophobicContact CB-CE1 4.43Å; V112-Y117 HydrophobicContact CB-CE2 4.34Å; V112-Y117 HydrophobicContact CG2-CD1 3.98Å; V112-Y117 HydrophobicContact CG2-CE1 3.81Å; V112-Y117 HydrophobicContact CG2-CG 4.45Å
113T95.6Very high94.9Very high105 Ų10533 Ų3364%0.64418%0.176SC*.THydrogen-bonded Turntrans-80.7-11.8175.869.90000113V110 A111V110-T113 PolarHBondContact O-N 3.18Å; V110-T113 PolarHBondContact O-OG1 3.42Å; A111-T113 VanDerWaalsContact C-N 3.28Å; A111-T113 PolarHBondContact O-N 3.19Å
114L94.5Very high94.6Very high12 Ų1233 Ų336%0.06318%0.176CC..SBendtrans-74.2134.3-179.8-60.4-179.1000111.3L39 C41 E45 L49 A111 V112 T116 Y117L39-L114 HydrophobicContact CD1-CB 4.08Å; L39-L114 HydrophobicContact CD1-CD1 3.89Å; L39-L114 HydrophobicContact CD2-CD1 3.87Å; L39-L114 HydrophobicContact CG-CD1 3.72Å; C41-L114 HydrophobicContact CB-CD1 4.49Å; E45-L114 HydrophobicContact CB-CD2 3.98Å; E45-L114 HydrophobicContact CG-CD2 4.02Å; L49-L114 HydrophobicContact CD1-CD1 3.87Å; A111-L114 WeakPolarHBondContact O-CB 3.39Å; A111-L114 PolarHBondContact O-N 3.48Å; V112-L114 VanDerWaalsContact C-N 3.3Å; L114-T116 PolarHBondContact O-N 3.07Å; L114-Y117 WeakPolarHBondContact O-CB 3.27Å; L114-Y117 PolarHBondContact O-N 3.21Å
115D90.4Very high93.8Very high79 Ų7936 Ų3642%0.42220%0.195SC..THydrogen-bonded Turntrans-57.1-26.7-174.4-132.7-11000113.8R134 Y139 K144D115-R134 IonicContact OD1-NH2 2.73Å; D115-Y139 PolarHBondContact O-OH 3.4Å; D115-K144 IonicContact OD1-NZ 3.45Å; D115-K144 PolarHBondContact OD1-NZ 3.47Å; D115-K144 IonicContact OD2-NZ 3.23Å; D115-K144 PolarHBondContact OD2-NZ 3.47Å
116T93.1Very high93.1Very high15 Ų1539 Ų399%0.09221%0.206CC..THydrogen-bonded Turntrans-102.813-179.648.20000113.6Y40 L114 G118 F119 Y139Y40-T116 PolarHBondContact N-OG1 2.82Å; L114-T116 PolarHBondContact O-N 3.07Å; T116-G118 PolarHBondContact O-N 2.81Å; T116-F119 VanDerWaalsContact O-CB 3.3Å; T116-F119 WeakPolarHBondContact O-CB 3.45Å; T116-F119 PolarHBondContact O-N 3.45Å; T116-Y139 HydrophobicContact CG2-CE1 4.09Å; T116-Y139 HydrophobicContact CG2-CE2 4.09Å
117Y95.3Very high92.8Very high16 Ų1636.1 Ų36.16%0.06319%0.194CC..THydrogen-bonded Turntrans-56.4125175.3176.6-99.9000111.7F10 P11 I14 L30 A111 V112 L114 F119F10-Y117 HydrophobicContact CB-CD1 4.37Å; F10-Y117 HydrophobicContact CB-CE1 3.68Å; F10-Y117 HydrophobicContact CD1-CE2 4.26Å; P11-Y117 WeakPolarHBondContact O-CE1 3.38Å; P11-Y117 PolarHBondContact O-OH 2.71Å; I14-Y117 WeakPolarHBondContact CD1-OH 3.14Å; L30-Y117 HydrophobicContact CD1-CE2 3.97Å; L30-Y117 HydrophobicContact CD2-CD2 3.98Å; L30-Y117 HydrophobicContact CD2-CE2 4.01Å; A111-Y117 HydrophobicContact CB-CD2 4.32Å; A111-Y117 HydrophobicContact CB-CE2 4.5Å; A111-Y117 WeakPolarHBondContact O-CB 3.45Å; A111-Y117 VanDerWaalsContact O-CD2 3.24Å; A111-Y117 WeakPolarHBondContact O-CD2 3.42Å; V112-Y117 HydrophobicContact CB-CD2 4.45Å; V112-Y117 HydrophobicContact CB-CE1 4.43Å; V112-Y117 HydrophobicContact CB-CE2 4.34Å; V112-Y117 HydrophobicContact CG2-CD1 3.98Å; V112-Y117 HydrophobicContact CG2-CE1 3.81Å; V112-Y117 HydrophobicContact CG2-CG 4.45Å; L114-Y117 WeakPolarHBondContact O-CB 3.27Å; L114-Y117 PolarHBondContact O-N 3.21Å; Y117-F119 PolarHBondContact O-N 3.26Å; Y117-F119 VanDerWaalsContact O-N 3.07Å
118G93.1Very high92.5Very high10 Ų1037.3 Ų37.310%0.10320%0.199CC..THydrogen-bonded Turntrans65.15.1-177.700000115.8F10 T116 Y120F10-G118 VanDerWaalsContact CD2-CA 3.43Å; F10-G118 VanDerWaalsContact CG-CA 3.4Å; T116-G118 PolarHBondContact O-N 2.81Å; G118-Y120 PolarHBondContact O-N 2.78Å
119F92.1Very high92.3Very high17 Ų1737.3 Ų37.38%0.07520%0.199CC..  trans-76.8111.9-178.8179.3-107.2000111.1T116 Y117 P121 F128 G130 V137 Y139T116-F119 VanDerWaalsContact O-CB 3.3Å; T116-F119 WeakPolarHBondContact O-CB 3.45Å; T116-F119 PolarHBondContact O-N 3.45Å; Y117-F119 PolarHBondContact O-N 3.26Å; Y117-F119 VanDerWaalsContact O-N 3.07Å; F119-P121 HydrophobicContact CD1-CB 4.41Å; F119-P121 HydrophobicContact CE1-CB 3.8Å; F119-P121 HydrophobicContact CZ-CB 4.47Å; F119-P121 WeakPolarHBondContact O-CD 3.26Å; F119-F128 HydrophobicContact CE1-CB 4.3Å; F119-F128 HydrophobicContact CZ-CB 4.36Å; F119-G130 VanDerWaalsContact CE2-CA 3.44Å; F119-V137 HydrophobicContact CD2-CB 4.26Å; F119-V137 HydrophobicContact CE2-CB 4.07Å; F119-V137 WeakPolarHBondContact CE2-O 3.29Å; F119-Y139 HydrophobicContact CD1-CD2 4.21Å; F119-Y139 HydrophobicContact CD1-CE2 4.05Å; F119-Y139 HydrophobicContact CD2-CE2 4.2Å; F119-Y139 AromaticContact CE1-CD2 3.62Å; F119-Y139 HydrophobicContact CE1-CD2 3.62Å; F119-Y139 AromaticContact CE1-CE2 3.91Å; F119-Y139 HydrophobicContact CE1-CE2 3.91Å; F119-Y139 HydrophobicContact CE2-CD2 4.15Å; F119-Y139 HydrophobicContact CE2-CE2 4.06Å; F119-Y139 HydrophobicContact CG-CE2 4.19Å; F119-Y139 AromaticContact CZ-CD2 3.6Å; F119-Y139 HydrophobicContact CZ-CD2 3.6Å; F119-Y139 AromaticContact CZ-CE2 3.93Å; F119-Y139 HydrophobicContact CZ-CE2 3.93Å
120Y90.6Very high92.2Very high77 Ų7733 Ų3330%0.30218%0.179SC..  trans-91.9114.1169.7-168.1-83.6000110.7G118 F122 G130 Y208G118-Y120 PolarHBondContact O-N 2.78Å; Y120-F122 AromaticContact CD1-CD2 3.78Å; Y120-F122 HydrophobicContact CD1-CD2 3.78Å; Y120-F122 AromaticContact CD1-CE2 3.44Å; Y120-F122 HydrophobicContact CD1-CE2 3.44Å; Y120-F122 VanDerWaalsContact CD1-CE2 3.44Å; Y120-F122 HydrophobicContact CD1-CZ 4.13Å; Y120-F122 HydrophobicContact CE1-CD2 4.19Å; Y120-F122 AromaticContact CE1-CE2 3.8Å; Y120-F122 HydrophobicContact CE1-CE2 3.8Å; Y120-F122 HydrophobicContact CE1-CZ 4.04Å; Y120-G130 WeakPolarHBondContact O-CA 3.27Å; Y120-Y208 WeakPolarHBondContact CB-OH 3.43Å; Y120-Y208 HydrophobicContact CG-CE2 4.48Å
121P91Very high92Very high30 Ų3032 Ų3220%0.19517%0.173CC..  trans-80.3125.1-176.929.8-33.7000112.9R38 F119 F128R38-P121 HydrophobicContact CG-CG 4.38Å; F119-P121 HydrophobicContact CD1-CB 4.41Å; F119-P121 HydrophobicContact CE1-CB 3.8Å; F119-P121 HydrophobicContact CZ-CB 4.47Å; F119-P121 WeakPolarHBondContact O-CD 3.26Å; P121-F128 HydrophobicContact CB-CB 3.89Å; P121-F128 HydrophobicContact CB-CD1 3.76Å; P121-F128 HydrophobicContact CB-CG 4.01Å
122F92.9Very high91.8Very high15 Ų1532.6 Ų32.67%0.06618%0.178CC..EExtended strand (participates in β ladder)trans-104.8132161.2-71.8-104000110.2Y120 V124 F128 L129 Y201 Q204 L205 Y208Y120-F122 AromaticContact CD1-CD2 3.78Å; Y120-F122 HydrophobicContact CD1-CD2 3.78Å; Y120-F122 AromaticContact CD1-CE2 3.44Å; Y120-F122 HydrophobicContact CD1-CE2 3.44Å; Y120-F122 VanDerWaalsContact CD1-CE2 3.44Å; Y120-F122 HydrophobicContact CD1-CZ 4.13Å; Y120-F122 HydrophobicContact CE1-CD2 4.19Å; Y120-F122 AromaticContact CE1-CE2 3.8Å; Y120-F122 HydrophobicContact CE1-CE2 3.8Å; Y120-F122 HydrophobicContact CE1-CZ 4.04Å; F122-V124 PolarHBondContact O-N 2.81Å; F122-F128 CarbonylContact O-C 3.58Å; F122-F128 WeakPolarHBondContact O-CA 3.41Å; F122-L129 WeakPolarHBondContact CA-O 3.45Å; F122-L129 WeakPolarHBondContact CB-O 3.45Å; F122-L129 PolarHBondContact N-O 3.08Å; F122-L129 PolarHBondContact O-N 3.01Å; F122-Y201 WeakPolarHBondContact CA-OH 3.27Å; F122-Y201 HydrophobicContact CB-CE1 4.15Å; F122-Y201 AromaticContact CD1-CE1 3.88Å; F122-Y201 HydrophobicContact CD1-CE1 3.88Å; F122-Y201 HydrophobicContact CD1-CE2 4.2Å; F122-Y201 AromaticContact CD1-CZ 3.69Å; F122-Q204 HydrophobicContact CE1-CB 4.41Å; F122-L205 HydrophobicContact CB-CD1 3.88Å; F122-L205 HydrophobicContact CD1-CB 3.84Å; F122-L205 HydrophobicContact CD1-CD1 4.22Å; F122-L205 HydrophobicContact CD2-CD1 3.74Å; F122-L205 HydrophobicContact CE1-CB 4.08Å; F122-L205 HydrophobicContact CE2-CD1 4.31Å; F122-L205 HydrophobicContact CG-CB 4.2Å; F122-L205 HydrophobicContact CG-CD1 3.7Å; F122-L205 HydrophobicContact CG-CG 4.45Å; F122-Y208 HydrophobicContact CD2-CD1 4.24Å; F122-Y208 AromaticContact CE2-CD1 3.49Å; F122-Y208 HydrophobicContact CE2-CD1 3.49Å; F122-Y208 VanDerWaalsContact CE2-CD1 3.49Å; F122-Y208 HydrophobicContact CE2-CD2 4.17Å; F122-Y208 HydrophobicContact CE2-CE1 4.09Å; F122-Y208 AromaticContact CE2-CG 3.56Å; F122-Y208 HydrophobicContact CE2-CG 3.56Å; F122-Y208 HydrophobicContact CZ-CD1 4.28Å; F122-Y208 HydrophobicContact CZ-CD2 4.49Å; F122-Y208 AromaticContact CZ-CG 3.94Å; F122-Y208 HydrophobicContact CZ-CG 3.94Å
123T92.3Very high91.6Very high45 Ų4531.5 Ų31.528%0.27617%0.172SC..EExtended strand (participates in β ladder)trans-76.4118177.9-54.10000110.8Y201 P369T123-Y201 PolarHBondContact N-OH 3.25Å; T123-Y201 WeakPolarHBondContact O-CE1 3.46Å; T123-P369 HydrophobicContact CG2-CB 3.61Å; T123-P369 HydrophobicContact CG2-CG 3.86Å
124V89.3Confident91.5Very high1 Ų129.7 Ų29.71%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-141134.1176.8-59.70000109.8F122 Q126 L127 L129 F194 L205F122-V124 PolarHBondContact O-N 2.81Å; V124-Q126 PolarHBondContact O-N 3.22Å; V124-L127 HydrophobicContact CG2-CB 4.41Å; V124-L127 PolarHBondContact N-O 2.66Å; V124-L127 CarbonylContact O-C 3.49Å; V124-L127 WeakPolarHBondContact O-CA 3.4Å; V124-L127 WeakPolarHBondContact O-CB 3.33Å; V124-L127 PolarHBondContact O-N 3.26Å; V124-L129 HydrophobicContact CG2-CB 3.5Å; V124-L129 HydrophobicContact CG2-CD2 4.05Å; V124-L129 HydrophobicContact CG2-CG 4.43Å; V124-F194 HydrophobicContact CB-CB 3.96Å; V124-F194 HydrophobicContact CG1-CB 4.47Å; V124-F194 HydrophobicContact CG2-CB 3.77Å; V124-F194 HydrophobicContact CG2-CD1 3.88Å; V124-F194 HydrophobicContact CG2-CG 4.1Å; V124-L205 HydrophobicContact CG1-CD2 3.8Å
125T81.3Confident91.6Very high70 Ų7029.1 Ų29.143%0.42915%0.151SC..THydrogen-bonded Turntrans29.861.5175.446.20000115.5L127 T195T125-L127 PolarHBondContact O-N 3.34Å; T125-T195 PolarHBondContact N-O 3.06Å
126Q81.2Confident91.8Very high104 Ų10425.4 Ų25.449%0.48613%0.131SC..THydrogen-bonded Turntrans61.821.2178.9-54.5178.6-13.500116.4V124V124-Q126 PolarHBondContact O-N 3.22Å
127L91.1Very high91.8Very high12 Ų1224.8 Ų24.86%0.06313%0.127CC..EExtended strand (participates in β ladder)trans-130.9159.7179.5-62.9163.7000110.3V124 T125 Y139 K140 L179 F194V124-L127 HydrophobicContact CG2-CB 4.41Å; V124-L127 PolarHBondContact N-O 2.66Å; V124-L127 CarbonylContact O-C 3.49Å; V124-L127 WeakPolarHBondContact O-CA 3.4Å; V124-L127 WeakPolarHBondContact O-CB 3.33Å; V124-L127 PolarHBondContact O-N 3.26Å; T125-L127 PolarHBondContact O-N 3.34Å; L127-Y139 WeakPolarHBondContact CA-O 3.38Å; L127-K140 HydrophobicContact CD2-CB 3.5Å; L127-K140 VanDerWaalsContact CD2-CB 3.5Å; L127-K140 HydrophobicContact CD2-CD 4.1Å; L127-K140 HydrophobicContact CD2-CG 3.8Å; L127-L179 HydrophobicContact CD1-CD2 3.86Å; L127-L179 HydrophobicContact CD2-CD2 4.06Å; L127-F194 HydrophobicContact CD1-CD1 4.27Å; L127-F194 HydrophobicContact CD1-CE1 4.06Å
128F92.2Very high91.7Very high26 Ų2624 Ų2411%0.11412%0.124CC..EExtended strand (participates in β ladder)trans-100.3121160-63.1-68.5000108.9F119 P121 F122 A138 Y139 L367 P369F119-F128 HydrophobicContact CE1-CB 4.3Å; F119-F128 HydrophobicContact CZ-CB 4.36Å; P121-F128 HydrophobicContact CB-CB 3.89Å; P121-F128 HydrophobicContact CB-CD1 3.76Å; P121-F128 HydrophobicContact CB-CG 4.01Å; F122-F128 CarbonylContact O-C 3.58Å; F122-F128 WeakPolarHBondContact O-CA 3.41Å; F128-A138 CarbonylContact O-C 3.57Å; F128-A138 WeakPolarHBondContact O-CA 3.5Å; F128-Y139 PolarHBondContact N-O 2.95Å; F128-Y139 PolarHBondContact O-N 2.95Å; F128-L367 HydrophobicContact CE2-CB 3.89Å; F128-L367 HydrophobicContact CZ-CB 4.07Å; F128-L367 HydrophobicContact CZ-CD2 4.42Å; F128-P369 HydrophobicContact CZ-CG 4.36Å
129L94.1Very high91.6Very high0 Ų024.1 Ų24.10%012%0.121CC..EExtended strand (participates in β ladder)trans-112.9141.1176.518067.7000109.2F122 V124 V136 A138 F163 F194 L205F122-L129 WeakPolarHBondContact CA-O 3.45Å; F122-L129 WeakPolarHBondContact CB-O 3.45Å; F122-L129 PolarHBondContact N-O 3.08Å; F122-L129 PolarHBondContact O-N 3.01Å; V124-L129 HydrophobicContact CG2-CB 3.5Å; V124-L129 HydrophobicContact CG2-CD2 4.05Å; V124-L129 HydrophobicContact CG2-CG 4.43Å; L129-V136 HydrophobicContact CD1-CG1 3.64Å; L129-A138 HydrophobicContact CD1-CB 3.9Å; L129-F163 HydrophobicContact CD2-CD1 3.64Å; L129-F163 HydrophobicContact CD2-CE1 3.89Å; L129-F194 HydrophobicContact CD1-CE2 4.41Å; L129-F194 HydrophobicContact CD1-CZ 4.37Å; L129-F194 HydrophobicContact CD2-CB 4.19Å; L129-F194 HydrophobicContact CD2-CD1 4.32Å; L129-F194 HydrophobicContact CD2-CD2 3.69Å; L129-F194 HydrophobicContact CD2-CE2 4.1Å; L129-F194 HydrophobicContact CD2-CG 3.81Å; L129-L205 HydrophobicContact CD2-CD2 4.18Å
130G93.9Very high91.4Very high0 Ų027.5 Ų27.50%014%0.136CC..EExtended strand (participates in β ladder)trans-166.1-166.3179.700000111.5F119 Y120 V136 V137F119-G130 VanDerWaalsContact CE2-CA 3.44Å; Y120-G130 WeakPolarHBondContact O-CA 3.27Å; G130-V136 WeakPolarHBondContact O-CA 3.42Å; G130-V136 WeakPolarHBondContact O-CG1 3.39Å; G130-V137 PolarHBondContact N-O 3.5Å; G130-V137 PolarHBondContact O-N 3.41Å
131A94.6Very high90.9Very high0 Ų026.8 Ų26.80%015%0.147CC..EExtended strand (participates in β ladder)trans-141.1143.917700000110.4G135 V136 W150 Y208 I209 Q212A131-G135 CarbonylContact C-O 3.43Å; A131-G135 VanDerWaalsContact CA-O 3.25Å; A131-G135 WeakPolarHBondContact CA-O 3.36Å; A131-V136 HydrophobicContact CB-CG2 4.48Å; A131-W150 HydrophobicContact CB-CH2 3.78Å; A131-W150 HydrophobicContact CB-CZ2 4.25Å; A131-Y208 HydrophobicContact CB-CE1 4.12Å; A131-Y208 PolarHBondContact O-OH 3.3Å; A131-Y208 VanDerWaalsContact O-OH 3.14Å; A131-I209 HydrophobicContact CB-CG1 4.17Å; A131-I209 HydrophobicContact CB-CG2 4.24Å; A131-Q212 HydrophobicContact CB-CB 3.93Å; A131-Q212 HydrophobicContact CB-CG 3.96Å
132A92.4Very high90.4Very high14 Ų1430.6 Ų30.612%0.11616%0.162CC..  trans-118.9-176.3173.300000109R134 G135A132-R134 PolarHBondContact O-N 2.7Å; A132-G135 PolarHBondContact N-O 3.02Å; A132-G135 PolarHBondContact O-N 3.02Å
133A93.6Very high90.1Very high13 Ų1334.4 Ų34.411%0.10719%0.186CC..SBendtrans-60.2-43.8-178.200000113.6E12 G135 W150 F216E12-A133 HydrophobicContact CG-CB 3.83Å; E12-A133 WeakPolarHBondContact OE1-CB 3.45Å; A133-G135 PolarHBondContact O-N 3.48Å; A133-W150 PolarHBondContact O-NE1 3.45Å; A133-F216 HydrophobicContact CB-CD1 4.07Å; A133-F216 HydrophobicContact CB-CD2 4.3Å; A133-F216 HydrophobicContact CB-CE1 3.8Å; A133-F216 HydrophobicContact CB-CE2 4.04Å; A133-F216 HydrophobicContact CB-CG 4.32Å; A133-F216 HydrophobicContact CB-CZ 3.78Å
134R93.4Very high89.9Confident68 Ų6835.4 Ų35.426%0.25719%0.187SC..SBendtrans-65.1-28.2174.865.4177.4-175.4-105.93.1116.4E12 D115 A132 D147 H149 W150E12-R134 WeakPolarHBondContact OE1-CB 3.17Å; E12-R134 PolarHBondContact OE1-N 3.1Å; D115-R134 IonicContact OD1-NH2 2.73Å; A132-R134 PolarHBondContact O-N 2.7Å; R134-D147 IonicContact CZ-OD1 3.5Å; R134-D147 IonicContact CZ-OD2 2.65Å; R134-D147 IonicContact NE-OD1 3.45Å; R134-D147 PolarHBondContact NE-OD1 3.21Å; R134-D147 IonicContact NE-OD2 2.72Å; R134-D147 PolarHBondContact NE-OD2 2.95Å; R134-D147 IonicContact NH2-OD1 2.81Å; R134-D147 PolarHBondContact NH2-OD1 3.07Å; R134-D147 IonicContact NH2-OD2 2.83Å; R134-D147 PolarHBondContact NH2-OD2 3.47Å; R134-H149 WeakPolarHBondContact O-CA 3.42Å; R134-W150 PolarHBondContact O-N 2.84Å; R134-W150 VanDerWaalsContact O-N 3.14Å
135G94.9Very high89.8Confident0 Ų036.6 Ų36.60%019%0.194CC..EExtended strand (participates in β ladder)trans161.4-159.7-165.200000117.4A131 A132 A133 L148 W150A131-G135 CarbonylContact C-O 3.43Å; A131-G135 VanDerWaalsContact CA-O 3.25Å; A131-G135 WeakPolarHBondContact CA-O 3.36Å; A132-G135 PolarHBondContact N-O 3.02Å; A132-G135 PolarHBondContact O-N 3.02Å; A133-G135 PolarHBondContact O-N 3.48Å; G135-L148 CarbonylContact C-O 3.57Å; G135-L148 WeakPolarHBondContact CA-O 3.11Å; G135-W150 VanDerWaalsContact CA-CE2 3.49Å
136V95.3Very high90.2Very high0 Ų033.9 Ų33.90%018%0.177CC..EExtended strand (participates in β ladder)trans-97.3129.3179.6175.20000109.9L129 G130 A131 L148 W150 I153 I165 I209L129-V136 HydrophobicContact CD1-CG1 3.64Å; G130-V136 WeakPolarHBondContact O-CA 3.42Å; G130-V136 WeakPolarHBondContact O-CG1 3.39Å; A131-V136 HydrophobicContact CB-CG2 4.48Å; V136-L148 PolarHBondContact N-O 3.45Å; V136-L148 PolarHBondContact O-N 3.24Å; V136-W150 HydrophobicContact CG2-CH2 4.12Å; V136-W150 HydrophobicContact CG2-CZ3 3.72Å; V136-I153 HydrophobicContact CB-CD1 3.85Å; V136-I153 HydrophobicContact CG2-CD1 3.51Å; V136-I165 HydrophobicContact CG1-CD1 3.82Å; V136-I209 HydrophobicContact CG1-CD1 4.45Å; V136-I209 HydrophobicContact CG2-CD1 4.4Å; V136-I209 HydrophobicContact CG2-CG2 3.55Å
137V93.5Very high90.7Very high2 Ų231.5 Ų31.51%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-125.5144.3-176.7-169.60000109.5F119 G130 Y139 K144 L146F119-V137 HydrophobicContact CD2-CB 4.26Å; F119-V137 HydrophobicContact CE2-CB 4.07Å; F119-V137 WeakPolarHBondContact CE2-O 3.29Å; G130-V137 PolarHBondContact N-O 3.5Å; G130-V137 PolarHBondContact O-N 3.41Å; V137-Y139 HydrophobicContact CB-CE2 4.29Å; V137-Y139 HydrophobicContact CG1-CD2 4.12Å; V137-Y139 HydrophobicContact CG1-CE2 3.38Å; V137-K144 HydrophobicContact CG1-CD 3.87Å; V137-K144 HydrophobicContact CG1-CG 3.93Å; V137-L146 CarbonylContact C-O 3.59Å; V137-L146 VanDerWaalsContact CA-O 3.32Å; V137-L146 WeakPolarHBondContact CA-O 3.37Å; V137-L146 WeakPolarHBondContact CG1-O 3.31Å
138A92.6Very high90.7Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-130.1147169.500000112.3F128 L129 T145 L146F128-A138 CarbonylContact O-C 3.57Å; F128-A138 WeakPolarHBondContact O-CA 3.5Å; L129-A138 HydrophobicContact CD1-CB 3.9Å; A138-T145 PolarHBondContact O-N 2.94Å; A138-T145 PolarHBondContact O-OG1 2.92Å; A138-L146 HydrophobicContact CB-CB 3.69Å; A138-L146 HydrophobicContact CB-CD2 4.47Å; A138-L146 PolarHBondContact N-O 2.94Å; A138-L146 PolarHBondContact O-N 2.95Å
139Y90.5Very high90.9Very high12 Ų1234.3 Ų34.35%0.04718%0.18CC..EExtended strand (participates in β ladder)trans-125.7137.3177.8-66-95000111.2D115 T116 F119 L127 F128 V137 T143 K144D115-Y139 PolarHBondContact O-OH 3.4Å; T116-Y139 HydrophobicContact CG2-CE1 4.09Å; T116-Y139 HydrophobicContact CG2-CE2 4.09Å; F119-Y139 HydrophobicContact CD1-CD2 4.21Å; F119-Y139 HydrophobicContact CD1-CE2 4.05Å; F119-Y139 HydrophobicContact CD2-CE2 4.2Å; F119-Y139 AromaticContact CE1-CD2 3.62Å; F119-Y139 HydrophobicContact CE1-CD2 3.62Å; F119-Y139 AromaticContact CE1-CE2 3.91Å; F119-Y139 HydrophobicContact CE1-CE2 3.91Å; F119-Y139 HydrophobicContact CE2-CD2 4.15Å; F119-Y139 HydrophobicContact CE2-CE2 4.06Å; F119-Y139 HydrophobicContact CG-CE2 4.19Å; F119-Y139 AromaticContact CZ-CD2 3.6Å; F119-Y139 HydrophobicContact CZ-CD2 3.6Å; F119-Y139 AromaticContact CZ-CE2 3.93Å; F119-Y139 HydrophobicContact CZ-CE2 3.93Å; L127-Y139 WeakPolarHBondContact CA-O 3.38Å; F128-Y139 PolarHBondContact N-O 2.95Å; F128-Y139 PolarHBondContact O-N 2.95Å; V137-Y139 HydrophobicContact CB-CE2 4.29Å; V137-Y139 HydrophobicContact CG1-CD2 4.12Å; V137-Y139 HydrophobicContact CG1-CE2 3.38Å; Y139-T143 CarbonylContact C-O 3.56Å; Y139-T143 VanDerWaalsContact CA-O 3.29Å; Y139-T143 WeakPolarHBondContact CA-O 3.29Å; Y139-K144 HydrophobicContact CD1-CB 3.99Å; Y139-K144 HydrophobicContact CE1-CB 3.63Å; Y139-K144 HydrophobicContact CE1-CD 4.34Å; Y139-K144 HydrophobicContact CE1-CG 4.08Å
140K88.9Confident90.9Very high88 Ų8835.1 Ų35.138%0.38318%0.183SC..EExtended strand (participates in β ladder)trans-105.6110.3162.8-159.9167.8-174.7171.90107L127 Q142 T143 T145 E182L127-K140 HydrophobicContact CD2-CB 3.5Å; L127-K140 VanDerWaalsContact CD2-CB 3.5Å; L127-K140 HydrophobicContact CD2-CD 4.1Å; L127-K140 HydrophobicContact CD2-CG 3.8Å; K140-Q142 PolarHBondContact O-N 2.86Å; K140-Q142 VanDerWaalsContact O-N 3.12Å; K140-T143 PolarHBondContact N-O 2.87Å; K140-T143 PolarHBondContact O-N 3.4Å; K140-T145 HydrophobicContact CB-CG2 3.67Å; K140-E182 IonicContact NZ-OE2 2.71Å
141A81.1Confident90.9Very high63 Ų6342 Ų4252%0.52122%0.221SC..THydrogen-bonded Turntrans51.6-112.3-164.800000111.5
142Q79.6Confident90.7Very high110 Ų11043.9 Ų43.951%0.51423%0.23SC..THydrogen-bonded Turntrans-99.4-7.5178.6-68.2175.4-1900113.5K140 L364K140-Q142 PolarHBondContact O-N 2.86Å; K140-Q142 VanDerWaalsContact O-N 3.12Å; Q142-L364 VanDerWaalsContact NE2-CD1 3.32Å
143T85.7Confident90.8Very high95 Ų9543.4 Ų43.458%0.58323%0.226SC*.EExtended strand (participates in β ladder)trans-86.9122.5-178.9-53.20000109.9Y139 K140 T145Y139-T143 CarbonylContact C-O 3.56Å; Y139-T143 VanDerWaalsContact CA-O 3.29Å; Y139-T143 WeakPolarHBondContact CA-O 3.29Å; K140-T143 PolarHBondContact N-O 2.87Å; K140-T143 PolarHBondContact O-N 3.4Å; T143-T145 HydrophobicContact CG2-CG2 4.46Å; T143-T145 PolarHBondContact O-N 2.81Å
