A0A077ZAV7_TRITR Loading...

DNA polymerase

DNA polymerase that functions in several pathways of DNA repair. Involved in base excision repair (BER) responsible for repair of lesions that give rise to abasic (AP) sites in DNA. Also contributes to DNA double-strand break repair by non-homologous end joining and homologous recombination. Has both template-dependent and template-independent (terminal transferase) DNA polymerase activities. Has also a 5'-deoxyribose-5-phosphate lyase (dRP lyase) activity.

AlphaFold DB , UniProt , Accession A0A077ZAV7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 617 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
1M89.5Confident90.8Very high53 Ų5335.9 Ų35.926%0.26124%0.238SC..  0-44.10-178.4-170.9-57.500113N29 D30 N83 K85M1-N29 CarbonylContact C-O 3.58Å; M1-N29 HydrophobicContact CB-CB 4.06Å; M1-N29 WeakPolarHBondContact CE-OD1 3.4Å; M1-N29 PolarHBondContact N-O 3.13Å; M1-D30 PolarHBondContact N-OD2 2.76Å; M1-N83 HydrophobicContact CE-CB 4.37Å; M1-N83 WeakPolarHBondContact CE-O 3.48Å; M1-N83 WeakPolarHBondContact CE-OD1 3.48Å; M1-K85 HydrophobicContact CG-CB 4.23Å
2F94.7Very high89.5Confident0 Ų040.5 Ų40.50%025%0.254CS..  trans-104.128.8-179.1-55.3-59.2000112.8G4 E5 F7 N29 D30 W75 L76 C79 L80F2-G4 PolarHBondContact O-N 3.2Å; F2-E5 WeakPolarHBondContact O-CB 2.73Å; F2-E5 PolarHBondContact O-N 2.7Å; F2-F7 HydrophobicContact CB-CE2 3.83Å; F2-F7 HydrophobicContact CB-CZ 4.06Å; F2-F7 AromaticContact CD1-CZ 3.9Å; F2-F7 HydrophobicContact CD1-CZ 3.9Å; F2-F7 HydrophobicContact CD2-CZ 4.37Å; F2-F7 HydrophobicContact CE1-CZ 4.44Å; F2-F7 HydrophobicContact CG-CE2 4.11Å; F2-F7 AromaticContact CG-CZ 3.87Å; F2-F7 HydrophobicContact CG-CZ 3.87Å; F2-N29 HydrophobicContact CD2-CB 3.55Å; F2-N29 HydrophobicContact CE2-CB 3.84Å; F2-N29 PolarHBondContact N-O 2.69Å; F2-D30 CarbonylContact C-O 3.59Å; F2-W75 HydrophobicContact CE1-CH2 4.28Å; F2-L76 HydrophobicContact CE2-CD1 3.91Å; F2-L76 HydrophobicContact CZ-CD1 3.73Å; F2-C79 HydrophobicContact CE1-CB 3.96Å; F2-C79 HydrophobicContact CZ-CB 3.76Å; F2-L80 HydrophobicContact CE2-CD2 4.16Å
3S91.6Very high88Confident96 Ų9643.2 Ų43.267%0.67127%0.265SS*.THydrogen-bonded Turntrans-55129.4-178.9-1710000111.6E5 D30S3-E5 VanDerWaalsContact C-N 3.33Å; S3-D30 WeakPolarHBondContact CA-O 3.48Å
4G90.2Very high86.9Confident69 Ų6940.9 Ų40.971%0.71125%0.251SS*.THydrogen-bonded Turntrans81.81-179.200000115.5F2F2-G4 PolarHBondContact O-N 3.2Å
5E93.5Very high85.6Confident27 Ų2742 Ų4213%0.12625%0.254CS..  trans-103135.8178.8-57.3-76-170.100111.3F2 S3 F7 V32 T42 I43 K85F2-E5 WeakPolarHBondContact O-CB 2.73Å; F2-E5 PolarHBondContact O-N 2.7Å; S3-E5 VanDerWaalsContact C-N 3.33Å; E5-F7 HydrophobicContact CB-CD2 4.34Å; E5-F7 HydrophobicContact CB-CE2 3.66Å; E5-F7 HydrophobicContact CB-CZ 4.3Å; E5-V32 PolarHBondContact O-N 2.93Å; E5-T42 VanDerWaalsContact CA-OG1 3.32Å; E5-T42 WeakPolarHBondContact CA-OG1 3.3Å; E5-T42 VanDerWaalsContact OE2-CB 3.29Å; E5-T42 WeakPolarHBondContact OE2-CB 3.39Å; E5-T42 PolarHBondContact OE2-OG1 3.05Å; E5-I43 HydrophobicContact CB-CD1 3.93Å; E5-I43 HydrophobicContact CG-CD1 3.96Å; E5-K85 IonicContact OE1-NZ 3.31Å; E5-K85 PolarHBondContact OE1-NZ 2.68Å
6T93.1Very high84.6Confident20 Ų2052.6 Ų52.612%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-114.2122176.7-54.70000109.7V32 N34 S40 T42 I43T6-V32 CarbonylContact C-O 3.39Å; T6-V32 WeakPolarHBondContact CA-O 3.37Å; T6-V32 HydrophobicContact CG2-CB 4.19Å; T6-V32 HydrophobicContact CG2-CG1 4.11Å; T6-N34 HydrophobicContact CG2-CB 4.37Å; T6-N34 WeakPolarHBondContact CG2-OD1 3.48Å; T6-S40 VanDerWaalsContact CB-O 3.29Å; T6-S40 WeakPolarHBondContact CB-O 3.38Å; T6-S40 PolarHBondContact OG1-O 3.13Å; T6-T42 PolarHBondContact N-OG1 2.94Å; T6-T42 PolarHBondContact O-N 3.32Å; T6-T42 PolarHBondContact O-OG1 2.87Å; T6-I43 PolarHBondContact O-N 3.36Å
7F95.3Very high83.5Confident0 Ų053.9 Ų53.90%030%0.302CS..EExtended strand (participates in β ladder)trans-102.8137.9-171.9-69.6-105.1000111.5F2 E5 V26 V32 W33 N34 I43 L45 W75 L76F2-F7 HydrophobicContact CB-CE2 3.83Å; F2-F7 HydrophobicContact CB-CZ 4.06Å; F2-F7 AromaticContact CD1-CZ 3.9Å; F2-F7 HydrophobicContact CD1-CZ 3.9Å; F2-F7 HydrophobicContact CD2-CZ 4.37Å; F2-F7 HydrophobicContact CE1-CZ 4.44Å; F2-F7 HydrophobicContact CG-CE2 4.11Å; F2-F7 AromaticContact CG-CZ 3.87Å; F2-F7 HydrophobicContact CG-CZ 3.87Å; E5-F7 HydrophobicContact CB-CD2 4.34Å; E5-F7 HydrophobicContact CB-CE2 3.66Å; E5-F7 HydrophobicContact CB-CZ 4.3Å; F7-V26 HydrophobicContact CB-CG1 4.47Å; F7-V26 HydrophobicContact CD2-CG1 3.52Å; F7-V26 HydrophobicContact CE2-CG1 3.82Å; F7-V26 HydrophobicContact CG-CG1 4.02Å; F7-V32 PolarHBondContact N-O 3.07Å; F7-W33 HydrophobicContact CB-CE3 4.02Å; F7-W33 HydrophobicContact CB-CZ3 4.36Å; F7-N34 PolarHBondContact O-N 2.97Å; F7-I43 WeakPolarHBondContact CA-O 3.42Å; F7-I43 HydrophobicContact CD1-CB 4.01Å; F7-I43 HydrophobicContact CD1-CG2 3.89Å; F7-I43 HydrophobicContact CE1-CB 4.18Å; F7-I43 HydrophobicContact CE1-CD1 3.88Å; F7-I43 HydrophobicContact CE1-CG2 3.94Å; F7-I43 HydrophobicContact CE2-CD1 4.26Å; F7-I43 HydrophobicContact CG-CB 4.43Å; F7-I43 HydrophobicContact CZ-CD1 3.71Å; F7-L45 HydrophobicContact CD1-CD1 3.79Å; F7-L45 HydrophobicContact CD1-CG 4.18Å; F7-L45 HydrophobicContact CE1-CD1 4.42Å; F7-W75 AromaticContact CE1-CZ3 3.79Å; F7-W75 HydrophobicContact CE1-CZ3 3.79Å; F7-W75 HydrophobicContact CZ-CH2 4.49Å; F7-W75 HydrophobicContact CZ-CZ3 4.2Å; F7-L76 HydrophobicContact CE1-CD1 4.28Å
8Y92.4Very high82.9Confident41 Ų4155.4 Ų55.416%0.16130%0.302CS..EExtended strand (participates in β ladder)trans-130.6125.2163.1175.8-104.6000109.3V10 N34 E35 S36 L37 I43 L44 L45Y8-V10 HydrophobicContact CD1-CG2 4.49Å; Y8-V10 HydrophobicContact CE1-CG2 4.03Å; Y8-N34 WeakPolarHBondContact CD2-O 3.31Å; Y8-E35 WeakPolarHBondContact CE2-O 3.43Å; Y8-S36 VanDerWaalsContact CD2-C 3.46Å; Y8-S36 VanDerWaalsContact CE2-C 3.49Å; Y8-L37 HydrophobicContact CD1-CB 3.86Å; Y8-L37 HydrophobicContact CD1-CD1 3.92Å; Y8-L37 HydrophobicContact CD1-CG 4.38Å; Y8-L37 HydrophobicContact CE1-CB 3.73Å; Y8-L37 HydrophobicContact CG-CB 4.32Å; Y8-L37 HydrophobicContact CG-CD1 4.38Å; Y8-I43 PolarHBondContact N-O 2.97Å; Y8-L44 HydrophobicContact CD1-CD1 4.43Å; Y8-L44 HydrophobicContact CD1-CG 4.37Å; Y8-L44 CarbonylContact O-C 3.55Å; Y8-L44 WeakPolarHBondContact O-CA 3.34Å; Y8-L45 PolarHBondContact O-N 2.55Å
9L91.4Very high83Confident7 Ų754.3 Ų54.34%0.03730%0.295CS..EExtended strand (participates in β ladder)trans-100.4122.5174.5173.959.6000109.5P11 V14 I19 F22 W33 L45 L73L9-P11 WeakPolarHBondContact O-CD 3.35Å; L9-V14 HydrophobicContact CD1-CG2 4.29Å; L9-V14 HydrophobicContact CD2-CB 4.37Å; L9-V14 HydrophobicContact CD2-CG1 4.12Å; L9-V14 HydrophobicContact CD2-CG2 4.28Å; L9-I19 HydrophobicContact CD2-CG1 4.02Å; L9-F22 HydrophobicContact CD2-CD2 4.28Å; L9-W33 HydrophobicContact CB-CH2 3.6Å; L9-W33 HydrophobicContact CB-CZ2 3.61Å; L9-W33 HydrophobicContact CD2-CH2 3.92Å; L9-W33 HydrophobicContact CD2-CZ2 4.18Å; L9-W33 HydrophobicContact CG-CH2 4.44Å; L9-L45 HydrophobicContact CB-CB 4.29Å; L9-L45 HydrophobicContact CD1-CB 3.7Å; L9-L45 WeakPolarHBondContact CD1-O 3.35Å; L9-L73 HydrophobicContact CD1-CD1 4.04Å; L9-L73 HydrophobicContact CD1-CD2 4.48Å; L9-L73 HydrophobicContact CD2-CD1 4.39Å
10V86Confident83Confident7 Ų758.7 Ų58.74%0.04231%0.312CS..  trans-63.7121.3168.8-178.80000107.9Y8 E12 L44 L45 L46 L58Y8-V10 HydrophobicContact CD1-CG2 4.49Å; Y8-V10 HydrophobicContact CE1-CG2 4.03Å; V10-E12 HydrophobicContact CG1-CB 4.1Å; V10-E12 HydrophobicContact CG1-CG 4.3Å; V10-E12 PolarHBondContact O-N 2.78Å; V10-E12 VanDerWaalsContact O-N 3.1Å; V10-L44 HydrophobicContact CG2-CD2 3.97Å; V10-L45 PolarHBondContact N-O 3.23Å; V10-L46 HydrophobicContact CB-CD2 3.88Å; V10-L46 HydrophobicContact CG1-CD2 4.5Å; V10-L46 HydrophobicContact CG2-CD2 3.51Å; V10-L58 HydrophobicContact CG1-CD1 3.87Å; V10-L58 HydrophobicContact CG1-CD2 4.42Å; V10-L58 HydrophobicContact CG2-CD1 4.34Å
11P80.9Confident83Confident75 Ų7560.3 Ų60.349%0.48732%0.32SS..  trans-74.3-1.7-171.329.8-36000113.7L9 N13 V14 I19L9-P11 WeakPolarHBondContact O-CD 3.35Å; P11-N13 PolarHBondContact O-N 3.35Å; P11-V14 PolarHBondContact O-N 2.88Å; P11-I19 HydrophobicContact CB-CD1 3.91Å
12E75.8Confident83.1Confident91 Ų9158.4 Ų58.443%0.42531%0.31SS..THydrogen-bonded Turntrans-64.3130.5177.9-76.9166153.600110.6V10 V14 V50V10-E12 HydrophobicContact CG1-CB 4.1Å; V10-E12 HydrophobicContact CG1-CG 4.3Å; V10-E12 PolarHBondContact O-N 2.78Å; V10-E12 VanDerWaalsContact O-N 3.1Å; E12-V14 PolarHBondContact O-N 2.79Å; E12-V14 VanDerWaalsContact O-N 3.17Å; E12-V50 HydrophobicContact CB-CG2 4.28Å
13N69.5Low83Confident75 Ų7561.1 Ų61.140%0.40132%0.321SS..THydrogen-bonded Turntrans64.6-0.9-173.8-63.2-22.1000117.3P11 D47 V50 Q599P11-N13 PolarHBondContact O-N 3.35Å; N13-D47 HydrophobicContact CB-CB 4.25Å; N13-V50 HydrophobicContact CB-CG2 4.37Å; N13-Q599 PolarHBondContact O-NE2 2.93Å; N13-Q599 VanDerWaalsContact O-NE2 3.13Å
14V72.3Confident82.9Confident12 Ų1261.8 Ų61.87%0.07331%0.314CS..  trans-108.1123177.8-165.90000111.8L9 P11 E12 R18 I19 D47 L73L9-V14 HydrophobicContact CD1-CG2 4.29Å; L9-V14 HydrophobicContact CD2-CB 4.37Å; L9-V14 HydrophobicContact CD2-CG1 4.12Å; L9-V14 HydrophobicContact CD2-CG2 4.28Å; P11-V14 PolarHBondContact O-N 2.88Å; E12-V14 PolarHBondContact O-N 2.79Å; E12-V14 VanDerWaalsContact O-N 3.17Å; V14-R18 HydrophobicContact CG1-CB 4.2Å; V14-R18 HydrophobicContact CG1-CG 4.47Å; V14-I19 HydrophobicContact CB-CD1 4.35Å; V14-I19 HydrophobicContact CB-CG1 4.11Å; V14-I19 HydrophobicContact CG1-CD1 4.48Å; V14-I19 HydrophobicContact CG1-CG1 3.72Å; V14-D47 HydrophobicContact CG2-CB 4.02Å; V14-L73 HydrophobicContact CG2-CD2 3.98Å
15I67.3Low83.1Confident57 Ų5761.7 Ų61.729%0.29230%0.295SS..  trans-65.5141.2176.7-63.9158.8000110.7S17 R18 I19 Q599 F600I15-S17 VanDerWaalsContact C-N 3.29Å; I15-S17 WeakPolarHBondContact CG2-OG 3.5Å; I15-S17 PolarHBondContact O-N 2.66Å; I15-R18 WeakPolarHBondContact O-CB 3.49Å; I15-R18 PolarHBondContact O-N 3.13Å; I15-I19 PolarHBondContact O-N 3.13Å; I15-I19 VanDerWaalsContact O-N 3.09Å; I15-Q599 HydrophobicContact CD1-CG 3.66Å; I15-Q599 HydrophobicContact CG1-CG 4.4Å; I15-F600 HydrophobicContact CD1-CZ 4.29Å
16R70.4Confident83.1Confident211 Ų21160.4 Ų60.480%0.79629%0.289SS*.Hα-helixtrans-50.3-39.2178.2-69.8-174.9177.2-178-1.7115R18 I19 K20R16-R18 VanDerWaalsContact C-N 3.35Å; R16-I19 PolarHBondContact O-N 3.35Å; R16-K20 WeakPolarHBondContact O-CG 3.39Å; R16-K20 PolarHBondContact O-N 3.2Å
17S65.8Low83.2Confident75 Ų7564 Ų6452%0.52430%0.304SS..Hα-helixtrans-62.2-41.7176.952.40000111.9I15 K20 I21I15-S17 VanDerWaalsContact C-N 3.29Å; I15-S17 WeakPolarHBondContact CG2-OG 3.5Å; I15-S17 PolarHBondContact O-N 2.66Å; S17-K20 WeakPolarHBondContact O-CB 3.48Å; S17-K20 PolarHBondContact O-N 3.23Å; S17-I21 WeakPolarHBondContact O-CG1 3.44Å; S17-I21 PolarHBondContact O-N 3.4Å; S17-I21 VanDerWaalsContact O-N 3.13Å
18R72.8Confident83Confident81 Ų8170.3 Ų70.331%0.30633%0.334SS..Hα-helixtrans-69.1-37.6176.8-163.8179.5-179.7165.62.3111.9V14 I15 R16 K20 I21 F22V14-R18 HydrophobicContact CG1-CB 4.2Å; V14-R18 HydrophobicContact CG1-CG 4.47Å; I15-R18 WeakPolarHBondContact O-CB 3.49Å; I15-R18 PolarHBondContact O-N 3.13Å; R16-R18 VanDerWaalsContact C-N 3.35Å; R18-K20 VanDerWaalsContact C-N 3.29Å; R18-K20 PolarHBondContact O-N 3.01Å; R18-I21 PolarHBondContact O-N 2.74Å; R18-I21 VanDerWaalsContact O-N 3.14Å; R18-F22 HydrophobicContact CG-CD2 3.96Å; R18-F22 HydrophobicContact CG-CE2 3.52Å; R18-F22 HydrophobicContact CG-CZ 4.13Å; R18-F22 VanDerWaalsContact O-CD2 3.3Å; R18-F22 WeakPolarHBondContact O-CD2 3.46Å; R18-F22 PolarHBondContact O-N 2.84Å
19I84.7Confident83Confident34 Ų3469.6 Ų69.617%0.17433%0.333CS..Hα-helixtrans-57.3-44.1172.1-60.9178000110.4L9 P11 V14 I15 R16 I21 F22 K23 W33L9-I19 HydrophobicContact CD2-CG1 4.02Å; P11-I19 HydrophobicContact CB-CD1 3.91Å; V14-I19 HydrophobicContact CB-CD1 4.35Å; V14-I19 HydrophobicContact CB-CG1 4.11Å; V14-I19 HydrophobicContact CG1-CD1 4.48Å; V14-I19 HydrophobicContact CG1-CG1 3.72Å; I15-I19 PolarHBondContact O-N 3.13Å; I15-I19 VanDerWaalsContact O-N 3.09Å; R16-I19 PolarHBondContact O-N 3.35Å; I19-I21 VanDerWaalsContact C-N 3.35Å; I19-I21 PolarHBondContact O-N 3.23Å; I19-F22 PolarHBondContact O-N 3.04Å; I19-K23 WeakPolarHBondContact O-CB 3.45Å; I19-K23 PolarHBondContact O-N 2.78Å; I19-W33 HydrophobicContact CG2-CZ2 3.93Å
20K82.7Confident83.1Confident143 Ų14374.4 Ų74.462%0.62236%0.359SS*.Hα-helixtrans-60.5-42.1175.1-70.4-178.4179.5-172.90112.5R16 S17 R18 K23 Q24R16-K20 WeakPolarHBondContact O-CG 3.39Å; R16-K20 PolarHBondContact O-N 3.2Å; S17-K20 WeakPolarHBondContact O-CB 3.48Å; S17-K20 PolarHBondContact O-N 3.23Å; R18-K20 VanDerWaalsContact C-N 3.29Å; R18-K20 PolarHBondContact O-N 3.01Å; K20-K23 PolarHBondContact O-N 2.85Å; K20-Q24 WeakPolarHBondContact O-CG 3.29Å; K20-Q24 PolarHBondContact O-N 3.09Å
21I82.8Confident83.5Confident93 Ų9374.4 Ų74.448%0.47736%0.36SS..Hα-helixtrans-62.8-46.8177.2-65.4167.7000110.3S17 R18 I19 K23 Q24 Q25S17-I21 WeakPolarHBondContact O-CG1 3.44Å; S17-I21 PolarHBondContact O-N 3.4Å; S17-I21 VanDerWaalsContact O-N 3.13Å; R18-I21 PolarHBondContact O-N 2.74Å; R18-I21 VanDerWaalsContact O-N 3.14Å; I19-I21 VanDerWaalsContact C-N 3.35Å; I19-I21 PolarHBondContact O-N 3.23Å; I21-K23 PolarHBondContact O-N 3.07Å; I21-Q24 PolarHBondContact O-N 3.36Å; I21-Q25 HydrophobicContact CG2-CG 4.24Å; I21-Q25 WeakPolarHBondContact O-CB 3.46Å; I21-Q25 VanDerWaalsContact O-CG 3.26Å; I21-Q25 WeakPolarHBondContact O-CG 3.47Å; I21-Q25 PolarHBondContact O-N 2.86Å
22F92.5Very high84.1Confident12 Ų1274.6 Ų74.65%0.05336%0.36CS..Hα-helixtrans-63.4-41.8177.8-71.6-50.5000112.6L9 R18 I19 Q24 Q25 V26 W33 L73 L76 V77 L80L9-F22 HydrophobicContact CD2-CD2 4.28Å; R18-F22 HydrophobicContact CG-CD2 3.96Å; R18-F22 HydrophobicContact CG-CE2 3.52Å; R18-F22 HydrophobicContact CG-CZ 4.13Å; R18-F22 VanDerWaalsContact O-CD2 3.3Å; R18-F22 WeakPolarHBondContact O-CD2 3.46Å; R18-F22 PolarHBondContact O-N 2.84Å; I19-F22 PolarHBondContact O-N 3.04Å; F22-Q24 PolarHBondContact O-N 3.42Å; F22-Q25 PolarHBondContact O-N 2.8Å; F22-V26 WeakPolarHBondContact O-CB 3.22Å; F22-V26 VanDerWaalsContact O-CG2 3.32Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 2.93Å; F22-W33 HydrophobicContact CB-CH2 3.75Å; F22-W33 HydrophobicContact CB-CZ3 3.87Å; F22-L73 HydrophobicContact CD2-CD1 4.31Å; F22-L73 HydrophobicContact CE2-CD1 3.94Å; F22-L73 HydrophobicContact CE2-CD2 3.9Å; F22-L73 HydrophobicContact CE2-CG 4.23Å; F22-L73 HydrophobicContact CZ-CD1 4.16Å; F22-L73 HydrophobicContact CZ-CD2 4.31Å; F22-L73 HydrophobicContact CZ-CG 4.3Å; F22-L76 HydrophobicContact CB-CD2 4.26Å; F22-L76 HydrophobicContact CD1-CD2 3.82Å; F22-L76 HydrophobicContact CD1-CG 4.49Å; F22-L76 HydrophobicContact CE1-CD2 4.4Å; F22-L76 HydrophobicContact CG-CD2 4.17Å; F22-V77 HydrophobicContact CE1-CG2 3.96Å; F22-V77 HydrophobicContact CZ-CG2 3.9Å; F22-L80 HydrophobicContact CD1-CD1 4.3Å; F22-L80 HydrophobicContact CE1-CD1 4.5Å
23K92.9Very high85Confident57 Ų5771.2 Ų71.225%0.24834%0.343CS..Hα-helixtrans-53.2-54.2172.8176.9173-174178.10111.1I19 K20 I21 Q25 V26 E27 W33 E35I19-K23 WeakPolarHBondContact O-CB 3.45Å; I19-K23 PolarHBondContact O-N 2.78Å; K20-K23 PolarHBondContact O-N 2.85Å; I21-K23 PolarHBondContact O-N 3.07Å; K23-Q25 PolarHBondContact O-N 2.84Å; K23-V26 PolarHBondContact O-N 3Å; K23-E27 WeakPolarHBondContact CE-OE1 3.34Å; K23-E27 WeakPolarHBondContact CG-OE1 3.37Å; K23-E27 WeakPolarHBondContact O-CB 3.42Å; K23-E27 WeakPolarHBondContact O-CG 3.21Å; K23-E27 PolarHBondContact O-N 3.49Å; K23-W33 HydrophobicContact CB-CB 4.48Å; K23-W33 HydrophobicContact CB-CD2 3.84Å; K23-W33 HydrophobicContact CB-CE3 4.39Å; K23-W33 HydrophobicContact CB-CG 3.85Å; K23-W33 HydrophobicContact CD-CG 4.19Å; K23-W33 HydrophobicContact CG-CB 3.91Å; K23-W33 HydrophobicContact CG-CD2 4.2Å; K23-W33 HydrophobicContact CG-CG 3.66Å; K23-E35 IonicContact NZ-OE1 3.54Å; K23-E35 PolarHBondContact NZ-OE1 2.81Å
24Q89.8Confident86Confident111 Ų11169 Ų6952%0.51933%0.331SS..Hα-helixtrans-59.2-44.3178.6-72.5175.5-14.100112.4K20 I21 F22 Q28K20-Q24 WeakPolarHBondContact O-CG 3.29Å; K20-Q24 PolarHBondContact O-N 3.09Å; I21-Q24 PolarHBondContact O-N 3.36Å; F22-Q24 PolarHBondContact O-N 3.42Å; Q24-Q28 VanDerWaalsContact O-CB 3.29Å; Q24-Q28 WeakPolarHBondContact O-CB 3.35Å; Q24-Q28 WeakPolarHBondContact O-CG 3.34Å; Q24-Q28 PolarHBondContact O-N 2.85Å
25Q92.5Very high86.7Confident66 Ų6675.6 Ų75.631%0.30836%0.361SS..Hα-helixtrans-67-37.5-179.4-72.4-68.4-44.100112.6I21 F22 K23 N29 L80I21-Q25 HydrophobicContact CG2-CG 4.24Å; I21-Q25 WeakPolarHBondContact O-CB 3.46Å; I21-Q25 VanDerWaalsContact O-CG 3.26Å; I21-Q25 WeakPolarHBondContact O-CG 3.47Å; I21-Q25 PolarHBondContact O-N 2.86Å; F22-Q25 PolarHBondContact O-N 2.8Å; K23-Q25 PolarHBondContact O-N 2.84Å; Q25-N29 WeakPolarHBondContact O-CB 3.09Å; Q25-N29 PolarHBondContact O-N 3.03Å; Q25-N29 PolarHBondContact O-ND2 2.78Å; Q25-L80 HydrophobicContact CB-CD1 3.92Å; Q25-L80 HydrophobicContact CB-CD2 4.03Å; Q25-L80 HydrophobicContact CG-CD1 4.4Å
26V94.9Very high87.5Confident0 Ų076.1 Ų76.10%037%0.37CS..Hα-helixtrans-69.2-46.4176.4168.60000110.8F7 F22 K23 N29 D30 G31 W33 L76F7-V26 HydrophobicContact CB-CG1 4.47Å; F7-V26 HydrophobicContact CD2-CG1 3.52Å; F7-V26 HydrophobicContact CE2-CG1 3.82Å; F7-V26 HydrophobicContact CG-CG1 4.02Å; F22-V26 WeakPolarHBondContact O-CB 3.22Å; F22-V26 VanDerWaalsContact O-CG2 3.32Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 2.93Å; K23-V26 PolarHBondContact O-N 3Å; V26-N29 CarbonylContact O-C 3.41Å; V26-N29 WeakPolarHBondContact O-CA 3.5Å; V26-N29 PolarHBondContact O-N 3.19Å; V26-D30 PolarHBondContact O-N 3.05Å; V26-G31 PolarHBondContact O-N 3.13Å; V26-W33 HydrophobicContact CB-CE3 3.99Å; V26-W33 HydrophobicContact CB-CZ3 4.5Å; V26-W33 HydrophobicContact CG1-CE3 4.27Å; V26-W33 HydrophobicContact CG2-CE3 3.93Å; V26-W33 HydrophobicContact CG2-CZ3 3.94Å; V26-L76 HydrophobicContact CG2-CD1 3.85Å; V26-L76 HydrophobicContact CG2-CD2 3.9Å
27E93.7Very high88.1Confident95 Ų9568.8 Ų68.844%0.44435%0.346SS..Hα-helixtrans-63-41.3178.3-71.5171.9174.100111.9K23 N29 D30 G31 W33K23-E27 WeakPolarHBondContact CE-OE1 3.34Å; K23-E27 WeakPolarHBondContact CG-OE1 3.37Å; K23-E27 WeakPolarHBondContact O-CB 3.42Å; K23-E27 WeakPolarHBondContact O-CG 3.21Å; K23-E27 PolarHBondContact O-N 3.49Å; E27-N29 PolarHBondContact O-N 2.93Å; E27-D30 PolarHBondContact O-N 3.3Å; E27-G31 WeakPolarHBondContact CA-O 3.25Å; E27-W33 HydrophobicContact CG-CB 4.42Å