144K88.7Confident90.7Very high66 Ų6648.6 Ų48.629%0.28725%0.246SC..EExtended strand (participates in β ladder)trans-65.8116.6168.5-171.9163.857.2171.10108.9D115 V137 Y139 D147D115-K144 IonicContact OD1-NZ 3.45Å; D115-K144 PolarHBondContact OD1-NZ 3.47Å; D115-K144 IonicContact OD2-NZ 3.23Å; D115-K144 PolarHBondContact OD2-NZ 3.47Å; V137-K144 HydrophobicContact CG1-CD 3.87Å; V137-K144 HydrophobicContact CG1-CG 3.93Å; Y139-K144 HydrophobicContact CD1-CB 3.99Å; Y139-K144 HydrophobicContact CE1-CB 3.63Å; Y139-K144 HydrophobicContact CE1-CD 4.34Å; Y139-K144 HydrophobicContact CE1-CG 4.08Å; K144-D147 HydrophobicContact CD-CB 4.4Å; K144-D147 WeakPolarHBondContact CD-OD2 3.38Å; K144-D147 WeakPolarHBondContact CE-OD2 3.37Å; K144-D147 IonicContact NZ-OD2 3.48Å; K144-D147 PolarHBondContact NZ-OD2 2.91Å
145T87.2Confident90.6Very high25 Ų2548.7 Ų48.715%0.15325%0.248CC..EExtended strand (participates in β ladder)trans-109.6-21.4-174.252.30000113.4A138 K140 T143 L179A138-T145 PolarHBondContact O-N 2.94Å; A138-T145 PolarHBondContact O-OG1 2.92Å; K140-T145 HydrophobicContact CB-CG2 3.67Å; T143-T145 HydrophobicContact CG2-CG2 4.46Å; T143-T145 PolarHBondContact O-N 2.81Å; T145-L179 VanDerWaalsContact O-CD1 3.28Å; T145-L179 WeakPolarHBondContact O-CD1 3.38Å
146L89.6Confident90.6Very high14 Ų1449 Ų497%0.07325%0.25CC..EExtended strand (participates in β ladder)trans-139136.4173.5-174.366.8000109.4V137 A138 L148 L179 F192 F194V137-L146 CarbonylContact C-O 3.59Å; V137-L146 VanDerWaalsContact CA-O 3.32Å; V137-L146 WeakPolarHBondContact CA-O 3.37Å; V137-L146 WeakPolarHBondContact CG1-O 3.31Å; A138-L146 HydrophobicContact CB-CB 3.69Å; A138-L146 HydrophobicContact CB-CD2 4.47Å; A138-L146 PolarHBondContact N-O 2.94Å; A138-L146 PolarHBondContact O-N 2.95Å; L146-L148 HydrophobicContact CD1-CD1 4.02Å; L146-L148 HydrophobicContact CD1-CD2 4.03Å; L146-L148 HydrophobicContact CD1-CG 3.71Å; L146-L148 HydrophobicContact CD2-CD1 3.87Å; L146-L148 HydrophobicContact CD2-CG 4.2Å; L146-L148 HydrophobicContact CG-CD1 4.12Å; L146-L148 HydrophobicContact CG-CG 3.88Å; L146-L179 HydrophobicContact CB-CD1 4.15Å; L146-F192 HydrophobicContact CD1-CD2 4.38Å; L146-F192 HydrophobicContact CD1-CE2 3.65Å; L146-F192 HydrophobicContact CD1-CZ 3.74Å; L146-F192 HydrophobicContact CD2-CD2 4.45Å; L146-F192 HydrophobicContact CD2-CE2 4.5Å; L146-F194 HydrophobicContact CD2-CZ 3.9Å
147D91.2Very high90.4Very high54 Ų5449 Ų4929%0.28925%0.25SC..EExtended strand (participates in β ladder)trans-142.1105.6172.5-147.6-19.7000105.9R134 K144R134-D147 IonicContact CZ-OD1 3.5Å; R134-D147 IonicContact CZ-OD2 2.65Å; R134-D147 IonicContact NE-OD1 3.45Å; R134-D147 PolarHBondContact NE-OD1 3.21Å; R134-D147 IonicContact NE-OD2 2.72Å; R134-D147 PolarHBondContact NE-OD2 2.95Å; R134-D147 IonicContact NH2-OD1 2.81Å; R134-D147 PolarHBondContact NH2-OD1 3.07Å; R134-D147 IonicContact NH2-OD2 2.83Å; R134-D147 PolarHBondContact NH2-OD2 3.47Å; K144-D147 HydrophobicContact CD-CB 4.4Å; K144-D147 WeakPolarHBondContact CD-OD2 3.38Å; K144-D147 WeakPolarHBondContact CE-OD2 3.37Å; K144-D147 IonicContact NZ-OD2 3.48Å; K144-D147 PolarHBondContact NZ-OD2 2.91Å
148L92.9Very high90.3Very high1 Ų150.1 Ų50.11%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-120.4119.2-178.2-67.8175.9000109G135 V136 L146 D152 I153 I165 L167 F171 F192G135-L148 CarbonylContact C-O 3.57Å; G135-L148 WeakPolarHBondContact CA-O 3.11Å; V136-L148 PolarHBondContact N-O 3.45Å; V136-L148 PolarHBondContact O-N 3.24Å; L146-L148 HydrophobicContact CD1-CD1 4.02Å; L146-L148 HydrophobicContact CD1-CD2 4.03Å; L146-L148 HydrophobicContact CD1-CG 3.71Å; L146-L148 HydrophobicContact CD2-CD1 3.87Å; L146-L148 HydrophobicContact CD2-CG 4.2Å; L146-L148 HydrophobicContact CG-CD1 4.12Å; L146-L148 HydrophobicContact CG-CG 3.88Å; L148-D152 HydrophobicContact CD2-CB 4.37Å; L148-I153 HydrophobicContact CB-CD1 4Å; L148-I153 HydrophobicContact CB-CG1 4.1Å; L148-I153 HydrophobicContact CD1-CG1 4.33Å; L148-I165 HydrophobicContact CD1-CD1 4.41Å; L148-I165 HydrophobicContact CD1-CG2 4.03Å; L148-L167 HydrophobicContact CD1-CD2 3.66Å; L148-L167 HydrophobicContact CD2-CD2 3.8Å; L148-L167 HydrophobicContact CG-CD2 4.39Å; L148-F171 HydrophobicContact CD2-CE1 3.8Å; L148-F171 HydrophobicContact CD2-CE2 4.1Å; L148-F171 HydrophobicContact CD2-CZ 3.48Å; L148-F171 VanDerWaalsContact CD2-CZ 3.48Å; L148-F192 HydrophobicContact CD1-CD2 4.07Å; L148-F192 HydrophobicContact CD1-CE2 4.06Å; L148-F192 HydrophobicContact CD2-CE2 4.39Å
149H94.5Very high90.1Very high95 Ų9553.2 Ų53.244%0.4427%0.27SS..EExtended strand (participates in β ladder)trans-71.7158.5174-67.6-178.7000110.4R134 N151 D152R134-H149 WeakPolarHBondContact O-CA 3.42Å; H149-N151 PolarHBondContact O-N 3.18Å; H149-N151 VanDerWaalsContact O-N 3.08Å; H149-D152 WeakPolarHBondContact CB-OD2 3.15Å; H149-D152 PolarHBondContact N-OD2 3.02Å; H149-D152 WeakPolarHBondContact O-CB 3.25Å; H149-D152 PolarHBondContact O-N 3.04Å
150W95Very high89.9Confident17 Ų1753.4 Ų53.46%0.06428%0.276CS..G310 helixtrans-58.2-27.3-178.6-64.8122.3000114.8A131 A133 R134 G135 V136 D152 I153 I209 Q212 K213 T217A131-W150 HydrophobicContact CB-CH2 3.78Å; A131-W150 HydrophobicContact CB-CZ2 4.25Å; A133-W150 PolarHBondContact O-NE1 3.45Å; R134-W150 PolarHBondContact O-N 2.84Å; R134-W150 VanDerWaalsContact O-N 3.14Å; G135-W150 VanDerWaalsContact CA-CE2 3.49Å; V136-W150 HydrophobicContact CG2-CH2 4.12Å; V136-W150 HydrophobicContact CG2-CZ3 3.72Å; W150-D152 VanDerWaalsContact C-N 3.33Å; W150-I153 HydrophobicContact CE3-CD1 4.08Å; W150-I153 HydrophobicContact CZ3-CD1 4.3Å; W150-I153 PolarHBondContact O-N 2.93Å; W150-I209 HydrophobicContact CH2-CG2 3.99Å; W150-I209 HydrophobicContact CZ3-CG2 3.94Å; W150-Q212 HydrophobicContact CH2-CB 4.04Å; W150-Q212 HydrophobicContact CZ2-CB 4Å; W150-K213 HydrophobicContact CD2-CB 4.16Å; W150-K213 HydrophobicContact CD2-CD 4.45Å; W150-K213 HydrophobicContact CD2-CG 3.99Å; W150-K213 HydrophobicContact CE3-CB 3.7Å; W150-K213 HydrophobicContact CE3-CD 3.74Å; W150-K213 HydrophobicContact CE3-CG 3.64Å; W150-K213 HydrophobicContact CH2-CB 3.87Å; W150-K213 HydrophobicContact CZ2-CB 4.31Å; W150-K213 HydrophobicContact CZ3-CB 3.55Å; W150-K213 HydrophobicContact CZ3-CD 4.2Å; W150-K213 HydrophobicContact CZ3-CG 4.03Å; W150-K213 PolarHBondContact O-NZ 3.13Å; W150-K213 VanDerWaalsContact O-NZ 3.16Å; W150-T217 HydrophobicContact CB-CG2 3.5Å; W150-T217 VanDerWaalsContact CB-CG2 3.5Å; W150-T217 VanDerWaalsContact CD1-CG2 3.43Å; W150-T217 HydrophobicContact CD2-CG2 4.13Å; W150-T217 HydrophobicContact CG-CG2 3.38Å
151N93.2Very high90Very high146 Ų14654.6 Ų54.678%0.78128%0.281SS*.G310 helixtrans-69.8-28.3176.3-65.6-15.3000112.5H149 I153H149-N151 PolarHBondContact O-N 3.18Å; H149-N151 VanDerWaalsContact O-N 3.08Å; N151-I153 PolarHBondContact O-N 3.45Å
152D92Very high90.5Very high38 Ų3853.4 Ų53.420%0.20327%0.266CS..G310 helixtrans-78.5-9.2178.7-51.6-39.2000112L148 H149 W150 L167 A168 F171L148-D152 HydrophobicContact CD2-CB 4.37Å; H149-D152 WeakPolarHBondContact CB-OD2 3.15Å; H149-D152 PolarHBondContact N-OD2 3.02Å; H149-D152 WeakPolarHBondContact O-CB 3.25Å; H149-D152 PolarHBondContact O-N 3.04Å; W150-D152 VanDerWaalsContact C-N 3.33Å; D152-L167 CarbonylContact O-C 3.53Å; D152-L167 WeakPolarHBondContact O-CA 3.42Å; D152-A168 PolarHBondContact O-N 3.23Å; D152-F171 HydrophobicContact CB-CD2 3.57Å; D152-F171 HydrophobicContact CB-CE2 3.85Å; D152-F171 HydrophobicContact CB-CG 4.16Å; D152-F171 WeakPolarHBondContact OD1-CD2 3.46Å
153I93.1Very high91.2Very high4 Ų448.2 Ų48.22%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-109.397.2-171.6-58.7172.8000110.6V136 L148 W150 N151 L156 I165 K213V136-I153 HydrophobicContact CB-CD1 3.85Å; V136-I153 HydrophobicContact CG2-CD1 3.51Å; L148-I153 HydrophobicContact CB-CD1 4Å; L148-I153 HydrophobicContact CB-CG1 4.1Å; L148-I153 HydrophobicContact CD1-CG1 4.33Å; W150-I153 HydrophobicContact CE3-CD1 4.08Å; W150-I153 HydrophobicContact CZ3-CD1 4.3Å; W150-I153 PolarHBondContact O-N 2.93Å; N151-I153 PolarHBondContact O-N 3.45Å; I153-L156 HydrophobicContact CG2-CD1 4.35Å; I153-L156 HydrophobicContact CG2-CD2 3.63Å; I153-L156 HydrophobicContact CG2-CG 3.73Å; I153-I165 HydrophobicContact CG1-CG2 4.15Å; I153-I165 HydrophobicContact CG2-CG2 4.01Å; I153-K213 PolarHBondContact O-NZ 3.4Å
154K91.8Very high91.5Very high123 Ų12344.4 Ų44.454%0.53522%0.218SC..EExtended strand (participates in β ladder)trans-66.9-44.1177.1-177.6167177.2166.50113.1Y166 L167 D169K154-Y166 WeakPolarHBondContact CB-O 3.44Å; K154-Y166 PolarHBondContact N-O 3.5Å; K154-L167 VanDerWaalsContact CB-O 3.32Å; K154-L167 WeakPolarHBondContact CB-O 3.4Å; K154-D169 IonicContact NZ-OD1 2.63Å; K154-D169 PolarHBondContact NZ-OD1 3.41Å; K154-D169 IonicContact NZ-OD2 2.7Å; K154-D169 PolarHBondContact NZ-OD2 2.99Å
155K92Very high91.7Very high70 Ų7041.3 Ų41.330%0.30420%0.204SC..EExtended strand (participates in β ladder)trans-152.9145.5177.1-174.2179.3-175.4-163.80112.1D157 Y166K155-D157 WeakPolarHBondContact CE-OD2 3.34Å; K155-D157 IonicContact NZ-OD2 2.68Å; K155-D157 PolarHBondContact NZ-OD2 3.43Å; K155-Y166 HydrophobicContact CB-CD2 3.97Å; K155-Y166 HydrophobicContact CB-CG 4.2Å; K155-Y166 HydrophobicContact CG-CD2 4.32Å; K155-Y166 PolarHBondContact N-O 3.03Å; K155-Y166 VanDerWaalsContact N-O 3.17Å; K155-Y166 WeakPolarHBondContact O-CB 3.48Å; K155-Y166 PolarHBondContact O-N 2.76Å
156L93.9Very high91.9Very high6 Ų642.7 Ų42.73%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-110.9129.2166.4-61.9169.7000109.6I153 F163 I165 W206 I209 L210I153-L156 HydrophobicContact CG2-CD1 4.35Å; I153-L156 HydrophobicContact CG2-CD2 3.63Å; I153-L156 HydrophobicContact CG2-CG 3.73Å; L156-F163 HydrophobicContact CD2-CE1 4.45Å; L156-F163 HydrophobicContact CD2-CZ 3.91Å; L156-I165 HydrophobicContact CD2-CB 4.2Å; L156-I165 HydrophobicContact CD2-CG1 3.88Å; L156-I165 HydrophobicContact CD2-CG2 3.92Å; L156-W206 PolarHBondContact O-NE1 2.88Å; L156-W206 VanDerWaalsContact O-NE1 3.1Å; L156-I209 HydrophobicContact CD1-CB 4.31Å; L156-I209 HydrophobicContact CD1-CG2 3.42Å; L156-I209 VanDerWaalsContact CD1-CG2 3.42Å; L156-L210 HydrophobicContact CB-CD2 4.1Å; L156-L210 HydrophobicContact CD1-CD2 4.08Å
157D92Very high92Very high0 Ų042.2 Ų42.20%021%0.205CC..EExtended strand (participates in β ladder)trans-141.3167.6-177.5-142.9-29.2000109.6K155 L164 Y166 S229 K230K155-D157 WeakPolarHBondContact CE-OD2 3.34Å; K155-D157 IonicContact NZ-OD2 2.68Å; K155-D157 PolarHBondContact NZ-OD2 3.43Å; D157-L164 HydrophobicContact CB-CB 4.29Å; D157-L164 PolarHBondContact N-O 2.63Å; D157-L164 PolarHBondContact O-N 2.97Å; D157-Y166 HydrophobicContact CB-CD2 4.47Å; D157-Y166 HydrophobicContact CB-CE2 3.83Å; D157-S229 WeakPolarHBondContact OD1-CA 3.32Å; D157-K230 PolarHBondContact OD1-N 3.09Å; D157-K230 VanDerWaalsContact OD2-CD 3.27Å; D157-K230 WeakPolarHBondContact OD2-CD 3.32Å; D157-K230 VanDerWaalsContact OD2-CE 3.27Å; D157-K230 WeakPolarHBondContact OD2-CE 3.29Å; D157-K230 VanDerWaalsContact OD2-CG 3.26Å; D157-K230 WeakPolarHBondContact OD2-CG 3.43Å
158Y90.7Very high92Very high25 Ų2540.7 Ų40.710%0.09820%0.2CC..EExtended strand (participates in β ladder)trans-145.8148.6168.789-80.7000110.8D162 C202 K203 W206 S238Y158-D162 CarbonylContact C-O 3.56Å; Y158-D162 VanDerWaalsContact CA-O 3.29Å; Y158-D162 WeakPolarHBondContact CA-O 3.43Å; Y158-C202 HydrophobicContact CD2-CB 4.14Å; Y158-K203 HydrophobicContact CE1-CB 4.21Å; Y158-K203 HydrophobicContact CE1-CG 4.28Å; Y158-K203 HydrophobicContact CE2-CB 3.89Å; Y158-W206 HydrophobicContact CD1-CB 3.98Å; Y158-W206 AromaticContact CD1-CD2 3.65Å; Y158-W206 HydrophobicContact CD1-CD2 3.65Å; Y158-W206 AromaticContact CD1-CE3 3.85Å; Y158-W206 HydrophobicContact CD1-CE3 3.85Å; Y158-W206 AromaticContact CD1-CG 3.72Å; Y158-W206 HydrophobicContact CD1-CG 3.72Å; Y158-W206 HydrophobicContact CE1-CD2 4.12Å; Y158-W206 AromaticContact CE1-CE3 3.81Å; Y158-W206 HydrophobicContact CE1-CE3 3.81Å; Y158-W206 HydrophobicContact CE1-CZ3 4.23Å; Y158-W206 HydrophobicContact CG-CB 4.32Å; Y158-W206 HydrophobicContact CG-CG 4.4Å; Y158-S238 VanDerWaalsContact OH-CB 3.31Å; Y158-S238 WeakPolarHBondContact OH-CB 3.18Å; Y158-S238 PolarHBondContact OH-OG 2.72Å
159L88.5Confident91.4Very high65 Ų6546.2 Ų46.234%0.3423%0.229SC..EExtended strand (participates in β ladder)trans-138.690.6-175.1-170.267.3000109.6K161 D162 L164 K230 Q232L159-K161 PolarHBondContact O-N 3.27Å; L159-D162 PolarHBondContact N-O 3.39Å; L159-D162 PolarHBondContact O-N 3.07Å; L159-L164 HydrophobicContact CB-CD1 4.21Å; L159-K230 HydrophobicContact CD1-CB 4.37Å; L159-Q232 VanDerWaalsContact C-NE2 3.26Å; L159-Q232 HydrophobicContact CD1-CG 4.11Å
160G87.3Confident90.5Very high17 Ų1745.1 Ų45.118%0.17524%0.244CC..THydrogen-bonded Turntrans69.5-117.7-175.700000109.8A199 C202G160-A199 VanDerWaalsContact O-CA 3.29Å; G160-A199 WeakPolarHBondContact O-CA 3.38Å; G160-A199 WeakPolarHBondContact O-CB 3.4Å; G160-C202 WeakPolarHBondContact O-CB 3.46Å
161K90.9Very high89.7Confident112 Ų11245.8 Ų45.849%0.48725%0.247SC..THydrogen-bonded Turntrans-83.5-13176.2-59.1-166-179.7-160.80113.8L159 T195 C196 V197 C202L159-K161 PolarHBondContact O-N 3.27Å; K161-T195 HydrophobicContact CB-CG2 3.96Å; K161-C196 WeakPolarHBondContact O-CB 3.42Å; K161-C196 PolarHBondContact O-N 3.11Å; K161-V197 WeakPolarHBondContact CD-O 3.25Å; K161-V197 WeakPolarHBondContact CE-O 3.46Å; K161-V197 PolarHBondContact NZ-O 2.87Å; K161-C202 PolarHBondContact O-SG 3.31Å
162D91.8Very high88.5Confident39 Ų3946.8 Ų46.821%0.20925%0.247CC..EExtended strand (participates in β ladder)trans-91.7118.9-175.5-76.8-8.7000112.1Y158 L159 L164 R193 T195 C202Y158-D162 CarbonylContact C-O 3.56Å; Y158-D162 VanDerWaalsContact CA-O 3.29Å; Y158-D162 WeakPolarHBondContact CA-O 3.43Å; L159-D162 PolarHBondContact N-O 3.39Å; L159-D162 PolarHBondContact O-N 3.07Å; D162-L164 HydrophobicContact CB-CD2 4.35Å; D162-R193 HydrophobicContact CB-CG 4.2Å; D162-R193 WeakPolarHBondContact OD2-CD 3.22Å; D162-T195 WeakPolarHBondContact OD1-CB 3.37Å; D162-T195 WeakPolarHBondContact OD1-CG2 3.5Å; D162-T195 PolarHBondContact OD1-OG1 3.43Å; D162-C202 VanDerWaalsContact C-SG 3.5Å
163F93.2Very high87.4Confident0 Ų047.4 Ų47.40%025%0.25CS..EExtended strand (participates in β ladder)trans-86.3133.8167.3-177.4-111.9000109.8L129 L156 I165 R193 F194 C202 L205 W206 I209L129-F163 HydrophobicContact CD2-CD1 3.64Å; L129-F163 HydrophobicContact CD2-CE1 3.89Å; L156-F163 HydrophobicContact CD2-CE1 4.45Å; L156-F163 HydrophobicContact CD2-CZ 3.91Å; F163-I165 HydrophobicContact CD1-CG1 4.11Å; F163-I165 HydrophobicContact CE1-CD1 3.91Å; F163-I165 HydrophobicContact CE1-CG1 3.59Å; F163-I165 HydrophobicContact CZ-CG1 4.34Å; F163-R193 WeakPolarHBondContact O-CA 3.33Å; F163-F194 HydrophobicContact CB-CB 4.46Å; F163-F194 HydrophobicContact CD1-CD2 4.15Å; F163-F194 PolarHBondContact N-O 2.87Å; F163-F194 PolarHBondContact O-N 3.17Å; F163-C202 PolarHBondContact N-SG 3.35Å; F163-C202 VanDerWaalsContact N-SG 3.4Å; F163-L205 HydrophobicContact CB-CD2 3.99Å; F163-L205 HydrophobicContact CD1-CD2 4.07Å; F163-L205 HydrophobicContact CD2-CD2 4.28Å; F163-L205 HydrophobicContact CD2-CG 4.27Å; F163-L205 HydrophobicContact CE2-CG 4.45Å; F163-L205 HydrophobicContact CG-CD2 3.86Å; F163-L205 HydrophobicContact CG-CG 4.3Å; F163-W206 HydrophobicContact CD2-CB 4.11Å; F163-W206 HydrophobicContact CE2-CB 3.92Å; F163-W206 AromaticContact CE2-CD1 3.94Å; F163-W206 HydrophobicContact CE2-CG 4.36Å; F163-I209 HydrophobicContact CE1-CD1 3.77Å; F163-I209 HydrophobicContact CZ-CB 4.46Å; F163-I209 HydrophobicContact CZ-CD1 3.63Å
164L92.3Very high85.8Confident16 Ų1650.9 Ų50.98%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-126.1119.3-169.6-57.8175.5000111.4D157 L159 D162 Y166 V191 F192 R193D157-L164 HydrophobicContact CB-CB 4.29Å; D157-L164 PolarHBondContact N-O 2.63Å; D157-L164 PolarHBondContact O-N 2.97Å; L159-L164 HydrophobicContact CB-CD1 4.21Å; D162-L164 HydrophobicContact CB-CD2 4.35Å; L164-Y166 HydrophobicContact CB-CE2 3.91Å; L164-V191 HydrophobicContact CB-CG1 4.42Å; L164-V191 HydrophobicContact CD2-CG1 4.48Å; L164-F192 WeakPolarHBondContact CA-O 3.42Å; L164-R193 HydrophobicContact CD2-CB 3.81Å; L164-R193 HydrophobicContact CD2-CG 3.97Å
165I93.6Very high83.7Confident0 Ų054 Ų540%029%0.292CS..EExtended strand (participates in β ladder)trans-106.4110.6174.3-49.3-176.5000108.7V136 L148 I153 L156 F163 L167 V191 F192 F194V136-I165 HydrophobicContact CG1-CD1 3.82Å; L148-I165 HydrophobicContact CD1-CD1 4.41Å; L148-I165 HydrophobicContact CD1-CG2 4.03Å; I153-I165 HydrophobicContact CG1-CG2 4.15Å; I153-I165 HydrophobicContact CG2-CG2 4.01Å; L156-I165 HydrophobicContact CD2-CB 4.2Å; L156-I165 HydrophobicContact CD2-CG1 3.88Å; L156-I165 HydrophobicContact CD2-CG2 3.92Å; F163-I165 HydrophobicContact CD1-CG1 4.11Å; F163-I165 HydrophobicContact CE1-CD1 3.91Å; F163-I165 HydrophobicContact CE1-CG1 3.59Å; F163-I165 HydrophobicContact CZ-CG1 4.34Å; I165-L167 HydrophobicContact CG2-CD2 4.41Å; I165-V191 CarbonylContact O-C 3.58Å; I165-V191 VanDerWaalsContact O-CA 3.25Å; I165-V191 WeakPolarHBondContact O-CA 3.33Å; I165-F192 HydrophobicContact CB-CB 4.27Å; I165-F192 PolarHBondContact N-O 3.02Å; I165-F192 PolarHBondContact O-N 2.77Å; I165-F194 HydrophobicContact CD1-CD2 4.44Å; I165-F194 HydrophobicContact CD1-CE2 3.76Å; I165-F194 HydrophobicContact CG1-CE2 4.19Å
166Y91.3Very high81.3Confident54 Ų5454.5 Ų54.521%0.21231%0.309CS..EExtended strand (participates in β ladder)trans-87122.7171.8-63.5-95.4000108.9K154 K155 D157 L164 V191 K230K154-Y166 WeakPolarHBondContact CB-O 3.44Å; K154-Y166 PolarHBondContact N-O 3.5Å; K155-Y166 HydrophobicContact CB-CD2 3.97Å; K155-Y166 HydrophobicContact CB-CG 4.2Å; K155-Y166 HydrophobicContact CG-CD2 4.32Å; K155-Y166 PolarHBondContact N-O 3.03Å; K155-Y166 VanDerWaalsContact N-O 3.17Å; K155-Y166 WeakPolarHBondContact O-CB 3.48Å; K155-Y166 PolarHBondContact O-N 2.76Å; D157-Y166 HydrophobicContact CB-CD2 4.47Å; D157-Y166 HydrophobicContact CB-CE2 3.83Å; L164-Y166 HydrophobicContact CB-CE2 3.91Å; Y166-V191 HydrophobicContact CD1-CB 4.45Å; Y166-V191 HydrophobicContact CD1-CG1 4.26Å; Y166-V191 HydrophobicContact CD1-CG2 3.38Å; Y166-V191 HydrophobicContact CE1-CB 4.47Å; Y166-V191 HydrophobicContact CE1-CG1 4.07Å; Y166-V191 HydrophobicContact CE1-CG2 3.48Å; Y166-V191 VanDerWaalsContact CE1-CG2 3.48Å; Y166-V191 HydrophobicContact CG-CG1 4.5Å; Y166-V191 HydrophobicContact CG-CG2 4.19Å; Y166-K230 PolarHBondContact OH-NZ 2.97Å
167L91.4Very high79Confident4 Ų459.7 Ų59.72%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-83.7159.4-178.8-55.7166.3000111.5L148 D152 K154 I165 F171 L173 K190 F192L148-L167 HydrophobicContact CD1-CD2 3.66Å; L148-L167 HydrophobicContact CD2-CD2 3.8Å; L148-L167 HydrophobicContact CG-CD2 4.39Å; D152-L167 CarbonylContact O-C 3.53Å; D152-L167 WeakPolarHBondContact O-CA 3.42Å; K154-L167 VanDerWaalsContact CB-O 3.32Å; K154-L167 WeakPolarHBondContact CB-O 3.4Å; I165-L167 HydrophobicContact CG2-CD2 4.41Å; L167-F171 HydrophobicContact CB-CD1 4.43Å; L167-F171 HydrophobicContact CD1-CD1 3.98Å; L167-F171 HydrophobicContact CD1-CE1 4.31Å; L167-F171 HydrophobicContact CD2-CD1 4.29Å; L167-F171 HydrophobicContact CD2-CE1 4.46Å; L167-F171 HydrophobicContact CG-CD1 4.47Å; L167-L173 HydrophobicContact CD1-CD2 4.08Å; L167-L173 HydrophobicContact CD1-CG 4.49Å; L167-K190 HydrophobicContact CB-CB 4.08Å; L167-K190 HydrophobicContact CD1-CB 4.39Å; L167-K190 PolarHBondContact N-O 3.34Å; L167-F192 HydrophobicContact CD1-CD2 4.04Å; L167-F192 HydrophobicContact CD1-CE2 3.76Å; L167-F192 HydrophobicContact CD2-CD2 3.98Å; L167-F192 HydrophobicContact CD2-CE2 3.94Å; L167-F192 HydrophobicContact CG-CD2 4.27Å; L167-F192 HydrophobicContact CG-CE2 4.32Å
168A89.8Confident76.8Confident23 Ų2363 Ų6319%0.1937%0.366CS..PPolyproline II helixtrans-63.8148.5172.400000111.5D152 G170 F171D152-A168 PolarHBondContact O-N 3.23Å; A168-G170 PolarHBondContact O-N 2.83Å; A168-F171 HydrophobicContact CB-CB 4.38Å; A168-F171 PolarHBondContact O-N 3.17Å; A168-F171 VanDerWaalsContact O-N 3.08Å
169D80.9Confident74.8Confident116 Ų11663.6 Ų63.662%0.6237%0.371SS*.THydrogen-bonded Turntrans-67.6-25.8-174.1-53.4-55.1000112.1K154 K190K154-D169 IonicContact NZ-OD1 2.63Å; K154-D169 PolarHBondContact NZ-OD1 3.41Å; K154-D169 IonicContact NZ-OD2 2.7Å; K154-D169 PolarHBondContact NZ-OD2 2.99Å; D169-K190 PolarHBondContact O-NZ 3.04Å
170G76.2Confident72.8Confident72 Ų7263.4 Ų63.474%0.74237%0.37SS*.THydrogen-bonded Turntrans-86.2-7.8173.100000115.9A168 E172A168-G170 PolarHBondContact O-N 2.83Å; G170-E172 PolarHBondContact O-N 2.87Å
171F77.9Confident70.5Confident32 Ų3269.8 Ų69.814%0.1440%0.4CS..PPolyproline II helixtrans-74.9121.3-179.2-174.4-97.7000110.9L148 D152 L167 A168 L173 K190L148-F171 HydrophobicContact CD2-CE1 3.8Å; L148-F171 HydrophobicContact CD2-CE2 4.1Å; L148-F171 HydrophobicContact CD2-CZ 3.48Å; L148-F171 VanDerWaalsContact CD2-CZ 3.48Å; D152-F171 HydrophobicContact CB-CD2 3.57Å; D152-F171 HydrophobicContact CB-CE2 3.85Å; D152-F171 HydrophobicContact CB-CG 4.16Å; D152-F171 WeakPolarHBondContact OD1-CD2 3.46Å; L167-F171 HydrophobicContact CB-CD1 4.43Å; L167-F171 HydrophobicContact CD1-CD1 3.98Å; L167-F171 HydrophobicContact CD1-CE1 4.31Å; L167-F171 HydrophobicContact CD2-CD1 4.29Å; L167-F171 HydrophobicContact CD2-CE1 4.46Å; L167-F171 HydrophobicContact CG-CD1 4.47Å; A168-F171 HydrophobicContact CB-CB 4.38Å; A168-F171 PolarHBondContact O-N 3.17Å; A168-F171 VanDerWaalsContact O-N 3.08Å; F171-L173 HydrophobicContact CE1-CD2 4.08Å; F171-L173 HydrophobicContact CE1-CG 4.5Å; F171-K190 PolarHBondContact O-NZ 2.8Å