28Q91.8Very high88.8Confident134 Ų13468.1 Ų68.163%0.62634%0.337SS*.Hα-helixtrans-62.1-21.6173.2-77.8174.2-2.400113.4Q24Q24-Q28 VanDerWaalsContact O-CB 3.29Å; Q24-Q28 WeakPolarHBondContact O-CB 3.35Å; Q24-Q28 WeakPolarHBondContact O-CG 3.34Å; Q24-Q28 PolarHBondContact O-N 2.85Å
29N92.7Very high89.2Confident26 Ų2669.9 Ų69.914%0.13936%0.362CS..THydrogen-bonded Turntrans-10523.9-178.4-83.2-75.1000112.6M1 F2 Q25 V26 E27 G31M1-N29 CarbonylContact C-O 3.58Å; M1-N29 HydrophobicContact CB-CB 4.06Å; M1-N29 WeakPolarHBondContact CE-OD1 3.4Å; M1-N29 PolarHBondContact N-O 3.13Å; F2-N29 HydrophobicContact CD2-CB 3.55Å; F2-N29 HydrophobicContact CE2-CB 3.84Å; F2-N29 PolarHBondContact N-O 2.69Å; Q25-N29 WeakPolarHBondContact O-CB 3.09Å; Q25-N29 PolarHBondContact O-N 3.03Å; Q25-N29 PolarHBondContact O-ND2 2.78Å; V26-N29 CarbonylContact O-C 3.41Å; V26-N29 WeakPolarHBondContact O-CA 3.5Å; V26-N29 PolarHBondContact O-N 3.19Å; E27-N29 PolarHBondContact O-N 2.93Å; N29-G31 VanDerWaalsContact C-N 3.31Å; N29-G31 PolarHBondContact O-N 3.49Å
30D92.9Very high89.2Confident107 Ų10771 Ų7157%0.57237%0.372SS*.THydrogen-bonded Turntrans67.317.9178.4-42.2-64.3000115.7M1 F2 S3 V26 E27M1-D30 PolarHBondContact N-OD2 2.76Å; F2-D30 CarbonylContact C-O 3.59Å; S3-D30 WeakPolarHBondContact CA-O 3.48Å; V26-D30 PolarHBondContact O-N 3.05Å; E27-D30 PolarHBondContact O-N 3.3Å
31G94.8Very high89.5Confident7 Ų764.3 Ų64.37%0.07234%0.343CS..  trans-93.4154.917300000112.4V26 E27 N29V26-G31 PolarHBondContact O-N 3.13Å; E27-G31 WeakPolarHBondContact CA-O 3.25Å; N29-G31 VanDerWaalsContact C-N 3.31Å; N29-G31 PolarHBondContact O-N 3.49Å
32V94.2Very high89.9Confident79 Ų7961.5 Ų61.548%0.47933%0.331SS..EExtended strand (participates in β ladder)trans-98.5133.6175.2-178.60000109.5E5 T6 F7E5-V32 PolarHBondContact O-N 2.93Å; T6-V32 CarbonylContact C-O 3.39Å; T6-V32 WeakPolarHBondContact CA-O 3.37Å; T6-V32 HydrophobicContact CG2-CB 4.19Å; T6-V32 HydrophobicContact CG2-CG1 4.11Å; F7-V32 PolarHBondContact N-O 3.07Å
33W94.2Very high89.9Confident21 Ų2161.1 Ų61.18%0.0833%0.329CS..EExtended strand (participates in β ladder)trans-109.6116.6178.5-171.7-79.1000111.7F7 L9 I19 F22 K23 V26 E27F7-W33 HydrophobicContact CB-CE3 4.02Å; F7-W33 HydrophobicContact CB-CZ3 4.36Å; L9-W33 HydrophobicContact CB-CH2 3.6Å; L9-W33 HydrophobicContact CB-CZ2 3.61Å; L9-W33 HydrophobicContact CD2-CH2 3.92Å; L9-W33 HydrophobicContact CD2-CZ2 4.18Å; L9-W33 HydrophobicContact CG-CH2 4.44Å; I19-W33 HydrophobicContact CG2-CZ2 3.93Å; F22-W33 HydrophobicContact CB-CH2 3.75Å; F22-W33 HydrophobicContact CB-CZ3 3.87Å; K23-W33 HydrophobicContact CB-CB 4.48Å; K23-W33 HydrophobicContact CB-CD2 3.84Å; K23-W33 HydrophobicContact CB-CE3 4.39Å; K23-W33 HydrophobicContact CB-CG 3.85Å; K23-W33 HydrophobicContact CD-CG 4.19Å; K23-W33 HydrophobicContact CG-CB 3.91Å; K23-W33 HydrophobicContact CG-CD2 4.2Å; K23-W33 HydrophobicContact CG-CG 3.66Å; V26-W33 HydrophobicContact CB-CE3 3.99Å; V26-W33 HydrophobicContact CB-CZ3 4.5Å; V26-W33 HydrophobicContact CG1-CE3 4.27Å; V26-W33 HydrophobicContact CG2-CE3 3.93Å; V26-W33 HydrophobicContact CG2-CZ3 3.94Å; E27-W33 HydrophobicContact CG-CB 4.42Å
34N91.2Very high89.8Confident27 Ų2758.6 Ų58.614%0.14432%0.318CS..  trans-95.4142.6176.1-76.310.8000111.7T6 F7 Y8 D38 S40 V41T6-N34 HydrophobicContact CG2-CB 4.37Å; T6-N34 WeakPolarHBondContact CG2-OD1 3.48Å; F7-N34 PolarHBondContact O-N 2.97Å; Y8-N34 WeakPolarHBondContact CD2-O 3.31Å; N34-D38 PolarHBondContact ND2-OD1 3.08Å; N34-D38 PolarHBondContact ND2-OD2 2.97Å; N34-S40 PolarHBondContact ND2-OG 3.07Å; N34-V41 HydrophobicContact CB-CG2 4.28Å
35E86.8Confident89.9Confident152 Ų15253.3 Ų53.371%0.7129%0.294SS*.SBendtrans-91.8-12.2177.6-61.2-169.4178.300113.1Y8 K23Y8-E35 WeakPolarHBondContact CE2-O 3.43Å; K23-E35 IonicContact NZ-OE1 3.54Å; K23-E35 PolarHBondContact NZ-OE1 2.81Å
36S83.3Confident89.7Confident68 Ų6850.1 Ų50.148%0.47628%0.279SS..SBendtrans-130.2150175.452.50000110.9Y8 D38Y8-S36 VanDerWaalsContact CD2-C 3.46Å; Y8-S36 VanDerWaalsContact CE2-C 3.49Å; S36-D38 PolarHBondContact O-N 3.08Å
37L82.3Confident89.1Confident57 Ų5751.7 Ų51.730%0.29829%0.287SS..  trans-75.8114.6171.7-176.658.6000109.4Y8 V41 L44 K61Y8-L37 HydrophobicContact CD1-CB 3.86Å; Y8-L37 HydrophobicContact CD1-CD1 3.92Å; Y8-L37 HydrophobicContact CD1-CG 4.38Å; Y8-L37 HydrophobicContact CE1-CB 3.73Å; Y8-L37 HydrophobicContact CG-CB 4.32Å; Y8-L37 HydrophobicContact CG-CD1 4.38Å; L37-V41 HydrophobicContact CD1-CB 4.21Å; L37-V41 HydrophobicContact CD1-CG1 4.25Å; L37-V41 HydrophobicContact CD1-CG2 4.14Å; L37-L44 HydrophobicContact CD1-CD1 3.7Å; L37-L44 HydrophobicContact CD2-CD1 3.94Å; L37-L44 HydrophobicContact CG-CD1 4.49Å; L37-K61 WeakPolarHBondContact CD2-O 3.45Å
38D81.8Confident88.3Confident60 Ų6049.6 Ų49.632%0.32128%0.279SS..  trans-135.9-179.817762.845.3000111N34 S36 S40 V41N34-D38 PolarHBondContact ND2-OD1 3.08Å; N34-D38 PolarHBondContact ND2-OD2 2.97Å; S36-D38 PolarHBondContact O-N 3.08Å; D38-S40 PolarHBondContact O-N 3.17Å; D38-S40 WeakPolarHBondContact OD1-CA 3.31Å; D38-S40 VanDerWaalsContact OD1-CB 3.31Å; D38-S40 WeakPolarHBondContact OD1-CB 3.47Å; D38-S40 PolarHBondContact OD1-N 3.36Å; D38-S40 PolarHBondContact OD1-OG 2.85Å; D38-V41 PolarHBondContact O-N 2.97Å
39S80Confident87.2Confident119 Ų11948 Ų4883%0.83227%0.271SS*.THydrogen-bonded Turntrans-70.4-8.9-177.357.50000115
40S84.9Confident85.9Confident57 Ų5747.2 Ų47.240%0.39927%0.268SS..THydrogen-bonded Turntrans-86.1-17.5178.272.70000113.2T6 N34 D38 T42T6-S40 VanDerWaalsContact CB-O 3.29Å; T6-S40 WeakPolarHBondContact CB-O 3.38Å; T6-S40 PolarHBondContact OG1-O 3.13Å; N34-S40 PolarHBondContact ND2-OG 3.07Å; D38-S40 PolarHBondContact O-N 3.17Å; D38-S40 WeakPolarHBondContact OD1-CA 3.31Å; D38-S40 VanDerWaalsContact OD1-CB 3.31Å; D38-S40 WeakPolarHBondContact OD1-CB 3.47Å; D38-S40 PolarHBondContact OD1-N 3.36Å; D38-S40 PolarHBondContact OD1-OG 2.85Å; S40-T42 PolarHBondContact O-N 2.91Å
41V89.3Confident84.3Confident2 Ų244.3 Ų44.31%0.01225%0.252CS..  trans-64.9116.3-178.6178.90000110.9N34 L37 D38 I43 T68N34-V41 HydrophobicContact CB-CG2 4.28Å; L37-V41 HydrophobicContact CD1-CB 4.21Å; L37-V41 HydrophobicContact CD1-CG1 4.25Å; L37-V41 HydrophobicContact CD1-CG2 4.14Å; D38-V41 PolarHBondContact O-N 2.97Å; V41-I43 WeakPolarHBondContact CG1-O 3.21Å; V41-T68 HydrophobicContact CG1-CG2 4.02Å; V41-T68 WeakPolarHBondContact O-CB 3Å; V41-T68 WeakPolarHBondContact O-CG2 3.41Å; V41-T68 PolarHBondContact O-OG1 3.13Å
42T91.2Very high82.3Confident35 Ų3550.8 Ų50.822%0.21528%0.278CS..SBendtrans-92.4-28.317565.10000112.2E5 T6 S40 T68 K69E5-T42 VanDerWaalsContact CA-OG1 3.32Å; E5-T42 WeakPolarHBondContact CA-OG1 3.3Å; E5-T42 VanDerWaalsContact OE2-CB 3.29Å; E5-T42 WeakPolarHBondContact OE2-CB 3.39Å; E5-T42 PolarHBondContact OE2-OG1 3.05Å; T6-T42 PolarHBondContact N-OG1 2.94Å; T6-T42 PolarHBondContact O-N 3.32Å; T6-T42 PolarHBondContact O-OG1 2.87Å; S40-T42 PolarHBondContact O-N 2.91Å; T42-T68 CarbonylContact O-C 3.44Å; T42-T68 WeakPolarHBondContact O-CA 3.08Å; T42-K69 PolarHBondContact O-N 2.85Å
43I93.1Very high80.3Confident4 Ų452.7 Ų52.72%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-128.3113-179.4-59.1178.2000109.8E5 T6 F7 Y8 V41 L45 K69 V71 W75E5-I43 HydrophobicContact CB-CD1 3.93Å; E5-I43 HydrophobicContact CG-CD1 3.96Å; T6-I43 PolarHBondContact O-N 3.36Å; F7-I43 WeakPolarHBondContact CA-O 3.42Å; F7-I43 HydrophobicContact CD1-CB 4.01Å; F7-I43 HydrophobicContact CD1-CG2 3.89Å; F7-I43 HydrophobicContact CE1-CB 4.18Å; F7-I43 HydrophobicContact CE1-CD1 3.88Å; F7-I43 HydrophobicContact CE1-CG2 3.94Å; F7-I43 HydrophobicContact CE2-CD1 4.26Å; F7-I43 HydrophobicContact CG-CB 4.43Å; F7-I43 HydrophobicContact CZ-CD1 3.71Å; Y8-I43 PolarHBondContact N-O 2.97Å; V41-I43 WeakPolarHBondContact CG1-O 3.21Å; I43-L45 HydrophobicContact CG2-CD2 3.9Å; I43-L45 HydrophobicContact CG2-CG 4.19Å; I43-K69 WeakPolarHBondContact CA-O 3.47Å; I43-V71 HydrophobicContact CG2-CG2 4.34Å; I43-W75 HydrophobicContact CD1-CH2 3.66Å; I43-W75 HydrophobicContact CD1-CZ3 3.76Å; I43-W75 HydrophobicContact CG2-CZ3 4.12Å
44L91.1Very high78.4Confident3 Ų354 Ų542%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-96.6116.6171.3-170.9153.1000109Y8 V10 L37 L46 I62 T68 K69 I70 V71Y8-L44 HydrophobicContact CD1-CD1 4.43Å; Y8-L44 HydrophobicContact CD1-CG 4.37Å; Y8-L44 CarbonylContact O-C 3.55Å; Y8-L44 WeakPolarHBondContact O-CA 3.34Å; V10-L44 HydrophobicContact CG2-CD2 3.97Å; L37-L44 HydrophobicContact CD1-CD1 3.7Å; L37-L44 HydrophobicContact CD2-CD1 3.94Å; L37-L44 HydrophobicContact CG-CD1 4.49Å; L44-L46 HydrophobicContact CD2-CD1 4.34Å; L44-L46 HydrophobicContact CD2-CD2 3.76Å; L44-L46 HydrophobicContact CD2-CG 3.71Å; L44-I62 HydrophobicContact CD1-CD1 4.45Å; L44-I62 HydrophobicContact CD1-CG1 4.05Å; L44-I62 HydrophobicContact CD1-CG2 4.42Å; L44-I62 HydrophobicContact CD2-CD1 4.26Å; L44-T68 HydrophobicContact CB-CG2 3.72Å; L44-K69 PolarHBondContact N-O 2.84Å; L44-I70 HydrophobicContact CB-CG1 4.27Å; L44-I70 HydrophobicContact CD2-CG2 3.91Å; L44-I70 WeakPolarHBondContact O-CA 3.47Å; L44-V71 PolarHBondContact O-N 2.87Å
45L91.9Very high76.5Confident0 Ų055.3 Ų55.30%031%0.309CS..EExtended strand (participates in β ladder)trans-93.3129.7178.9-64.2174.4000110.6F7 Y8 L9 V10 I43 V71 L73 W75 L76F7-L45 HydrophobicContact CD1-CD1 3.79Å; F7-L45 HydrophobicContact CD1-CG 4.18Å; F7-L45 HydrophobicContact CE1-CD1 4.42Å; Y8-L45 PolarHBondContact O-N 2.55Å; L9-L45 HydrophobicContact CB-CB 4.29Å; L9-L45 HydrophobicContact CD1-CB 3.7Å; L9-L45 WeakPolarHBondContact CD1-O 3.35Å; V10-L45 PolarHBondContact N-O 3.23Å; I43-L45 HydrophobicContact CG2-CD2 3.9Å; I43-L45 HydrophobicContact CG2-CG 4.19Å; L45-V71 WeakPolarHBondContact CA-O 3.4Å; L45-V71 HydrophobicContact CD2-CB 4.49Å; L45-L73 HydrophobicContact CB-CD1 4.44Å; L45-L73 HydrophobicContact CD1-CD1 4.13Å; L45-W75 HydrophobicContact CD2-CE3 4.3Å; L45-L76 HydrophobicContact CD1-CB 4.23Å; L45-L76 HydrophobicContact CD1-CD2 3.64Å; L45-L76 HydrophobicContact CD1-CG 4.5Å; L45-L76 HydrophobicContact CD2-CB 4.39Å
46L87.3Confident75Confident0 Ų053.8 Ų53.80%031%0.306CS..EExtended strand (participates in β ladder)trans-115.2137171.6-66.5173.1000109.4V10 L44 D48 V50 L58 I62 I70 V71 R72 L73 V93 F95V10-L46 HydrophobicContact CB-CD2 3.88Å; V10-L46 HydrophobicContact CG1-CD2 4.5Å; V10-L46 HydrophobicContact CG2-CD2 3.51Å; L44-L46 HydrophobicContact CD2-CD1 4.34Å; L44-L46 HydrophobicContact CD2-CD2 3.76Å; L44-L46 HydrophobicContact CD2-CG 3.71Å; L46-D48 PolarHBondContact O-N 2.93Å; L46-V50 HydrophobicContact CD2-CG1 4.41Å; L46-L58 HydrophobicContact CD2-CD2 4.33Å; L46-I62 HydrophobicContact CD2-CD1 4.37Å; L46-I70 HydrophobicContact CD1-CG2 3.5Å; L46-I70 HydrophobicContact CG-CG2 4.09Å; L46-V71 PolarHBondContact N-O 2.86Å; L46-R72 CarbonylContact O-C 3.57Å; L46-R72 WeakPolarHBondContact O-CA 3.47Å; L46-L73 WeakPolarHBondContact O-CB 3.39Å; L46-L73 PolarHBondContact O-N 3.41Å; L46-V93 HydrophobicContact CD1-CB 4.47Å; L46-V93 HydrophobicContact CD1-CG1 4.36Å; L46-V93 HydrophobicContact CD1-CG2 4.33Å; L46-F95 HydrophobicContact CD1-CZ 4.11Å
47D82.9Confident73.6Confident32 Ų3254.8 Ų54.817%0.17131%0.306CS..  trans-57135.7165.2179.3-91.4000109.9N13 V14 E49 V50N13-D47 HydrophobicContact CB-CB 4.25Å; V14-D47 HydrophobicContact CG2-CB 4.02Å; D47-E49 PolarHBondContact O-N 2.87Å; D47-E49 PolarHBondContact OD1-N 2.96Å; D47-E49 VanDerWaalsContact OD1-N 3.15Å; D47-V50 HydrophobicContact CB-CG2 3.86Å; D47-V50 WeakPolarHBondContact O-CB 3.32Å; D47-V50 PolarHBondContact O-N 3.44Å
48D76.5Confident72.6Confident51 Ų5152.7 Ų52.727%0.27330%0.295SS..THydrogen-bonded Turntrans-56.8-24.1-171.7-69.739.8000113.4L46 R72 L73 S74L46-D48 PolarHBondContact O-N 2.93Å; D48-R72 WeakPolarHBondContact OD1-CB 3.38Å; D48-L73 PolarHBondContact OD1-N 3.33Å; D48-S74 PolarHBondContact OD1-N 3.17Å; D48-S74 PolarHBondContact OD1-OG 2.85Å; D48-S74 WeakPolarHBondContact OD2-CB 3.46Å; D48-S74 PolarHBondContact OD2-OG 2.95Å
49E68.7Low71.6Confident101 Ų10151.7 Ų51.747%0.47229%0.292SS..THydrogen-bonded Turntrans-91-13.6178.5-64.9-65.1143.300113.6D47 D51 K52D47-E49 PolarHBondContact O-N 2.87Å; D47-E49 PolarHBondContact OD1-N 2.96Å; D47-E49 VanDerWaalsContact OD1-N 3.15Å; E49-D51 VanDerWaalsContact C-N 3.3Å; E49-K52 PolarHBondContact O-N 3.3Å; E49-K52 IonicContact OE1-NZ 2.86Å; E49-K52 PolarHBondContact OE1-NZ 3.41Å; E49-K52 IonicContact OE2-NZ 3.43Å; E49-K52 PolarHBondContact OE2-NZ 3.44Å
50V66.7Low70.8Confident10 Ų1053.8 Ų53.86%0.06128%0.282CS..G310 helixtrans-69.9-30175.5174.70000111.3E12 N13 L46 D47 K52 V53 L54 L58E12-V50 HydrophobicContact CB-CG2 4.28Å; N13-V50 HydrophobicContact CB-CG2 4.37Å; L46-V50 HydrophobicContact CD2-CG1 4.41Å; D47-V50 HydrophobicContact CB-CG2 3.86Å; D47-V50 WeakPolarHBondContact O-CB 3.32Å; D47-V50 PolarHBondContact O-N 3.44Å; V50-K52 PolarHBondContact O-N 3.35Å; V50-K52 VanDerWaalsContact O-N 3.09Å; V50-V53 CarbonylContact O-C 3.6Å; V50-V53 PolarHBondContact O-N 3.16Å; V50-L54 HydrophobicContact CG1-CD2 4.23Å; V50-L54 PolarHBondContact O-N 3.18Å; V50-L58 HydrophobicContact CG1-CD2 3.79Å
51D57.4Low69.8Low45 Ų4558.3 Ų58.324%0.24129%0.294CS..G310 helixtrans-50.2-34.9173.7-16912.1000112.2E49 R72 V93E49-D51 VanDerWaalsContact C-N 3.3Å; D51-R72 IonicContact OD2-CZ 2.7Å; D51-R72 IonicContact OD2-NE 3.46Å; D51-R72 PolarHBondContact OD2-NE 2.96Å; D51-R72 IonicContact OD2-NH2 3.64Å; D51-R72 PolarHBondContact OD2-NH2 2.91Å; D51-V93 WeakPolarHBondContact OD1-CG1 3.41Å
52K54.6Low68.5Low144 Ų14458.5 Ų58.563%0.62630%0.295SS*.G310 helixtrans-83-15-175.7-60.7176.3-166.9157.90114.5E49 V50E49-K52 PolarHBondContact O-N 3.3Å; E49-K52 IonicContact OE1-NZ 2.86Å; E49-K52 PolarHBondContact OE1-NZ 3.41Å; E49-K52 IonicContact OE2-NZ 3.43Å; E49-K52 PolarHBondContact OE2-NZ 3.44Å; V50-K52 PolarHBondContact O-N 3.35Å; V50-K52 VanDerWaalsContact O-N 3.09Å
53V51.2Low66.7Low119 Ų11962 Ų6272%0.72131%0.313SS*.G310 helixtrans-138.235.4-169.6-1600000110.9V50 S55V50-V53 CarbonylContact O-C 3.6Å; V50-V53 PolarHBondContact O-N 3.16Å; V53-S55 PolarHBondContact O-N 3.49Å; V53-S55 VanDerWaalsContact O-N 3.07Å
54L53.6Low64.9Low48 Ų4868.4 Ų68.425%0.25135%0.347SS..  trans-56.1116.3178.2-72.4165.6000109.9V50 L58 F95V50-L54 HydrophobicContact CG1-CD2 4.23Å; V50-L54 PolarHBondContact O-N 3.18Å; L54-L58 HydrophobicContact CD2-CD2 3.84Å; L54-F95 HydrophobicContact CD1-CD1 3.88Å; L54-F95 HydrophobicContact CD1-CE1 3.61Å; L54-F95 HydrophobicContact CD2-CE1 3.99Å; L54-F95 HydrophobicContact CG-CE1 4.46Å
55S52.9Low63.1Low54 Ų5469.9 Ų69.938%0.37836%0.357SS..  trans-75.7144.1168.867.10000109.1V53 D57 L58 C59V53-S55 PolarHBondContact O-N 3.49Å; V53-S55 VanDerWaalsContact O-N 3.07Å; S55-D57 PolarHBondContact O-N 3.42Å; S55-L58 PolarHBondContact O-N 3.37Å; S55-L58 PolarHBondContact OG-N 2.91Å; S55-C59 PolarHBondContact O-N 2.92Å
56D54.4Low61.6Low121 Ų12174.8 Ų74.865%0.64739%0.391SS*.Hα-helixtrans-51.3-29.4173.4-71.2-24.5000112.2C59 R60D56-C59 PolarHBondContact O-N 2.9Å; D56-R60 WeakPolarHBondContact O-CG 3.24Å; D56-R60 PolarHBondContact O-N 3.21Å
57D54.9Low60.8Low88 Ų8882.5 Ų82.547%0.47143%0.427SS..Hα-helixtrans-68.2-37.3179.7-128.838.4000113.1S55 R60 K61S55-D57 PolarHBondContact O-N 3.42Å; D57-R60 IonicContact OD1-NH1 2.97Å; D57-R60 PolarHBondContact OD1-NH1 3.25Å; D57-K61 PolarHBondContact O-N 3.23Å
58L60.6Low60.8Low13 Ų1382 Ų827%0.06843%0.425CS..Hα-helixtrans-72.5-40175.4-172.865.1000110.8V10 L46 V50 L54 S55 R60 K61 I62V10-L58 HydrophobicContact CG1-CD1 3.87Å; V10-L58 HydrophobicContact CG1-CD2 4.42Å; V10-L58 HydrophobicContact CG2-CD1 4.34Å; L46-L58 HydrophobicContact CD2-CD2 4.33Å; V50-L58 HydrophobicContact CG1-CD2 3.79Å; L54-L58 HydrophobicContact CD2-CD2 3.84Å; S55-L58 PolarHBondContact O-N 3.37Å; S55-L58 PolarHBondContact OG-N 2.91Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.41Å; L58-K61 PolarHBondContact O-N 3.14Å; L58-K61 VanDerWaalsContact O-N 3.16Å; L58-I62 HydrophobicContact CD1-CD1 4.04Å; L58-I62 HydrophobicContact CD1-CG1 4.37Å; L58-I62 HydrophobicContact CD2-CD1 4.25Å; L58-I62 HydrophobicContact CG-CD1 3.7Å; L58-I62 HydrophobicContact CG-CG1 4.37Å; L58-I62 WeakPolarHBondContact O-CB 3.49Å; L58-I62 VanDerWaalsContact O-CG1 3.28Å; L58-I62 WeakPolarHBondContact O-CG1 3.06Å; L58-I62 PolarHBondContact O-N 3.34Å
59C60.6Low61.3Low39 Ų3984.7 Ų84.726%0.26443%0.434SS..Hα-helixtrans-58.3-39.8173.5-70.90000112.2S55 D56 I62 N63S55-C59 PolarHBondContact O-N 2.92Å; D56-C59 PolarHBondContact O-N 2.9Å; C59-I62 PolarHBondContact O-N 3.38Å; C59-N63 WeakPolarHBondContact O-CB 3.25Å; C59-N63 PolarHBondContact O-N 3.26Å
60R62.9Low62.3Low163 Ų16381 Ų8162%0.61542%0.418SS*.Hα-helixtrans-65.4-39.7175-72.9-176.5-154.2121.43.4113D56 D57 L58 I62D56-R60 WeakPolarHBondContact O-CG 3.24Å; D56-R60 PolarHBondContact O-N 3.21Å; D57-R60 IonicContact OD1-NH1 2.97Å; D57-R60 PolarHBondContact OD1-NH1 3.25Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.41Å; R60-I62 VanDerWaalsContact C-N 3.34Å
61K63.4Low63.5Low152 Ų15280.6 Ų80.666%0.66142%0.415SS*.Hα-helixtrans-68.8-32.8177.4-74.3177-177.9171.20112.8L37 D57 L58L37-K61 WeakPolarHBondContact CD2-O 3.45Å; D57-K61 PolarHBondContact O-N 3.23Å; L58-K61 PolarHBondContact O-N 3.14Å; L58-K61 VanDerWaalsContact O-N 3.16Å
62I63Low65.1Low7 Ų781.7 Ų81.74%0.03642%0.416CS..Hα-helixtrans-83.9-22.7-178.9-66.4175.3000112L44 L46 L58 C59 R60 N64 I70 F95L44-I62 HydrophobicContact CD1-CD1 4.45Å; L44-I62 HydrophobicContact CD1-CG1 4.05Å; L44-I62 HydrophobicContact CD1-CG2 4.42Å; L44-I62 HydrophobicContact CD2-CD1 4.26Å; L46-I62 HydrophobicContact CD2-CD1 4.37Å; L58-I62 HydrophobicContact CD1-CD1 4.04Å; L58-I62 HydrophobicContact CD1-CG1 4.37Å; L58-I62 HydrophobicContact CD2-CD1 4.25Å; L58-I62 HydrophobicContact CG-CD1 3.7Å; L58-I62 HydrophobicContact CG-CG1 4.37Å; L58-I62 WeakPolarHBondContact O-CB 3.49Å; L58-I62 VanDerWaalsContact O-CG1 3.28Å; L58-I62 WeakPolarHBondContact O-CG1 3.06Å; L58-I62 PolarHBondContact O-N 3.34Å; C59-I62 PolarHBondContact O-N 3.38Å; R60-I62 VanDerWaalsContact C-N 3.34Å; I62-N64 PolarHBondContact O-N 2.9Å; I62-I70 HydrophobicContact CG2-CD1 3.47Å; I62-I70 VanDerWaalsContact CG2-CD1 3.47Å; I62-I70 HydrophobicContact CG2-CG1 4.5Å; I62-F95 HydrophobicContact CD1-CZ 4.39Å; I62-F95 HydrophobicContact CG2-CZ 4.48Å
63N53.9Low66.8Low109 Ų10975.1 Ų75.158%0.58339%0.388SS*.  trans-63.3103.1-178.2-104.3-6.3000111.9C59C59-N63 WeakPolarHBondContact O-CB 3.25Å; C59-N63 PolarHBondContact O-N 3.26Å