172E69Low68.2Low167 Ų16772.1 Ų72.178%0.7841%0.413SS*.PPolyproline II helixtrans-93.8133170.1-62-163.6153.800109.6G170 P174G170-E172 PolarHBondContact O-N 2.87Å; E172-P174 WeakPolarHBondContact O-CD 3.49Å
173L67.3Low65.9Low51 Ų5172.3 Ų72.327%0.26742%0.424SS..PPolyproline II helixtrans-71.7125178.6-77.8161.5000109.4L167 F171 M175 L180 L185 F192L167-L173 HydrophobicContact CD1-CD2 4.08Å; L167-L173 HydrophobicContact CD1-CG 4.49Å; F171-L173 HydrophobicContact CE1-CD2 4.08Å; F171-L173 HydrophobicContact CE1-CG 4.5Å; L173-M175 PolarHBondContact O-N 2.76Å; L173-M175 VanDerWaalsContact O-N 3.1Å; L173-L180 HydrophobicContact CB-CD1 4.44Å; L173-L180 HydrophobicContact CD1-CD2 4.46Å; L173-L185 HydrophobicContact CD1-CD2 3.55Å; L173-F192 HydrophobicContact CD2-CE1 4.17Å; L173-F192 HydrophobicContact CD2-CE2 3.95Å; L173-F192 HydrophobicContact CD2-CZ 3.36Å
174P59.3Low63.5Low76 Ų7676.7 Ų76.749%0.49446%0.455SS..PPolyproline II helixtrans-57.4119.4170.1-22.533.3000109.4E172 A176E172-P174 WeakPolarHBondContact O-CD 3.49Å; P174-A176 PolarHBondContact O-N 2.76Å
175M48.1Very low61.5Low190 Ų19078 Ų7894%0.93646%0.462SS*.THydrogen-bonded Turntrans-65.5-8.2-178.7-65-166.1-7100113.5L173L173-M175 PolarHBondContact O-N 2.76Å; L173-M175 VanDerWaalsContact O-N 3.1Å
176A42.2Very low59.1Low80 Ų8080.7 Ų80.766%0.66148%0.481SS*.THydrogen-bonded Turntrans-95-3.4-160.800000116.3P174P174-A176 PolarHBondContact O-N 2.76Å
177H46.4Very low57Low114 Ų11488.4 Ų88.453%0.52852%0.515SS..SBendtrans-123.7115.9-176.2-58.6-39.9000112.1L179H177-L179 PolarHBondContact O-N 3.35Å
178G44.3Very low55Low69 Ų6999.8 Ų99.871%0.71156%0.558SS**G310 helixtrans-6722.5-164.800000118.4L180G178-L180 PolarHBondContact O-N 2.82Å
179L48.5Very low53.4Low38 Ų38105.4 Ų105.420%0.19958%0.578CS.*G310 helixtrans-65.6-21.7167.1-77-179.6000113L127 T145 L146 H177 N181L127-L179 HydrophobicContact CD1-CD2 3.86Å; L127-L179 HydrophobicContact CD2-CD2 4.06Å; T145-L179 VanDerWaalsContact O-CD1 3.28Å; T145-L179 WeakPolarHBondContact O-CD1 3.38Å; L146-L179 HydrophobicContact CB-CD1 4.15Å; H177-L179 PolarHBondContact O-N 3.35Å; L179-N181 VanDerWaalsContact C-N 3.28Å; L179-N181 PolarHBondContact O-N 2.93Å
180L47.4Very low53.3Low61 Ų61104.1 Ų104.132%0.31957%0.567SS.*G310 helixtrans-79.2-1.3-169.8-63.5-179.5000115.3L173 G178 L185 F192L173-L180 HydrophobicContact CB-CD1 4.44Å; L173-L180 HydrophobicContact CD1-CD2 4.46Å; G178-L180 PolarHBondContact O-N 2.82Å; L180-L185 HydrophobicContact CD2-CD1 4.28Å; L180-L185 HydrophobicContact CD2-CD2 4.15Å; L180-F192 HydrophobicContact CD2-CE1 4.08Å
181N39.4Very low53.8Low151 Ų151102 Ų10281%0.80754%0.54SS*.G310 helixtrans-101.2-16.1-178.4-73.2-7.8000115.1L179L179-N181 VanDerWaalsContact C-N 3.28Å; L179-N181 PolarHBondContact O-N 2.93Å
182E42.2Very low54.3Low161 Ų161101.3 Ų101.375%0.75254%0.537SS*.THydrogen-bonded Turntrans-117.3-28.4-179.9-67.7-174.813400113.7K140K140-E182 IonicContact NZ-OE2 2.71Å
183G44.4Very low55.3Low43 Ų4398.9 Ų98.944%0.44352%0.52SS..SBendtrans-80.9122.7171.200000110.8L185G183-L185 PolarHBondContact O-N 2.92Å
184S41.8Very low56.5Low93 Ų9396.9 Ų96.965%0.6551%0.51SS*.  trans-64.781.5177.2176.10000111.9S186 R193S184-S186 PolarHBondContact O-N 2.83Å; S184-R193 PolarHBondContact O-NH2 2.7Å
185L49.9Very low58Low42 Ų4296 Ų9622%0.2250%0.502CS..  trans-89.290.8171.2-155108.8000107.3L173 L180 G183 K187 V191 F192L173-L185 HydrophobicContact CD1-CD2 3.55Å; L180-L185 HydrophobicContact CD2-CD1 4.28Å; L180-L185 HydrophobicContact CD2-CD2 4.15Å; G183-L185 PolarHBondContact O-N 2.92Å; L185-K187 PolarHBondContact O-N 2.81Å; L185-V191 WeakPolarHBondContact CD1-O 3.48Å; L185-F192 HydrophobicContact CD1-CD1 3.7Å; L185-F192 HydrophobicContact CD1-CE1 3.9Å; L185-F192 HydrophobicContact CD1-CG 4.44Å
186S43.7Very low60.2Low58 Ų5887.2 Ų87.241%0.40646%0.46SS..  trans-58.8117.6172.864.10000108.1S184 R188 K189S184-S186 PolarHBondContact O-N 2.83Å; S186-R188 PolarHBondContact O-N 2.82Å; S186-K189 PolarHBondContact O-N 2.91Å
187K48.1Very low62.5Low215 Ų21587.1 Ų87.194%0.93545%0.451SS*.THydrogen-bonded Turntrans-51.4-16.5-178.4-69.7-176.9175.5-178.40114.4L185L185-K187 PolarHBondContact O-N 2.81Å
188R47.7Very low64.6Low243 Ų24382.1 Ų82.192%0.91743%0.429SS*.THydrogen-bonded Turntrans-83.4-5.3173.4-60.4-169.1-175-178.93.2116.1S186S186-R188 PolarHBondContact O-N 2.82Å
189K57.2Low66.8Low141 Ų14180.9 Ų80.961%0.61341%0.412SS*.  trans-138.9114.3-176.1-59.4-177.7-177.9175.50110.4S186 V191S186-K189 PolarHBondContact O-N 2.91Å; K189-V191 HydrophobicContact CB-CG2 4.1Å; K189-V191 PolarHBondContact O-N 3.22Å
190K79.5Confident68.8Low89 Ų8980 Ų8039%0.38741%0.408SS..  trans-72.166.9174.4-60.8-166.6172.7-163.30111.3L167 D169 F171L167-K190 HydrophobicContact CB-CB 4.08Å; L167-K190 HydrophobicContact CD1-CB 4.39Å; L167-K190 PolarHBondContact N-O 3.34Å; D169-K190 PolarHBondContact O-NZ 3.04Å; F171-K190 PolarHBondContact O-NZ 2.8Å
191V85.7Confident71Confident27 Ų2778.4 Ų78.416%0.16440%0.398CS..EExtended strand (participates in β ladder)trans-139118.3-172.6-172.20000110.8L164 I165 Y166 L185 K189L164-V191 HydrophobicContact CB-CG1 4.42Å; L164-V191 HydrophobicContact CD2-CG1 4.48Å; I165-V191 CarbonylContact O-C 3.58Å; I165-V191 VanDerWaalsContact O-CA 3.25Å; I165-V191 WeakPolarHBondContact O-CA 3.33Å; Y166-V191 HydrophobicContact CD1-CB 4.45Å; Y166-V191 HydrophobicContact CD1-CG1 4.26Å; Y166-V191 HydrophobicContact CD1-CG2 3.38Å; Y166-V191 HydrophobicContact CE1-CB 4.47Å; Y166-V191 HydrophobicContact CE1-CG1 4.07Å; Y166-V191 HydrophobicContact CE1-CG2 3.48Å; Y166-V191 VanDerWaalsContact CE1-CG2 3.48Å; Y166-V191 HydrophobicContact CG-CG1 4.5Å; Y166-V191 HydrophobicContact CG-CG2 4.19Å; L185-V191 WeakPolarHBondContact CD1-O 3.48Å; K189-V191 HydrophobicContact CB-CG2 4.1Å; K189-V191 PolarHBondContact O-N 3.22Å
192F88.6Confident73.5Confident18 Ų1871.2 Ų71.28%0.07936%0.36CS..EExtended strand (participates in β ladder)trans-82144.5164.6-67.7-68.7000110.5L146 L148 L164 I165 L167 L173 L180 L185 F194L146-F192 HydrophobicContact CD1-CD2 4.38Å; L146-F192 HydrophobicContact CD1-CE2 3.65Å; L146-F192 HydrophobicContact CD1-CZ 3.74Å; L146-F192 HydrophobicContact CD2-CD2 4.45Å; L146-F192 HydrophobicContact CD2-CE2 4.5Å; L148-F192 HydrophobicContact CD1-CD2 4.07Å; L148-F192 HydrophobicContact CD1-CE2 4.06Å; L148-F192 HydrophobicContact CD2-CE2 4.39Å; L164-F192 WeakPolarHBondContact CA-O 3.42Å; I165-F192 HydrophobicContact CB-CB 4.27Å; I165-F192 PolarHBondContact N-O 3.02Å; I165-F192 PolarHBondContact O-N 2.77Å; L167-F192 HydrophobicContact CD1-CD2 4.04Å; L167-F192 HydrophobicContact CD1-CE2 3.76Å; L167-F192 HydrophobicContact CD2-CD2 3.98Å; L167-F192 HydrophobicContact CD2-CE2 3.94Å; L167-F192 HydrophobicContact CG-CD2 4.27Å; L167-F192 HydrophobicContact CG-CE2 4.32Å; L173-F192 HydrophobicContact CD2-CE1 4.17Å; L173-F192 HydrophobicContact CD2-CE2 3.95Å; L173-F192 HydrophobicContact CD2-CZ 3.36Å; L180-F192 HydrophobicContact CD2-CE1 4.08Å; L185-F192 HydrophobicContact CD1-CD1 3.7Å; L185-F192 HydrophobicContact CD1-CE1 3.9Å; L185-F192 HydrophobicContact CD1-CG 4.44Å; F192-F194 HydrophobicContact CB-CD2 4.44Å; F192-F194 HydrophobicContact CB-CE2 3.59Å; F192-F194 HydrophobicContact CB-CZ 3.99Å; F192-F194 HydrophobicContact CG-CE2 4.44Å; F192-F194 HydrophobicContact CG-CZ 4.44Å
193R90.8Very high75.9Confident117 Ų11766.4 Ų66.444%0.44234%0.336SS..EExtended strand (participates in β ladder)trans-130.8130.6178.2165.9174.542.1173-4.8109.1D162 F163 L164 S184D162-R193 HydrophobicContact CB-CG 4.2Å; D162-R193 WeakPolarHBondContact OD2-CD 3.22Å; F163-R193 WeakPolarHBondContact O-CA 3.33Å; L164-R193 HydrophobicContact CD2-CB 3.81Å; L164-R193 HydrophobicContact CD2-CG 3.97Å; S184-R193 PolarHBondContact O-NH2 2.7Å
194F91.7Very high78.2Confident9 Ų967.8 Ų67.84%0.03933%0.331CS..EExtended strand (participates in β ladder)trans-129.5124.5178.7-57.5-86.5000109.4V124 L127 L129 L146 F163 I165 F192V124-F194 HydrophobicContact CB-CB 3.96Å; V124-F194 HydrophobicContact CG1-CB 4.47Å; V124-F194 HydrophobicContact CG2-CB 3.77Å; V124-F194 HydrophobicContact CG2-CD1 3.88Å; V124-F194 HydrophobicContact CG2-CG 4.1Å; L127-F194 HydrophobicContact CD1-CD1 4.27Å; L127-F194 HydrophobicContact CD1-CE1 4.06Å; L129-F194 HydrophobicContact CD1-CE2 4.41Å; L129-F194 HydrophobicContact CD1-CZ 4.37Å; L129-F194 HydrophobicContact CD2-CB 4.19Å; L129-F194 HydrophobicContact CD2-CD1 4.32Å; L129-F194 HydrophobicContact CD2-CD2 3.69Å; L129-F194 HydrophobicContact CD2-CE2 4.1Å; L129-F194 HydrophobicContact CD2-CG 3.81Å; L146-F194 HydrophobicContact CD2-CZ 3.9Å; F163-F194 HydrophobicContact CB-CB 4.46Å; F163-F194 HydrophobicContact CD1-CD2 4.15Å; F163-F194 PolarHBondContact N-O 2.87Å; F163-F194 PolarHBondContact O-N 3.17Å; I165-F194 HydrophobicContact CD1-CD2 4.44Å; I165-F194 HydrophobicContact CD1-CE2 3.76Å; I165-F194 HydrophobicContact CG1-CE2 4.19Å; F192-F194 HydrophobicContact CB-CD2 4.44Å; F192-F194 HydrophobicContact CB-CE2 3.59Å; F192-F194 HydrophobicContact CB-CZ 3.99Å; F192-F194 HydrophobicContact CG-CE2 4.44Å; F192-F194 HydrophobicContact CG-CZ 4.44Å
195T91.6Very high80.7Confident56 Ų5663.3 Ų63.334%0.34430%0.3SS..EExtended strand (participates in β ladder)trans-93.6128.1-178.2-49.70000110.7T125 K161 D162T125-T195 PolarHBondContact N-O 3.06Å; K161-T195 HydrophobicContact CB-CG2 3.96Å; D162-T195 WeakPolarHBondContact OD1-CB 3.37Å; D162-T195 WeakPolarHBondContact OD1-CG2 3.5Å; D162-T195 PolarHBondContact OD1-OG1 3.43Å
196C92.6Very high82.9Confident6 Ų661.4 Ų61.44%0.04129%0.29CS..  trans-92163.3178.2-63.60000111.4K161 S198 Y201 C202K161-C196 WeakPolarHBondContact O-CB 3.42Å; K161-C196 PolarHBondContact O-N 3.11Å; C196-S198 VanDerWaalsContact C-N 3.34Å; C196-S198 PolarHBondContact O-N 2.91Å; C196-Y201 HydrophobicContact CB-CD1 3.94Å; C196-C202 HydrophobicContact CB-CB 3.8Å; C196-C202 VanDerWaalsContact SG-SG 3.66Å
197V91.9Very high85.3Confident78 Ų7862.8 Ų62.847%0.47329%0.289SS..SBendtrans-59.2-42.7173-106.80000112.4K161 Y201 C372K161-V197 WeakPolarHBondContact CD-O 3.25Å; K161-V197 WeakPolarHBondContact CE-O 3.46Å; K161-V197 PolarHBondContact NZ-O 2.87Å; V197-Y201 HydrophobicContact CG2-CD1 4.18Å; V197-Y201 HydrophobicContact CG2-CG 4.16Å; V197-C372 HydrophobicContact CG1-CB 4.2Å
198S90.2Very high87.5Confident9 Ų954.2 Ų54.26%0.06325%0.251CS..  trans-139.8167.1179.270.70000113C196 T200 Y201 C202 E293C196-S198 VanDerWaalsContact C-N 3.34Å; C196-S198 PolarHBondContact O-N 2.91Å; S198-T200 PolarHBondContact OG-OG1 3.15Å; S198-Y201 WeakPolarHBondContact OG-CB 3.38Å; S198-Y201 PolarHBondContact OG-N 2.82Å; S198-Y201 VanDerWaalsContact OG-N 3.15Å; S198-C202 WeakPolarHBondContact O-CB 3.13Å; S198-C202 PolarHBondContact O-N 3.3Å; S198-E293 WeakPolarHBondContact CB-OE1 3.39Å; S198-E293 PolarHBondContact OG-OE1 3.27Å
199A90.5Very high89.8Confident44 Ų4442.6 Ų42.636%0.36421%0.207SC..Hα-helixtrans-74.1-28.1177.200000112.5G160 K203G160-A199 VanDerWaalsContact O-CA 3.29Å; G160-A199 WeakPolarHBondContact O-CA 3.38Å; G160-A199 WeakPolarHBondContact O-CB 3.4Å; A199-K203 VanDerWaalsContact O-CB 3.27Å; A199-K203 WeakPolarHBondContact O-CB 3.31Å; A199-K203 PolarHBondContact O-N 2.89Å
200T90Very high91.6Very high19 Ų1936.5 Ų36.512%0.11718%0.181CC..Hα-helixtrans-68.1-45.8173.654.90000110.6S198 C202 K203 Q204 D292 E293S198-T200 PolarHBondContact OG-OG1 3.15Å; T200-C202 PolarHBondContact O-N 3.29Å; T200-K203 WeakPolarHBondContact O-CB 3.24Å; T200-K203 PolarHBondContact O-N 2.86Å; T200-Q204 WeakPolarHBondContact O-CG 3.24Å; T200-Q204 PolarHBondContact O-N 2.82Å; T200-D292 HydrophobicContact CG2-CB 4.22Å; T200-E293 HydrophobicContact CG2-CG 4.33Å; T200-E293 PolarHBondContact OG1-OE1 3.12Å
201Y92.7Very high92.4Very high27 Ų2732.4 Ų32.411%0.10616%0.163CC..Hα-helixtrans-60.3-44.4172.5-168.5-94.7000112.2F122 T123 C196 V197 S198 K203 Q204 L205 V289F122-Y201 WeakPolarHBondContact CA-OH 3.27Å; F122-Y201 HydrophobicContact CB-CE1 4.15Å; F122-Y201 AromaticContact CD1-CE1 3.88Å; F122-Y201 HydrophobicContact CD1-CE1 3.88Å; F122-Y201 HydrophobicContact CD1-CE2 4.2Å; F122-Y201 AromaticContact CD1-CZ 3.69Å; T123-Y201 PolarHBondContact N-OH 3.25Å; T123-Y201 WeakPolarHBondContact O-CE1 3.46Å; C196-Y201 HydrophobicContact CB-CD1 3.94Å; V197-Y201 HydrophobicContact CG2-CD1 4.18Å; V197-Y201 HydrophobicContact CG2-CG 4.16Å; S198-Y201 WeakPolarHBondContact OG-CB 3.38Å; S198-Y201 PolarHBondContact OG-N 2.82Å; S198-Y201 VanDerWaalsContact OG-N 3.15Å; Y201-K203 VanDerWaalsContact C-N 3.34Å; Y201-K203 PolarHBondContact O-N 2.96Å; Y201-Q204 WeakPolarHBondContact O-CB 3.41Å; Y201-Q204 PolarHBondContact O-N 2.92Å; Y201-Q204 VanDerWaalsContact O-N 3.16Å; Y201-L205 PolarHBondContact O-N 2.86Å; Y201-V289 HydrophobicContact CD2-CG1 4.07Å; Y201-V289 HydrophobicContact CD2-CG2 3.78Å; Y201-V289 HydrophobicContact CE2-CG2 4.12Å
202C93.5Very high92.9Very high0 Ų031.2 Ų31.20%016%0.156CC..Hα-helixtrans-60.4-41.8176.1-1630000112.6Y158 G160 K161 D162 F163 C196 S198 T200 L205 W206Y158-C202 HydrophobicContact CD2-CB 4.14Å; G160-C202 WeakPolarHBondContact O-CB 3.46Å; K161-C202 PolarHBondContact O-SG 3.31Å; D162-C202 VanDerWaalsContact C-SG 3.5Å; F163-C202 PolarHBondContact N-SG 3.35Å; F163-C202 VanDerWaalsContact N-SG 3.4Å; C196-C202 HydrophobicContact CB-CB 3.8Å; C196-C202 VanDerWaalsContact SG-SG 3.66Å; S198-C202 WeakPolarHBondContact O-CB 3.13Å; S198-C202 PolarHBondContact O-N 3.3Å; T200-C202 PolarHBondContact O-N 3.29Å; C202-L205 PolarHBondContact O-N 2.76Å; C202-W206 WeakPolarHBondContact O-CB 3.34Å; C202-W206 PolarHBondContact O-N 3.31Å
203K92.6Very high93.2Very high61 Ų6132.7 Ų32.727%0.26516%0.163SC..Hα-helixtrans-64.2-37.7174178.5-174.1176-170.50112Y158 A199 T200 Y201 K207 S238Y158-K203 HydrophobicContact CE1-CB 4.21Å; Y158-K203 HydrophobicContact CE1-CG 4.28Å; Y158-K203 HydrophobicContact CE2-CB 3.89Å; A199-K203 VanDerWaalsContact O-CB 3.27Å; A199-K203 WeakPolarHBondContact O-CB 3.31Å; A199-K203 PolarHBondContact O-N 2.89Å; T200-K203 WeakPolarHBondContact O-CB 3.24Å; T200-K203 PolarHBondContact O-N 2.86Å; Y201-K203 VanDerWaalsContact C-N 3.34Å; Y201-K203 PolarHBondContact O-N 2.96Å; K203-K207 WeakPolarHBondContact O-CB 3.32Å; K203-K207 VanDerWaalsContact O-CG 3.31Å; K203-K207 WeakPolarHBondContact O-CG 3.42Å; K203-K207 PolarHBondContact O-N 3.44Å; K203-S238 WeakPolarHBondContact CE-OG 3.28Å
204Q92.4Very high93.4Very high71 Ų7127.4 Ų27.433%0.33214%0.144SC..Hα-helixtrans-65-49.7174-72.4-178-12.300111.5F122 T200 Y201 W206 K207 Y208 D288F122-Q204 HydrophobicContact CE1-CB 4.41Å; T200-Q204 WeakPolarHBondContact O-CG 3.24Å; T200-Q204 PolarHBondContact O-N 2.82Å; Y201-Q204 WeakPolarHBondContact O-CB 3.41Å; Y201-Q204 PolarHBondContact O-N 2.92Å; Y201-Q204 VanDerWaalsContact O-N 3.16Å; Q204-W206 VanDerWaalsContact C-N 3.34Å; Q204-W206 PolarHBondContact O-N 3.16Å; Q204-K207 PolarHBondContact O-N 2.85Å; Q204-Y208 WeakPolarHBondContact O-CB 3.44Å; Q204-Y208 PolarHBondContact O-N 3.08Å; Q204-D288 PolarHBondContact NE2-O 3.39Å
205L94.9Very high93.6Very high0 Ų027.6 Ų27.60%015%0.145CC..Hα-helixtrans-54.1-47.8173.9168.362.3000111.8F122 V124 L129 F163 Y201 C202 K207 Y208 I209F122-L205 HydrophobicContact CB-CD1 3.88Å; F122-L205 HydrophobicContact CD1-CB 3.84Å; F122-L205 HydrophobicContact CD1-CD1 4.22Å; F122-L205 HydrophobicContact CD2-CD1 3.74Å; F122-L205 HydrophobicContact CE1-CB 4.08Å; F122-L205 HydrophobicContact CE2-CD1 4.31Å; F122-L205 HydrophobicContact CG-CB 4.2Å; F122-L205 HydrophobicContact CG-CD1 3.7Å; F122-L205 HydrophobicContact CG-CG 4.45Å; V124-L205 HydrophobicContact CG1-CD2 3.8Å; L129-L205 HydrophobicContact CD2-CD2 4.18Å; F163-L205 HydrophobicContact CB-CD2 3.99Å; F163-L205 HydrophobicContact CD1-CD2 4.07Å; F163-L205 HydrophobicContact CD2-CD2 4.28Å; F163-L205 HydrophobicContact CD2-CG 4.27Å; F163-L205 HydrophobicContact CE2-CG 4.45Å; F163-L205 HydrophobicContact CG-CD2 3.86Å; F163-L205 HydrophobicContact CG-CG 4.3Å; Y201-L205 PolarHBondContact O-N 2.86Å; C202-L205 PolarHBondContact O-N 2.76Å; L205-K207 PolarHBondContact O-N 2.95Å; L205-Y208 PolarHBondContact O-N 3.25Å; L205-I209 HydrophobicContact CD1-CD1 3.52Å; L205-I209 HydrophobicContact CD1-CG1 3.95Å; L205-I209 HydrophobicContact CG-CD1 4.32Å; L205-I209 PolarHBondContact O-N 3.28Å
206W94.8Very high93.7Very high1 Ų126 Ų260%0.00413%0.133CC..Hα-helixtrans-60.8-45.8177.7175.977.7000112.4L156 Y158 F163 C202 Q204 Y208 L210 Q227 F240L156-W206 PolarHBondContact O-NE1 2.88Å; L156-W206 VanDerWaalsContact O-NE1 3.1Å; Y158-W206 HydrophobicContact CD1-CB 3.98Å; Y158-W206 AromaticContact CD1-CD2 3.65Å; Y158-W206 HydrophobicContact CD1-CD2 3.65Å; Y158-W206 AromaticContact CD1-CE3 3.85Å; Y158-W206 HydrophobicContact CD1-CE3 3.85Å; Y158-W206 AromaticContact CD1-CG 3.72Å; Y158-W206 HydrophobicContact CD1-CG 3.72Å; Y158-W206 HydrophobicContact CE1-CD2 4.12Å; Y158-W206 AromaticContact CE1-CE3 3.81Å; Y158-W206 HydrophobicContact CE1-CE3 3.81Å; Y158-W206 HydrophobicContact CE1-CZ3 4.23Å; Y158-W206 HydrophobicContact CG-CB 4.32Å; Y158-W206 HydrophobicContact CG-CG 4.4Å; F163-W206 HydrophobicContact CD2-CB 4.11Å; F163-W206 HydrophobicContact CE2-CB 3.92Å; F163-W206 AromaticContact CE2-CD1 3.94Å; F163-W206 HydrophobicContact CE2-CG 4.36Å; C202-W206 WeakPolarHBondContact O-CB 3.34Å; C202-W206 PolarHBondContact O-N 3.31Å; Q204-W206 VanDerWaalsContact C-N 3.34Å; Q204-W206 PolarHBondContact O-N 3.16Å; W206-Y208 VanDerWaalsContact C-N 3.34Å; W206-Y208 PolarHBondContact O-N 3.14Å; W206-L210 HydrophobicContact CD2-CD1 3.81Å; W206-L210 HydrophobicContact CE3-CD1 4.34Å; W206-L210 HydrophobicContact CG-CD1 4.32Å; W206-L210 HydrophobicContact CH2-CD1 4.09Å; W206-L210 HydrophobicContact CZ2-CD1 3.52Å; W206-L210 HydrophobicContact CZ3-CD1 4.47Å; W206-L210 VanDerWaalsContact O-CB 3.31Å; W206-L210 WeakPolarHBondContact O-CB 3.29Å; W206-L210 VanDerWaalsContact O-CG 3.29Å; W206-L210 WeakPolarHBondContact O-CG 3.28Å; W206-L210 PolarHBondContact O-N 2.89Å; W206-Q227 HydrophobicContact CH2-CB 4.43Å; W206-Q227 HydrophobicContact CZ2-CB 4.07Å; W206-F240 HydrophobicContact CH2-CB 3.81Å; W206-F240 HydrophobicContact CZ3-CB 3.82Å
207K94.1Very high93.8Very high87 Ų8728.7 Ų28.738%0.37815%0.15SC..Hα-helixtrans-63.7-37.1174.2-72.8-178.9175.1-172.20112.7K203 Q204 L205 A211 F240K203-K207 WeakPolarHBondContact O-CB 3.32Å; K203-K207 VanDerWaalsContact O-CG 3.31Å; K203-K207 WeakPolarHBondContact O-CG 3.42Å; K203-K207 PolarHBondContact O-N 3.44Å; Q204-K207 PolarHBondContact O-N 2.85Å; L205-K207 PolarHBondContact O-N 2.95Å; K207-A211 WeakPolarHBondContact O-CB 3.13Å; K207-A211 PolarHBondContact O-N 2.78Å; K207-F240 HydrophobicContact CB-CD2 4.1Å; K207-F240 HydrophobicContact CG-CD2 4.06Å; K207-F240 WeakPolarHBondContact O-CE2 3.33Å
208Y94.8Very high93.8Very high35 Ų3526.4 Ų26.414%0.13714%0.137CC..Hα-helixtrans-64.3-55.2177.8170-94.8000111.1Y120 F122 A131 Q204 L205 W206 L210 A211 Q212Y120-Y208 WeakPolarHBondContact CB-OH 3.43Å; Y120-Y208 HydrophobicContact CG-CE2 4.48Å; F122-Y208 HydrophobicContact CD2-CD1 4.24Å; F122-Y208 AromaticContact CE2-CD1 3.49Å; F122-Y208 HydrophobicContact CE2-CD1 3.49Å; F122-Y208 VanDerWaalsContact CE2-CD1 3.49Å; F122-Y208 HydrophobicContact CE2-CD2 4.17Å; F122-Y208 HydrophobicContact CE2-CE1 4.09Å; F122-Y208 AromaticContact CE2-CG 3.56Å; F122-Y208 HydrophobicContact CE2-CG 3.56Å; F122-Y208 HydrophobicContact CZ-CD1 4.28Å; F122-Y208 HydrophobicContact CZ-CD2 4.49Å; F122-Y208 AromaticContact CZ-CG 3.94Å; F122-Y208 HydrophobicContact CZ-CG 3.94Å; A131-Y208 HydrophobicContact CB-CE1 4.12Å; A131-Y208 PolarHBondContact O-OH 3.3Å; A131-Y208 VanDerWaalsContact O-OH 3.14Å; Q204-Y208 WeakPolarHBondContact O-CB 3.44Å; Q204-Y208 PolarHBondContact O-N 3.08Å; L205-Y208 PolarHBondContact O-N 3.25Å; W206-Y208 VanDerWaalsContact C-N 3.34Å; W206-Y208 PolarHBondContact O-N 3.14Å; Y208-L210 VanDerWaalsContact C-N 3.32Å; Y208-L210 PolarHBondContact O-N 2.91Å; Y208-A211 WeakPolarHBondContact O-CB 3.32Å; Y208-A211 PolarHBondContact O-N 3.06Å; Y208-A211 VanDerWaalsContact O-N 3.07Å; Y208-Q212 HydrophobicContact CD1-CG 4.4Å; Y208-Q212 HydrophobicContact CE1-CG 3.86Å; Y208-Q212 HydrophobicContact CE2-CG 4.07Å; Y208-Q212 VanDerWaalsContact CE2-NE2 3.28Å; Y208-Q212 VanDerWaalsContact CZ-NE2 3.27Å; Y208-Q212 PolarHBondContact O-N 2.96Å; Y208-Q212 PolarHBondContact OH-NE2 2.9Å
209I96Very high93.8Very high0 Ų032.9 Ų32.90%017%0.166CC..Hα-helixtrans-64.8-38.2-178.2-61.9-179.1000110.7A131 V136 W150 L156 F163 L205 A211 Q212 K213A131-I209 HydrophobicContact CB-CG1 4.17Å; A131-I209 HydrophobicContact CB-CG2 4.24Å; V136-I209 HydrophobicContact CG1-CD1 4.45Å; V136-I209 HydrophobicContact CG2-CD1 4.4Å; V136-I209 HydrophobicContact CG2-CG2 3.55Å; W150-I209 HydrophobicContact CH2-CG2 3.99Å; W150-I209 HydrophobicContact CZ3-CG2 3.94Å; L156-I209 HydrophobicContact CD1-CB 4.31Å; L156-I209 HydrophobicContact CD1-CG2 3.42Å; L156-I209 VanDerWaalsContact CD1-CG2 3.42Å; F163-I209 HydrophobicContact CE1-CD1 3.77Å; F163-I209 HydrophobicContact CZ-CB 4.46Å; F163-I209 HydrophobicContact CZ-CD1 3.63Å; L205-I209 HydrophobicContact CD1-CD1 3.52Å; L205-I209 HydrophobicContact CD1-CG1 3.95Å; L205-I209 HydrophobicContact CG-CD1 4.32Å; L205-I209 PolarHBondContact O-N 3.28Å; I209-A211 VanDerWaalsContact C-N 3.32Å; I209-A211 PolarHBondContact O-N 3.04Å; I209-Q212 PolarHBondContact O-N 3.02Å; I209-K213 PolarHBondContact O-N 3.08Å
210L95.1Very high93.7Very high12 Ų1235.7 Ų35.76%0.06317%0.17CC..Hα-helixtrans-62-37.6173.1-77.2-179000112.9L156 W206 Y208 A214 Q227 F240L156-L210 HydrophobicContact CB-CD2 4.1Å; L156-L210 HydrophobicContact CD1-CD2 4.08Å; W206-L210 HydrophobicContact CD2-CD1 3.81Å; W206-L210 HydrophobicContact CE3-CD1 4.34Å; W206-L210 HydrophobicContact CG-CD1 4.32Å; W206-L210 HydrophobicContact CH2-CD1 4.09Å; W206-L210 HydrophobicContact CZ2-CD1 3.52Å; W206-L210 HydrophobicContact CZ3-CD1 4.47Å; W206-L210 VanDerWaalsContact O-CB 3.31Å; W206-L210 WeakPolarHBondContact O-CB 3.29Å; W206-L210 VanDerWaalsContact O-CG 3.29Å; W206-L210 WeakPolarHBondContact O-CG 3.28Å; W206-L210 PolarHBondContact O-N 2.89Å; Y208-L210 VanDerWaalsContact C-N 3.32Å; Y208-L210 PolarHBondContact O-N 2.91Å; L210-A214 WeakPolarHBondContact O-CB 3.25Å; L210-A214 PolarHBondContact O-N 3.35Å; L210-Q227 HydrophobicContact CD1-CB 3.64Å; L210-Q227 HydrophobicContact CD1-CG 3.91Å; L210-Q227 HydrophobicContact CD2-CG 3.97Å; L210-F240 HydrophobicContact CB-CD1 3.77Å; L210-F240 HydrophobicContact CB-CD2 4.25Å; L210-F240 HydrophobicContact CB-CE1 3.76Å; L210-F240 HydrophobicContact CB-CE2 4.25Å; L210-F240 HydrophobicContact CB-CG 4.02Å; L210-F240 HydrophobicContact CB-CZ 4.01Å; L210-F240 HydrophobicContact CD1-CB 3.79Å; L210-F240 HydrophobicContact CD1-CD1 3.84Å; L210-F240 HydrophobicContact CD1-CG 3.81Å; L210-F240 HydrophobicContact CG-CD1 4.43Å
211A95.2Very high93.6Very high3 Ų335.6 Ų35.63%0.02517%0.173CC..Hα-helixtrans-67.3-39.9174.700000112.5F9 K207 Y208 I209 F215 F240F9-A211 WeakPolarHBondContact CE1-O 3.47Å; K207-A211 WeakPolarHBondContact O-CB 3.13Å; K207-A211 PolarHBondContact O-N 2.78Å; Y208-A211 WeakPolarHBondContact O-CB 3.32Å; Y208-A211 PolarHBondContact O-N 3.06Å; Y208-A211 VanDerWaalsContact O-N 3.07Å; I209-A211 VanDerWaalsContact C-N 3.32Å; I209-A211 PolarHBondContact O-N 3.04Å; A211-F215 WeakPolarHBondContact O-CB 3.38Å; A211-F215 PolarHBondContact O-N 3.13Å; A211-F240 HydrophobicContact CB-CE2 4.02Å; A211-F240 HydrophobicContact CB-CZ 3.92Å
212Q96Very high93.3Very high3 Ų339.9 Ų39.91%0.01420%0.202CC..Hα-helixtrans-62.5-50.2174-64.4-62.80.300110.9K8 A131 W150 Y208 I209 A214 F215 F216K8-Q212 PolarHBondContact O-NE2 3.04Å; A131-Q212 HydrophobicContact CB-CB 3.93Å; A131-Q212 HydrophobicContact CB-CG 3.96Å; W150-Q212 HydrophobicContact CH2-CB 4.04Å; W150-Q212 HydrophobicContact CZ2-CB 4Å; Y208-Q212 HydrophobicContact CD1-CG 4.4Å; Y208-Q212 HydrophobicContact CE1-CG 3.86Å; Y208-Q212 HydrophobicContact CE2-CG 4.07Å; Y208-Q212 VanDerWaalsContact CE2-NE2 3.28Å; Y208-Q212 VanDerWaalsContact CZ-NE2 3.27Å; Y208-Q212 PolarHBondContact O-N 2.96Å; Y208-Q212 PolarHBondContact OH-NE2 2.9Å; I209-Q212 PolarHBondContact O-N 3.02Å; Q212-A214 PolarHBondContact O-N 2.81Å; Q212-F215 PolarHBondContact O-N 3.1Å; Q212-F216 VanDerWaalsContact O-CD2 3.28Å; Q212-F216 WeakPolarHBondContact O-CD2 3.22Å; Q212-F216 PolarHBondContact O-N 3.24Å; Q212-F216 VanDerWaalsContact O-N 3.12Å
213K95.5Very high92.9Very high48 Ų4844.1 Ų44.121%0.20923%0.225CC..Hα-helixtrans-53.9-56176.5-173.7164.4-179.8155.40110.7W150 I153 I209 F215 F216 T217W150-K213 HydrophobicContact CD2-CB 4.16Å; W150-K213 HydrophobicContact CD2-CD 4.45Å; W150-K213 HydrophobicContact CD2-CG 3.99Å; W150-K213 HydrophobicContact CE3-CB 3.7Å; W150-K213 HydrophobicContact CE3-CD 3.74Å; W150-K213 HydrophobicContact CE3-CG 3.64Å; W150-K213 HydrophobicContact CH2-CB 3.87Å; W150-K213 HydrophobicContact CZ2-CB 4.31Å; W150-K213 HydrophobicContact CZ3-CB 3.55Å; W150-K213 HydrophobicContact CZ3-CD 4.2Å; W150-K213 HydrophobicContact CZ3-CG 4.03Å; W150-K213 PolarHBondContact O-NZ 3.13Å; W150-K213 VanDerWaalsContact O-NZ 3.16Å; I153-K213 PolarHBondContact O-NZ 3.4Å; I209-K213 PolarHBondContact O-N 3.08Å; K213-F215 VanDerWaalsContact C-N 3.31Å; K213-F215 PolarHBondContact O-N 2.96Å; K213-F216 PolarHBondContact O-N 2.84Å; K213-T217 HydrophobicContact CG-CG2 4.01Å; K213-T217 WeakPolarHBondContact O-CB 3.42Å; K213-T217 WeakPolarHBondContact O-CG2 3.35Å; K213-T217 PolarHBondContact O-N 2.91Å; K213-T217 PolarHBondContact O-OG1 3.3Å
214A95Very high92.7Very high6 Ų642.2 Ų42.25%0.0522%0.218CC..Hα-helixtrans-62-37.6-176.200000113.3L210 Q212 C218 V224 F242 V246L210-A214 WeakPolarHBondContact O-CB 3.25Å; L210-A214 PolarHBondContact O-N 3.35Å; Q212-A214 PolarHBondContact O-N 2.81Å; A214-C218 WeakPolarHBondContact O-CB 3.48Å; A214-C218 PolarHBondContact O-N 3.4Å; A214-V224 HydrophobicContact CB-CB 4.36Å; A214-V224 HydrophobicContact CB-CG1 3.55Å; A214-V224 HydrophobicContact CB-CG2 3.82Å; A214-F242 HydrophobicContact CB-CB 4.41Å; A214-F242 HydrophobicContact CB-CD2 3.69Å; A214-F242 HydrophobicContact CB-CE2 4.16Å; A214-F242 HydrophobicContact CB-CG 4.12Å; A214-V246 WeakPolarHBondContact O-CG1 3.25Å
215F95.2Very high92.4Very high14 Ų1445.6 Ų45.66%0.06123%0.233CC..Hα-helixtrans-63.9-44.2177.5-178.4-96.6000112.2F9 A211 Q212 K213 F242 F247 L250F9-F215 HydrophobicContact CB-CD1 3.67Å; F9-F215 HydrophobicContact CB-CE1 3.42Å; F9-F215 VanDerWaalsContact CB-CE1 3.42Å; F9-F215 HydrophobicContact CB-CE2 4.35Å; F9-F215 HydrophobicContact CB-CG 4.24Å; F9-F215 HydrophobicContact CB-CZ 3.79Å; F9-F215 HydrophobicContact CD1-CB 3.57Å; F9-F215 AromaticContact CD1-CD1 3.47Å; F9-F215 HydrophobicContact CD1-CD1 3.47Å; F9-F215 VanDerWaalsContact CD1-CD1 3.47Å; F9-F215 HydrophobicContact CD1-CD2 4.01Å; F9-F215 HydrophobicContact CD1-CE1 4.14Å; F9-F215 AromaticContact CD1-CG 3.39Å; F9-F215 HydrophobicContact CD1-CG 3.39Å; F9-F215 HydrophobicContact CD2-CD1 4.28Å; F9-F215 AromaticContact CD2-CD2 3.73Å; F9-F215 HydrophobicContact CD2-CD2 3.73Å; F9-F215 HydrophobicContact CD2-CE1 4.34Å; F9-F215 AromaticContact CD2-CE2 3.79Å; F9-F215 HydrophobicContact CD2-CE2 3.79Å; F9-F215 AromaticContact CD2-CG 3.99Å; F9-F215 HydrophobicContact CD2-CG 3.99Å; F9-F215 HydrophobicContact CD2-CZ 4.09Å; F9-F215 HydrophobicContact CE1-CB 3.32Å; F9-F215 HydrophobicContact CE1-CD1 4.15Å; F9-F215 HydrophobicContact CE1-CD2 4.08Å; F9-F215 AromaticContact CE1-CG 3.59Å; F9-F215 HydrophobicContact CE1-CG 3.59Å; F9-F215 HydrophobicContact CE2-CB 4.49Å; F9-F215 AromaticContact CE2-CD2 3.76Å; F9-F215 HydrophobicContact CE2-CD2 3.76Å; F9-F215 HydrophobicContact CE2-CE2 4.17Å; F9-F215 HydrophobicContact CE2-CG 4.13Å; F9-F215 HydrophobicContact CG-CB 4.29Å; F9-F215 AromaticContact CG-CD1 3.56Å; F9-F215 HydrophobicContact CG-CD1 3.56Å; F9-F215 AromaticContact CG-CD2 3.85Å; F9-F215 HydrophobicContact CG-CD2 3.85Å; F9-F215 AromaticContact CG-CE1 3.75Å; F9-F215 HydrophobicContact CG-CE1 3.75Å; F9-F215 HydrophobicContact CG-CE2 4.02Å; F9-F215 AromaticContact CG-CG 3.62Å; F9-F215 HydrophobicContact CG-CG 3.62Å; F9-F215 AromaticContact CG-CZ 3.96Å; F9-F215 HydrophobicContact CG-CZ 3.96Å; F9-F215 HydrophobicContact CZ-CB 3.82Å; F9-F215 AromaticContact CZ-CD2 3.93Å; F9-F215 HydrophobicContact CZ-CD2 3.93Å; F9-F215 AromaticContact CZ-CG 3.94Å; F9-F215 HydrophobicContact CZ-CG 3.94Å; A211-F215 WeakPolarHBondContact O-CB 3.38Å; A211-F215 PolarHBondContact O-N 3.13Å; Q212-F215 PolarHBondContact O-N 3.1Å; K213-F215 VanDerWaalsContact C-N 3.31Å; K213-F215 PolarHBondContact O-N 2.96Å; F215-F242 HydrophobicContact CB-CE2 4.08Å; F215-F242 HydrophobicContact CB-CZ 4.21Å; F215-F242 HydrophobicContact CD2-CZ 4.23Å; F215-F247 HydrophobicContact CD1-CB 3.96Å; F215-F247 HydrophobicContact CE1-CB 3.65Å; F215-F247 AromaticContact CE1-CD2 3.85Å; F215-F247 HydrophobicContact CE1-CD2 3.85Å; F215-F247 HydrophobicContact CE1-CG 4.02Å; F215-F247 HydrophobicContact CZ-CB 3.97Å; F215-F247 HydrophobicContact CZ-CD2 4.03Å; F215-F247 HydrophobicContact CZ-CG 4.43Å; F215-F247 WeakPolarHBondContact O-CB 3.44Å; F215-F247 PolarHBondContact O-N 3.36Å; F215-L250 HydrophobicContact CE2-CD1 3.66Å; F215-L250 HydrophobicContact CZ-CD1 3.78Å
216F95Very high91.9Very high23 Ų2349.5 Ų49.510%0.10125%0.254CS..Hα-helixtrans-88.6-26.9-175.1-68.3-66.1000114.8F9 F10 A133 Q212 K213 F247F9-F216 HydrophobicContact CB-CZ 4.19Å; F9-F216 HydrophobicContact CD1-CE2 4.38Å; F10-F216 WeakPolarHBondContact O-CZ 3.44Å; A133-F216 HydrophobicContact CB-CD1 4.07Å; A133-F216 HydrophobicContact CB-CD2 4.3Å; A133-F216 HydrophobicContact CB-CE1 3.8Å; A133-F216 HydrophobicContact CB-CE2 4.04Å; A133-F216 HydrophobicContact CB-CG 4.32Å; A133-F216 HydrophobicContact CB-CZ 3.78Å; Q212-F216 VanDerWaalsContact O-CD2 3.28Å; Q212-F216 WeakPolarHBondContact O-CD2 3.22Å; Q212-F216 PolarHBondContact O-N 3.24Å; Q212-F216 VanDerWaalsContact O-N 3.12Å; K213-F216 PolarHBondContact O-N 2.84Å; F216-F247 HydrophobicContact CD1-CB 4.3Å; F216-F247 HydrophobicContact CD1-CD1 4.05Å; F216-F247 HydrophobicContact CD1-CG 4.18Å; F216-F247 HydrophobicContact CE1-CG 4.45Å
217T93.9Very high91.4Very high62 Ų6252.1 Ų52.138%0.3827%0.267SS..Hα-helixtrans-102.3-20.3-173.170.40000115.7W150 K213W150-T217 HydrophobicContact CB-CG2 3.5Å; W150-T217 VanDerWaalsContact CB-CG2 3.5Å; W150-T217 VanDerWaalsContact CD1-CG2 3.43Å; W150-T217 HydrophobicContact CD2-CG2 4.13Å; W150-T217 HydrophobicContact CG-CG2 3.38Å; K213-T217 HydrophobicContact CG-CG2 4.01Å; K213-T217 WeakPolarHBondContact O-CB 3.42Å; K213-T217 WeakPolarHBondContact O-CG2 3.35Å; K213-T217 PolarHBondContact O-N 2.91Å; K213-T217 PolarHBondContact O-OG1 3.3Å
218C92.5Very high90.7Very high30 Ų3050.5 Ų50.520%0.20326%0.264CS..  trans-91.3146.7-176.4-65.20000111.5A214 V224 V246A214-C218 WeakPolarHBondContact O-CB 3.48Å; A214-C218 PolarHBondContact O-N 3.4Å; C218-V224 HydrophobicContact CB-CG2 3.95Å; C218-V246 HydrophobicContact CB-CG1 4.21Å; C218-V246 VanDerWaalsContact O-CG2 3.24Å; C218-V246 WeakPolarHBondContact O-CG2 3.35Å
219E90.1Very high89.9Confident145 Ų14549.2 Ų49.268%0.67826%0.26SS*.SBendtrans-74.8-37176.6-64.4-173.7174.300112.3V246E219-V246 WeakPolarHBondContact O-CG2 3.35Å
220K88.9Confident88.6Confident102 Ų10253.6 Ų53.644%0.44328%0.279SS..  trans-136.2150.5178.9-60.4172.9-168.1152.70112.6T222 D223 E249K220-T222 VanDerWaalsContact C-N 3.26Å; K220-T222 PolarHBondContact O-N 2.8Å; K220-D223 HydrophobicContact CB-CB 4.4Å; K220-D223 PolarHBondContact O-N 3.16Å; K220-E249 VanDerWaalsContact CA-OE1 3.24Å; K220-E249 WeakPolarHBondContact CA-OE1 3.46Å; K220-E249 HydrophobicContact CB-CG 4.44Å; K220-E249 VanDerWaalsContact CB-OE1 3.31Å; K220-E249 WeakPolarHBondContact CB-OE1 3.42Å; K220-E249 HydrophobicContact CG-CG 4.37Å
221G86.9Confident86.9Confident18 Ų1861.7 Ų61.719%0.18631%0.309CS..G310 helixtrans-67.5-26.1175.800000113.4D223 E249G221-D223 VanDerWaalsContact C-N 3.29Å; G221-D223 PolarHBondContact O-N 2.82Å; G221-E249 PolarHBondContact N-OE1 3.47Å; G221-E249 PolarHBondContact N-OE2 3.05Å; G221-E249 VanDerWaalsContact N-OE2 3.11Å
222T86.4Confident85.1Confident116 Ų11665.1 Ų65.171%0.71233%0.325SS*.G310 helixtrans-67.2-29.3173.648.80000113.3K220 V224K220-T222 VanDerWaalsContact C-N 3.26Å; K220-T222 PolarHBondContact O-N 2.8Å; T222-V224 VanDerWaalsContact C-N 3.32Å
223D86.6Confident83.1Confident90 Ų9071.5 Ų71.548%0.48136%0.358SS..G310 helixtrans-91-4.9-168.1-55.4-2.8000111K220 G221 H225K220-D223 HydrophobicContact CB-CB 4.4Å; K220-D223 PolarHBondContact O-N 3.16Å; G221-D223 VanDerWaalsContact C-N 3.29Å; G221-D223 PolarHBondContact O-N 2.82Å; D223-H225 PolarHBondContact O-N 3.4Å
224V87.7Confident81.3Confident20 Ų2075 Ų7512%0.12137%0.374CS..  trans-69.997.8175.8-1750000110.5A214 C218 T222 N226 F242 V246A214-V224 HydrophobicContact CB-CB 4.36Å; A214-V224 HydrophobicContact CB-CG1 3.55Å; A214-V224 HydrophobicContact CB-CG2 3.82Å; C218-V224 HydrophobicContact CB-CG2 3.95Å; T222-V224 VanDerWaalsContact C-N 3.32Å; V224-N226 PolarHBondContact O-N 2.85Å; V224-F242 HydrophobicContact CB-CB 3.89Å; V224-F242 HydrophobicContact CB-CG 4.47Å; V224-F242 HydrophobicContact CG1-CB 3.57Å; V224-F242 HydrophobicContact CG1-CG 4.33Å; V224-F242 HydrophobicContact CG2-CB 4.12Å; V224-F242 HydrophobicContact CG2-CD1 4.05Å; V224-F242 HydrophobicContact CG2-CG 4.15Å; V224-V246 HydrophobicContact CG2-CG1 4.15Å
225H86Confident79.8Confident142 Ų14280.1 Ų80.166%0.65740%0.399SS*.  trans-58.1129.2177.3-173.381.5000112.5D223 Q227D223-H225 PolarHBondContact O-N 3.4Å; H225-Q227 PolarHBondContact O-N 3.16Å; H225-Q227 VanDerWaalsContact O-N 3.08Å; H225-Q227 PolarHBondContact O-NE2 2.98Å
226N84.7Confident78.4Confident82 Ų8287.9 Ų87.944%0.43943%0.428SS..  trans-54.5112.7176.1-72.9-45.6000110.9V224 F240 R241V224-N226 PolarHBondContact O-N 2.85Å; N226-F240 CarbonylContact C-O 3.54Å; N226-F240 WeakPolarHBondContact CA-O 3.39Å; N226-R241 VanDerWaalsContact OD1-CB 3.3Å; N226-R241 WeakPolarHBondContact OD1-CB 3.1Å; N226-R241 WeakPolarHBondContact OD1-CG 3.4Å
227Q83.2Confident77.3Confident56 Ų5691.6 Ų91.626%0.26244%0.444SS..EExtended strand (participates in β ladder)trans-82.9139.3179.8-61.9-59.9-51.200110.4W206 L210 H225 T239 F240W206-Q227 HydrophobicContact CH2-CB 4.43Å; W206-Q227 HydrophobicContact CZ2-CB 4.07Å; L210-Q227 HydrophobicContact CD1-CB 3.64Å; L210-Q227 HydrophobicContact CD1-CG 3.91Å; L210-Q227 HydrophobicContact CD2-CG 3.97Å; H225-Q227 PolarHBondContact O-N 3.16Å; H225-Q227 VanDerWaalsContact O-N 3.08Å; H225-Q227 PolarHBondContact O-NE2 2.98Å; Q227-T239 CarbonylContact O-C 3.55Å; Q227-T239 WeakPolarHBondContact O-CA 3.3Å; Q227-F240 HydrophobicContact CB-CB 4.28Å; Q227-F240 HydrophobicContact CB-CD1 4.38Å; Q227-F240 HydrophobicContact CG-CD1 4.42Å; Q227-F240 PolarHBondContact N-O 3.24Å; Q227-F240 PolarHBondContact O-N 3.2Å
228V80.5Confident76.5Confident53 Ų5389.3 Ų89.332%0.32143%0.431SS..EExtended strand (participates in β ladder)trans-126.1122.9-178.7-172.60000108.3K237 T239V228-K237 HydrophobicContact CG1-CB 3.91Å; V228-K237 HydrophobicContact CG1-CD 3.68Å; V228-K237 HydrophobicContact CG1-CG 4.04Å; V228-T239 HydrophobicContact CG2-CG2 4.37Å
229S77.9Confident76.1Confident9 Ų992.1 Ų92.16%0.06345%0.447CS..PPolyproline II helixtrans-64.6158.7176.775.80000110.8D157 R231 S238D157-S229 WeakPolarHBondContact OD1-CA 3.32Å; S229-R231 PolarHBondContact O-N 2.66Å; S229-S238 PolarHBondContact N-O 2.92Å; S229-S238 PolarHBondContact OG-N 3.22Å
230K68.6Low75.9Confident91 Ų9186 Ų8640%0.39642%0.418SS..PPolyproline II helixtrans-55.5142.3164.5-83.7166.7-173.6-177.10110.2D157 L159 Y166 Q232D157-K230 PolarHBondContact OD1-N 3.09Å; D157-K230 VanDerWaalsContact OD2-CD 3.27Å; D157-K230 WeakPolarHBondContact OD2-CD 3.32Å; D157-K230 VanDerWaalsContact OD2-CE 3.27Å; D157-K230 WeakPolarHBondContact OD2-CE 3.29Å; D157-K230 VanDerWaalsContact OD2-CG 3.26Å; D157-K230 WeakPolarHBondContact OD2-CG 3.43Å; L159-K230 HydrophobicContact CD1-CB 4.37Å; Y166-K230 PolarHBondContact OH-NZ 2.97Å; K230-Q232 PolarHBondContact O-N 2.89Å
231R58.9Low75.9Confident182 Ų18290.5 Ų90.569%0.68743%0.433SS*.PPolyproline II helixtrans-65.4123.9172.5-85.3-177.5173.4161.9-1.7108.2S229 K237S229-R231 PolarHBondContact O-N 2.66Å; R231-K237 HydrophobicContact CG-CD 4.19Å; R231-K237 HydrophobicContact CG-CG 3.59Å
232Q57Low76.1Confident76 Ų7690.4 Ų90.436%0.35543%0.427SS..PPolyproline II helixtrans-70.3142.9144.4-70.9-68.914.200107.8L159 K230 F234 L235L159-Q232 VanDerWaalsContact C-NE2 3.26Å; L159-Q232 HydrophobicContact CD1-CG 4.11Å; K230-Q232 PolarHBondContact O-N 2.89Å; Q232-F234 PolarHBondContact O-N 3.18Å; Q232-L235 HydrophobicContact CB-CB 4.2Å; Q232-L235 HydrophobicContact CB-CD1 4.2Å; Q232-L235 PolarHBondContact O-N 3.49Å
233L54.4Low76.1Confident137 Ų13790.3 Ų90.372%0.71743%0.431SS*.THydrogen-bonded Turntrans-59.2131.1174-68.5168.3000108.3L235L233-L235 VanDerWaalsContact C-N 3.3Å; L233-L235 PolarHBondContact O-N 3.48Å
234F58.5Low76.1Confident122 Ų12288.6 Ų88.654%0.53544%0.435SS..THydrogen-bonded Turntrans65.417.5177.6-35.6-60.5000116.8Q232 F469 Y473Q232-F234 PolarHBondContact O-N 3.18Å; F234-F469 HydrophobicContact CB-CE1 4.41Å; F234-F469 HydrophobicContact CB-CZ 4.11Å; F234-F469 HydrophobicContact CD1-CD1 4.2Å; F234-F469 AromaticContact CD1-CE1 3.12Å; F234-F469 HydrophobicContact CD1-CE1 3.12Å; F234-F469 HydrophobicContact CD1-CE2 4.38Å; F234-F469 AromaticContact CD1-CZ 3.26Å; F234-F469 HydrophobicContact CD1-CZ 3.26Å; F234-F469 HydrophobicContact CD2-CE1 4.26Å; F234-F469 HydrophobicContact CD2-CE2 4.17Å; F234-F469 AromaticContact CD2-CZ 3.49Å; F234-F469 HydrophobicContact CD2-CZ 3.49Å; F234-F469 VanDerWaalsContact CD2-CZ 3.49Å; F234-F469 AromaticContact CE1-CD1 3.92Å; F234-F469 HydrophobicContact CE1-CD1 3.92Å; F234-F469 AromaticContact CE1-CE1 3.21Å; F234-F469 HydrophobicContact CE1-CE1 3.21Å; F234-F469 HydrophobicContact CE1-CE2 4.11Å; F234-F469 AromaticContact CE1-CZ 3.34Å; F234-F469 HydrophobicContact CE1-CZ 3.34Å; F234-F469 HydrophobicContact CE2-CE1 4.32Å; F234-F469 AromaticContact CE2-CE2 3.88Å; F234-F469 HydrophobicContact CE2-CE2 3.88Å; F234-F469 AromaticContact CE2-CZ 3.56Å; F234-F469 HydrophobicContact CE2-CZ 3.56Å; F234-F469 AromaticContact CG-CE1 3.68Å; F234-F469 HydrophobicContact CG-CE1 3.68Å; F234-F469 HydrophobicContact CG-CE2 4.39Å; F234-F469 AromaticContact CG-CZ 3.31Å; F234-F469 HydrophobicContact CG-CZ 3.31Å; F234-F469 HydrophobicContact CZ-CD1 4.49Å; F234-F469 AromaticContact CZ-CE1 3.83Å; F234-F469 HydrophobicContact CZ-CE1 3.83Å; F234-F469 AromaticContact CZ-CE2 3.84Å; F234-F469 HydrophobicContact CZ-CE2 3.84Å; F234-F469 AromaticContact CZ-CZ 3.48Å; F234-F469 HydrophobicContact CZ-CZ 3.48Å; F234-F469 VanDerWaalsContact CZ-CZ 3.48Å; F234-Y473 HydrophobicContact CB-CD2 4.24Å; F234-Y473 HydrophobicContact CB-CE2 4.37Å; F234-Y473 VanDerWaalsContact O-CE2 3.29Å; F234-Y473 WeakPolarHBondContact O-CE2 3.38Å
235L62.6Low76.2Confident112 Ų11293 Ų9359%0.58645%0.45SS*.SBendtrans-116.3147167.8-78.581.2000111.9Q232 L233 K237Q232-L235 HydrophobicContact CB-CB 4.2Å; Q232-L235 HydrophobicContact CB-CD1 4.2Å; Q232-L235 PolarHBondContact O-N 3.49Å; L233-L235 VanDerWaalsContact C-N 3.3Å; L233-L235 PolarHBondContact O-N 3.48Å; L235-K237 PolarHBondContact O-N 3.22Å
236R66.7Low76.6Confident177 Ų17786.2 Ų86.267%0.66842%0.418SS*.PPolyproline II helixtrans-58.4130.9172.2-170.8170.7-179.4160.31.5109.2S238 D481R236-S238 PolarHBondContact O-N 3.35Å; R236-D481 IonicContact CZ-OD2 3.78Å; R236-D481 IonicContact NH1-OD2 3.82Å; R236-D481 PolarHBondContact NH1-OD2 3.08Å
237K70.5Confident76.9Confident101 Ų10183.5 Ų83.544%0.43940%0.403SS..PPolyproline II helixtrans-56.4126.9177.1-79.6171.8151.7-171.40109.8V228 R231 L235 T239V228-K237 HydrophobicContact CG1-CB 3.91Å; V228-K237 HydrophobicContact CG1-CD 3.68Å; V228-K237 HydrophobicContact CG1-CG 4.04Å; R231-K237 HydrophobicContact CG-CD 4.19Å; R231-K237 HydrophobicContact CG-CG 3.59Å; L235-K237 PolarHBondContact O-N 3.22Å; K237-T239 PolarHBondContact O-N 3.3Å
238S77Confident77.3Confident15 Ų1585.1 Ų85.111%0.10541%0.41CS..PPolyproline II helixtrans-72.5127.5168.1-86.60000109.7Y158 K203 S229 R236Y158-S238 VanDerWaalsContact OH-CB 3.31Å; Y158-S238 WeakPolarHBondContact OH-CB 3.18Å; Y158-S238 PolarHBondContact OH-OG 2.72Å; K203-S238 WeakPolarHBondContact CE-OG 3.28Å; S229-S238 PolarHBondContact N-O 2.92Å; S229-S238 PolarHBondContact OG-N 3.22Å; R236-S238 PolarHBondContact O-N 3.35Å
239T84.5Confident77.7Confident88 Ų8883.7 Ų83.754%0.5440%0.4SS..EExtended strand (participates in β ladder)trans-108.2143.3173.656.60000110.1Q227 V228 K237Q227-T239 CarbonylContact O-C 3.55Å; Q227-T239 WeakPolarHBondContact O-CA 3.3Å; V228-T239 HydrophobicContact CG2-CG2 4.37Å; K237-T239 PolarHBondContact O-N 3.3Å
240F86.9Confident78.1Confident17 Ų1787.1 Ų87.18%0.07542%0.417CS..EExtended strand (participates in β ladder)trans-117.7123.9166.3169.3-92.9000108.3W206 K207 L210 A211 N226 Q227 F242W206-F240 HydrophobicContact CH2-CB 3.81Å; W206-F240 HydrophobicContact CZ3-CB 3.82Å; K207-F240 HydrophobicContact CB-CD2 4.1Å; K207-F240 HydrophobicContact CG-CD2 4.06Å; K207-F240 WeakPolarHBondContact O-CE2 3.33Å; L210-F240 HydrophobicContact CB-CD1 3.77Å; L210-F240 HydrophobicContact CB-CD2 4.25Å; L210-F240 HydrophobicContact CB-CE1 3.76Å; L210-F240 HydrophobicContact CB-CE2 4.25Å; L210-F240 HydrophobicContact CB-CG 4.02Å; L210-F240 HydrophobicContact CB-CZ 4.01Å; L210-F240 HydrophobicContact CD1-CB 3.79Å; L210-F240 HydrophobicContact CD1-CD1 3.84Å; L210-F240 HydrophobicContact CD1-CG 3.81Å; L210-F240 HydrophobicContact CG-CD1 4.43Å; A211-F240 HydrophobicContact CB-CE2 4.02Å; A211-F240 HydrophobicContact CB-CZ 3.92Å; N226-F240 CarbonylContact C-O 3.54Å; N226-F240 WeakPolarHBondContact CA-O 3.39Å; Q227-F240 HydrophobicContact CB-CB 4.28Å; Q227-F240 HydrophobicContact CB-CD1 4.38Å; Q227-F240 HydrophobicContact CG-CD1 4.42Å; Q227-F240 PolarHBondContact N-O 3.24Å; Q227-F240 PolarHBondContact O-N 3.2Å; F240-F242 HydrophobicContact CE1-CB 4.08Å; F240-F242 HydrophobicContact CZ-CB 4.14Å; F240-F242 HydrophobicContact CZ-CD2 4.21Å