64N54.5Low68.7Low138 Ų13870.9 Ų70.974%0.73836%0.363SS*.  trans103.779.4160.4-147.618.8000116.7I62I62-N64 PolarHBondContact O-N 2.9Å
65P52.8Low70.7Confident34 Ų3468.7 Ų68.722%0.22135%0.352CS..  -129.9126127.84.817.9000111.1H67 T68P65-H67 PolarHBondContact O-N 3.17Å; P65-T68 WeakPolarHBondContact CB-OG1 3.3Å; P65-T68 VanDerWaalsContact CG-OG1 3.26Å; P65-T68 WeakPolarHBondContact CG-OG1 3.27Å; P65-T68 PolarHBondContact O-N 2.75Å
66S60.5Low72.6Confident103 Ų10366.1 Ų66.172%0.7233%0.334SS*.THydrogen-bonded Turntrans-59.1-12-178.541.10000115.2
67H71.1Confident74.4Confident161 Ų16161.6 Ų61.675%0.74531%0.31SS*.THydrogen-bonded Turntrans-117.64.7-175.6-65.4-73000115P65P65-H67 PolarHBondContact O-N 3.17Å
68T81.9Confident76Confident23 Ų2359.3 Ų59.314%0.14130%0.298CS..PPolyproline II helixtrans-94.1121-177.4-51.20000111.6V41 T42 L44 P65V41-T68 HydrophobicContact CG1-CG2 4.02Å; V41-T68 WeakPolarHBondContact O-CB 3Å; V41-T68 WeakPolarHBondContact O-CG2 3.41Å; V41-T68 PolarHBondContact O-OG1 3.13Å; T42-T68 CarbonylContact O-C 3.44Å; T42-T68 WeakPolarHBondContact O-CA 3.08Å; L44-T68 HydrophobicContact CB-CG2 3.72Å; P65-T68 WeakPolarHBondContact CB-OG1 3.3Å; P65-T68 VanDerWaalsContact CG-OG1 3.26Å; P65-T68 WeakPolarHBondContact CG-OG1 3.27Å; P65-T68 PolarHBondContact O-N 2.75Å
69K88.8Confident77.5Confident107 Ų10758.7 Ų58.747%0.46530%0.295SS..EExtended strand (participates in β ladder)trans-82125.8171.8-65.7176.8-177172.20109.3T42 I43 L44 V71T42-K69 PolarHBondContact O-N 2.85Å; I43-K69 WeakPolarHBondContact CA-O 3.47Å; L44-K69 PolarHBondContact N-O 2.84Å; K69-V71 HydrophobicContact CB-CG2 4.06Å
70I88.2Confident78.9Confident23 Ų2358.6 Ų58.612%0.11829%0.292CS..EExtended strand (participates in β ladder)trans-99.7117.8177.3-54.9169.2000108.4L44 L46 I62 A92 V93 F95L44-I70 HydrophobicContact CB-CG1 4.27Å; L44-I70 HydrophobicContact CD2-CG2 3.91Å; L44-I70 WeakPolarHBondContact O-CA 3.47Å; L46-I70 HydrophobicContact CD1-CG2 3.5Å; L46-I70 HydrophobicContact CG-CG2 4.09Å; I62-I70 HydrophobicContact CG2-CD1 3.47Å; I62-I70 VanDerWaalsContact CG2-CD1 3.47Å; I62-I70 HydrophobicContact CG2-CG1 4.5Å; I70-A92 WeakPolarHBondContact O-CA 3.12Å; I70-V93 HydrophobicContact CG2-CB 4.07Å; I70-V93 PolarHBondContact O-N 2.89Å; I70-F95 HydrophobicContact CB-CE2 4.14Å; I70-F95 HydrophobicContact CD1-CD2 4.02Å; I70-F95 HydrophobicContact CD1-CE2 3.27Å; I70-F95 HydrophobicContact CD1-CZ 3.98Å; I70-F95 HydrophobicContact CG1-CE2 4.27Å; I70-F95 HydrophobicContact CG2-CE2 3.85Å; I70-F95 HydrophobicContact CG2-CZ 4.04Å
71V91.5Very high79.9Confident2 Ų258.5 Ų58.51%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-135.9144.3-167.6-162.90000110.4I43 L44 L45 L46 K69 W75 Y91I43-V71 HydrophobicContact CG2-CG2 4.34Å; L44-V71 PolarHBondContact O-N 2.87Å; L45-V71 WeakPolarHBondContact CA-O 3.4Å; L45-V71 HydrophobicContact CD2-CB 4.49Å; L46-V71 PolarHBondContact N-O 2.86Å; K69-V71 HydrophobicContact CB-CG2 4.06Å; V71-W75 HydrophobicContact CG1-CB 3.54Å; V71-W75 HydrophobicContact CG1-CD2 4.03Å; V71-W75 HydrophobicContact CG1-CE3 4.23Å; V71-W75 HydrophobicContact CG1-CG 3.73Å; V71-Y91 WeakPolarHBondContact CA-O 3.2Å
72R91.1Very high80.9Confident67 Ų6759 Ų5925%0.25329%0.294SS..EExtended strand (participates in β ladder)trans-64.8145.6172.7-68.2-170.9-167.994.46.2111.9L46 D48 D51 S74 W75 Y91 V93L46-R72 CarbonylContact O-C 3.57Å; L46-R72 WeakPolarHBondContact O-CA 3.47Å; D48-R72 WeakPolarHBondContact OD1-CB 3.38Å; D51-R72 IonicContact OD2-CZ 2.7Å; D51-R72 IonicContact OD2-NE 3.46Å; D51-R72 PolarHBondContact OD2-NE 2.96Å; D51-R72 IonicContact OD2-NH2 3.64Å; D51-R72 PolarHBondContact OD2-NH2 2.91Å; R72-S74 PolarHBondContact O-N 3.21Å; R72-W75 VanDerWaalsContact O-CB 3.29Å; R72-W75 WeakPolarHBondContact O-CB 3.42Å; R72-W75 PolarHBondContact O-N 3.37Å; R72-Y91 PolarHBondContact N-O 3.43Å; R72-V93 HydrophobicContact CG-CG2 3.69Å
73L91.9Very high82.1Confident6 Ų664.2 Ų64.23%0.03132%0.321CS..Hα-helixtrans-61.7-29.7-178.3-17561.3000112.3L9 V14 F22 L45 L46 D48 W75 L76 V77L9-L73 HydrophobicContact CD1-CD1 4.04Å; L9-L73 HydrophobicContact CD1-CD2 4.48Å; L9-L73 HydrophobicContact CD2-CD1 4.39Å; V14-L73 HydrophobicContact CG2-CD2 3.98Å; F22-L73 HydrophobicContact CD2-CD1 4.31Å; F22-L73 HydrophobicContact CE2-CD1 3.94Å; F22-L73 HydrophobicContact CE2-CD2 3.9Å; F22-L73 HydrophobicContact CE2-CG 4.23Å; F22-L73 HydrophobicContact CZ-CD1 4.16Å; F22-L73 HydrophobicContact CZ-CD2 4.31Å; F22-L73 HydrophobicContact CZ-CG 4.3Å; L45-L73 HydrophobicContact CB-CD1 4.44Å; L45-L73 HydrophobicContact CD1-CD1 4.13Å; L46-L73 WeakPolarHBondContact O-CB 3.39Å; L46-L73 PolarHBondContact O-N 3.41Å; D48-L73 PolarHBondContact OD1-N 3.33Å; L73-W75 PolarHBondContact O-N 3.17Å; L73-L76 HydrophobicContact CD1-CD2 4.46Å; L73-L76 PolarHBondContact O-N 3.1Å; L73-L76 VanDerWaalsContact O-N 3.12Å; L73-V77 PolarHBondContact O-N 2.82Å
74S89.9Confident83.8Confident30 Ų3063.1 Ų63.121%0.2132%0.318CS..Hα-helixtrans-52.6-31.9171.148.30000113.9D48 R72 V77 D78D48-S74 PolarHBondContact OD1-N 3.17Å; D48-S74 PolarHBondContact OD1-OG 2.85Å; D48-S74 WeakPolarHBondContact OD2-CB 3.46Å; D48-S74 PolarHBondContact OD2-OG 2.95Å; R72-S74 PolarHBondContact O-N 3.21Å; S74-V77 PolarHBondContact O-N 2.83Å; S74-D78 WeakPolarHBondContact O-CB 3.48Å; S74-D78 PolarHBondContact O-N 2.86Å
75W95.2Very high85.6Confident2 Ų260.8 Ų60.81%0.00830%0.302CS..Hα-helixtrans-60.8-47.9175.8177.970.9000112.3F2 F7 I43 L45 V71 R72 L73 V77 D78 C79 K85 L86 Y91F2-W75 HydrophobicContact CE1-CH2 4.28Å; F7-W75 AromaticContact CE1-CZ3 3.79Å; F7-W75 HydrophobicContact CE1-CZ3 3.79Å; F7-W75 HydrophobicContact CZ-CH2 4.49Å; F7-W75 HydrophobicContact CZ-CZ3 4.2Å; I43-W75 HydrophobicContact CD1-CH2 3.66Å; I43-W75 HydrophobicContact CD1-CZ3 3.76Å; I43-W75 HydrophobicContact CG2-CZ3 4.12Å; L45-W75 HydrophobicContact CD2-CE3 4.3Å; V71-W75 HydrophobicContact CG1-CB 3.54Å; V71-W75 HydrophobicContact CG1-CD2 4.03Å; V71-W75 HydrophobicContact CG1-CE3 4.23Å; V71-W75 HydrophobicContact CG1-CG 3.73Å; R72-W75 VanDerWaalsContact O-CB 3.29Å; R72-W75 WeakPolarHBondContact O-CB 3.42Å; R72-W75 PolarHBondContact O-N 3.37Å; L73-W75 PolarHBondContact O-N 3.17Å; W75-V77 VanDerWaalsContact C-N 3.31Å; W75-V77 PolarHBondContact O-N 3.3Å; W75-D78 PolarHBondContact O-N 3.41Å; W75-C79 VanDerWaalsContact CE2-SG 3.56Å; W75-C79 PolarHBondContact O-N 3Å; W75-C79 PolarHBondContact O-SG 3.37Å; W75-K85 HydrophobicContact CZ2-CG 4.19Å; W75-L86 PolarHBondContact NE1-O 3.05Å; W75-Y91 HydrophobicContact CB-CD1 3.67Å; W75-Y91 HydrophobicContact CB-CD2 4.05Å; W75-Y91 HydrophobicContact CB-CE1 4.26Å; W75-Y91 HydrophobicContact CB-CG 3.55Å; W75-Y91 AromaticContact CD1-CD2 3.4Å; W75-Y91 AromaticContact CD1-CE2 3.72Å; W75-Y91 AromaticContact CD1-CG 3.85Å; W75-Y91 HydrophobicContact CG-CD2 4.06Å; W75-Y91 HydrophobicContact CG-CG 4.04Å
76L94.6Very high87.5Confident0 Ų060.9 Ų60.90%030%0.3CS..Hα-helixtrans-63-42.7178.3176.662.9000110.1F2 F7 F22 V26 L45 L73 D78 C79 L80F2-L76 HydrophobicContact CE2-CD1 3.91Å; F2-L76 HydrophobicContact CZ-CD1 3.73Å; F7-L76 HydrophobicContact CE1-CD1 4.28Å; F22-L76 HydrophobicContact CB-CD2 4.26Å; F22-L76 HydrophobicContact CD1-CD2 3.82Å; F22-L76 HydrophobicContact CD1-CG 4.49Å; F22-L76 HydrophobicContact CE1-CD2 4.4Å; F22-L76 HydrophobicContact CG-CD2 4.17Å; V26-L76 HydrophobicContact CG2-CD1 3.85Å; V26-L76 HydrophobicContact CG2-CD2 3.9Å; L45-L76 HydrophobicContact CD1-CB 4.23Å; L45-L76 HydrophobicContact CD1-CD2 3.64Å; L45-L76 HydrophobicContact CD1-CG 4.5Å; L45-L76 HydrophobicContact CD2-CB 4.39Å; L73-L76 HydrophobicContact CD1-CD2 4.46Å; L73-L76 PolarHBondContact O-N 3.1Å; L73-L76 VanDerWaalsContact O-N 3.12Å; L76-D78 VanDerWaalsContact C-N 3.33Å; L76-D78 PolarHBondContact O-N 3.37Å; L76-C79 PolarHBondContact O-N 3.07Å; L76-L80 HydrophobicContact CD1-CD1 4.2Å; L76-L80 HydrophobicContact CD1-CG 4.22Å; L76-L80 HydrophobicContact CG-CD1 4.06Å; L76-L80 HydrophobicContact CG-CG 4.49Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 3.16Å
77V90.7Very high88.9Confident26 Ų2660.9 Ų60.916%0.15829%0.292CS..Hα-helixtrans-59.6-44.3177.9175.50000111.2F22 L73 S74 W75 L80 K81F22-V77 HydrophobicContact CE1-CG2 3.96Å; F22-V77 HydrophobicContact CZ-CG2 3.9Å; L73-V77 PolarHBondContact O-N 2.82Å; S74-V77 PolarHBondContact O-N 2.83Å; W75-V77 VanDerWaalsContact C-N 3.31Å; W75-V77 PolarHBondContact O-N 3.3Å; V77-L80 PolarHBondContact O-N 2.98Å; V77-K81 HydrophobicContact CG1-CD 4.09Å; V77-K81 HydrophobicContact CG1-CG 4.45Å; V77-K81 WeakPolarHBondContact O-CB 3.28Å; V77-K81 WeakPolarHBondContact O-CG 3.47Å; V77-K81 PolarHBondContact O-N 3.44Å
78D89.4Confident89.8Confident40 Ų4054 Ų5421%0.21426%0.262CS..Hα-helixtrans-73-33.9-179.1-78.5-5.7000112.7S74 W75 L76 L80 R82 L86 Y91S74-D78 WeakPolarHBondContact O-CB 3.48Å; S74-D78 PolarHBondContact O-N 2.86Å; W75-D78 PolarHBondContact O-N 3.41Å; L76-D78 VanDerWaalsContact C-N 3.33Å; L76-D78 PolarHBondContact O-N 3.37Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-R82 WeakPolarHBondContact O-CB 3.04Å; D78-R82 WeakPolarHBondContact O-CG 3.37Å; D78-R82 PolarHBondContact O-N 3.29Å; D78-L86 HydrophobicContact CB-CD1 3.63Å; D78-Y91 PolarHBondContact OD2-OH 2.99Å