241R89.4Confident78.7Confident197 Ų19787.7 Ų87.774%0.74342%0.419SS*.  trans-118.7125.9171176.1169.5177.3172.51.7107.2N226N226-R241 VanDerWaalsContact OD1-CB 3.3Å; N226-R241 WeakPolarHBondContact OD1-CB 3.1Å; N226-R241 WeakPolarHBondContact OD1-CG 3.4Å
242F89.2Confident79.6Confident15 Ų1581.1 Ų81.17%0.06640%0.398CS..  trans-72.4152.1171.4-173.7-94.4000110.1F9 A214 F215 V224 F240 G244 V246F9-F242 HydrophobicContact CZ-CE2 4.25Å; A214-F242 HydrophobicContact CB-CB 4.41Å; A214-F242 HydrophobicContact CB-CD2 3.69Å; A214-F242 HydrophobicContact CB-CE2 4.16Å; A214-F242 HydrophobicContact CB-CG 4.12Å; F215-F242 HydrophobicContact CB-CE2 4.08Å; F215-F242 HydrophobicContact CB-CZ 4.21Å; F215-F242 HydrophobicContact CD2-CZ 4.23Å; V224-F242 HydrophobicContact CB-CB 3.89Å; V224-F242 HydrophobicContact CB-CG 4.47Å; V224-F242 HydrophobicContact CG1-CB 3.57Å; V224-F242 HydrophobicContact CG1-CG 4.33Å; V224-F242 HydrophobicContact CG2-CB 4.12Å; V224-F242 HydrophobicContact CG2-CD1 4.05Å; V224-F242 HydrophobicContact CG2-CG 4.15Å; F240-F242 HydrophobicContact CE1-CB 4.08Å; F240-F242 HydrophobicContact CZ-CB 4.14Å; F240-F242 HydrophobicContact CZ-CD2 4.21Å; F242-G244 WeakPolarHBondContact CE1-O 3.43Å; F242-V246 HydrophobicContact CD1-CG1 4.23Å; F242-V246 HydrophobicContact CE1-CG1 3.56Å; F242-V246 HydrophobicContact CZ-CG1 3.89Å
243S87.4Confident79.8Confident114 Ų11481.7 Ų81.780%0.79741%0.411SS*.  trans-146.5136.4-178.5-174.60000109.5
244G87.4Confident80.1Confident55 Ų5584.7 Ų84.757%0.56741%0.412SS*.SBendtrans97.8-171-171.600000112.9F242F242-G244 WeakPolarHBondContact CE1-O 3.43Å
245R89.4Confident80.2Confident112 Ų11282.8 Ų82.842%0.42340%0.404SS..  trans-86.9148.5178.2-70.2177.8-73.21801.6111.4E249 L250 F255R245-E249 WeakPolarHBondContact CA-OE2 3.35Å; R245-E249 HydrophobicContact CB-CB 4.17Å; R245-E249 WeakPolarHBondContact CB-OE2 3.33Å; R245-E249 HydrophobicContact CG-CB 4.42Å; R245-L250 HydrophobicContact CB-CD2 3.93Å; R245-L250 HydrophobicContact CB-CG 4.1Å; R245-F255 PolarHBondContact NH1-O 3.44Å
246V93.3Very high80.1Confident0 Ų082.2 Ų82.20%041%0.405CS..  trans-89.2169171.4-60.90000111.1A214 C218 E219 V224 F242 Q248 E249 L250A214-V246 WeakPolarHBondContact O-CG1 3.25Å; C218-V246 HydrophobicContact CB-CG1 4.21Å; C218-V246 VanDerWaalsContact O-CG2 3.24Å; C218-V246 WeakPolarHBondContact O-CG2 3.35Å; E219-V246 WeakPolarHBondContact O-CG2 3.35Å; V224-V246 HydrophobicContact CG2-CG1 4.15Å; F242-V246 HydrophobicContact CD1-CG1 4.23Å; F242-V246 HydrophobicContact CE1-CG1 3.56Å; F242-V246 HydrophobicContact CZ-CG1 3.89Å; V246-Q248 VanDerWaalsContact C-N 3.3Å; V246-Q248 PolarHBondContact O-N 3Å; V246-E249 HydrophobicContact CG2-CB 4.33Å; V246-E249 HydrophobicContact CG2-CG 3.9Å; V246-E249 PolarHBondContact N-OE2 3.11Å; V246-E249 PolarHBondContact O-N 3.12Å; V246-L250 WeakPolarHBondContact O-CG 3.38Å; V246-L250 PolarHBondContact O-N 3.24Å; V246-L250 VanDerWaalsContact O-N 3.15Å
247F92.5Very high79.9Confident25 Ų2577.6 Ų77.611%0.1140%0.396CS..Hα-helixtrans-60.1-37.2-173.6-172.5-133.5000113.3P11 V16 F215 F216 L250 K251P11-F247 HydrophobicContact CB-CE2 3.7Å; P11-F247 HydrophobicContact CB-CZ 3.67Å; V16-F247 HydrophobicContact CG1-CE2 4.32Å; V16-F247 HydrophobicContact CG1-CZ 4.15Å; V16-F247 HydrophobicContact CG2-CE2 4.14Å; F215-F247 HydrophobicContact CD1-CB 3.96Å; F215-F247 HydrophobicContact CE1-CB 3.65Å; F215-F247 AromaticContact CE1-CD2 3.85Å; F215-F247 HydrophobicContact CE1-CD2 3.85Å; F215-F247 HydrophobicContact CE1-CG 4.02Å; F215-F247 HydrophobicContact CZ-CB 3.97Å; F215-F247 HydrophobicContact CZ-CD2 4.03Å; F215-F247 HydrophobicContact CZ-CG 4.43Å; F215-F247 WeakPolarHBondContact O-CB 3.44Å; F215-F247 PolarHBondContact O-N 3.36Å; F216-F247 HydrophobicContact CD1-CB 4.3Å; F216-F247 HydrophobicContact CD1-CD1 4.05Å; F216-F247 HydrophobicContact CD1-CG 4.18Å; F216-F247 HydrophobicContact CE1-CG 4.45Å; F247-L250 PolarHBondContact O-N 3.05Å; F247-K251 HydrophobicContact CE1-CD 4.49Å; F247-K251 VanDerWaalsContact CE1-CE 3.41Å; F247-K251 VanDerWaalsContact CZ-CE 3.42Å; F247-K251 PolarHBondContact O-N 3.49Å
248Q90Very high79.6Confident89 Ų8978 Ų7842%0.41641%0.409SS..Hα-helixtrans-69.6-41.1179.3-57.2-63.12.400112.2V246 L250 K251 D252V246-Q248 VanDerWaalsContact C-N 3.3Å; V246-Q248 PolarHBondContact O-N 3Å; Q248-L250 PolarHBondContact O-N 3.19Å; Q248-K251 PolarHBondContact O-N 2.89Å; Q248-K251 VanDerWaalsContact O-N 3.08Å; Q248-D252 PolarHBondContact O-N 3.22Å
249E89.1Confident79.1Confident24 Ų2486.2 Ų86.211%0.11245%0.45CS..Hα-helixtrans-60.1-32171-69.2170.8150.800112.2K220 G221 R245 V246 K251 F255K220-E249 VanDerWaalsContact CA-OE1 3.24Å; K220-E249 WeakPolarHBondContact CA-OE1 3.46Å; K220-E249 HydrophobicContact CB-CG 4.44Å; K220-E249 VanDerWaalsContact CB-OE1 3.31Å; K220-E249 WeakPolarHBondContact CB-OE1 3.42Å; K220-E249 HydrophobicContact CG-CG 4.37Å; G221-E249 PolarHBondContact N-OE1 3.47Å; G221-E249 PolarHBondContact N-OE2 3.05Å; G221-E249 VanDerWaalsContact N-OE2 3.11Å; R245-E249 WeakPolarHBondContact CA-OE2 3.35Å; R245-E249 HydrophobicContact CB-CB 4.17Å; R245-E249 WeakPolarHBondContact CB-OE2 3.33Å; R245-E249 HydrophobicContact CG-CB 4.42Å; V246-E249 HydrophobicContact CG2-CB 4.33Å; V246-E249 HydrophobicContact CG2-CG 3.9Å; V246-E249 PolarHBondContact N-OE2 3.11Å; V246-E249 PolarHBondContact O-N 3.12Å; E249-K251 VanDerWaalsContact C-N 3.33Å; E249-F255 HydrophobicContact CB-CD2 4.34Å; E249-F255 HydrophobicContact CB-CE2 4.34Å; E249-F255 HydrophobicContact CG-CE2 4.48Å; E249-F255 VanDerWaalsContact O-CB 3.25Å; E249-F255 WeakPolarHBondContact O-CB 3.31Å; E249-F255 WeakPolarHBondContact O-CD2 3.21Å; E249-F255 WeakPolarHBondContact O-CG 3.44Å
250L85.9Confident78.8Confident80 Ų8087.8 Ų87.842%0.41945%0.446SS..Hα-helixtrans-77.2-17.2177.1-65.6175.4000113.7F215 R245 V246 F247 Q248F215-L250 HydrophobicContact CE2-CD1 3.66Å; F215-L250 HydrophobicContact CZ-CD1 3.78Å; R245-L250 HydrophobicContact CB-CD2 3.93Å; R245-L250 HydrophobicContact CB-CG 4.1Å; V246-L250 WeakPolarHBondContact O-CG 3.38Å; V246-L250 PolarHBondContact O-N 3.24Å; V246-L250 VanDerWaalsContact O-N 3.15Å; F247-L250 PolarHBondContact O-N 3.05Å; Q248-L250 PolarHBondContact O-N 3.19Å
251K82.5Confident78.4Confident103 Ų10394 Ų9445%0.44848%0.48SS..Hα-helixtrans-84.4-29.9172.9-74.5-176.1171.8-172.30113.1V16 F247 Q248 E249 S253V16-K251 HydrophobicContact CG1-CG 4.49Å; F247-K251 HydrophobicContact CE1-CD 4.49Å; F247-K251 VanDerWaalsContact CE1-CE 3.41Å; F247-K251 VanDerWaalsContact CZ-CE 3.42Å; F247-K251 PolarHBondContact O-N 3.49Å; Q248-K251 PolarHBondContact O-N 2.89Å; Q248-K251 VanDerWaalsContact O-N 3.08Å; E249-K251 VanDerWaalsContact C-N 3.33Å; K251-S253 PolarHBondContact O-N 3.43Å
252D77.4Confident77.8Confident44 Ų4489.2 Ų89.224%0.23548%0.475CS..SBendtrans-66.6125.9-179.1175.6-10.5000110.8Q248 R254 F255Q248-D252 PolarHBondContact O-N 3.22Å; D252-R254 PolarHBondContact O-N 3.14Å; D252-R254 VanDerWaalsContact O-N 3.09Å; D252-R254 WeakPolarHBondContact OD1-CB 3.43Å; D252-R254 VanDerWaalsContact OD1-CG 3.3Å; D252-R254 WeakPolarHBondContact OD1-CG 3.2Å; D252-R254 PolarHBondContact OD1-N 2.88Å; D252-R254 IonicContact OD1-NE 3.77Å; D252-R254 PolarHBondContact OD1-NE 3.46Å; D252-R254 IonicContact OD2-CZ 2.76Å; D252-R254 IonicContact OD2-NE 2.76Å; D252-R254 PolarHBondContact OD2-NE 3.46Å; D252-R254 IonicContact OD2-NH2 3.22Å; D252-R254 PolarHBondContact OD2-NH2 3.08Å; D252-F255 HydrophobicContact CB-CD2 3.97Å; D252-F255 HydrophobicContact CB-CE2 4.48Å; D252-F255 PolarHBondContact O-N 2.94Å
253S62.2Low77.4Confident89 Ų8990.5 Ų90.562%0.62248%0.484SS*.G310 helixtrans-58.9-25.9-174.757.80000112.9K251 F255 T256K251-S253 PolarHBondContact O-N 3.43Å; S253-F255 PolarHBondContact O-N 3.38Å; S253-F255 VanDerWaalsContact O-N 3.16Å; S253-T256 WeakPolarHBondContact O-CB 3.4Å; S253-T256 PolarHBondContact O-N 2.75Å; S253-T256 VanDerWaalsContact O-N 3.1Å; S253-T256 PolarHBondContact O-OG1 3.29Å
254R60Low77Confident199 Ų19992 Ų9275%0.75149%0.489SS*.G310 helixtrans-63.1-18.7176-61.9-179.6-66.8177.8-0.9113.7D252D252-R254 PolarHBondContact O-N 3.14Å; D252-R254 VanDerWaalsContact O-N 3.09Å; D252-R254 WeakPolarHBondContact OD1-CB 3.43Å; D252-R254 VanDerWaalsContact OD1-CG 3.3Å; D252-R254 WeakPolarHBondContact OD1-CG 3.2Å; D252-R254 PolarHBondContact OD1-N 2.88Å; D252-R254 IonicContact OD1-NE 3.77Å; D252-R254 PolarHBondContact OD1-NE 3.46Å; D252-R254 IonicContact OD2-CZ 2.76Å; D252-R254 IonicContact OD2-NE 2.76Å; D252-R254 PolarHBondContact OD2-NE 3.46Å; D252-R254 IonicContact OD2-NH2 3.22Å; D252-R254 PolarHBondContact OD2-NH2 3.08Å
255F60.5Low76.9Confident83 Ų8391.6 Ų91.636%0.36447%0.472SS..G310 helixtrans-108.96.3179-64.6-73.2000113.4R245 E249 D252 S253 V257R245-F255 PolarHBondContact NH1-O 3.44Å; E249-F255 HydrophobicContact CB-CD2 4.34Å; E249-F255 HydrophobicContact CB-CE2 4.34Å; E249-F255 HydrophobicContact CG-CE2 4.48Å; E249-F255 VanDerWaalsContact O-CB 3.25Å; E249-F255 WeakPolarHBondContact O-CB 3.31Å; E249-F255 WeakPolarHBondContact O-CD2 3.21Å; E249-F255 WeakPolarHBondContact O-CG 3.44Å; D252-F255 HydrophobicContact CB-CD2 3.97Å; D252-F255 HydrophobicContact CB-CE2 4.48Å; D252-F255 PolarHBondContact O-N 2.94Å; S253-F255 PolarHBondContact O-N 3.38Å; S253-F255 VanDerWaalsContact O-N 3.16Å; F255-V257 PolarHBondContact O-N 2.99Å
256T60.6Low76.3Confident99 Ų9994.9 Ų94.961%0.60749%0.492SS*.SBendtrans-56.4139.6165.7540000108.8S253S253-T256 WeakPolarHBondContact O-CB 3.4Å; S253-T256 PolarHBondContact O-N 2.75Å; S253-T256 VanDerWaalsContact O-N 3.1Å; S253-T256 PolarHBondContact O-OG1 3.29Å
257V61.8Low75.6Confident80 Ų8097.1 Ų97.149%0.48550%0.5SS..PPolyproline II helixtrans-57.2133.6175.1-177.70000106.9F255 I259 R260F255-V257 PolarHBondContact O-N 2.99Å; V257-I259 PolarHBondContact O-N 3.4Å; V257-R260 HydrophobicContact CG1-CG 4.26Å
258P65.3Low74.4Confident109 Ų109100.1 Ų100.171%0.70852%0.523SS*.PPolyproline II helixtrans-47.5139.8175.6-28.234.7000110.2R260P258-R260 PolarHBondContact O-N 2.88Å
259I66.6Low72.9Confident188 Ų188102.7 Ų102.796%0.96454%0.535SS*.SBendtrans-51.6109-174.8-60.8173.1000108.3V257V257-I259 PolarHBondContact O-N 3.4Å
260R78.4Confident71.4Confident122 Ų122101.9 Ų101.946%0.4653%0.531SS..  trans-127.3151.1179.967.8175.2-170.4118.6-2.2107E19 V257 P258E19-R260 IonicContact OE1-CZ 3.7Å; E19-R260 IonicContact OE1-NE 3.18Å; E19-R260 PolarHBondContact OE1-NE 3.48Å; E19-R260 IonicContact OE1-NH2 2.89Å; E19-R260 PolarHBondContact OE1-NH2 3.26Å; E19-R260 IonicContact OE2-NH2 2.66Å; E19-R260 PolarHBondContact OE2-NH2 3.04Å; V257-R260 HydrophobicContact CG1-CG 4.26Å; P258-R260 PolarHBondContact O-N 2.88Å
261D77.5Confident69.7Low146 Ų146103.9 Ų103.978%0.78154%0.541SS*.PPolyproline II helixtrans-60.8138170.1-60-52.7000109.7
262P77.7Confident68.1Low98 Ų98103.8 Ų103.864%0.63655%0.554SS**PPolyproline II helixtrans-61.4141178.226.1-33.7000109.5T264P262-T264 PolarHBondContact O-N 2.82Å
263P80.4Confident66.5Low41 Ų41104.1 Ų104.127%0.26656%0.563SS.*PPolyproline II helixtrans-65.8123.4-177.427.5-33.2000110.1Y21 F265Y21-P263 HydrophobicContact CD1-CG 3.92Å; Y21-P263 HydrophobicContact CG-CG 4.19Å; P263-F265 PolarHBondContact O-N 3.47Å
264T79.4Confident65.6Low145 Ų145103.1 Ų103.189%0.8956%0.556SS**PPolyproline II helixtrans-63.7124.3167.753.20000109.2P262P262-T264 PolarHBondContact O-N 2.82Å
265F84.2Confident64.8Low48 Ų4898.5 Ų98.521%0.21155%0.552CS.*  trans-134.3146.4178.573.2-80.7000111.1E20 Y21 Y24 P263 R267E20-F265 HydrophobicContact CG-CE1 4.28Å; E20-F265 HydrophobicContact CG-CZ 4.21Å; Y21-F265 HydrophobicContact CD2-CB 3.6Å; Y21-F265 AromaticContact CD2-CD1 3.57Å; Y21-F265 HydrophobicContact CD2-CD1 3.57Å; Y21-F265 AromaticContact CD2-CD2 3.55Å; Y21-F265 HydrophobicContact CD2-CD2 3.55Å; Y21-F265 HydrophobicContact CD2-CE1 4.07Å; Y21-F265 HydrophobicContact CD2-CE2 4.03Å; Y21-F265 AromaticContact CD2-CG 3.28Å; Y21-F265 HydrophobicContact CD2-CG 3.28Å; Y21-F265 HydrophobicContact CD2-CZ 4.27Å; Y21-F265 HydrophobicContact CE2-CB 3.74Å; Y21-F265 AromaticContact CE2-CD2 3.97Å; Y21-F265 HydrophobicContact CE2-CD2 3.97Å; Y21-F265 AromaticContact CE2-CG 3.85Å; Y21-F265 HydrophobicContact CE2-CG 3.85Å; Y21-F265 HydrophobicContact CG-CB 4.41Å; Y21-F265 AromaticContact CG-CD1 4Å; Y21-F265 HydrophobicContact CG-CD1 4Å; Y21-F265 HydrophobicContact CG-CE1 4.43Å; Y21-F265 HydrophobicContact CG-CG 4.14Å; Y24-F265 AromaticContact CD1-CD2 3.9Å; Y24-F265 HydrophobicContact CD1-CD2 3.9Å; Y24-F265 AromaticContact CD1-CE2 3.54Å; Y24-F265 HydrophobicContact CD1-CE2 3.54Å; Y24-F265 HydrophobicContact CD1-CZ 4.47Å; Y24-F265 HydrophobicContact CD2-CE2 4.06Å; Y24-F265 HydrophobicContact CE1-CD2 4.23Å; Y24-F265 HydrophobicContact CE1-CE2 4.14Å; Y24-F265 HydrophobicContact CG-CD2 4.33Å; Y24-F265 AromaticContact CG-CE2 3.5Å; Y24-F265 HydrophobicContact CG-CE2 3.5Å; Y24-F265 HydrophobicContact CG-CZ 4.15Å; P263-F265 PolarHBondContact O-N 3.47Å; F265-R267 HydrophobicContact CD2-CG 4.29Å; F265-R267 HydrophobicContact CE2-CG 3.69Å; F265-R267 HydrophobicContact CZ-CG 4.48Å
266H77.4Confident64.3Low181 Ų181104.4 Ų104.484%0.83857%0.571SS**PPolyproline II helixtrans-94.6132170.9-61-64.5000109.5
267R79.2Confident63.7Low47 Ų47102.8 Ų102.818%0.17756%0.559CS.*PPolyproline II helixtrans-76121.7176.2-69.1168.4173.4-88.9-9.1108.7E20 Y24 P100 D104 F265 H269E20-R267 IonicContact OE1-CZ 2.73Å; E20-R267 IonicContact OE1-NE 3.75Å; E20-R267 IonicContact OE1-NH2 2.97Å; E20-R267 PolarHBondContact OE1-NH2 3Å; Y24-R267 HydrophobicContact CD2-CG 4.21Å; Y24-R267 HydrophobicContact CE2-CB 4.16Å; Y24-R267 HydrophobicContact CE2-CG 3.93Å; P100-R267 VanDerWaalsContact CB-CZ 3.46Å; P100-R267 PolarHBondContact O-NH1 3.26Å; D104-R267 VanDerWaalsContact CG-NH1 3.32Å; D104-R267 IonicContact OD1-NH1 3.49Å; D104-R267 PolarHBondContact OD1-NH1 3.07Å; D104-R267 IonicContact OD2-CZ 3.18Å; D104-R267 IonicContact OD2-NH1 3.49Å; D104-R267 PolarHBondContact OD2-NH1 3.28Å; D104-R267 IonicContact OD2-NH2 2.92Å; D104-R267 PolarHBondContact OD2-NH2 2.88Å; F265-R267 HydrophobicContact CD2-CG 4.29Å; F265-R267 HydrophobicContact CE2-CG 3.69Å; F265-R267 HydrophobicContact CZ-CG 4.48Å; R267-H269 PolarHBondContact O-N 2.72Å
268C65.6Low62.7Low88 Ų88103 Ų10360%0.59556%0.564SS**PPolyproline II helixtrans-67.7120.1176.6-64.50000110.8Y24Y24-C268 PolarHBondContact OH-N 3.36Å
269H58.5Low61.4Low142 Ų142105.5 Ų105.566%0.65756%0.564SS**PPolyproline II helixtrans-61148.1176.3-61.7-81000112.1V57 R267 L271V57-H269 HydrophobicContact CG1-CB 4.48Å; R267-H269 PolarHBondContact O-N 2.72Å; H269-L271 PolarHBondContact O-N 2.76Å; H269-L271 VanDerWaalsContact O-N 3.1Å
270M58.5Low60.4Low8 Ų898.8 Ų98.84%0.03953%0.528CS..  trans-75.97.5-171.9-73.2-124175.800115.1R31 L53 V57 Y74 L76R31-M270 PolarHBondContact NE-SD 3.29Å; R31-M270 VanDerWaalsContact NE-SD 3.38Å; R31-M270 PolarHBondContact NH2-SD 3.36Å; L53-M270 HydrophobicContact CB-CE 3.66Å; L53-M270 HydrophobicContact CD1-CE 4.32Å; L53-M270 HydrophobicContact CD2-CE 3.8Å; L53-M270 HydrophobicContact CG-CE 4.11Å; V57-M270 HydrophobicContact CB-CG 3.92Å; V57-M270 HydrophobicContact CG1-CB 3.98Å; V57-M270 HydrophobicContact CG1-CG 3.66Å; V57-M270 HydrophobicContact CG2-CE 3.92Å; V57-M270 HydrophobicContact CG2-CG 3.63Å; Y74-M270 HydrophobicContact CD1-CB 3.37Å; Y74-M270 HydrophobicContact CD1-CG 4.46Å; Y74-M270 HydrophobicContact CE1-CB 3.91Å; Y74-M270 HydrophobicContact CG-CB 4.28Å; L76-M270 HydrophobicContact CD2-CE 4.21Å; L76-M270 HydrophobicContact CD2-SD 3.58Å; L76-M270 VanDerWaalsContact CD2-SD 3.58Å
271L51Low58.5Low121 Ų121100.2 Ų100.263%0.63454%0.538SS*.  trans-63.9155.4-175.1-62.7175.1000112.1Y74 H269Y74-L271 HydrophobicContact CE1-CD2 4.07Å; H269-L271 PolarHBondContact O-N 2.76Å; H269-L271 VanDerWaalsContact O-N 3.1Å
272S48.7Very low56.6Low102 Ų102101.9 Ų101.971%0.71354%0.538SS*.SBendtrans-32.7135.9-168.6-172.20000116S274S272-S274 PolarHBondContact O-N 3.1Å
273A44Very low54.6Low51 Ų51101.5 Ų101.542%0.42153%0.531SS..  trans-45.4119.1177.500000112.7D277A273-D277 HydrophobicContact CB-CB 3.88Å
274S42.7Very low52.5Low67 Ų67100.5 Ų100.547%0.46953%0.525SS..  trans-51.7147.9164.1175.20000109.9S272 R276 D277S272-S274 PolarHBondContact O-N 3.1Å; S274-R276 PolarHBondContact O-N 3.15Å; S274-R276 PolarHBondContact OG-N 3.38Å; S274-D277 WeakPolarHBondContact O-CB 3.41Å; S274-D277 PolarHBondContact O-N 3.46Å
275P42.1Very low50.8Low103 Ų10399.9 Ų99.967%0.66952%0.515SS*.THydrogen-bonded Turntrans-53.3-13.6171-28.436.1000114.9S278 F279P275-S278 PolarHBondContact O-OG 3.06Å; P275-F279 WeakPolarHBondContact O-CD2 3.42Å; P275-F279 WeakPolarHBondContact O-CE2 3.34Å
276R50.3Low48.5Very low207 Ų207102.7 Ų102.778%0.78153%0.532SS*.THydrogen-bonded Turntrans-71.5-24.2170.9-70.3-174.7176-178.8-0.2114.4S274 S278S274-R276 PolarHBondContact O-N 3.15Å; S274-R276 PolarHBondContact OG-N 3.38Å; R276-S278 VanDerWaalsContact C-N 3.33Å
277D48.2Very low46.6Very low65 Ų6596.4 Ų96.435%0.34851%0.508SS..THydrogen-bonded Turntrans-73.3-24.4179.7-108.826.2000112.4R35 A273 S274R35-D277 IonicContact CZ-OD2 3.29Å; R35-D277 IonicContact NH1-OD2 2.78Å; R35-D277 PolarHBondContact NH1-OD2 2.81Å; R35-D277 IonicContact NH2-OD2 3.18Å; R35-D277 PolarHBondContact NH2-OD2 3.38Å; A273-D277 HydrophobicContact CB-CB 3.88Å; S274-D277 WeakPolarHBondContact O-CB 3.41Å; S274-D277 PolarHBondContact O-N 3.46Å
278S40.5Very low44.7Very low84 Ų8498.7 Ų98.759%0.58752%0.524SS*.G310 helixtrans-79.3-27.8-178.561.60000113.9P275 R276 H280 F281P275-S278 PolarHBondContact O-OG 3.06Å; R276-S278 VanDerWaalsContact C-N 3.33Å; S278-H280 PolarHBondContact O-N 2.91Å; S278-F281 PolarHBondContact O-N 2.97Å
279F39.3Very low43.8Very low162 Ų16295.5 Ų95.571%0.71150%0.501SS*.G310 helixtrans-60.9-14.6172.2-73.8-84.1000113P275P275-F279 WeakPolarHBondContact O-CD2 3.42Å; P275-F279 WeakPolarHBondContact O-CE2 3.34Å
280H45.4Very low42.7Very low46 Ų4693.6 Ų93.621%0.21349%0.493CS..G310 helixtrans-87.6-8.7-172.8-126.4-44.7000115.4L4 R6 S278L4-H280 WeakPolarHBondContact CD1-CE1 3.38Å; L4-H280 WeakPolarHBondContact CD1-NE2 3.17Å; L4-H280 WeakPolarHBondContact CD2-NE2 3.22Å; R6-H280 PolarHBondContact NH2-NE2 3.17Å; S278-H280 PolarHBondContact O-N 2.91Å
281F38.5Very low41.8Very low153 Ų15399.7 Ų99.767%0.67152%0.523SS*.THydrogen-bonded Turntrans-94.9-37.6-159.6-175.7-104.1000115.6S278S278-F281 PolarHBondContact O-N 2.97Å
282K37.1Very low41.4Very low180 Ų18098.2 Ų98.278%0.78352%0.516SS*.THydrogen-bonded Turntrans-82.4-26.5179.9-72.6-176.21751800112.9
283D35.8Very low41.1Very low91 Ų9196.7 Ų96.749%0.48750%0.497SS..THydrogen-bonded Turntrans-95.4-39.3-165.8-66.6-3.8000111.7I285 L286 S287D283-I285 PolarHBondContact O-N 2.88Å; D283-L286 CarbonylContact O-C 3.58Å; D283-L286 PolarHBondContact O-N 3.23Å; D283-S287 VanDerWaalsContact C-OG 3.22Å; D283-S287 WeakPolarHBondContact CB-OG 3.38Å; D283-S287 WeakPolarHBondContact O-CB 3.34Å; D283-S287 PolarHBondContact O-N 2.9Å; D283-S287 PolarHBondContact O-OG 3.44Å
284S36.8Very low41.1Very low19 Ų1998.7 Ų98.713%0.13351%0.505CS..THydrogen-bonded Turntrans-68.18.6-170.5-157.20000117.3D288S284-D288 PolarHBondContact OG-OD2 2.82Å
285I42.3Very low41.1Very low132 Ų13298.6 Ų98.668%0.67751%0.507SS*.THydrogen-bonded Turntrans-112.8-16.6167.5-58.7-179.6000111.6D283D283-I285 PolarHBondContact O-N 2.88Å
286L37.3Very low41.2Very low108 Ų10898.4 Ų98.457%0.56550%0.498SS*.THydrogen-bonded Turntrans-117.2-46.7-177.6-128.675.1000112.7D283 D288 V289D283-L286 CarbonylContact O-C 3.58Å; D283-L286 PolarHBondContact O-N 3.23Å; L286-D288 PolarHBondContact O-N 2.86Å; L286-V289 WeakPolarHBondContact O-CB 3.3Å; L286-V289 PolarHBondContact O-N 3.29Å
287S36.3Very low41Very low48 Ų4893.5 Ų93.534%0.33649%0.486SS..THydrogen-bonded Turntrans-75.5-21.1-169.174.60000115.5D283 V289D283-S287 VanDerWaalsContact C-OG 3.22Å; D283-S287 WeakPolarHBondContact CB-OG 3.38Å; D283-S287 WeakPolarHBondContact O-CB 3.34Å; D283-S287 PolarHBondContact O-N 2.9Å; D283-S287 PolarHBondContact O-OG 3.44Å; S287-V289 PolarHBondContact O-N 3.01Å
288D40.8Very low40.9Very low95 Ų9593.2 Ų93.251%0.50849%0.493SS..THydrogen-bonded Turntrans-71.4-1.2172.5-70-32.6000111.4Q204 S284 L286Q204-D288 PolarHBondContact NE2-O 3.39Å; S284-D288 PolarHBondContact OG-OD2 2.82Å; L286-D288 PolarHBondContact O-N 2.86Å
289V45.4Very low41.1Very low21 Ų2192.1 Ų92.113%0.12749%0.489CS..THydrogen-bonded Turntrans-118-29-174.8-166.10000113Y201 L286 S287 M291Y201-V289 HydrophobicContact CD2-CG1 4.07Å; Y201-V289 HydrophobicContact CD2-CG2 3.78Å; Y201-V289 HydrophobicContact CE2-CG2 4.12Å; L286-V289 WeakPolarHBondContact O-CB 3.3Å; L286-V289 PolarHBondContact O-N 3.29Å; S287-V289 PolarHBondContact O-N 3.01Å; V289-M291 VanDerWaalsContact C-N 3.31Å; V289-M291 PolarHBondContact O-N 3.27Å
290E36.5Very low41.4Very low102 Ų10290 Ų9048%0.47749%0.485SS..Hα-helixtrans-73.5-7.5-166.1-77.6-178.1152.100116.5D292 T294E290-D292 VanDerWaalsContact C-N 3.32Å; E290-D292 PolarHBondContact O-N 3.25Å; E290-T294 PolarHBondContact O-OG1 3.02Å
291M39.4Very low41.4Very low137 Ų13791.9 Ų91.968%0.67551%0.508SS*.Hα-helixtrans-80.93.1-173.3-102.9-154.867.900117M1 V289M1-M291 HydrophobicContact CE-CE 3.68Å; M1-M291 HydrophobicContact CE-SD 3.31Å; M1-M291 WeakPolarHBondContact CE-SD 3.47Å; V289-M291 VanDerWaalsContact C-N 3.31Å; V289-M291 PolarHBondContact O-N 3.27Å
292D41.5Very low41.6Very low90 Ų9091.6 Ų91.648%0.48151%0.513SS..Hα-helixtrans-117.9-35.6176.1-136.511.8000111T200 E290 A295T200-D292 HydrophobicContact CG2-CB 4.22Å; E290-D292 VanDerWaalsContact C-N 3.32Å; E290-D292 PolarHBondContact O-N 3.25Å; D292-A295 PolarHBondContact O-N 3.1Å
293E43.5Very low41.8Very low69 Ų6991.4 Ų91.432%0.32252%0.515SS..Hα-helixtrans-73.9-27.8-178.6-74.8-175.1161.300113.8S198 T200 A295 E296 L297S198-E293 WeakPolarHBondContact CB-OE1 3.39Å; S198-E293 PolarHBondContact OG-OE1 3.27Å; T200-E293 HydrophobicContact CG2-CG 4.33Å; T200-E293 PolarHBondContact OG1-OE1 3.12Å; E293-A295 PolarHBondContact O-N 3.02Å; E293-E296 PolarHBondContact O-N 3.12Å; E293-L297 WeakPolarHBondContact O-CB 3.36Å; E293-L297 PolarHBondContact O-N 3.02Å
294T43Very low41.8Very low94 Ų9495.8 Ų95.858%0.57753%0.53SS*.Hα-helixtrans-64.1-28.3176.149.30000113E290 A298E290-T294 PolarHBondContact O-OG1 3.02Å; T294-A298 WeakPolarHBondContact O-CB 3.43Å; T294-A298 PolarHBondContact O-N 3.03Å
295A42.8Very low41.7Very low64 Ų64100.5 Ų100.553%0.52956%0.56SS.*Hα-helixtrans-77.1-39.3175.400000111.9D292 E293 A299D292-A295 PolarHBondContact O-N 3.1Å; E293-A295 PolarHBondContact O-N 3.02Å; A295-A299 WeakPolarHBondContact O-CB 3.43Å; A295-A299 PolarHBondContact O-N 3.42Å
296E43.8Very low41.3Very low99 Ų99100.5 Ų100.546%0.46357%0.566SS.*Hα-helixtrans-76.8-32.9-177.8-161.2168-159.300112.5E293E293-E296 PolarHBondContact O-N 3.12Å
297L46.5Very low40.9Very low104 Ų104101.4 Ų101.455%0.54558%0.576SS.*Hα-helixtrans-75.8-37.4172.7-81.2160.8000113.1E293 A299 L300 A301E293-L297 WeakPolarHBondContact O-CB 3.36Å; E293-L297 PolarHBondContact O-N 3.02Å; L297-A299 VanDerWaalsContact C-N 3.29Å; L297-A299 PolarHBondContact O-N 2.79Å; L297-L300 PolarHBondContact O-N 3.03Å; L297-L300 VanDerWaalsContact O-N 3.13Å; L297-A301 PolarHBondContact O-N 2.72Å
298A45.9Very low40.7Very low60 Ų60107 Ų10750%0.49660%0.601SS.*Hα-helixtrans-63.1-36.9174.100000111.8T294 L300 A301T294-A298 WeakPolarHBondContact O-CB 3.43Å; T294-A298 PolarHBondContact O-N 3.03Å; A298-L300 PolarHBondContact O-N 2.66Å; A298-A301 PolarHBondContact O-N 3.1Å
299A46.1Very low40.1Very low61 Ų61105.9 Ų105.950%0.50461%0.605SS.*Hα-helixtrans-66.9-17.2175.100000114.3A295 L297A295-A299 WeakPolarHBondContact O-CB 3.43Å; A295-A299 PolarHBondContact O-N 3.42Å; L297-A299 VanDerWaalsContact C-N 3.29Å; L297-A299 PolarHBondContact O-N 2.79Å
300L43.8Very low39.5Very low118 Ų118112 Ų11262%0.61864%0.637SS**Hα-helixtrans-97.3-16.9175.7-75.1166000113.4L297 A298L297-L300 PolarHBondContact O-N 3.03Å; L297-L300 VanDerWaalsContact O-N 3.13Å; A298-L300 PolarHBondContact O-N 2.66Å
301A47Very low39.2Very low84 Ų84111.3 Ų111.369%0.69464%0.644SS**Hα-helixtrans-92-14.6-177.400000114.2L297 A298L297-A301 PolarHBondContact O-N 2.72Å; A298-A301 PolarHBondContact O-N 3.1Å
302D41.9Very low39Very low147 Ų147113.3 Ų113.379%0.78665%0.651SS**  trans-91.70.8-175.3-149.125.3000113.8K304D302-K304 PolarHBondContact O-N 3.42Å; D302-K304 VanDerWaalsContact O-N 3.09Å
303E40.6Very low38.5Very low176 Ų176115.2 Ų115.282%0.82266%0.661SS**  trans-76.592.6166.1-73.6-147.2145.100110.7
304K37Very low38Very low184 Ų184121.2 Ų121.280%0.869%0.691SS**  trans-56.1132.8165.1-84.4-178.6174176.90110.5D302 V306D302-K304 PolarHBondContact O-N 3.42Å; D302-K304 VanDerWaalsContact O-N 3.09Å; K304-V306 PolarHBondContact O-N 2.87Å; K304-V306 VanDerWaalsContact O-N 3.14Å
305P34Very low37.4Very low117 Ų117122.6 Ų122.676%0.7670%0.699SS**  trans-67.1115.1172.227.7-33000109.9V307P305-V307 PolarHBondContact O-N 3.04Å
306V34.4Very low36.8Very low133 Ų133124.4 Ų124.481%0.80671%0.714SS**  trans-79.5109.2171177.60000108.4K304K304-V306 PolarHBondContact O-N 2.87Å; K304-V306 VanDerWaalsContact O-N 3.14Å
307V28Very low36.3Very low127 Ų127128.3 Ų128.377%0.7773%0.733SS**  trans-85.5126.1173.5177.90000109.3P305P305-V307 PolarHBondContact O-N 3.04Å
308L31.9Very low35.5Very low166 Ų166129.2 Ų129.287%0.86975%0.745SS**  trans-144.4133.7161.4-106.5160.9000108.6
309A29Very low34.6Very low70 Ų70132.8 Ų132.858%0.57976%0.764SS**  trans-105.3150.8-163.800000112.8
310N32.6Very low33.8Very low149 Ų149139.7 Ų139.780%0.79778%0.783SS**  172.5132.8111.5-88.1-13.5000114.2
311S30.9Very low33Very low89 Ų89138.3 Ų138.362%0.62279%0.789SS**  trans37.8117.4145.360.30000121.4
312H34.7Very low32.4Very low178 Ų178141.9 Ų141.982%0.82480%0.796SS**  -166.5150.486.3-105.9-74.4000112.9
313D31.6Very low31.8Very low130 Ų130142.9 Ų142.970%0.69580%0.796SS**  trans-75.7154.5-171.1-47.9-92.4000115.2
314M32.7Very low31.4Very low196 Ų196143.4 Ų143.497%0.96680%0.799SS**  -154.2143.9120.7-75.7-142.385.500110.2
315V29.9Very low31.2Very low123 Ų123142.6 Ų142.675%0.74580%0.797SS**  trans-108140.4-166171.50000112.5
316A30.9Very low31.3Very low101 Ų101145.3 Ų145.384%0.83581%0.805SS**  trans-152.5128155.900000111.4
317Q33.1Very low31.2Very low182 Ų182143.1 Ų143.185%0.8580%0.801SS**PPolyproline II helixtrans-91.7156.5-179.8-79.6173-66.400113.1
318P28.9Very low31.7Very low123 Ų123144.1 Ų144.180%0.79981%0.807SS**PPolyproline II helixtrans-92.6142.1176.135.7-32.8000113.3
319C28.3Very low31.8Very low134 Ų134143.8 Ų143.891%0.90581%0.806SS**PPolyproline II helixtrans-103.5150.1170.6-74.10000112.2
320K27.9Very low32Very low206 Ų206144.3 Ų144.390%0.89681%0.811SS**PPolyproline II helixtrans-97.9173.7-178.4-72.4179.7175177.10112.6
321A28.7Very low32.1Very low90 Ų90144.2 Ų144.274%0.74482%0.815SS**  trans81.4146.6165.500000114.5
322N33Very low32.1Very low159 Ų159144.1 Ų144.185%0.8582%0.82SS**  cis-149.2175.627.7-122.3-20.8000114
323Q29Very low32Very low167 Ų167140.1 Ų140.178%0.7882%0.818SS**  trans-91.2149.9178.4-62167-2800113.1
324Q34Very low32.3Very low188 Ų188139.9 Ų139.988%0.87982%0.823SS**  trans-166.7107.6148.7-103.4152.6-7.700106
325H32.4Very low32.4Very low167 Ų167138.4 Ų138.477%0.77382%0.819SS**  48.9103.277.1-94.6-87.1000114.2
326D36Very low32.9Very low173 Ų173138.5 Ų138.593%0.92582%0.822SS**  trans-156145.5131.4-99.1-32.5000110
327A31.4Very low33Very low88 Ų88140.2 Ų140.273%0.72782%0.822SS**  trans-136.3137.7-17300000111
328V38.4Very low33.1Very low147 Ų147137.1 Ų137.189%0.89182%0.82SS**  trans-136.8109.7173.7-163.80000110.4
329N34.8Very low33.5Very low159 Ų159136.1 Ų136.185%0.8582%0.823SS**  trans-61.9169.3163.6-72.5-33.7000110.7
330A32.9Very low33.6Very low82 Ų82136.2 Ų136.268%0.67882%0.819SS**  cis-161.4176.7-14.700000104.8
331V34.6Very low33.9Very low146 Ų146130.1 Ų130.189%0.88581%0.814SS**  166.7156.685.9166.90000105.6
332A31.4Very low33.9Very low88 Ų88134.5 Ų134.573%0.72782%0.819SS**  trans-109.5157-167.100000116.6
333A33Very low33.9Very low94 Ų94133.6 Ų133.678%0.77782%0.819SS**  trans67.5169.5146.200000119.7
334P36.7Very low34.1Very low124 Ų124132.7 Ų132.781%0.80582%0.819SS**  cis-129.3-173.5-26.5231000114.6
335L35Very low34Very low166 Ų166131.6 Ų131.687%0.86982%0.815SS**  trans-59.1164.4174.5-73140.3000116.3
336P41.1Very low34Very low125 Ų125133.9 Ų133.981%0.81282%0.822SS**  trans-121.9152.4141.837.3-28.4000114.1
337T31.9Very low33.7Very low136 Ų136128.6 Ų128.683%0.83481%0.809SS**  trans-100.3166176.644.20000113.3
338S35.9Very low33.7Very low117 Ų117131.9 Ų131.982%0.81882%0.82SS**  trans112.6122.4141.9-143.20000118
339A37.1Very low33.1Very low103 Ų103134.3 Ų134.385%0.85182%0.818SS**  trans-171.8147.5131.300000110.3
340V29.5Very low32.7Very low136 Ų136134 Ų13482%0.82482%0.816SS**  trans-116.6151.9-170.5168.90000111.3
341G34.4Very low32.6Very low77 Ų77137.9 Ų137.979%0.79482%0.824SS**  trans-149.1128.2165.400000112
342Q28.7Very low32.1Very low183 Ų183137.8 Ų137.886%0.85582%0.819SS**  trans-98.6-175.8-174.2-72.7174.7-90.400114.3
343V33.2Very low32.1Very low140 Ų140140.5 Ų140.585%0.84883%0.826SS**  trans98.7132.9161-178.20000113.9
344D32.9Very low31.7Very low147 Ų147138.7 Ų138.779%0.78682%0.816SS**  cis-134.1-171.27.8-159.48.4000113.8
345Q32.2Very low31.3Very low166 Ų166140.9 Ų140.978%0.77682%0.821SS**  trans-111.4151.3-177.7-55.4174.8-0.100115.1
346K33.2Very low30.8Very low215 Ų215142.5 Ų142.594%0.93582%0.824SS**  trans160136142.4-92.3162.9-177.5172.70109
347G28.7Very low30.1Very low62 Ų62139.8 Ų139.864%0.63982%0.819SS**  cis170.5175.8-5.100000111
348T32.9Very low29.8Very low156 Ų156138.5 Ų138.596%0.95782%0.815SS**  trans88.5140177.272.80000118.4
349K25.9Very low29.3Very low198 Ų198139.6 Ų139.686%0.86182%0.817SS**  trans-96.1153.7-164.4-60.8162.2169.3175.80111.2
350L26.3Very low28.8Very low154 Ų154141.5 Ų141.581%0.80681%0.813SS**  -165.3134.5111-12783.8000113.5
351L30.3Very low28.8Very low162 Ų162141.2 Ų141.285%0.84881%0.811SS**  trans49.1103.3158.5-61.3176.2000119.8
352D24.1Very low28.5Very low145 Ų145142.7 Ų142.778%0.77581%0.807SS**  trans-89.1138.1165.4-17614.7000110.7G354D352-G354 PolarHBondContact OD1-N 3.06Å
353V31Very low28.4Very low144 Ų144145.2 Ų145.287%0.87381%0.809SS**  trans-135.693.9159.7178.90000106.1
354G24.3Very low28.3Very low56 Ų56142.9 Ų142.958%0.57779%0.791SS**  trans-67.5150.3-170.500000114.3D352D352-G354 PolarHBondContact OD1-N 3.06Å
355L29.6Very low28Very low171 Ų171147.2 Ų147.290%0.89580%0.796SS**  trans-150.987.3158.8-112.1162000107.6G357L355-G357 PolarHBondContact O-N 2.89Å
356E23.2Very low27.9Very low199 Ų199142.5 Ų142.593%0.9379%0.792SS**  trans-64.1130.7165.5-66.2-162.4143.600109.1
357G27Very low27.8Very low69 Ų69136.7 Ų136.771%0.71177%0.77SS**  trans177.978.1-174.100000114.8L355L355-G357 PolarHBondContact O-N 2.89Å
358S25.6Very low27.7Very low108 Ų108142.2 Ų142.276%0.75577%0.773SS**  trans39.1111.3160.5-157.70000118.3D360S358-D360 PolarHBondContact O-N 2.94Å
359T24.8Very low27.6Very low140 Ų140136.3 Ų136.386%0.85974%0.738SS**  trans-69.393.9172.749.70000112.7
360D26.5Very low27.9Very low143 Ų143137.7 Ų137.777%0.76574%0.737SS**  trans-124.2101.2162.1-95.7-50.8000110.3S358 P362S358-D360 PolarHBondContact O-N 2.94Å; D360-P362 WeakPolarHBondContact O-CD 3.3Å
361V29Very low28.1Very low130 Ų130136.3 Ų136.379%0.78873%0.731SS**  trans-79.6116.7176.6-178.80000109R363V361-R363 PolarHBondContact O-N 3.47Å
362P28.7Very low28Very low108 Ų108133.6 Ų133.670%0.70172%0.724SS**  trans-68109.9-177.9-19.233000111D360 L364D360-P362 WeakPolarHBondContact O-CD 3.3Å; P362-L364 PolarHBondContact O-N 3.09Å
363R26.9Very low28.2Very low237 Ų237131.6 Ų131.689%0.89472%0.722SS**  trans-60.5108.2174.3-74.5179.8172.6173.4-2.5110.4V361 R365V361-R363 PolarHBondContact O-N 3.47Å; R363-R365 VanDerWaalsContact C-N 3.25Å; R363-R365 PolarHBondContact O-N 3.39Å
364L31Very low28Very low91 Ų91131 Ų13148%0.47672%0.719SS.*  trans-67.179.1169.7-93.6158.5000111.1N79 Q142 P362 G366N79-L364 VanDerWaalsContact ND2-CD2 3.3Å; N79-L364 WeakPolarHBondContact ND2-CD2 3.48Å; Q142-L364 VanDerWaalsContact NE2-CD1 3.32Å; P362-L364 PolarHBondContact O-N 3.09Å; L364-G366 PolarHBondContact O-N 3.41Å; L364-G366 VanDerWaalsContact O-N 3.16Å
365R26.2Very low28.2Very low238 Ų238133.8 Ų133.890%0.89873%0.727SS**THydrogen-bonded Turntrans-62.2108.9161.4-85.5-176.8172170.8-1.1108.3R363R363-R365 VanDerWaalsContact C-N 3.25Å; R363-R365 PolarHBondContact O-N 3.39Å
366G31.7Very low27.8Very low66 Ų66133.3 Ų133.368%0.6872%0.723SS**THydrogen-bonded Turntrans-179.2-33.2174.400000115.5L364L364-G366 PolarHBondContact O-N 3.41Å; L364-G366 VanDerWaalsContact O-N 3.16Å
367L29.7Very low28.1Very low93 Ų93128.1 Ų128.149%0.48771%0.714SS.*  trans-119.264.2-173.5-63.1177.1000112.2F128F128-L367 HydrophobicContact CE2-CB 3.89Å; F128-L367 HydrophobicContact CZ-CB 4.07Å; F128-L367 HydrophobicContact CZ-CD2 4.42Å
368Y27.1Very low28Very low179 Ų179129.8 Ų129.870%0.70272%0.721SS**  trans-104.7126163.6-77.7-84.9000109.4R370Y368-R370 PolarHBondContact O-N 3.29Å
369P31.4Very low28.1Very low32 Ų32129.3 Ų129.321%0.20872%0.724CS.*  trans-56.3108.6158.5-24.637.4000108.6T123 F128T123-P369 HydrophobicContact CG2-CB 3.61Å; T123-P369 HydrophobicContact CG2-CG 3.86Å; F128-P369 HydrophobicContact CZ-CG 4.36Å
370R32.5Very low28.2Very low226 Ų226131.2 Ų131.285%0.85373%0.729SS**  trans-77.7136.3172.1-77.3-173.5173.7-179.7-1.9109.2Y368 C372Y368-R370 PolarHBondContact O-N 3.29Å; R370-C372 PolarHBondContact O-N 2.78Å
371D30.5Very low28.4Very low125 Ų125127.6 Ų127.667%0.66873%0.725SS**  trans-60.9122176.3-56.5-65.5000110.3S373D371-S373 PolarHBondContact O-N 2.71Å
372C27.7Very low28.5Very low106 Ų106127 Ų12772%0.71673%0.727SS**  trans-85.990.3-179.8-730000110.6V197 R370V197-C372 HydrophobicContact CG1-CB 4.2Å; R370-C372 PolarHBondContact O-N 2.78Å
373S28.4Very low28.3Very low103 Ų103132.9 Ų132.972%0.7274%0.735SS**  trans-106.897.5169.9-61.50000110.3D371D371-S373 PolarHBondContact O-N 2.71Å
374T27.2Very low28.7Very low131 Ų131127 Ų12780%0.80473%0.727SS**  trans33.2154.913958.30000122
375P26.8Very low28.6Very low115 Ų115131.1 Ų131.175%0.74774%0.744SS**  cis-131.7-177.8-32.438-21.4000112A377P375-A377 PolarHBondContact O-N 2.93Å
376I22.5Very low29.1Very low161 Ų161129.1 Ų129.183%0.82675%0.748SS**  trans-63.2126.2168.6-68157.9000109.8
377A28.5Very low29.3Very low90 Ų90130.4 Ų130.474%0.74475%0.752SS**  trans-126.8124.7164.300000109P375P375-A377 PolarHBondContact O-N 2.93Å
378A25Very low29.5Very low103 Ų103130.5 Ų130.585%0.85177%0.766SS**  trans-73.8137.9179.100000111.1
379A29.1Very low29.9Very low98 Ų98127.3 Ų127.381%0.8177%0.77SS**  trans-141.894.216800000110.1
380N26.3Very low30.1Very low181 Ų181131.1 Ų131.197%0.96880%0.797SS**  trans-66.7126.5157.5-76.6-31.6000107.7
381G30.4Very low30.3Very low66 Ų66126 Ų12668%0.6880%0.796SS**  trans-172.287.3-17600000114.7
382S31Very low30.6Very low118 Ų118125.6 Ų125.683%0.82580%0.8SS**  trans30.6111.9144.452.10000120
383R24.7Very low31.1Very low231 Ų231128.6 Ų128.687%0.87281%0.809SS**PPolyproline II helixtrans-63.2138.3159.6175.7-172.6-171.2179.63.8111.7
384P35.2Very low31.5Very low114 Ų114131.8 Ų131.874%0.7481%0.812SS**PPolyproline II helixtrans-99.6148.2154.222.9-8.2000111.8
385E29.5Very low32Very low178 Ų178132.6 Ų132.683%0.83281%0.812SS**PPolyproline II helixtrans-75152.5167.9-66.1167.1106.500111.1
386M36.8Very low32.4Very low196 Ų196131.1 Ų131.197%0.96681%0.809SS**  trans-133.8143.8147.6-85.4-153.5-71.600109
387A35.6Very low33.2Very low93 Ų93131.6 Ų131.677%0.76981%0.812SS**  trans-109.5164.6-15900000114
388A32.8Very low33.3Very low95 Ų95134.1 Ų134.179%0.78581%0.813SS**  trans61.1106.7147.200000120.6
389S35.8Very low34Very low112 Ų112132.7 Ų132.778%0.78381%0.808SS**  -179.9101.9121.628.70000108.2
390S35.5Very low34Very low112 Ų112137.4 Ų137.478%0.78381%0.81SS**  8083.972.772.30000115
391S36.6Very low34.4Very low117 Ų117133.2 Ų133.282%0.81880%0.801SS**  trans-173.1124141.438.80000110.7
392P36.4Very low34.4Very low117 Ų117135.9 Ų135.976%0.7681%0.809SS**  trans-92.4157.2168.636.4-31.4000110.8
393N39.8Very low34.5Very low169 Ų169139.4 Ų139.490%0.90482%0.815SS**  trans-147.2148.6151.1-116.1-1.4000109.2
394E37.1Very low34.6Very low170 Ų170138.3 Ų138.379%0.79482%0.817SS**  trans-89164.1-162.1-58.4179.3112.600113.5
395D36.5Very low34.5Very low149 Ų149139.4 Ų139.480%0.79782%0.822SS**  trans128.8113.3131.1-74.9-37.8000119.1
396A35.6Very low34.5Very low83 Ų83141.5 Ų141.569%0.68682%0.822SS**  trans26.5130.1142.100000121.3
397I38.4Very low34.3Very low171 Ų171139.6 Ų139.688%0.87782%0.815SS**  -172148.993.7-91161.6000110.6
398D31.8Very low34.3Very low143 Ų143142.6 Ų142.677%0.76582%0.816SS**  trans-79.1159.7-170.7-154.2-9.2000114.1
399G38.8Very low34.2Very low74 Ų74141.8 Ų141.876%0.76381%0.81SS**  trans-17280.1-175.400000116.3
400K30.3Very low34Very low196 Ų196142.6 Ų142.685%0.85282%0.815SS**  trans-79.2135.6179-70.6169.3177.1162.50114.5
401A34.5Very low33.7Very low94 Ų94142.9 Ų142.978%0.77781%0.812SS**  trans174.3111.2135.300000109
402S29.4Very low33.3Very low121 Ų121141.9 Ų141.985%0.84681%0.805SS**  64.294.568.7-166.40000115.5
403M34.1Very low33.1Very low193 Ų193144.2 Ų144.295%0.95181%0.81SS**  trans-151.2135.5141.1-113-175.1-175.900110.8
404K26.6Very low32.5Very low207 Ų207142.4 Ų142.490%0.981%0.806SS**  trans-141.3108.4-174.4-172.6179.4-169.7173.60108.5
405T33.5Very low32.4Very low138 Ų138140.6 Ų140.685%0.84781%0.809SS**  trans-106.3139.7176.9-51.80000110
406R28Very low32.2Very low222 Ų222138.7 Ų138.784%0.83881%0.807SS**  trans-118.7-170.5-168.7-153.1-177.3-165.4-174.44.8108.7
407L32.9Very low31.9Very low155 Ų155146 Ų14681%0.81282%0.817SS**  trans78.1140.1159.9-68.3149.3000114.3
408I35.1Very low31.5Very low156 Ų156142 Ų14280%0.881%0.809SS**  cis-136.8155.77.9-64.3-172.2000112.5
409A31.2Very low31.6Very low79 Ų79142.9 Ų142.965%0.65381%0.814SS**  trans-54.2166.3177.100000119.4
410S31.8Very low31.2Very low128 Ų128144.5 Ų144.590%0.89581%0.814SS**  -149.3140.7117.250.90000110.2
411T30.5Very low31.4Very low118 Ų118138.6 Ų138.672%0.72481%0.809SS**  trans-124.9146.1-166.2-33.70000110.8
412S27.7Very low31.2Very low96 Ų96141 Ų14167%0.67181%0.807SS**  trans44.8131.8150.959.80000120.6
413L32Very low31.3Very low166 Ų166146.8 Ų146.887%0.86981%0.812SS**  -175.4132.5110.2-96.9153000111.3
414T28Very low31Very low132 Ų132142 Ų14281%0.8180%0.798SS**  trans-92152.5159.643.30000109.3
415P34.6Very low31.2Very low131 Ų131139.3 Ų139.385%0.85180%0.799SS**  trans-136.3164.5136.935.8-23.7000112.8
416S31Very low31Very low109 Ų109139.1 Ų139.176%0.76280%0.797SS**  trans-113.9158-179.659.20000112.3
417R30Very low31.1Very low237 Ų237133.7 Ų133.789%0.89480%0.8SS**  trans87130.2146.9-157.6175.6-167.81383.1119.3
418A30.7Very low31Very low86 Ų86131.7 Ų131.771%0.71180%0.799SS**  trans62131165.300000116.1
419D32.5Very low30.8Very low162 Ų162133.5 Ų133.587%0.86680%0.804SS**  -152.5178.552.7-115.1-31.1000115.8
420S32Very low30.7Very low108 Ų108138.9 Ų138.976%0.75582%0.816SS**  trans-72.8149.9-17156.50000116.9
421G32.6Very low30.6Very low73 Ų73137.8 Ų137.875%0.75381%0.814SS**  trans-170.255.1178.400000115.7
422I31.7Very low30.6Very low143 Ų143137 Ų13773%0.73381%0.814SS**  trans8.6112.8146.1-53.9169.7000116.9
423Y30.8Very low30.6Very low244 Ų244138.6 Ų138.696%0.95782%0.819SS**  trans-150.4111.9131.6-100.1-71.8000109.3
424S28Very low30.6Very low93 Ų93137.8 Ų137.865%0.6582%0.821SS**  trans-112.8129.2-173.9510000111.4
425T30.8Very low30.6Very low150 Ų150136.3 Ų136.392%0.9282%0.816SS**  trans-143.883.9158.610.60000109.8
426T29.4Very low30.3Very low134 Ų134135.6 Ų135.682%0.82281%0.814SS**  trans-82.1123161.644.40000109.1
427A29.3Very low30.2Very low108 Ų108135.6 Ų135.689%0.89381%0.814SS**  trans-123.881.1161.700000107.9
428S30.5Very low30.3Very low113 Ų113130.3 Ų130.379%0.7981%0.808SS**  trans-95.9114.8162.155.20000107.5
429E32.4Very low30.1Very low194 Ų194130 Ų13091%0.90781%0.806SS**  trans-128.9127168.3-150.7165.5-168.100109.5
430Q29.3Very low30.1Very low192 Ų192130 Ų13090%0.89780%0.804SS**  trans-83.1134.2-178-63.6167.1-28.900108.9
431A29.1Very low30Very low104 Ų104133.9 Ų133.986%0.8681%0.81SS**  trans-146.485.3163.200000110.1
432S30.4Very low29.9Very low103 Ų103133 Ų13372%0.7280%0.802SS**  trans-71.6141.9167.148.70000111.1
433T26.8Very low29.9Very low128 Ų128133.3 Ų133.379%0.78581%0.81SS**  trans52.497.4150.356.60000118.6
434V31.8Very low30Very low150 Ų150125.6 Ų125.691%0.90980%0.796SS**  trans-132.1128.2139.3-179.40000108.7
435S28.5Very low30.3Very low100 Ų100126.3 Ų126.370%0.69980%0.801SS**  trans-88.3165.9-178.7-54.70000112.9
436S28.1Very low30.4Very low116 Ų116123.4 Ų123.481%0.81180%0.801SS**  trans78.1159.515179.90000119.4
437S29.8Very low31.1Very low110 Ų110128 Ų12877%0.76980%0.804SS**  trans75.5131.5174.9-164.50000116.2
438T32.1Very low32.1Very low125 Ų125128.1 Ų128.177%0.76780%0.798SS**  cis-155.9158-13.1-86.10000108.6
439A27Very low33.4Very low79 Ų79127.1 Ų127.165%0.65379%0.788SS**  trans-51.1146.3-179.200000116.5
440I31.8Very low34.5Very low163 Ų163122.7 Ų122.784%0.83678%0.776SS**  trans-130.983136.2-55.4-177000108.8G442I440-G442 PolarHBondContact O-N 3.09Å; I440-G442 VanDerWaalsContact O-N 3.09Å
441Q29.4Very low35.7Very low189 Ų189124.2 Ų124.288%0.88378%0.78SS**  trans-74.383.7152.1-89.9-176.7-31.600107.5V443Q441-V443 PolarHBondContact O-N 3.31Å; Q441-V443 VanDerWaalsContact O-N 3.17Å
442G32Very low37.5Very low56 Ų56120.7 Ų120.758%0.57775%0.754SS**  trans-81.886.1-177.600000112.5I440 A444I440-G442 PolarHBondContact O-N 3.09Å; I440-G442 VanDerWaalsContact O-N 3.09Å; G442-A444 PolarHBondContact O-N 3.04Å