79C91Very high90.1Very high0 Ų057.6 Ų57.60%028%0.284CS..Hα-helixtrans-60.8-44.8170.6-67.10000111.3F2 W75 L76 N83 V84 L86F2-C79 HydrophobicContact CE1-CB 3.96Å; F2-C79 HydrophobicContact CZ-CB 3.76Å; W75-C79 VanDerWaalsContact CE2-SG 3.56Å; W75-C79 PolarHBondContact O-N 3Å; W75-C79 PolarHBondContact O-SG 3.37Å; L76-C79 PolarHBondContact O-N 3.07Å; C79-N83 WeakPolarHBondContact O-CA 3.33Å; C79-N83 PolarHBondContact O-N 3.36Å; C79-V84 VanDerWaalsContact CA-O 3.3Å; C79-V84 WeakPolarHBondContact CA-O 3.43Å; C79-V84 PolarHBondContact O-N 3.47Å; C79-L86 PolarHBondContact SG-N 3.24Å
80L90.5Very high90Very high37 Ų3756.8 Ų56.819%0.19429%0.29CS..Hα-helixtrans-67.1-43.8178.6-68.3172.7000112F2 F22 Q25 L76 V77 D78 R82 N83F2-L80 HydrophobicContact CE2-CD2 4.16Å; F22-L80 HydrophobicContact CD1-CD1 4.3Å; F22-L80 HydrophobicContact CE1-CD1 4.5Å; Q25-L80 HydrophobicContact CB-CD1 3.92Å; Q25-L80 HydrophobicContact CB-CD2 4.03Å; Q25-L80 HydrophobicContact CG-CD1 4.4Å; L76-L80 HydrophobicContact CD1-CD1 4.2Å; L76-L80 HydrophobicContact CD1-CG 4.22Å; L76-L80 HydrophobicContact CG-CD1 4.06Å; L76-L80 HydrophobicContact CG-CG 4.49Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 3.16Å; V77-L80 PolarHBondContact O-N 2.98Å; D78-L80 VanDerWaalsContact C-N 3.34Å; L80-R82 VanDerWaalsContact C-N 3.33Å; L80-R82 PolarHBondContact O-N 2.83Å; L80-N83 PolarHBondContact O-N 2.99Å
81K83.8Confident90.1Very high161 Ų16157.7 Ų57.770%0.729%0.292SS*.Hα-helixtrans-62.4-38178.2-78.4176.7179.8173.40113.2V77V77-K81 HydrophobicContact CG1-CD 4.09Å; V77-K81 HydrophobicContact CG1-CG 4.45Å; V77-K81 WeakPolarHBondContact O-CB 3.28Å; V77-K81 WeakPolarHBondContact O-CG 3.47Å; V77-K81 PolarHBondContact O-N 3.44Å
82R85Confident89.9Confident164 Ų16459.6 Ų59.662%0.61931%0.308SS*.Hα-helixtrans-91.6-5.7-178.3-62.6-179-171.5-1363.3113.1D78 L80 V84D78-R82 WeakPolarHBondContact O-CB 3.04Å; D78-R82 WeakPolarHBondContact O-CG 3.37Å; D78-R82 PolarHBondContact O-N 3.29Å; L80-R82 VanDerWaalsContact C-N 3.33Å; L80-R82 PolarHBondContact O-N 2.83Å; R82-V84 PolarHBondContact O-N 3.44Å
83N87.4Confident89.3Confident116 Ų11657 Ų5762%0.6230%0.299SS*.THydrogen-bonded Turntrans51.136.2-173.8-159.732.8000113.7M1 C79 L80M1-N83 HydrophobicContact CE-CB 4.37Å; M1-N83 WeakPolarHBondContact CE-O 3.48Å; M1-N83 WeakPolarHBondContact CE-OD1 3.48Å; C79-N83 WeakPolarHBondContact O-CA 3.33Å; C79-N83 PolarHBondContact O-N 3.36Å; L80-N83 PolarHBondContact O-N 2.99Å
84V90.3Very high88.2Confident86 Ų8665.1 Ų65.152%0.52134%0.337SS..SBendtrans-147.3139.1-178.6175.20000109.6C79 R82 L86C79-V84 VanDerWaalsContact CA-O 3.3Å; C79-V84 WeakPolarHBondContact CA-O 3.43Å; C79-V84 PolarHBondContact O-N 3.47Å; R82-V84 PolarHBondContact O-N 3.44Å; V84-L86 PolarHBondContact O-N 2.92Å
85K92.1Very high87Confident88 Ų8865.1 Ų65.138%0.38333%0.334SS..  trans-69.1110173-174.1178.8-177.6176.10109.9M1 E5 W75M1-K85 HydrophobicContact CG-CB 4.23Å; E5-K85 IonicContact OE1-NZ 3.31Å; E5-K85 PolarHBondContact OE1-NZ 2.68Å; W75-K85 HydrophobicContact CZ2-CG 4.19Å
86L91.8Very high84.5Confident37 Ų3771.6 Ų71.619%0.19438%0.376CS..  trans-81.3157.4177.4-58177000111.2W75 D78 C79 V84 S88W75-L86 PolarHBondContact NE1-O 3.05Å; D78-L86 HydrophobicContact CB-CD1 3.63Å; C79-L86 PolarHBondContact SG-N 3.24Å; V84-L86 PolarHBondContact O-N 2.92Å; L86-S88 PolarHBondContact O-N 2.9Å
87D91.1Very high82.1Confident102 Ų10275.1 Ų75.155%0.54541%0.412SS..  trans-58.6129.6167.6178.726.2000110.2T89 P90D87-T89 PolarHBondContact OD1-N 3.49Å; D87-T89 VanDerWaalsContact OD1-N 3.11Å; D87-T89 PolarHBondContact OD1-OG1 3.39Å; D87-T89 VanDerWaalsContact OD2-CB 3.23Å; D87-T89 WeakPolarHBondContact OD2-CB 3.47Å; D87-T89 PolarHBondContact OD2-OG1 3.23Å; D87-T89 VanDerWaalsContact OD2-OG1 3.1Å; D87-P90 WeakPolarHBondContact O-CD 3.39Å
88S90Very high79.6Confident18 Ų1878.4 Ų78.413%0.12642%0.424CS..SBendtrans-81.5-16.3-179.156.70000113L86 P90 Y91 A92L86-S88 PolarHBondContact O-N 2.9Å; S88-P90 VanDerWaalsContact C-CD 3.45Å; S88-Y91 CarbonylContact O-C 3.6Å; S88-Y91 PolarHBondContact O-N 3.23Å; S88-A92 PolarHBondContact O-N 3.08Å; S88-A92 VanDerWaalsContact O-N 3.08Å
89T87.7Confident76.7Confident97 Ų9788 Ų8860%0.59546%0.458SS*.G310 helixtrans-53.6-43.6-175-47.70000114D87 Y91 A92D87-T89 PolarHBondContact OD1-N 3.49Å; D87-T89 VanDerWaalsContact OD1-N 3.11Å; D87-T89 PolarHBondContact OD1-OG1 3.39Å; D87-T89 VanDerWaalsContact OD2-CB 3.23Å; D87-T89 WeakPolarHBondContact OD2-CB 3.47Å; D87-T89 PolarHBondContact OD2-OG1 3.23Å; D87-T89 VanDerWaalsContact OD2-OG1 3.1Å; T89-Y91 PolarHBondContact O-N 3.12Å; T89-A92 WeakPolarHBondContact O-CB 3.29Å; T89-A92 PolarHBondContact O-N 3.43Å
90P87.4Confident73.8Confident90 Ų9097 Ų9758%0.58450%0.497SS*.G310 helixtrans-66.3-20.9178-19.232.5000114D87 S88D87-P90 WeakPolarHBondContact O-CD 3.39Å; S88-P90 VanDerWaalsContact C-CD 3.45Å
91Y90.2Very high70.6Confident43 Ų43104.6 Ų104.617%0.16953%0.531CS..G310 helixtrans-104.4-2.1-175-56.2-97.9000112.3V71 R72 W75 D78 S88 T89V71-Y91 WeakPolarHBondContact CA-O 3.2Å; R72-Y91 PolarHBondContact N-O 3.43Å; W75-Y91 HydrophobicContact CB-CD1 3.67Å; W75-Y91 HydrophobicContact CB-CD2 4.05Å; W75-Y91 HydrophobicContact CB-CE1 4.26Å; W75-Y91 HydrophobicContact CB-CG 3.55Å; W75-Y91 AromaticContact CD1-CD2 3.4Å; W75-Y91 AromaticContact CD1-CE2 3.72Å; W75-Y91 AromaticContact CD1-CG 3.85Å; W75-Y91 HydrophobicContact CG-CD2 4.06Å; W75-Y91 HydrophobicContact CG-CG 4.04Å; D78-Y91 PolarHBondContact OD2-OH 2.99Å; S88-Y91 CarbonylContact O-C 3.6Å; S88-Y91 PolarHBondContact O-N 3.23Å; T89-Y91 PolarHBondContact O-N 3.12Å
92A87.2Confident67.7Low42 Ų42100 Ų10035%0.34753%0.529SS..BIsolated β-bridgetrans-64.5137.6-179.700000110.9I70 S88 T89I70-A92 WeakPolarHBondContact O-CA 3.12Å; S88-A92 PolarHBondContact O-N 3.08Å; S88-A92 VanDerWaalsContact O-N 3.08Å; T89-A92 WeakPolarHBondContact O-CB 3.29Å; T89-A92 PolarHBondContact O-N 3.43Å
93V78.6Confident64.7Low11 Ų11101 Ų1017%0.06754%0.541CS..  trans-96.3128.9175.2-179.90000108.8L46 D51 I70 R72 F95L46-V93 HydrophobicContact CD1-CB 4.47Å; L46-V93 HydrophobicContact CD1-CG1 4.36Å; L46-V93 HydrophobicContact CD1-CG2 4.33Å; D51-V93 WeakPolarHBondContact OD1-CG1 3.41Å; I70-V93 HydrophobicContact CG2-CB 4.07Å; I70-V93 PolarHBondContact O-N 2.89Å; R72-V93 HydrophobicContact CG-CG2 3.69Å; V93-F95 HydrophobicContact CG1-CE2 4.14Å; V93-F95 HydrophobicContact CG1-CZ 4.11Å
94Q68.7Low61.5Low177 Ų177103.7 Ų103.783%0.82755%0.549SS*.  trans-104129.4178.9-65.5-172.63.400110.6
95F63.9Low58.3Low31 Ų31107 Ų10714%0.13656%0.564CS.*  trans-99.6126.7177.9-62.5-91.3000110.8L46 L54 I62 I70 V93 G97 F98L46-F95 HydrophobicContact CD1-CZ 4.11Å; L54-F95 HydrophobicContact CD1-CD1 3.88Å; L54-F95 HydrophobicContact CD1-CE1 3.61Å; L54-F95 HydrophobicContact CD2-CE1 3.99Å; L54-F95 HydrophobicContact CG-CE1 4.46Å; I62-F95 HydrophobicContact CD1-CZ 4.39Å; I62-F95 HydrophobicContact CG2-CZ 4.48Å; I70-F95 HydrophobicContact CB-CE2 4.14Å; I70-F95 HydrophobicContact CD1-CD2 4.02Å; I70-F95 HydrophobicContact CD1-CE2 3.27Å; I70-F95 HydrophobicContact CD1-CZ 3.98Å; I70-F95 HydrophobicContact CG1-CE2 4.27Å; I70-F95 HydrophobicContact CG2-CE2 3.85Å; I70-F95 HydrophobicContact CG2-CZ 4.04Å; V93-F95 HydrophobicContact CG1-CE2 4.14Å; V93-F95 HydrophobicContact CG1-CZ 4.11Å; F95-G97 PolarHBondContact O-N 2.86Å; F95-F98 PolarHBondContact O-N 3.39Å
96P44Very low54.9Low138 Ų138108 Ų10890%0.89658%0.582SS**THydrogen-bonded Turntrans-68.998.9170.226.2-29.4000109.2
97G43.1Very low51.5Low74 Ų74112.6 Ų112.676%0.76361%0.611SS**THydrogen-bonded Turntrans142.8-13.8-177.500000114.4F95 R99F95-G97 PolarHBondContact O-N 2.86Å; G97-R99 PolarHBondContact O-N 3.35Å; G97-R99 VanDerWaalsContact O-N 3.09Å
98F39.1Very low48Very low94 Ų94113.8 Ų113.841%0.41263%0.626SS.*  trans-78.390.7176.4-130.3-97.3000110.2F95 K100F95-F98 PolarHBondContact O-N 3.39Å; F98-K100 PolarHBondContact O-N 2.92Å
99R27Very low44.6Very low243 Ų243117.6 Ų117.692%0.91765%0.653SS**  trans-70.195.4168.2-74-172.8-179.7-171.70.4108.7G97 H101G97-R99 PolarHBondContact O-N 3.35Å; G97-R99 VanDerWaalsContact O-N 3.09Å; R99-H101 PolarHBondContact O-N 2.87Å
100K31.6Very low41.5Very low188 Ų188118.6 Ų118.682%0.81766%0.664SS**  trans-67.5112.5158-81.1-175.3174.3-179.10107.4F98 G102F98-K100 PolarHBondContact O-N 2.92Å; K100-G102 PolarHBondContact O-N 3.29Å
101H23.2Very low38.2Very low197 Ų197123.5 Ų123.591%0.91268%0.676SS**  trans-62.2122.3163.7-108.3-37.2000108.6R99R99-H101 PolarHBondContact O-N 2.87Å
102G21.5Very low35Very low64 Ų64130.5 Ų130.566%0.6671%0.711SS**  trans63.3105.1152.700000117.9K100K100-G102 PolarHBondContact O-N 3.29Å
103H23.5Very low31.9Very low186 Ų186133.2 Ų133.286%0.86173%0.727SS**  -171.8122102.6-116.8-85000109.4
104E19.2Very low29.2Very low172 Ų172139.7 Ų139.780%0.80477%0.766SS**  trans-63.4141.3162.7-64.2169.3149.100108.7
105D22.6Very low27.1Very low154 Ų154140 Ų14082%0.82477%0.767SS**  -175.8123.9126.5-88.4-29.5000113.1
106S22.3Very low25.2Very low110 Ų110147.4 Ų147.477%0.76980%0.803SS**  trans59.1103139.5-159.80000122.1
107V19.4Very low24.4Very low133 Ų133148.7 Ų148.781%0.80680%0.802SS**  trans-11.3132.6130.4-178.30000116.1
108C18.1Very low23.6Very low127 Ų127150.2 Ų150.286%0.85880%0.801SS**  trans-149.7130.5135.8-159.50000111.2
109S18.2Very low23Very low98 Ų98151.1 Ų151.169%0.68582%0.816SS**  trans-96.6133.2176.7147.80000108.4
110S22.7Very low23.1Very low119 Ų119147.7 Ų147.783%0.83282%0.815SS**  trans-142120.4155.640.50000110.5