443V30.2Very low39.5Very low148 Ų148118.2 Ų118.290%0.89774%0.735SS**  trans-70.792.6165.3178.70000108.6Q441Q441-V443 PolarHBondContact O-N 3.31Å; Q441-V443 VanDerWaalsContact O-N 3.17Å
444A33.5Very low41.8Very low82 Ų82120 Ų12068%0.67873%0.732SS**  trans-154.593.4178.600000115.3G442G442-A444 PolarHBondContact O-N 3.04Å
445S35.3Very low44Very low108 Ų108117 Ų11776%0.75571%0.714SS**  trans62.2126.7155.477.40000119.4R447S445-R447 PolarHBondContact O-N 3.02Å; S445-R447 VanDerWaalsContact O-N 3.11Å
446G32.5Very low46.6Very low89 Ų89117.1 Ų117.192%0.91871%0.705SS**  trans-68.6105165.200000111.4
447R43.8Very low49.1Very low232 Ų232113.5 Ų113.588%0.87568%0.677SS**PPolyproline II helixtrans-104122.1155.6-97-177.9171.4178.1-1108.6S445S445-R447 PolarHBondContact O-N 3.02Å; S445-R447 VanDerWaalsContact O-N 3.11Å
448S50.7Low51.5Low109 Ų109113.9 Ų113.976%0.76266%0.662SS**PPolyproline II helixtrans-60.714217245.40000110.1
449P56.2Low54Low92 Ų92112.4 Ų112.460%0.59765%0.649SS**PPolyproline II helixtrans-60.6140.8-179.724.6-33.7000109.8K451P449-K451 PolarHBondContact O-N 3.3Å
450P57.3Low56.8Low101 Ų101112.1 Ų112.166%0.65664%0.635SS**PPolyproline II helixtrans-58139.4-174.719.2-28.7000111.2G452 T453P450-G452 PolarHBondContact O-N 3.5Å; P450-T453 WeakPolarHBondContact CD-OG1 3.49Å; P450-T453 WeakPolarHBondContact CG-OG1 3.45Å; P450-T453 PolarHBondContact O-N 2.99Å; P450-T453 PolarHBondContact O-OG1 2.73Å
451K53.9Low59.2Low225 Ų225106.3 Ų106.398%0.97860%0.604SS**THydrogen-bonded Turntrans-61.197.3179.3-66.5179.3-179.3177.60109P449P449-K451 PolarHBondContact O-N 3.3Å
452G67.6Low61.9Low30 Ų30100.5 Ų100.531%0.30958%0.578SS.*THydrogen-bonded Turntrans146.6-28.1-172.400000113.2P450 K454 T455 I456P450-G452 PolarHBondContact O-N 3.5Å; G452-K454 VanDerWaalsContact C-N 3.33Å; G452-K454 PolarHBondContact O-N 2.97Å; G452-T455 WeakPolarHBondContact O-CB 3.43Å; G452-T455 PolarHBondContact O-N 2.81Å; G452-I456 PolarHBondContact O-N 2.73Å
453T71.2Confident64.5Low51 Ų51101.7 Ų101.731%0.31357%0.574SS.*Hα-helixtrans-56.3-43.8-178-37.10000112.4P450 T455 I456 L457P450-T453 WeakPolarHBondContact CD-OG1 3.49Å; P450-T453 WeakPolarHBondContact CG-OG1 3.45Å; P450-T453 PolarHBondContact O-N 2.99Å; P450-T453 PolarHBondContact O-OG1 2.73Å; T453-T455 VanDerWaalsContact C-N 3.33Å; T453-T455 PolarHBondContact O-N 3.26Å; T453-I456 PolarHBondContact O-N 3.48Å; T453-L457 HydrophobicContact CG2-CD1 4.39Å; T453-L457 WeakPolarHBondContact O-CD1 3.3Å; T453-L457 PolarHBondContact O-N 2.97Å
454K75.1Confident67Low166 Ų16694.9 Ų94.972%0.72253%0.533SS*.Hα-helixtrans-61.7-36.8175.9-67.6-169.2174.8-168.30113G452 L457 Y458G452-K454 VanDerWaalsContact C-N 3.33Å; G452-K454 PolarHBondContact O-N 2.97Å; K454-L457 WeakPolarHBondContact O-CB 3.18Å; K454-Y458 WeakPolarHBondContact O-CB 3.43Å; K454-Y458 PolarHBondContact O-N 2.96Å
455T78.9Confident69.4Low86 Ų8695.7 Ų95.753%0.52852%0.522SS..Hα-helixtrans-68.7-42.3177.9-46.60000111.1G452 T453 Y458 I459G452-T455 WeakPolarHBondContact O-CB 3.43Å; G452-T455 PolarHBondContact O-N 2.81Å; T453-T455 VanDerWaalsContact C-N 3.33Å; T453-T455 PolarHBondContact O-N 3.26Å; T455-Y458 PolarHBondContact O-N 3.18Å; T455-I459 HydrophobicContact CG2-CD1 4.17Å; T455-I459 VanDerWaalsContact O-CG1 3.29Å; T455-I459 WeakPolarHBondContact O-CG1 3.4Å; T455-I459 PolarHBondContact O-N 2.66Å
456I82.4Confident71.9Confident103 Ų10394.8 Ų94.853%0.52851%0.508SS..Hα-helixtrans-62.3-47.3175.9-65.2165.8000110.2G452 T453 Y458 I459 I460G452-I456 PolarHBondContact O-N 2.73Å; T453-I456 PolarHBondContact O-N 3.48Å; I456-Y458 PolarHBondContact O-N 3.12Å; I456-I459 PolarHBondContact O-N 3.08Å; I456-I460 HydrophobicContact CG2-CD1 3.89Å; I456-I460 WeakPolarHBondContact O-CG1 3.35Å; I456-I460 PolarHBondContact O-N 3.31Å
457L80Confident74.4Confident40 Ų4094 Ų9421%0.20949%0.486CS..Hα-helixtrans-53.7-48.7172.5-101.857.6000112.7T453 K454 I459 I460 F461 W517 Y518T453-L457 HydrophobicContact CG2-CD1 4.39Å; T453-L457 WeakPolarHBondContact O-CD1 3.3Å; T453-L457 PolarHBondContact O-N 2.97Å; K454-L457 WeakPolarHBondContact O-CB 3.18Å; L457-I459 VanDerWaalsContact C-N 3.34Å; L457-I459 PolarHBondContact O-N 3.42Å; L457-I460 PolarHBondContact O-N 3.17Å; L457-F461 WeakPolarHBondContact O-CB 3.48Å; L457-F461 PolarHBondContact O-N 3.39Å; L457-W517 HydrophobicContact CD1-CH2 4.04Å; L457-W517 HydrophobicContact CD1-CZ3 3.88Å; L457-W517 HydrophobicContact CD2-CE3 4.38Å; L457-W517 HydrophobicContact CD2-CH2 3.73Å; L457-W517 HydrophobicContact CD2-CZ3 3.45Å; L457-W517 VanDerWaalsContact CD2-CZ3 3.45Å; L457-W517 HydrophobicContact CG-CH2 4.17Å; L457-W517 HydrophobicContact CG-CZ3 3.64Å; L457-Y518 HydrophobicContact CB-CD2 4.25Å; L457-Y518 HydrophobicContact CB-CE2 4.28Å; L457-Y518 HydrophobicContact CD2-CD2 4.26Å
458Y80.5Confident76.2Confident118 Ų11883.8 Ų83.846%0.46345%0.448SS..Hα-helixtrans-64.4-37.9-179.5-178.4-105.4000112.3K454 T455 I456 F461 L462K454-Y458 WeakPolarHBondContact O-CB 3.43Å; K454-Y458 PolarHBondContact O-N 2.96Å; T455-Y458 PolarHBondContact O-N 3.18Å; I456-Y458 PolarHBondContact O-N 3.12Å; Y458-F461 PolarHBondContact O-N 2.78Å; Y458-L462 HydrophobicContact CD1-CD1 3.92Å; Y458-L462 HydrophobicContact CE1-CD1 3.33Å; Y458-L462 HydrophobicContact CE1-CG 4.14Å; Y458-L462 WeakPolarHBondContact O-CB 3.41Å; Y458-L462 PolarHBondContact O-N 3.21Å
459I85.6Confident77.7Confident94 Ų9481.2 Ų81.248%0.48242%0.423SS..Hα-helixtrans-64.6-46.4173-68.7164.1000110.6T455 I456 L457 F461 L462 V463T455-I459 HydrophobicContact CG2-CD1 4.17Å; T455-I459 VanDerWaalsContact O-CG1 3.29Å; T455-I459 WeakPolarHBondContact O-CG1 3.4Å; T455-I459 PolarHBondContact O-N 2.66Å; I456-I459 PolarHBondContact O-N 3.08Å; L457-I459 VanDerWaalsContact C-N 3.34Å; L457-I459 PolarHBondContact O-N 3.42Å; I459-F461 VanDerWaalsContact C-N 3.33Å; I459-F461 PolarHBondContact O-N 3.32Å; I459-L462 PolarHBondContact O-N 2.81Å; I459-V463 HydrophobicContact CG2-CG2 4.35Å; I459-V463 WeakPolarHBondContact O-CG2 3.45Å; I459-V463 PolarHBondContact O-N 3.29Å
460I85.2Confident78.9Confident72 Ų7282.9 Ų82.937%0.36942%0.421SS..Hα-helixtrans-58.8-46.6176.2-66.6165.2000110I456 L457 L462 V463 S464 W510 L514I456-I460 HydrophobicContact CG2-CD1 3.89Å; I456-I460 WeakPolarHBondContact O-CG1 3.35Å; I456-I460 PolarHBondContact O-N 3.31Å; L457-I460 PolarHBondContact O-N 3.17Å; I460-L462 PolarHBondContact O-N 3.38Å; I460-V463 PolarHBondContact O-N 2.62Å; I460-S464 VanDerWaalsContact O-CB 3.28Å; I460-S464 WeakPolarHBondContact O-CB 3.25Å; I460-S464 PolarHBondContact O-N 2.76Å; I460-S464 PolarHBondContact O-OG 3.26Å; I460-W510 HydrophobicContact CG2-CH2 4.37Å; I460-L514 HydrophobicContact CG2-CD2 4.08Å
461F82.5Confident80Confident41 Ų4179.5 Ų79.518%0.1840%0.4CS..Hα-helixtrans-60.9-43.7177.5-176-94.9000112.6L457 Y458 I459 S464 F465 F511 L514 R515L457-F461 WeakPolarHBondContact O-CB 3.48Å; L457-F461 PolarHBondContact O-N 3.39Å; Y458-F461 PolarHBondContact O-N 2.78Å; I459-F461 VanDerWaalsContact C-N 3.33Å; I459-F461 PolarHBondContact O-N 3.32Å; F461-S464 PolarHBondContact O-N 2.89Å; F461-F465 WeakPolarHBondContact O-CB 3.24Å; F461-F465 PolarHBondContact O-N 2.75Å; F461-F511 AromaticContact CD2-CE2 3.86Å; F461-F511 HydrophobicContact CD2-CE2 3.86Å; F461-F511 HydrophobicContact CD2-CZ 4.26Å; F461-F511 HydrophobicContact CE1-CE2 4.48Å; F461-F511 HydrophobicContact CE1-CZ 4.25Å; F461-F511 HydrophobicContact CE2-CD2 4.43Å; F461-F511 HydrophobicContact CE2-CE1 4.33Å; F461-F511 AromaticContact CE2-CE2 3.51Å; F461-F511 HydrophobicContact CE2-CE2 3.51Å; F461-F511 AromaticContact CE2-CZ 3.45Å; F461-F511 HydrophobicContact CE2-CZ 3.45Å; F461-F511 VanDerWaalsContact CE2-CZ 3.45Å; F461-F511 HydrophobicContact CG-CE2 4.48Å; F461-F511 HydrophobicContact CZ-CE1 4.41Å; F461-F511 AromaticContact CZ-CE2 3.87Å; F461-F511 HydrophobicContact CZ-CE2 3.87Å; F461-F511 AromaticContact CZ-CZ 3.45Å; F461-F511 HydrophobicContact CZ-CZ 3.45Å; F461-F511 VanDerWaalsContact CZ-CZ 3.45Å; F461-L514 HydrophobicContact CD2-CD2 4.29Å; F461-R515 HydrophobicContact CE2-CB 4.03Å; F461-R515 HydrophobicContact CE2-CG 4.29Å
462L85.1Confident81.3Confident67 Ų6772.9 Ų72.935%0.35137%0.374SS..Hα-helixtrans-63.4-47.2175.7-90.9174.5000112.7Y458 I459 I460 S464 F465 L466Y458-L462 HydrophobicContact CD1-CD1 3.92Å; Y458-L462 HydrophobicContact CE1-CD1 3.33Å; Y458-L462 HydrophobicContact CE1-CG 4.14Å; Y458-L462 WeakPolarHBondContact O-CB 3.41Å; Y458-L462 PolarHBondContact O-N 3.21Å; I459-L462 PolarHBondContact O-N 2.81Å; I460-L462 PolarHBondContact O-N 3.38Å; L462-S464 VanDerWaalsContact C-N 3.28Å; L462-S464 PolarHBondContact O-N 3.07Å; L462-F465 PolarHBondContact O-N 3.23Å; L462-L466 WeakPolarHBondContact O-CB 3.42Å; L462-L466 VanDerWaalsContact O-CG 3.3Å; L462-L466 WeakPolarHBondContact O-CG 3.25Å; L462-L466 PolarHBondContact O-N 3.14Å
463V87.4Confident81.8Confident81 Ų8174.9 Ų74.949%0.49137%0.373SS..Hα-helixtrans-61-42.4177.2171.30000110I459 I460 L466 V467I459-V463 HydrophobicContact CG2-CG2 4.35Å; I459-V463 WeakPolarHBondContact O-CG2 3.45Å; I459-V463 PolarHBondContact O-N 3.29Å; I460-V463 PolarHBondContact O-N 2.62Å; V463-L466 PolarHBondContact O-N 2.9Å; V463-V467 HydrophobicContact CG1-CG2 4.5Å; V463-V467 WeakPolarHBondContact O-CG2 3.38Å; V463-V467 PolarHBondContact O-N 3.03Å
464S82.7Confident82.2Confident5 Ų575.3 Ų75.34%0.03538%0.376CS..Hα-helixtrans-62.2-48.9177.2-54.80000112I460 F461 L462 L466 V467 L468 F507 W510I460-S464 VanDerWaalsContact O-CB 3.28Å; I460-S464 WeakPolarHBondContact O-CB 3.25Å; I460-S464 PolarHBondContact O-N 2.76Å; I460-S464 PolarHBondContact O-OG 3.26Å; F461-S464 PolarHBondContact O-N 2.89Å; L462-S464 VanDerWaalsContact C-N 3.28Å; L462-S464 PolarHBondContact O-N 3.07Å; S464-L466 VanDerWaalsContact C-N 3.3Å; S464-L466 PolarHBondContact O-N 3.01Å; S464-V467 PolarHBondContact O-N 3.4Å; S464-L468 PolarHBondContact O-N 2.81Å; S464-F507 VanDerWaalsContact O-CE1 3.32Å; S464-F507 WeakPolarHBondContact O-CE1 3.46Å; S464-W510 WeakPolarHBondContact OG-CH2 3.36Å; S464-W510 WeakPolarHBondContact OG-CZ3 3.08Å
465F83.1Confident82.3Confident100 Ų10070.3 Ų70.344%0.43935%0.354SS..Hα-helixtrans-58.9-42.2176.1179.8-101.1000111.7F461 L462 F469 F511F461-F465 WeakPolarHBondContact O-CB 3.24Å; F461-F465 PolarHBondContact O-N 2.75Å; L462-F465 PolarHBondContact O-N 3.23Å; F465-F469 WeakPolarHBondContact O-CB 3.21Å; F465-F469 PolarHBondContact O-N 3.45Å; F465-F511 HydrophobicContact CB-CE2 3.87Å; F465-F511 HydrophobicContact CB-CZ 4.1Å; F465-F511 HydrophobicContact CD2-CE2 4.43Å; F465-F511 AromaticContact CD2-CZ 3.84Å; F465-F511 HydrophobicContact CD2-CZ 3.84Å; F465-F511 HydrophobicContact CG-CZ 4.47Å
466L87.4Confident82.1Confident89 Ų8972.7 Ų72.747%0.46635%0.353SS..Hα-helixtrans-64.6-42.7176-72.9171.1000112.3L462 V463 S464 F469 F470L462-L466 WeakPolarHBondContact O-CB 3.42Å; L462-L466 VanDerWaalsContact O-CG 3.3Å; L462-L466 WeakPolarHBondContact O-CG 3.25Å; L462-L466 PolarHBondContact O-N 3.14Å; V463-L466 PolarHBondContact O-N 2.9Å; S464-L466 VanDerWaalsContact C-N 3.3Å; S464-L466 PolarHBondContact O-N 3.01Å; L466-F469 PolarHBondContact O-N 3.17Å; L466-F470 WeakPolarHBondContact O-CB 3.37Å; L466-F470 WeakPolarHBondContact O-CD2 3.28Å; L466-F470 PolarHBondContact O-N 2.93Å
467V84.9Confident81.7Confident73 Ų7370.3 Ų70.344%0.44234%0.34SS..Hα-helixtrans-63.3-47177.1168.60000111.2V463 S464 F469 F470 S471 F507V463-V467 HydrophobicContact CG1-CG2 4.5Å; V463-V467 WeakPolarHBondContact O-CG2 3.38Å; V463-V467 PolarHBondContact O-N 3.03Å; S464-V467 PolarHBondContact O-N 3.4Å; V467-F469 VanDerWaalsContact C-N 3.34Å; V467-F469 PolarHBondContact O-N 3.06Å; V467-F470 PolarHBondContact O-N 3.47Å; V467-S471 WeakPolarHBondContact O-CB 3.48Å; V467-S471 PolarHBondContact O-N 3.31Å; V467-F507 HydrophobicContact CB-CE1 4.25Å; V467-F507 HydrophobicContact CB-CZ 3.91Å; V467-F507 HydrophobicContact CG1-CE1 4.11Å; V467-F507 HydrophobicContact CG1-CE2 3.96Å; V467-F507 HydrophobicContact CG1-CZ 3.7Å
468L82.2Confident81.2Confident16 Ų1675 Ų758%0.08436%0.356CS..Hα-helixtrans-59.7-46.7175.2-178.368.6000110.8S464 S471 I472 F507 F508 F511S464-L468 PolarHBondContact O-N 2.81Å; L468-S471 PolarHBondContact O-N 2.91Å; L468-I472 HydrophobicContact CD1-CD1 4.18Å; L468-I472 HydrophobicContact CG-CD1 4Å; L468-I472 WeakPolarHBondContact O-CG1 3.37Å; L468-I472 PolarHBondContact O-N 3.29Å; L468-F507 HydrophobicContact CB-CD1 4.01Å; L468-F507 HydrophobicContact CB-CE1 4.04Å; L468-F507 HydrophobicContact CD1-CD1 4.19Å; L468-F508 HydrophobicContact CD1-CB 4.35Å; L468-F508 HydrophobicContact CD2-CD2 4.11Å; L468-F511 HydrophobicContact CD2-CD1 4.05Å; L468-F511 HydrophobicContact CD2-CG 4.25Å
469F82.2Confident80.6Confident56 Ų5673.9 Ų73.925%0.24636%0.355CS..Hα-helixtrans-60.6-48.3178.7-170.5-77.6000112F234 F465 L466 V467 S471 I472 Y473F234-F469 HydrophobicContact CB-CE1 4.41Å; F234-F469 HydrophobicContact CB-CZ 4.11Å; F234-F469 HydrophobicContact CD1-CD1 4.2Å; F234-F469 AromaticContact CD1-CE1 3.12Å; F234-F469 HydrophobicContact CD1-CE1 3.12Å; F234-F469 HydrophobicContact CD1-CE2 4.38Å; F234-F469 AromaticContact CD1-CZ 3.26Å; F234-F469 HydrophobicContact CD1-CZ 3.26Å; F234-F469 HydrophobicContact CD2-CE1 4.26Å; F234-F469 HydrophobicContact CD2-CE2 4.17Å; F234-F469 AromaticContact CD2-CZ 3.49Å; F234-F469 HydrophobicContact CD2-CZ 3.49Å; F234-F469 VanDerWaalsContact CD2-CZ 3.49Å; F234-F469 AromaticContact CE1-CD1 3.92Å; F234-F469 HydrophobicContact CE1-CD1 3.92Å; F234-F469 AromaticContact CE1-CE1 3.21Å; F234-F469 HydrophobicContact CE1-CE1 3.21Å; F234-F469 HydrophobicContact CE1-CE2 4.11Å; F234-F469 AromaticContact CE1-CZ 3.34Å; F234-F469 HydrophobicContact CE1-CZ 3.34Å; F234-F469 HydrophobicContact CE2-CE1 4.32Å; F234-F469 AromaticContact CE2-CE2 3.88Å; F234-F469 HydrophobicContact CE2-CE2 3.88Å; F234-F469 AromaticContact CE2-CZ 3.56Å; F234-F469 HydrophobicContact CE2-CZ 3.56Å; F234-F469 AromaticContact CG-CE1 3.68Å; F234-F469 HydrophobicContact CG-CE1 3.68Å; F234-F469 HydrophobicContact CG-CE2 4.39Å; F234-F469 AromaticContact CG-CZ 3.31Å; F234-F469 HydrophobicContact CG-CZ 3.31Å; F234-F469 HydrophobicContact CZ-CD1 4.49Å; F234-F469 AromaticContact CZ-CE1 3.83Å; F234-F469 HydrophobicContact CZ-CE1 3.83Å; F234-F469 AromaticContact CZ-CE2 3.84Å; F234-F469 HydrophobicContact CZ-CE2 3.84Å; F234-F469 AromaticContact CZ-CZ 3.48Å; F234-F469 HydrophobicContact CZ-CZ 3.48Å; F234-F469 VanDerWaalsContact CZ-CZ 3.48Å; F465-F469 WeakPolarHBondContact O-CB 3.21Å; F465-F469 PolarHBondContact O-N 3.45Å; L466-F469 PolarHBondContact O-N 3.17Å; V467-F469 VanDerWaalsContact C-N 3.34Å; V467-F469 PolarHBondContact O-N 3.06Å; F469-S471 VanDerWaalsContact C-N 3.33Å; F469-S471 PolarHBondContact O-N 2.84Å; F469-I472 PolarHBondContact O-N 2.83Å; F469-Y473 VanDerWaalsContact O-CB 3.3Å; F469-Y473 WeakPolarHBondContact O-CB 3.32Å; F469-Y473 PolarHBondContact O-N 3.4Å
470F82.9Confident79.7Confident127 Ų12773.2 Ų73.256%0.55735%0.352SS*.Hα-helixtrans-63.5-37.6177.5-93.5-75.7000112.1L466 V467 Y473 V474L466-F470 WeakPolarHBondContact O-CB 3.37Å; L466-F470 WeakPolarHBondContact O-CD2 3.28Å; L466-F470 PolarHBondContact O-N 2.93Å; V467-F470 PolarHBondContact O-N 3.47Å; F470-Y473 PolarHBondContact O-N 2.97Å; F470-V474 WeakPolarHBondContact O-CB 3.39Å; F470-V474 WeakPolarHBondContact O-CG2 3.02Å; F470-V474 PolarHBondContact O-N 3.39Å
471S79.4Confident78.8Confident29 Ų2973.4 Ų73.420%0.20335%0.353CS..Hα-helixtrans-62.8-46.8176-174.80000112V467 L468 F469 V474 K475 Q504V467-S471 WeakPolarHBondContact O-CB 3.48Å; V467-S471 PolarHBondContact O-N 3.31Å; L468-S471 PolarHBondContact O-N 2.91Å; F469-S471 VanDerWaalsContact C-N 3.33Å; F469-S471 PolarHBondContact O-N 2.84Å; S471-V474 PolarHBondContact O-N 3.13Å; S471-K475 PolarHBondContact O-N 3.41Å; S471-Q504 PolarHBondContact O-NE2 3.48Å; S471-Q504 VanDerWaalsContact O-NE2 3.1Å; S471-Q504 VanDerWaalsContact OG-CG 3.24Å; S471-Q504 WeakPolarHBondContact OG-CG 3.39Å; S471-Q504 PolarHBondContact OG-NE2 3.43Å
472I80.6Confident78Confident86 Ų8676.4 Ų76.444%0.44136%0.364SS..Hα-helixtrans-64-44.1176.2-65.7166.5000110.6L468 F469 K475 R476L468-I472 HydrophobicContact CD1-CD1 4.18Å; L468-I472 HydrophobicContact CG-CD1 4Å; L468-I472 WeakPolarHBondContact O-CG1 3.37Å; L468-I472 PolarHBondContact O-N 3.29Å; F469-I472 PolarHBondContact O-N 2.83Å; I472-K475 PolarHBondContact O-N 2.84Å; I472-R476 WeakPolarHBondContact O-CB 3.37Å; I472-R476 PolarHBondContact O-N 2.87Å
473Y79.6Confident77Confident72 Ų7274.6 Ų74.628%0.28236%0.361SS..Hα-helixtrans-60.8-45.3177.5174.6-104000112.3F234 F469 F470 R476 H477F234-Y473 HydrophobicContact CB-CD2 4.24Å; F234-Y473 HydrophobicContact CB-CE2 4.37Å; F234-Y473 VanDerWaalsContact O-CE2 3.29Å; F234-Y473 WeakPolarHBondContact O-CE2 3.38Å; F469-Y473 VanDerWaalsContact O-CB 3.3Å; F469-Y473 WeakPolarHBondContact O-CB 3.32Å; F469-Y473 PolarHBondContact O-N 3.4Å; F470-Y473 PolarHBondContact O-N 2.97Å; Y473-R476 PolarHBondContact O-N 3.37Å; Y473-H477 VanDerWaalsContact O-CB 3.27Å; Y473-H477 WeakPolarHBondContact O-CB 3.39Å; Y473-H477 PolarHBondContact O-N 3.26Å
474V78.3Confident75.8Confident61 Ų6176.1 Ų76.137%0.3737%0.373SS..Hα-helixtrans-62.5-48.4177.2167.70000110.2F470 S471 R476 H477 Y478F470-V474 WeakPolarHBondContact O-CB 3.39Å; F470-V474 WeakPolarHBondContact O-CG2 3.02Å; F470-V474 PolarHBondContact O-N 3.39Å; S471-V474 PolarHBondContact O-N 3.13Å; V474-R476 PolarHBondContact O-N 3.25Å; V474-H477 PolarHBondContact O-N 2.98Å; V474-Y478 HydrophobicContact CG1-CD2 3.66Å; V474-Y478 HydrophobicContact CG1-CE2 3.79Å; V474-Y478 WeakPolarHBondContact O-CD2 3.33Å; V474-Y478 PolarHBondContact O-N 2.95Å
475K76.8Confident74.7Confident61 Ų6180.9 Ų80.927%0.26540%0.398SS..Hα-helixtrans-56.5-50.8176.9179.3175.3172.3-171.40111.8S471 I472 H477 Y478 E479 L500S471-K475 PolarHBondContact O-N 3.41Å; I472-K475 PolarHBondContact O-N 2.84Å; K475-H477 VanDerWaalsContact C-N 3.33Å; K475-H477 PolarHBondContact O-N 3.49Å; K475-Y478 PolarHBondContact O-N 2.82Å; K475-Y478 VanDerWaalsContact O-N 3.13Å; K475-E479 WeakPolarHBondContact CE-OE1 3.47Å; K475-E479 WeakPolarHBondContact CG-OE1 3.32Å; K475-E479 WeakPolarHBondContact O-CG 3.47Å; K475-E479 PolarHBondContact O-N 3.14Å; K475-L500 HydrophobicContact CB-CD2 4.1Å
476R76.2Confident73.6Confident136 Ų13678 Ų7851%0.51339%0.386SS..Hα-helixtrans-63.1-36.2179.2-172.4169.2-179135.41.5112.8I472 Y473 V474 L480I472-R476 WeakPolarHBondContact O-CB 3.37Å; I472-R476 PolarHBondContact O-N 2.87Å; Y473-R476 PolarHBondContact O-N 3.37Å; V474-R476 PolarHBondContact O-N 3.25Å; R476-L480 HydrophobicContact CG-CD1 3.77Å; R476-L480 HydrophobicContact CG-CG 4.48Å; R476-L480 WeakPolarHBondContact O-CB 3.32Å; R476-L480 WeakPolarHBondContact O-CG 3.2Å; R476-L480 PolarHBondContact O-N 2.89Å
477H73.4Confident72.5Confident53 Ų5379 Ų7925%0.24540%0.395CS..Hα-helixtrans-69.8-36.7174.3-170.5-45.7000112Y473 V474 K475 D481Y473-H477 VanDerWaalsContact O-CB 3.27Å; Y473-H477 WeakPolarHBondContact O-CB 3.39Å; Y473-H477 PolarHBondContact O-N 3.26Å; V474-H477 PolarHBondContact O-N 2.98Å; K475-H477 VanDerWaalsContact C-N 3.33Å; K475-H477 PolarHBondContact O-N 3.49Å; H477-D481 IonicContact CE1-OD2 3.05Å; H477-D481 PolarHBondContact CE1-OD2 3Å; H477-D481 IonicContact ND1-OD2 2.72Å; H477-D481 IonicContact NE2-OD2 3.7Å; H477-D481 WeakPolarHBondContact O-CB 3.47Å; H477-D481 PolarHBondContact O-N 3.34Å; H477-D481 VanDerWaalsContact O-N 3.07Å
478Y69.4Low71.5Confident139 Ų13980.3 Ų80.355%0.54541%0.408SS..Hα-helixtrans-68.5-40.1174.7-93-80.3000112.1V474 K475 Y482V474-Y478 HydrophobicContact CG1-CD2 3.66Å; V474-Y478 HydrophobicContact CG1-CE2 3.79Å; V474-Y478 WeakPolarHBondContact O-CD2 3.33Å; V474-Y478 PolarHBondContact O-N 2.95Å; K475-Y478 PolarHBondContact O-N 2.82Å; K475-Y478 VanDerWaalsContact O-N 3.13Å; Y478-Y482 AromaticContact CD1-CD2 3.94Å; Y478-Y482 HydrophobicContact CD1-CD2 3.94Å; Y478-Y482 HydrophobicContact CD1-CE2 4.19Å; Y478-Y482 HydrophobicContact CE1-CD2 4.4Å; Y478-Y482 HydrophobicContact CE1-CE2 4.25Å; Y478-Y482 WeakPolarHBondContact O-CB 3.49Å; Y478-Y482 PolarHBondContact O-N 3.41Å
479E68.4Low70.7Confident94 Ų9483.5 Ų83.544%0.43943%0.425SS..Hα-helixtrans-69.7-39.7179.1-72.4165.3172.400112.3K475 G483K475-E479 WeakPolarHBondContact CE-OE1 3.47Å; K475-E479 WeakPolarHBondContact CG-OE1 3.32Å; K475-E479 WeakPolarHBondContact O-CG 3.47Å; K475-E479 PolarHBondContact O-N 3.14Å; E479-G483 WeakPolarHBondContact O-CA 3.18Å; E479-G483 PolarHBondContact O-N 2.96Å
480L66.5Low69.7Low80 Ų8089.8 Ų89.842%0.41945%0.446SS..Hα-helixtrans-81-57-179.4-70.1169000114R476 Y482R476-L480 HydrophobicContact CG-CD1 3.77Å; R476-L480 HydrophobicContact CG-CG 4.48Å; R476-L480 WeakPolarHBondContact O-CB 3.32Å; R476-L480 WeakPolarHBondContact O-CG 3.2Å; R476-L480 PolarHBondContact O-N 2.89Å; L480-Y482 VanDerWaalsContact C-N 3.3Å; L480-Y482 PolarHBondContact O-N 3.07Å
481D65.8Low68.9Low76 Ų7688.4 Ų88.441%0.40645%0.453SS..Hα-helixtrans-71.7-24.3-172.3-91.221.2000112.6R236 H477R236-D481 IonicContact CZ-OD2 3.78Å; R236-D481 IonicContact NH1-OD2 3.82Å; R236-D481 PolarHBondContact NH1-OD2 3.08Å; H477-D481 IonicContact CE1-OD2 3.05Å; H477-D481 PolarHBondContact CE1-OD2 3Å; H477-D481 IonicContact ND1-OD2 2.72Å; H477-D481 IonicContact NE2-OD2 3.7Å; H477-D481 WeakPolarHBondContact O-CB 3.47Å; H477-D481 PolarHBondContact O-N 3.34Å; H477-D481 VanDerWaalsContact O-N 3.07Å
482Y65.8Low68.5Low104 Ų10491.9 Ų91.941%0.40847%0.473SS..THydrogen-bonded Turntrans-111.54.4-178.9-59.8-85.9000114.4Y478 L480 P484 L485 M486Y478-Y482 AromaticContact CD1-CD2 3.94Å; Y478-Y482 HydrophobicContact CD1-CD2 3.94Å; Y478-Y482 HydrophobicContact CD1-CE2 4.19Å; Y478-Y482 HydrophobicContact CE1-CD2 4.4Å; Y478-Y482 HydrophobicContact CE1-CE2 4.25Å; Y478-Y482 WeakPolarHBondContact O-CB 3.49Å; Y478-Y482 PolarHBondContact O-N 3.41Å; L480-Y482 VanDerWaalsContact C-N 3.3Å; L480-Y482 PolarHBondContact O-N 3.07Å; Y482-P484 VanDerWaalsContact C-N 3.33Å; Y482-P484 VanDerWaalsContact O-N 3.14Å; Y482-L485 HydrophobicContact CD1-CD1 4.13Å; Y482-L485 CarbonylContact O-C 3.57Å; Y482-L485 WeakPolarHBondContact O-CA 3.45Å; Y482-L485 WeakPolarHBondContact O-CB 3.42Å; Y482-L485 PolarHBondContact O-N 2.89Å; Y482-M486 WeakPolarHBondContact O-CB 3.46Å; Y482-M486 WeakPolarHBondContact O-CG 3.41Å; Y482-M486 PolarHBondContact O-N 3.4Å
483G64.1Low68Low28 Ų2888.8 Ų88.829%0.28946%0.46SS..Hα-helixtrans-43-48.8179.400000114.9E479 L485 M486 V487E479-G483 WeakPolarHBondContact O-CA 3.18Å; E479-G483 PolarHBondContact O-N 2.96Å; G483-L485 PolarHBondContact O-N 3.29Å; G483-M486 WeakPolarHBondContact O-CB 3.49Å; G483-M486 PolarHBondContact O-N 3.15Å; G483-V487 PolarHBondContact O-N 3.43Å
484P61.3Low67.5Low114 Ų11487 Ų8774%0.7446%0.461SS*.Hα-helixtrans-65.1-35176.5-23.435000114.6Y482Y482-P484 VanDerWaalsContact C-N 3.33Å; Y482-P484 VanDerWaalsContact O-N 3.14Å
485L61Low67.4Low105 Ų10587.4 Ų87.455%0.5546%0.464SS..Hα-helixtrans-74.9-34.4176.1-104.9155000111.7Y482 G483 V487 S488 L489Y482-L485 HydrophobicContact CD1-CD1 4.13Å; Y482-L485 CarbonylContact O-C 3.57Å; Y482-L485 WeakPolarHBondContact O-CA 3.45Å; Y482-L485 WeakPolarHBondContact O-CB 3.42Å; Y482-L485 PolarHBondContact O-N 2.89Å; G483-L485 PolarHBondContact O-N 3.29Å; L485-V487 PolarHBondContact O-N 3.07Å; L485-S488 PolarHBondContact O-N 2.87Å; L485-S488 VanDerWaalsContact O-N 3.11Å; L485-L489 PolarHBondContact O-N 3.28Å
486M60.5Low67.3Low40 Ų4088.8 Ų88.820%0.19748%0.481CS..Hα-helixtrans-66.6-20.6178.2-80.7-69.3-64.900113.5Y482 G483 S488 L489 R490 A493 I497Y482-M486 WeakPolarHBondContact O-CB 3.46Å; Y482-M486 WeakPolarHBondContact O-CG 3.41Å; Y482-M486 PolarHBondContact O-N 3.4Å; G483-M486 WeakPolarHBondContact O-CB 3.49Å; G483-M486 PolarHBondContact O-N 3.15Å; M486-S488 VanDerWaalsContact C-N 3.28Å; M486-S488 PolarHBondContact O-N 3.31Å; M486-L489 PolarHBondContact O-N 3.21Å; M486-R490 VanDerWaalsContact O-CA 3.28Å; M486-R490 WeakPolarHBondContact O-CA 3.32Å; M486-R490 WeakPolarHBondContact O-CB 3.3Å; M486-R490 WeakPolarHBondContact O-CG 3.5Å; M486-R490 PolarHBondContact O-N 2.86Å; M486-A493 HydrophobicContact CE-CB 3.7Å; M486-A493 HydrophobicContact SD-CB 3.77Å; M486-I497 HydrophobicContact CE-CD1 3.38Å
487V63.4Low67.2Low108 Ų10885 Ų8566%0.65547%0.47SS*.Hα-helixtrans-62.5-38.2170.3179.80000110.8G483 L485G483-V487 PolarHBondContact O-N 3.43Å; L485-V487 PolarHBondContact O-N 3.07Å
488S64.3Low67.4Low101 Ų10190.5 Ų90.571%0.70649%0.489SS*.Hα-helixtrans-78.9-35.5177.3-178.50000112.8L485 M486L485-S488 PolarHBondContact O-N 2.87Å; L485-S488 VanDerWaalsContact O-N 3.11Å; M486-S488 VanDerWaalsContact C-N 3.28Å; M486-S488 PolarHBondContact O-N 3.31Å
489L64.8Low67.9Low84 Ų8487.6 Ų87.644%0.4449%0.485SS..Hα-helixtrans-93.28.1-177.4-71166000114.4L485 M486 S491 T492 A493L485-L489 PolarHBondContact O-N 3.28Å; M486-L489 PolarHBondContact O-N 3.21Å; L489-S491 VanDerWaalsContact C-N 3.3Å; L489-S491 PolarHBondContact O-N 3.31Å; L489-T492 PolarHBondContact O-N 3.43Å; L489-T492 VanDerWaalsContact O-N 3.07Å; L489-A493 WeakPolarHBondContact O-CB 3.46Å; L489-A493 PolarHBondContact O-N 3.06Å
490R61Low68.2Low187 Ų18785.9 Ų85.971%0.70648%0.479SS*.Hα-helixtrans-59-36.2-167.2-136.1177.2-171-175.12.9113.7M486 A494M486-R490 VanDerWaalsContact O-CA 3.28Å; M486-R490 WeakPolarHBondContact O-CA 3.32Å; M486-R490 WeakPolarHBondContact O-CB 3.3Å; M486-R490 WeakPolarHBondContact O-CG 3.5Å; M486-R490 PolarHBondContact O-N 2.86Å; R490-A494 WeakPolarHBondContact O-CB 3.36Å; R490-A494 PolarHBondContact O-N 2.86Å
491S65.9Low68.8Low99 Ų9982.8 Ų82.869%0.69247%0.466SS*.Hα-helixtrans-68.3-44.317649.70000112.4L489L489-S491 VanDerWaalsContact C-N 3.3Å; L489-S491 PolarHBondContact O-N 3.31Å
492T71.8Confident69.5Low101 Ų10187.6 Ų87.662%0.6248%0.48SS*.Hα-helixtrans-75.6-35.5-176.1-37.70000112.8L489 P495L489-T492 PolarHBondContact O-N 3.43Å; L489-T492 VanDerWaalsContact O-N 3.07Å; T492-P495 WeakPolarHBondContact O-CD 3.29Å
493A69.5Low70.1Confident22 Ų2290.7 Ų90.718%0.18249%0.492CS..Hα-helixtrans-86.6-22.8-176.500000114.2M486 L489 P495 C496 I497M486-A493 HydrophobicContact CE-CB 3.7Å; M486-A493 HydrophobicContact SD-CB 3.77Å; L489-A493 WeakPolarHBondContact O-CB 3.46Å; L489-A493 PolarHBondContact O-N 3.06Å; A493-P495 VanDerWaalsContact C-CD 3.48Å; A493-C496 PolarHBondContact O-N 3.16Å; A493-I497 PolarHBondContact O-N 3.13Å
494A69.6Low70.7Confident35 Ų3590.2 Ų90.229%0.28948%0.482SS..Hα-helixtrans-58.9-35-176.800000115.7R490 R498R490-A494 WeakPolarHBondContact O-CB 3.36Å; R490-A494 PolarHBondContact O-N 2.86Å; A494-R498 PolarHBondContact O-N 3.27Å; A494-R498 VanDerWaalsContact O-N 3.12Å
495P76.5Confident71.6Confident69 Ų6989.6 Ų89.645%0.44847%0.473SS..Hα-helixtrans-63.9-47172.7-22.234.5000111.8T492 A493 I497 R498 V499T492-P495 WeakPolarHBondContact O-CD 3.29Å; A493-P495 VanDerWaalsContact C-CD 3.48Å; P495-I497 PolarHBondContact O-N 3.1Å; P495-R498 PolarHBondContact O-N 3.22Å; P495-V499 WeakPolarHBondContact O-CG2 3.14Å; P495-V499 PolarHBondContact O-N 2.86Å
496C75Confident72.6Confident90 Ų9087.4 Ų87.461%0.60847%0.47SS*.Hα-helixtrans-62.1-41.5-179.4-59.30000112.2A493 V499 L500A493-C496 PolarHBondContact O-N 3.16Å; C496-V499 PolarHBondContact O-N 2.86Å; C496-L500 WeakPolarHBondContact O-CB 3.17Å; C496-L500 PolarHBondContact O-N 2.96Å
497I73.3Confident73.5Confident56 Ų5688.4 Ų88.429%0.28747%0.473SS..Hα-helixtrans-67.5-38.7176.9-66.6175.2000111.3M486 A493 P495 L500 G501M486-I497 HydrophobicContact CE-CD1 3.38Å; A493-I497 PolarHBondContact O-N 3.13Å; P495-I497 PolarHBondContact O-N 3.1Å; I497-L500 PolarHBondContact O-N 2.79Å; I497-G501 PolarHBondContact O-N 3.42Å
498R77.2Confident74.3Confident169 Ų16988 Ų8864%0.63846%0.463SS*.Hα-helixtrans-63.1-46173.4-85.2-171-85.6-174.8-7.4112A494 P495 L500 G501 Y502A494-R498 PolarHBondContact O-N 3.27Å; A494-R498 VanDerWaalsContact O-N 3.12Å; P495-R498 PolarHBondContact O-N 3.22Å; R498-L500 PolarHBondContact O-N 3.02Å; R498-G501 WeakPolarHBondContact O-CA 3.39Å; R498-G501 PolarHBondContact O-N 2.62Å; R498-G501 VanDerWaalsContact O-N 3.14Å; R498-Y502 WeakPolarHBondContact O-CD2 3.16Å; R498-Y502 PolarHBondContact O-N 3.47Å
499V79.4Confident75.2Confident77 Ų7788.2 Ų88.247%0.46746%0.456SS..Hα-helixtrans-59.6-45175.8170.90000111.1P495 C496 G501 Y502 Y503P495-V499 WeakPolarHBondContact O-CG2 3.14Å; P495-V499 PolarHBondContact O-N 2.86Å; C496-V499 PolarHBondContact O-N 2.86Å; V499-G501 VanDerWaalsContact C-N 3.29Å; V499-G501 PolarHBondContact O-N 2.65Å; V499-Y502 PolarHBondContact O-N 2.83Å; V499-Y503 HydrophobicContact CG1-CD2 3.77Å; V499-Y503 HydrophobicContact CG1-CE2 3.49Å; V499-Y503 VanDerWaalsContact CG1-CE2 3.49Å; V499-Y503 WeakPolarHBondContact O-CD2 3.28Å; V499-Y503 PolarHBondContact O-N 2.85Å
500L76.3Confident75.9Confident59 Ų5989.9 Ų89.931%0.30946%0.457SS..Hα-helixtrans-60.3-39.2174.8-16971.3000111.9K475 C496 I497 R498 Y503 Q504K475-L500 HydrophobicContact CB-CD2 4.1Å; C496-L500 WeakPolarHBondContact O-CB 3.17Å; C496-L500 PolarHBondContact O-N 2.96Å; I497-L500 PolarHBondContact O-N 2.79Å; R498-L500 PolarHBondContact O-N 3.02Å; L500-Y503 PolarHBondContact O-N 2.93Å; L500-Q504 WeakPolarHBondContact O-CB 3.29Å; L500-Q504 VanDerWaalsContact O-CG 3.3Å; L500-Q504 WeakPolarHBondContact O-CG 3.25Å; L500-Q504 PolarHBondContact O-N 2.83Å
501G78.2Confident76.9Confident15 Ų1581.6 Ų81.616%0.15543%0.426CS..Hα-helixtrans-62.4-43.3173.900000113.6I497 R498 V499 Q504 N505I497-G501 PolarHBondContact O-N 3.42Å; R498-G501 WeakPolarHBondContact O-CA 3.39Å; R498-G501 PolarHBondContact O-N 2.62Å; R498-G501 VanDerWaalsContact O-N 3.14Å; V499-G501 VanDerWaalsContact C-N 3.29Å; V499-G501 PolarHBondContact O-N 2.65Å; G501-Q504 PolarHBondContact O-N 2.71Å; G501-N505 PolarHBondContact O-N 3.03Å
502Y80Confident77.5Confident176 Ų17679.5 Ų79.569%0.6941%0.407SS*.Hα-helixtrans-60.8-45.1174.1-78.2-69.7000112R498 V499 N505 A506R498-Y502 WeakPolarHBondContact O-CD2 3.16Å; R498-Y502 PolarHBondContact O-N 3.47Å; V499-Y502 PolarHBondContact O-N 2.83Å; Y502-N505 PolarHBondContact O-N 3.1Å; Y502-A506 WeakPolarHBondContact O-CB 3.29Å; Y502-A506 PolarHBondContact O-N 3.04Å
503Y78.1Confident78Confident169 Ų16978.5 Ų78.566%0.66340%0.404SS*.Hα-helixtrans-64.8-38175.3-75.4-63.5000112.6V499 L500 F507V499-Y503 HydrophobicContact CG1-CD2 3.77Å; V499-Y503 HydrophobicContact CG1-CE2 3.49Å; V499-Y503 VanDerWaalsContact CG1-CE2 3.49Å; V499-Y503 WeakPolarHBondContact O-CD2 3.28Å; V499-Y503 PolarHBondContact O-N 2.85Å; L500-Y503 PolarHBondContact O-N 2.93Å; Y503-F507 WeakPolarHBondContact O-CB 3.49Å; Y503-F507 PolarHBondContact O-N 3.43Å
504Q77.8Confident78.4Confident18 Ų1878.8 Ų78.88%0.08440%0.402CS..Hα-helixtrans-61.8-45.6175.3-80.3175.3-10.300112S471 L500 G501 F507 F508S471-Q504 PolarHBondContact O-NE2 3.48Å; S471-Q504 VanDerWaalsContact O-NE2 3.1Å; S471-Q504 VanDerWaalsContact OG-CG 3.24Å; S471-Q504 WeakPolarHBondContact OG-CG 3.39Å; S471-Q504 PolarHBondContact OG-NE2 3.43Å; L500-Q504 WeakPolarHBondContact O-CB 3.29Å; L500-Q504 VanDerWaalsContact O-CG 3.3Å; L500-Q504 WeakPolarHBondContact O-CG 3.25Å; L500-Q504 PolarHBondContact O-N 2.83Å; G501-Q504 PolarHBondContact O-N 2.71Å; Q504-F507 PolarHBondContact O-N 3.25Å; Q504-F508 VanDerWaalsContact O-CB 3.22Å; Q504-F508 WeakPolarHBondContact O-CB 3.28Å; Q504-F508 PolarHBondContact O-N 2.69Å
505N81Confident78.8Confident101 Ų10183.2 Ų83.254%0.5441%0.412SS..Hα-helixtrans-65.3-51178.4-68.1-4.6000111.2G501 Y502 F507 F508 D509G501-N505 PolarHBondContact O-N 3.03Å; Y502-N505 PolarHBondContact O-N 3.1Å; N505-F507 VanDerWaalsContact C-N 3.27Å; N505-F507 PolarHBondContact O-N 3.1Å; N505-F508 WeakPolarHBondContact O-CB 3.37Å; N505-F508 PolarHBondContact O-N 3.25Å; N505-D509 PolarHBondContact O-N 2.95Å
506A81.3Confident78.9Confident60 Ų6083.1 Ų83.150%0.49641%0.413SS..Hα-helixtrans-59.2-37.8178.800000112.7Y502 W510Y502-A506 WeakPolarHBondContact O-CB 3.29Å; Y502-A506 PolarHBondContact O-N 3.04Å; A506-W510 WeakPolarHBondContact O-CB 3.47Å; A506-W510 PolarHBondContact O-N 3.42Å
507F79.7Confident79.1Confident60 Ų6086.2 Ų86.226%0.26341%0.411SS..Hα-helixtrans-74.5-32.4176.4-160.3-82.7000112.6S464 V467 L468 Y503 Q504 N505 W510 F511S464-F507 VanDerWaalsContact O-CE1 3.32Å; S464-F507 WeakPolarHBondContact O-CE1 3.46Å; V467-F507 HydrophobicContact CB-CE1 4.25Å; V467-F507 HydrophobicContact CB-CZ 3.91Å; V467-F507 HydrophobicContact CG1-CE1 4.11Å; V467-F507 HydrophobicContact CG1-CE2 3.96Å; V467-F507 HydrophobicContact CG1-CZ 3.7Å; L468-F507 HydrophobicContact CB-CD1 4.01Å; L468-F507 HydrophobicContact CB-CE1 4.04Å; L468-F507 HydrophobicContact CD1-CD1 4.19Å; Y503-F507 WeakPolarHBondContact O-CB 3.49Å; Y503-F507 PolarHBondContact O-N 3.43Å; Q504-F507 PolarHBondContact O-N 3.25Å; N505-F507 VanDerWaalsContact C-N 3.27Å; N505-F507 PolarHBondContact O-N 3.1Å; F507-W510 HydrophobicContact CD2-CE3 4.35Å; F507-W510 HydrophobicContact CE1-CE3 4.18Å; F507-W510 HydrophobicContact CE1-CZ3 4.12Å; F507-W510 HydrophobicContact CE2-CE3 4.02Å; F507-W510 AromaticContact CE2-CZ3 3.95Å; F507-W510 HydrophobicContact CE2-CZ3 3.95Å; F507-W510 AromaticContact CZ-CE3 3.93Å; F507-W510 HydrophobicContact CZ-CE3 3.93Å; F507-W510 AromaticContact CZ-CZ3 3.61Å; F507-W510 HydrophobicContact CZ-CZ3 3.61Å; F507-F511 WeakPolarHBondContact O-CB 3.32Å; F507-F511 PolarHBondContact O-N 3.14Å
508F79.6Confident79.2Confident100 Ų10087.9 Ų87.944%0.43942%0.415SS..Hα-helixtrans-67.2-43.8173.5-177.5-106.5000111.6L468 Q504 N505 F511 N512L468-F508 HydrophobicContact CD1-CB 4.35Å; L468-F508 HydrophobicContact CD2-CD2 4.11Å; Q504-F508 VanDerWaalsContact O-CB 3.22Å; Q504-F508 WeakPolarHBondContact O-CB 3.28Å; Q504-F508 PolarHBondContact O-N 2.69Å; N505-F508 WeakPolarHBondContact O-CB 3.37Å; N505-F508 PolarHBondContact O-N 3.25Å; F508-F511 PolarHBondContact O-N 2.82Å; F508-N512 VanDerWaalsContact CD1-ND2 3.26Å; F508-N512 WeakPolarHBondContact CD1-ND2 3.35Å; F508-N512 WeakPolarHBondContact CE1-ND2 3.3Å; F508-N512 VanDerWaalsContact CZ-ND2 3.28Å; F508-N512 WeakPolarHBondContact CZ-ND2 3.49Å; F508-N512 WeakPolarHBondContact O-CB 3.37Å; F508-N512 PolarHBondContact O-N 2.88Å; F508-N512 PolarHBondContact O-ND2 3.2Å; F508-N512 VanDerWaalsContact O-ND2 3.1Å
509D82.4Confident79.1Confident105 Ų10585.9 Ų85.956%0.56141%0.414SS*.Hα-helixtrans-62.4-45.9175.1-66.1-25.4000111N505 F511 N512 S513N505-D509 PolarHBondContact O-N 2.95Å; D509-F511 PolarHBondContact O-N 3.21Å; D509-N512 PolarHBondContact O-N 3.46Å; D509-S513 WeakPolarHBondContact O-CB 3.3Å; D509-S513 PolarHBondContact O-N 2.84Å
510W81.5Confident78.8Confident119 Ų11990.8 Ų90.845%0.45144%0.438SS..Hα-helixtrans-61.1-43.1173.7178.877.9000112.5I460 S464 A506 F507 N512 S513 L514I460-W510 HydrophobicContact CG2-CH2 4.37Å; S464-W510 WeakPolarHBondContact OG-CH2 3.36Å; S464-W510 WeakPolarHBondContact OG-CZ3 3.08Å; A506-W510 WeakPolarHBondContact O-CB 3.47Å; A506-W510 PolarHBondContact O-N 3.42Å; F507-W510 HydrophobicContact CD2-CE3 4.35Å; F507-W510 HydrophobicContact CE1-CE3 4.18Å; F507-W510 HydrophobicContact CE1-CZ3 4.12Å; F507-W510 HydrophobicContact CE2-CE3 4.02Å; F507-W510 AromaticContact CE2-CZ3 3.95Å; F507-W510 HydrophobicContact CE2-CZ3 3.95Å; F507-W510 AromaticContact CZ-CE3 3.93Å; F507-W510 HydrophobicContact CZ-CE3 3.93Å; F507-W510 AromaticContact CZ-CZ3 3.61Å; F507-W510 HydrophobicContact CZ-CZ3 3.61Å; W510-N512 PolarHBondContact O-N 2.84Å; W510-S513 PolarHBondContact O-N 2.87Å; W510-L514 HydrophobicContact CH2-CD2 4.09Å; W510-L514 HydrophobicContact CZ2-CD2 4.36Å; W510-L514 HydrophobicContact CZ3-CD2 4.5Å; W510-L514 WeakPolarHBondContact O-CB 3.26Å; W510-L514 PolarHBondContact O-N 2.89Å
511F80.5Confident79Confident14 Ų1492.4 Ų92.46%0.06144%0.444CS..Hα-helixtrans-64.5-38.4176.4-179.5-99.4000112.3F461 F465 L468 F507 F508 D509 L514 R515F461-F511 AromaticContact CD2-CE2 3.86Å; F461-F511 HydrophobicContact CD2-CE2 3.86Å; F461-F511 HydrophobicContact CD2-CZ 4.26Å; F461-F511 HydrophobicContact CE1-CE2 4.48Å; F461-F511 HydrophobicContact CE1-CZ 4.25Å; F461-F511 HydrophobicContact CE2-CD2 4.43Å; F461-F511 HydrophobicContact CE2-CE1 4.33Å; F461-F511 AromaticContact CE2-CE2 3.51Å; F461-F511 HydrophobicContact CE2-CE2 3.51Å; F461-F511 AromaticContact CE2-CZ 3.45Å; F461-F511 HydrophobicContact CE2-CZ 3.45Å; F461-F511 VanDerWaalsContact CE2-CZ 3.45Å; F461-F511 HydrophobicContact CG-CE2 4.48Å; F461-F511 HydrophobicContact CZ-CE1 4.41Å; F461-F511 AromaticContact CZ-CE2 3.87Å; F461-F511 HydrophobicContact CZ-CE2 3.87Å; F461-F511 AromaticContact CZ-CZ 3.45Å; F461-F511 HydrophobicContact CZ-CZ 3.45Å; F461-F511 VanDerWaalsContact CZ-CZ 3.45Å; F465-F511 HydrophobicContact CB-CE2 3.87Å; F465-F511 HydrophobicContact CB-CZ 4.1Å; F465-F511 HydrophobicContact CD2-CE2 4.43Å; F465-F511 AromaticContact CD2-CZ 3.84Å; F465-F511 HydrophobicContact CD2-CZ 3.84Å; F465-F511 HydrophobicContact CG-CZ 4.47Å; L468-F511 HydrophobicContact CD2-CD1 4.05Å; L468-F511 HydrophobicContact CD2-CG 4.25Å; F507-F511 WeakPolarHBondContact O-CB 3.32Å; F507-F511 PolarHBondContact O-N 3.14Å; F508-F511 PolarHBondContact O-N 2.82Å; D509-F511 PolarHBondContact O-N 3.21Å; F511-L514 PolarHBondContact O-N 3.44Å; F511-R515 VanDerWaalsContact O-CB 3.24Å; F511-R515 WeakPolarHBondContact O-CB 3.16Å; F511-R515 PolarHBondContact O-N 3.24Å
512N79.2Confident79Confident54 Ų5496.4 Ų96.429%0.28946%0.459SS..Hα-helixtrans-69.4-37.8175.1-73.4-40.1000112F508 D509 W510 R515 S516F508-N512 VanDerWaalsContact CD1-ND2 3.26Å; F508-N512 WeakPolarHBondContact CD1-ND2 3.35Å; F508-N512 WeakPolarHBondContact CE1-ND2 3.3Å; F508-N512 VanDerWaalsContact CZ-ND2 3.28Å; F508-N512 WeakPolarHBondContact CZ-ND2 3.49Å; F508-N512 WeakPolarHBondContact O-CB 3.37Å; F508-N512 PolarHBondContact O-N 2.88Å; F508-N512 PolarHBondContact O-ND2 3.2Å; F508-N512 VanDerWaalsContact O-ND2 3.1Å; D509-N512 PolarHBondContact O-N 3.46Å; W510-N512 PolarHBondContact O-N 2.84Å; N512-R515 PolarHBondContact O-N 3.38Å; N512-S516 WeakPolarHBondContact O-CB 3.4Å; N512-S516 PolarHBondContact O-N 3.39Å
513S82.1Confident78.9Confident81 Ų8192 Ų9257%0.56645%0.447SS*.Hα-helixtrans-62.4-44.5171.7-1690000111.3D509 W510 S516 W517D509-S513 WeakPolarHBondContact O-CB 3.3Å; D509-S513 PolarHBondContact O-N 2.84Å; W510-S513 PolarHBondContact O-N 2.87Å; S513-S516 PolarHBondContact O-N 3.38Å; S513-W517 WeakPolarHBondContact O-CB 3.34Å; S513-W517 PolarHBondContact O-N 3.14Å
514L78.5Confident79Confident28 Ų2887.5 Ų87.515%0.14743%0.434CS..Hα-helixtrans-64.4-40.9175.8-172.872.9000111.6I460 F461 W510 F511 W517 Y518I460-L514 HydrophobicContact CG2-CD2 4.08Å; F461-L514 HydrophobicContact CD2-CD2 4.29Å; W510-L514 HydrophobicContact CH2-CD2 4.09Å; W510-L514 HydrophobicContact CZ2-CD2 4.36Å; W510-L514 HydrophobicContact CZ3-CD2 4.5Å; W510-L514 WeakPolarHBondContact O-CB 3.26Å; W510-L514 PolarHBondContact O-N 2.89Å; F511-L514 PolarHBondContact O-N 3.44Å; L514-W517 PolarHBondContact O-N 2.91Å; L514-Y518 WeakPolarHBondContact O-CB 3.32Å; L514-Y518 PolarHBondContact O-N 3.04Å
515R77.5Confident79.1Confident128 Ų12891.8 Ų91.848%0.48346%0.456SS..Hα-helixtrans-63-45.5175.5-178.1-177.6173-177.4-1.9111.5F461 F511 N512 W517 Y518 M519F461-R515 HydrophobicContact CE2-CB 4.03Å; F461-R515 HydrophobicContact CE2-CG 4.29Å; F511-R515 VanDerWaalsContact O-CB 3.24Å; F511-R515 WeakPolarHBondContact O-CB 3.16Å; F511-R515 PolarHBondContact O-N 3.24Å; N512-R515 PolarHBondContact O-N 3.38Å; R515-W517 VanDerWaalsContact C-N 3.33Å; R515-Y518 PolarHBondContact O-N 3.31Å; R515-M519 HydrophobicContact CG-CG 4.42Å; R515-M519 WeakPolarHBondContact O-CB 3.25Å; R515-M519 WeakPolarHBondContact O-CG 3.47Å; R515-M519 PolarHBondContact O-N 3.44Å
516S78.8Confident78.9Confident67 Ų6791.2 Ų91.247%0.46945%0.45SS..Hα-helixtrans-60.9-44.7176.7-172.90000110.7N512 S513 Y518 M519 N520N512-S516 WeakPolarHBondContact O-CB 3.4Å; N512-S516 PolarHBondContact O-N 3.39Å; S513-S516 PolarHBondContact O-N 3.38Å; S516-Y518 VanDerWaalsContact C-N 3.34Å; S516-Y518 PolarHBondContact O-N 2.71Å; S516-M519 PolarHBondContact O-N 3.03Å; S516-N520 WeakPolarHBondContact O-CB 3.4Å; S516-N520 VanDerWaalsContact O-CG 3.3Å; S516-N520 PolarHBondContact O-N 3.35Å; S516-N520 VanDerWaalsContact O-N 3.14Å; S516-N520 PolarHBondContact O-ND2 3.49Å; S516-N520 VanDerWaalsContact O-ND2 3.17Å
517W78.7Confident78.8Confident154 Ų15493.4 Ų93.458%0.58345%0.447SS*.Hα-helixtrans-71.3-22.3177.6-174.676.5000114.6L457 S513 L514 R515L457-W517 HydrophobicContact CD1-CH2 4.04Å; L457-W517 HydrophobicContact CD1-CZ3 3.88Å; L457-W517 HydrophobicContact CD2-CE3 4.38Å; L457-W517 HydrophobicContact CD2-CH2 3.73Å; L457-W517 HydrophobicContact CD2-CZ3 3.45Å; L457-W517 VanDerWaalsContact CD2-CZ3 3.45Å; L457-W517 HydrophobicContact CG-CH2 4.17Å; L457-W517 HydrophobicContact CG-CZ3 3.64Å; S513-W517 WeakPolarHBondContact O-CB 3.34Å; S513-W517 PolarHBondContact O-N 3.14Å; L514-W517 PolarHBondContact O-N 2.91Å; R515-W517 VanDerWaalsContact C-N 3.33Å
518Y75.2Confident78.7Confident91 Ų9196 Ų9636%0.35746%0.461SS..Hα-helixtrans-84.9-25173.7-177.4-89.2000113.2L457 L514 R515 S516L457-Y518 HydrophobicContact CB-CD2 4.25Å; L457-Y518 HydrophobicContact CB-CE2 4.28Å; L457-Y518 HydrophobicContact CD2-CD2 4.26Å; L514-Y518 WeakPolarHBondContact O-CB 3.32Å; L514-Y518 PolarHBondContact O-N 3.04Å; R515-Y518 PolarHBondContact O-N 3.31Å; S516-Y518 VanDerWaalsContact C-N 3.34Å; S516-Y518 PolarHBondContact O-N 2.71Å
519M76.4Confident78.6Confident128 Ų12895.7 Ų95.763%0.63146%0.463SS*.Hα-helixtrans-86.5-22178.5-69.6-69.7-17700113.2R515 S516R515-M519 HydrophobicContact CG-CG 4.42Å; R515-M519 WeakPolarHBondContact O-CB 3.25Å; R515-M519 WeakPolarHBondContact O-CG 3.47Å; R515-M519 PolarHBondContact O-N 3.44Å; S516-M519 PolarHBondContact O-N 3.03Å
520N73Confident78.3Confident179 Ų17994.8 Ų94.896%0.95745%0.454SS*.  trans-91.20172.2-63.7-28.7000111.7S516S516-N520 WeakPolarHBondContact O-CB 3.4Å; S516-N520 VanDerWaalsContact O-CG 3.3Å; S516-N520 PolarHBondContact O-N 3.35Å; S516-N520 VanDerWaalsContact O-N 3.14Å; S516-N520 PolarHBondContact O-ND2 3.49Å; S516-N520 VanDerWaalsContact O-ND2 3.17Å

Retrieved 520 of 520 residues in 513.8 ms (Link to these results)

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