111K18.5Very low22.8Very low193 Ų193147.7 Ų147.784%0.83982%0.818SS**  trans-82.6148.1160.4-72.6174.7173.1177.50108.5
112E21.9Very low22.9Very low190 Ų190148.2 Ų148.289%0.88882%0.818SS**  trans138.5145.9157-86.7171.8176.700107.3
113S22.1Very low23.2Very low99 Ų99153.3 Ų153.369%0.69282%0.824SS**  cis-161158-1734.50000104.8E115S113-E115 PolarHBondContact O-N 3.38Å
114V22.3Very low23.3Very low146 Ų146149.9 Ų149.989%0.88582%0.819SS**  trans-75.9109.3-178.11790000108.8
115E25.2Very low23.5Very low183 Ų183153.7 Ų153.786%0.85583%0.826SS**  trans-95.6130.2166.8-82.2-170.9163.800110.6S113S113-E115 PolarHBondContact O-N 3.38Å
116E23.3Very low23.7Very low188 Ų188156.7 Ų156.788%0.87983%0.825SS**  trans-67.7149.6-179.7-70.8177.8147.700112.9S118E116-S118 PolarHBondContact O-N 3.27Å
117D27.1Very low23.9Very low165 Ų165159.4 Ų159.488%0.88283%0.826SS**  trans-53110-178.6-160.818.1000112.3
118S26.1Very low24.2Very low106 Ų106162.1 Ų162.174%0.74183%0.829SS**  trans-89.3135.1171.7-171.40000110.3E116E116-S118 PolarHBondContact O-N 3.27Å
119P28.1Very low24.7Very low113 Ų113160.6 Ų160.673%0.73481%0.812SS**  trans-73.6140.9-161.1-13.229000113.6Q121P119-Q121 PolarHBondContact O-N 2.84Å; P119-Q121 VanDerWaalsContact O-N 3.14Å
120L28.2Very low25.5Very low171 Ų171162.5 Ų162.590%0.89581%0.814SS**  trans-35.2112.8171.9-74.1158.4000112.8K122L120-K122 PolarHBondContact O-N 3.47Å; L120-K122 VanDerWaalsContact O-N 3.16Å
121Q25.3Very low26.4Very low187 Ų187160.6 Ų160.687%0.87480%0.801SS**  trans-56.7115.7172.1-71.9178.3-10.400110P119 Q123P119-Q121 PolarHBondContact O-N 2.84Å; P119-Q121 VanDerWaalsContact O-N 3.14Å; Q121-Q123 PolarHBondContact O-N 2.64Å
122K24.9Very low27.8Very low208 Ų208152.7 Ų152.790%0.90477%0.77SS**PPolyproline II helixtrans-62.3118166.4-75.9178.1178.1175.20108.4L120L120-K122 PolarHBondContact O-N 3.47Å; L120-K122 VanDerWaalsContact O-N 3.16Å
123Q27.7Very low29.1Very low172 Ų172150.3 Ų150.380%0.80476%0.759SS**PPolyproline II helixtrans-64.5150.3169.7-73.8-169.8-13.500110.8Q121Q121-Q123 PolarHBondContact O-N 2.64Å
124P25.7Very low30.9Very low114 Ų114149.5 Ų149.574%0.7475%0.753SS**PPolyproline II helixtrans-76.9137.6-166.318.7-11.1000112.2R126P124-R126 PolarHBondContact O-N 2.65Å
125R23Very low33Very low252 Ų252148 Ų14895%0.95174%0.736SS**PPolyproline II helixtrans-58.6120.2165.5-81.7-177.6172.4-164.9-3.3109.5
126R28.6Very low35.2Very low216 Ų216140.8 Ų140.882%0.81571%0.705SS**  trans-143.2125.5165.2-81.8-167.5170.1172.5-3.7113.2P124P124-R126 PolarHBondContact O-N 2.65Å
127E25.3Very low37.5Very low167 Ų167135.6 Ų135.678%0.7869%0.69SS**  trans50.5117.6142.2-66.3171.2-163.100120.5I129E127-I129 PolarHBondContact O-N 3.28Å
128H25Very low40Very low191 Ų191130.3 Ų130.388%0.88467%0.665SS**  trans-42.6120.4176.9-83.1-94.1000114.2
129I29.5Very low42.7Very low95 Ų95125.3 Ų125.349%0.48763%0.63SS.*  trans-119.994.1163.3-57.9176.2000107.1E127 S131E127-I129 PolarHBondContact O-N 3.28Å; I129-S131 VanDerWaalsContact C-N 3.31Å; I129-S131 PolarHBondContact O-N 3.44Å
130D35.7Very low45.2Very low137 Ų137120.5 Ų120.573%0.73360%0.599SS**Hα-helixtrans-73.9-17.5-170.8-151.913.3000113.4
131S40.9Very low47.7Very low80 Ų80115.3 Ų115.356%0.55958%0.577SS**Hα-helixtrans-88-37.1-173.5560000114.9I129 E135I129-S131 VanDerWaalsContact C-N 3.31Å; I129-S131 PolarHBondContact O-N 3.44Å; S131-E135 PolarHBondContact O-N 3.03Å
132S48.4Very low50.2Low27 Ų27107.4 Ų107.419%0.18954%0.54CS..Hα-helixtrans-77.5-27.7-175.253.30000114T136S132-T136 WeakPolarHBondContact O-CB 3.26Å; S132-T136 PolarHBondContact O-N 3.23Å; S132-T136 VanDerWaalsContact O-N 3.15Å; S132-T136 PolarHBondContact O-OG1 3.03Å
133E49.8Very low52.9Low140 Ų14097.6 Ų97.665%0.65450%0.498SS*.Hα-helixtrans-68.1-38.5175.2-72.6-175173.400111.2S137E133-S137 VanDerWaalsContact O-CB 3.29Å; E133-S137 WeakPolarHBondContact O-CB 3.33Å; E133-S137 PolarHBondContact O-N 3.11Å; E133-S137 PolarHBondContact O-OG 3.38Å
134S59.9Low55.5Low81 Ų8192.4 Ų92.457%0.56647%0.473SS*.Hα-helixtrans-60.4-49.9174.7167.30000112.2T136 S137 S138S134-T136 PolarHBondContact O-N 2.81Å; S134-S137 PolarHBondContact O-N 3.21Å; S134-S138 WeakPolarHBondContact O-CB 3.43Å; S134-S138 PolarHBondContact O-N 3.24Å
135E65.6Low57.7Low115 Ų11593.1 Ų93.154%0.53747%0.467SS..Hα-helixtrans-64.6-42.4-179.8-70.8-179.8-17600112.1S131 S138 V139S131-E135 PolarHBondContact O-N 3.03Å; E135-S138 PolarHBondContact O-N 2.9Å; E135-V139 WeakPolarHBondContact O-CG2 3.38Å; E135-V139 PolarHBondContact O-N 3.42Å
136T70.7Confident60.2Low32 Ų3281.7 Ų81.720%0.19643%0.425CS..Hα-helixtrans-66-40178.9-52.50000111.7S132 S134 S140 L170S132-T136 WeakPolarHBondContact O-CB 3.26Å; S132-T136 PolarHBondContact O-N 3.23Å; S132-T136 VanDerWaalsContact O-N 3.15Å; S132-T136 PolarHBondContact O-OG1 3.03Å; S134-T136 PolarHBondContact O-N 2.81Å; T136-S140 WeakPolarHBondContact O-CB 3.26Å; T136-S140 PolarHBondContact O-N 3Å; T136-S140 PolarHBondContact O-OG 3.49Å; T136-L170 HydrophobicContact CG2-CB 4.21Å
137S72.4Confident62.8Low79 Ų7971.4 Ų71.455%0.55239%0.386SS*.Hα-helixtrans-65.2-41.5175.7-59.30000111.4E133 S134 S140 S141E133-S137 VanDerWaalsContact O-CB 3.29Å; E133-S137 WeakPolarHBondContact O-CB 3.33Å; E133-S137 PolarHBondContact O-N 3.11Å; E133-S137 PolarHBondContact O-OG 3.38Å; S134-S137 PolarHBondContact O-N 3.21Å; S137-S140 PolarHBondContact O-N 2.83Å; S137-S141 PolarHBondContact O-N 3.11Å
138S79.1Confident65.5Low53 Ų5363.5 Ų63.537%0.37135%0.349SS..Hα-helixtrans-64.7-46.4178.4-173.70000112.4S134 E135 S140 S141 E142 Y200S134-S138 WeakPolarHBondContact O-CB 3.43Å; S134-S138 PolarHBondContact O-N 3.24Å; E135-S138 PolarHBondContact O-N 2.9Å; S138-S140 VanDerWaalsContact C-N 3.33Å; S138-S140 PolarHBondContact O-N 2.83Å; S138-S141 WeakPolarHBondContact O-CB 3.41Å; S138-S141 PolarHBondContact O-N 3.29Å; S138-E142 PolarHBondContact O-N 3.2Å; S138-E142 VanDerWaalsContact O-N 3.09Å; S138-Y200 PolarHBondContact OG-OH 3.25Å
139V81.9Confident68.4Low2 Ų255.4 Ų55.41%0.01231%0.314CS..Hα-helixtrans-58.3-46.3173.2174.90000110.8E135 S141 E142 L143 L170 I197 Y200E135-V139 WeakPolarHBondContact O-CG2 3.38Å; E135-V139 PolarHBondContact O-N 3.42Å; V139-S141 VanDerWaalsContact C-N 3.28Å; V139-S141 PolarHBondContact O-N 2.77Å; V139-E142 PolarHBondContact O-N 3.41Å; V139-L143 HydrophobicContact CG1-CD1 4.04Å; V139-L143 HydrophobicContact CG1-CG 4.21Å; V139-L143 WeakPolarHBondContact O-CG 3.35Å; V139-L143 PolarHBondContact O-N 3.32Å; V139-L170 HydrophobicContact CG1-CD1 4.24Å; V139-I197 HydrophobicContact CG1-CB 4.44Å; V139-I197 HydrophobicContact CG1-CG1 4.03Å; V139-I197 HydrophobicContact CG1-CG2 3.97Å; V139-Y200 HydrophobicContact CB-CD1 4.14Å; V139-Y200 HydrophobicContact CB-CE1 4.22Å; V139-Y200 HydrophobicContact CG2-CD1 3.25Å; V139-Y200 HydrophobicContact CG2-CE1 3.48Å; V139-Y200 VanDerWaalsContact CG2-CE1 3.48Å; V139-Y200 HydrophobicContact CG2-CG 4.15Å
140S80.6Confident71.1Confident11 Ų1151.1 Ų51.18%0.07729%0.293CS..Hα-helixtrans-61.5-39.4-178.1-61.70000111.4T136 S137 S138 L143 E144T136-S140 WeakPolarHBondContact O-CB 3.26Å; T136-S140 PolarHBondContact O-N 3Å; T136-S140 PolarHBondContact O-OG 3.49Å; S137-S140 PolarHBondContact O-N 2.83Å; S138-S140 VanDerWaalsContact C-N 3.33Å; S138-S140 PolarHBondContact O-N 2.83Å; S140-L143 PolarHBondContact O-N 2.75Å; S140-E144 PolarHBondContact O-N 2.79Å
141S80.6Confident73.5Confident62 Ų6245.2 Ų45.243%0.43426%0.261SS..Hα-helixtrans-61.2-50.8173.3-162.80000112S137 S138 V139 L143 E144 E145S137-S141 PolarHBondContact O-N 3.11Å; S138-S141 WeakPolarHBondContact O-CB 3.41Å; S138-S141 PolarHBondContact O-N 3.29Å; V139-S141 VanDerWaalsContact C-N 3.28Å; V139-S141 PolarHBondContact O-N 2.77Å; S141-L143 VanDerWaalsContact C-N 3.31Å; S141-L143 PolarHBondContact O-N 2.85Å; S141-E144 PolarHBondContact O-N 2.88Å; S141-E145 WeakPolarHBondContact O-CB 3.3Å; S141-E145 PolarHBondContact O-N 2.79Å
142E79.7Confident75.8Confident21 Ų2146.3 Ų46.310%0.09825%0.253CS..Hα-helixtrans-62.4-38.3179.8-174.773.5-168.400111.8S138 V139 V146 Y200 A209 K213S138-E142 PolarHBondContact O-N 3.2Å; S138-E142 VanDerWaalsContact O-N 3.09Å; V139-E142 PolarHBondContact O-N 3.41Å; E142-V146 WeakPolarHBondContact O-CB 3.28Å; E142-V146 PolarHBondContact O-N 3.32Å; E142-Y200 HydrophobicContact CB-CD2 4.18Å; E142-Y200 HydrophobicContact CB-CE2 3.65Å; E142-Y200 HydrophobicContact CG-CD2 3.93Å; E142-Y200 HydrophobicContact CG-CE2 3.67Å; E142-A209 HydrophobicContact CG-CB 4.36Å; E142-A209 WeakPolarHBondContact OE1-CB 3.47Å; E142-K213 WeakPolarHBondContact OE1-CE 3.46Å; E142-K213 IonicContact OE1-NZ 3.91Å; E142-K213 PolarHBondContact OE1-NZ 3.32Å; E142-K213 IonicContact OE2-NZ 2.7Å; E142-K213 PolarHBondContact OE2-NZ 2.92Å
143L81.5Confident77.6Confident2 Ų245.3 Ų45.31%0.0125%0.246CC..Iπ-helixtrans-65.9-41.4175.8-69.6-176.5000112.7V139 S140 S141 L147 A148 Y163 I167 L170 I197V139-L143 HydrophobicContact CG1-CD1 4.04Å; V139-L143 HydrophobicContact CG1-CG 4.21Å; V139-L143 WeakPolarHBondContact O-CG 3.35Å; V139-L143 PolarHBondContact O-N 3.32Å; S140-L143 PolarHBondContact O-N 2.75Å; S141-L143 VanDerWaalsContact C-N 3.31Å; S141-L143 PolarHBondContact O-N 2.85Å; L143-L147 HydrophobicContact CD2-CD1 3.83Å; L143-L147 PolarHBondContact O-N 3.13Å; L143-A148 PolarHBondContact O-N 2.97Å; L143-Y163 HydrophobicContact CD2-CD1 4.07Å; L143-Y163 HydrophobicContact CD2-CE1 4.02Å; L143-I167 HydrophobicContact CB-CD1 3.92Å; L143-I167 HydrophobicContact CB-CG1 3.75Å; L143-I167 HydrophobicContact CD1-CG1 4.3Å; L143-L170 HydrophobicContact CD1-CD1 3.95Å; L143-I197 HydrophobicContact CD1-CD1 4.26Å; L143-I197 HydrophobicContact CD1-CG1 3.99Å
144E82.1Confident79.3Confident63 Ų6341.1 Ų41.129%0.29423%0.227SC..Iπ-helixtrans-75.3-56-180-172.959.2-154.800111.1S140 S141 V146 A148 S149 R152 I167S140-E144 PolarHBondContact O-N 2.79Å; S141-E144 PolarHBondContact O-N 2.88Å; E144-V146 VanDerWaalsContact C-N 3.3Å; E144-V146 PolarHBondContact O-N 3.35Å; E144-A148 WeakPolarHBondContact O-CB 3.43Å; E144-S149 PolarHBondContact O-N 3.13Å; E144-R152 IonicContact OE1-CZ 3.39Å; E144-R152 IonicContact OE1-NH1 3.86Å; E144-R152 IonicContact OE1-NH2 2.59Å; E144-R152 PolarHBondContact OE1-NH2 3.32Å; E144-R152 VanDerWaalsContact OE1-NH2 3.08Å; E144-I167 HydrophobicContact CB-CD1 3.68Å; E144-I167 HydrophobicContact CG-CD1 4.43Å; E144-I167 WeakPolarHBondContact OE2-CD1 3.4Å
145E71.9Confident80.5Confident130 Ų13040.3 Ų40.361%0.60722%0.217SC*.Iπ-helixtrans-63.2-37.8-169.7-171.4177-179.400111.2S141 S149S141-E145 WeakPolarHBondContact O-CB 3.3Å; S141-E145 PolarHBondContact O-N 2.79Å; E145-S149 WeakPolarHBondContact O-CB 3.48Å
146V74.3Confident81.4Confident12 Ų1236.1 Ų36.17%0.07320%0.198CC..Iπ-helixtrans-105.4-53.8-171-1650000112.1E142 E144 G150 A209 F212 K213E142-V146 WeakPolarHBondContact O-CB 3.28Å; E142-V146 PolarHBondContact O-N 3.32Å; E144-V146 VanDerWaalsContact C-N 3.3Å; E144-V146 PolarHBondContact O-N 3.35Å; V146-G150 PolarHBondContact O-N 3.32Å; V146-G150 VanDerWaalsContact O-N 3.09Å; V146-A209 HydrophobicContact CB-CB 3.84Å; V146-A209 VanDerWaalsContact CG1-CA 3.45Å; V146-A209 HydrophobicContact CG1-CB 3.54Å; V146-A209 WeakPolarHBondContact CG1-O 3.02Å; V146-A209 HydrophobicContact CG2-CB 4.36Å; V146-F212 HydrophobicContact CG1-CB 3.83Å; V146-F212 WeakPolarHBondContact O-CD1 3.37Å; V146-K213 HydrophobicContact CG1-CG 3.82Å; V146-K213 HydrophobicContact CG2-CD 4.47Å; V146-K213 HydrophobicContact CG2-CG 4.4Å
147L82.9Confident82Confident0 Ų043.5 Ų43.50%022%0.222CC..Iπ-helixtrans-80.2-53.7-173.8-64.3174.1000110.9L143 S149 G150 Y151 Y163 K196 V206 K208 A209L143-L147 HydrophobicContact CD2-CD1 3.83Å; L143-L147 PolarHBondContact O-N 3.13Å; L147-S149 PolarHBondContact O-N 3.09Å; L147-G150 PolarHBondContact O-N 2.91Å; L147-Y151 HydrophobicContact CB-CD2 4.43Å; L147-Y151 HydrophobicContact CB-CE2 4.35Å; L147-Y151 HydrophobicContact CD2-CE2 4.23Å; L147-Y151 WeakPolarHBondContact O-CB 3.4Å; L147-Y151 WeakPolarHBondContact O-CD2 3.29Å; L147-Y151 PolarHBondContact O-N 2.89Å; L147-Y163 HydrophobicContact CB-CD1 4.14Å; L147-Y163 HydrophobicContact CB-CD2 4.2Å; L147-Y163 HydrophobicContact CB-CE1 3.99Å; L147-Y163 HydrophobicContact CB-CE2 4.11Å; L147-Y163 HydrophobicContact CB-CG 4.24Å; L147-Y163 HydrophobicContact CD1-CD1 4.31Å; L147-Y163 HydrophobicContact CD1-CE1 3.55Å; L147-Y163 HydrophobicContact CG-CE1 4.4Å; L147-K196 HydrophobicContact CD1-CD 4.48Å; L147-V206 HydrophobicContact CD1-CG1 4.26Å; L147-K208 HydrophobicContact CD2-CB 4.06Å; L147-K208 HydrophobicContact CD2-CG 3.89Å; L147-A209 HydrophobicContact CD2-CB 4.23Å; L147-A209 HydrophobicContact CG-CB 4.24Å
148A83.5Confident82.4Confident0 Ų045.8 Ų45.80%022%0.219CC..Iπ-helixtrans-61.7-47-179.500000111.2L143 E144 R152 T160L143-A148 PolarHBondContact O-N 2.97Å; E144-A148 WeakPolarHBondContact O-CB 3.43Å; A148-R152 WeakPolarHBondContact O-CB 3.48Å; A148-R152 PolarHBondContact O-N 2.92Å; A148-T160 PolarHBondContact O-OG1 3.44Å
149S84.6Confident82.6Confident21 Ų2149.5 Ų49.515%0.14723%0.225CC..Hα-helixtrans-58.7-50.8175.4-1710000112.4E144 E145 L147 Y151 R152 S153 E222E144-S149 PolarHBondContact O-N 3.13Å; E145-S149 WeakPolarHBondContact O-CB 3.48Å; L147-S149 PolarHBondContact O-N 3.09Å; S149-Y151 PolarHBondContact O-N 3.29Å; S149-R152 WeakPolarHBondContact O-CA 3.36Å; S149-R152 VanDerWaalsContact O-CB 3.31Å; S149-R152 WeakPolarHBondContact O-CB 3.47Å; S149-R152 PolarHBondContact O-N 3.17Å; S149-R152 VanDerWaalsContact O-N 3.12Å; S149-S153 PolarHBondContact O-N 3.03Å; S149-S153 PolarHBondContact O-OG 3.31Å; S149-E222 PolarHBondContact OG-OE1 2.78Å
150G86.9Confident82.7Confident5 Ų549.8 Ų49.85%0.05223%0.227CC..Hα-helixtrans-66.3-38.6-177.600000113.4V146 L147 R152 S153 I154V146-G150 PolarHBondContact O-N 3.32Å; V146-G150 VanDerWaalsContact O-N 3.09Å; L147-G150 PolarHBondContact O-N 2.91Å; G150-R152 VanDerWaalsContact C-N 3.3Å; G150-R152 PolarHBondContact O-N 3.45Å; G150-S153 PolarHBondContact O-N 3.14Å; G150-I154 PolarHBondContact O-N 3.06Å
151Y87.3Confident82.8Confident13 Ų1353.7 Ų53.75%0.05124%0.24CC..Hα-helixtrans-66.4-35.5173.5-75.8-60.9000111.5L147 S149 S153 I154 N155 D156 R159 T160 Y163 K208 F212L147-Y151 HydrophobicContact CB-CD2 4.43Å; L147-Y151 HydrophobicContact CB-CE2 4.35Å; L147-Y151 HydrophobicContact CD2-CE2 4.23Å; L147-Y151 WeakPolarHBondContact O-CB 3.4Å; L147-Y151 WeakPolarHBondContact O-CD2 3.29Å; L147-Y151 PolarHBondContact O-N 2.89Å; S149-Y151 PolarHBondContact O-N 3.29Å; Y151-S153 VanDerWaalsContact C-N 3.28Å; Y151-S153 PolarHBondContact O-N 3.44Å; Y151-I154 HydrophobicContact CD1-CD1 4.05Å; Y151-I154 WeakPolarHBondContact O-CG1 3.46Å; Y151-I154 PolarHBondContact O-N 2.98Å; Y151-N155 PolarHBondContact O-N 2.86Å; Y151-D156 HydrophobicContact CD1-CB 4.07Å; Y151-D156 PolarHBondContact O-N 2.93Å; Y151-R159 HydrophobicContact CD1-CB 3.71Å; Y151-R159 HydrophobicContact CD1-CG 4.23Å; Y151-R159 HydrophobicContact CD2-CB 3.79Å; Y151-R159 HydrophobicContact CE1-CB 4.17Å; Y151-R159 HydrophobicContact CE1-CG 4.29Å; Y151-R159 HydrophobicContact CE2-CB 4.28Å; Y151-R159 HydrophobicContact CG-CB 3.53Å; Y151-R159 HydrophobicContact CG-CG 4.5Å; Y151-T160 VanDerWaalsContact C-OG1 3.25Å; Y151-Y163 AromaticContact CD2-CD2 3.81Å; Y151-Y163 HydrophobicContact CD2-CD2 3.81Å; Y151-Y163 AromaticContact CD2-CE2 3.53Å; Y151-Y163 HydrophobicContact CD2-CE2 3.53Å; Y151-Y163 HydrophobicContact CE2-CD2 4.13Å; Y151-Y163 AromaticContact CE2-CE2 3.37Å; Y151-Y163 HydrophobicContact CE2-CE2 3.37Å; Y151-K208 WeakPolarHBondContact OH-CE 3.48Å; Y151-F212 HydrophobicContact CD1-CE1 4.23Å; Y151-F212 HydrophobicContact CD1-CZ 4.02Å; Y151-F212 HydrophobicContact CD2-CE1 4.17Å; Y151-F212 HydrophobicContact CD2-CZ 4.46Å; Y151-F212 HydrophobicContact CE1-CE1 4.22Å; Y151-F212 AromaticContact CE1-CZ 3.63Å; Y151-F212 HydrophobicContact CE1-CZ 3.63Å; Y151-F212 HydrophobicContact CE2-CE1 4.12Å; Y151-F212 HydrophobicContact CE2-CZ 4.09Å; Y151-F212 HydrophobicContact CG-CE1 4.17Å; Y151-F212 HydrophobicContact CG-CZ 4.39Å; Y151-F212 AromaticContact CZ-CZ 3.65Å
152R88.5Confident83Confident104 Ų10452.4 Ų52.439%0.39223%0.234SC..Hα-helixtrans-62.1-43175-170.2-178-67.9146.61.4109.2E144 A148 S149 G150 I154 N155 T160 E164 P232E144-R152 IonicContact OE1-CZ 3.39Å; E144-R152 IonicContact OE1-NH1 3.86Å; E144-R152 IonicContact OE1-NH2 2.59Å; E144-R152 PolarHBondContact OE1-NH2 3.32Å; E144-R152 VanDerWaalsContact OE1-NH2 3.08Å; A148-R152 WeakPolarHBondContact O-CB 3.48Å; A148-R152 PolarHBondContact O-N 2.92Å; S149-R152 WeakPolarHBondContact O-CA 3.36Å; S149-R152 VanDerWaalsContact O-CB 3.31Å; S149-R152 WeakPolarHBondContact O-CB 3.47Å; S149-R152 PolarHBondContact O-N 3.17Å; S149-R152 VanDerWaalsContact O-N 3.12Å; G150-R152 VanDerWaalsContact C-N 3.3Å; G150-R152 PolarHBondContact O-N 3.45Å; R152-I154 VanDerWaalsContact C-N 3.35Å; R152-I154 PolarHBondContact O-N 3.31Å; R152-N155 PolarHBondContact O-N 3.4Å; R152-T160 VanDerWaalsContact CA-OG1 3.24Å; R152-T160 WeakPolarHBondContact CA-OG1 3.13Å; R152-T160 HydrophobicContact CB-CG2 3.91Å; R152-T160 HydrophobicContact CG-CG2 4.28Å; R152-T160 PolarHBondContact N-OG1 3.04Å; R152-E164 IonicContact CZ-OE1 2.77Å; R152-E164 IonicContact NE-OE1 3.57Å; R152-E164 IonicContact NH2-OE1 3.73Å; R152-E164 PolarHBondContact NH2-OE1 3.49Å; R152-P232 WeakPolarHBondContact O-CG 3.35Å
153S86.4Confident83.4Confident5 Ų551.9 Ų51.94%0.03523%0.231CC..Hα-helixtrans-64.2-32.8-178.5-75.20000114.7S149 G150 Y151 N155 N225 P232S149-S153 PolarHBondContact O-N 3.03Å; S149-S153 PolarHBondContact O-OG 3.31Å; G150-S153 PolarHBondContact O-N 3.14Å; Y151-S153 VanDerWaalsContact C-N 3.28Å; Y151-S153 PolarHBondContact O-N 3.44Å; S153-N155 VanDerWaalsContact C-N 3.32Å; S153-N225 VanDerWaalsContact CA-ND2 3.25Å; S153-N225 WeakPolarHBondContact CA-ND2 3.38Å; S153-N225 WeakPolarHBondContact CB-ND2 3.05Å; S153-N225 PolarHBondContact O-ND2 3.07Å; S153-N225 PolarHBondContact OG-ND2 3.11Å; S153-P232 WeakPolarHBondContact O-CB 3.37Å
154I85.5Confident83.6Confident52 Ų5253.9 Ų53.927%0.26724%0.24SC..THydrogen-bonded Turntrans-91.313.2173.762.9173.4000113.9G150 Y151 R152 D156 L218 L221G150-I154 PolarHBondContact O-N 3.06Å; Y151-I154 HydrophobicContact CD1-CD1 4.05Å; Y151-I154 WeakPolarHBondContact O-CG1 3.46Å; Y151-I154 PolarHBondContact O-N 2.98Å; R152-I154 VanDerWaalsContact C-N 3.35Å; R152-I154 PolarHBondContact O-N 3.31Å; I154-D156 HydrophobicContact CD1-CB 4.39Å; I154-D156 HydrophobicContact CG1-CB 4.13Å; I154-D156 PolarHBondContact O-N 3.47Å; I154-L218 HydrophobicContact CG2-CD2 3.19Å; I154-L221 HydrophobicContact CG2-CD1 3.93Å
155N84.4Confident83.7Confident64 Ų6452.4 Ų52.434%0.34223%0.234SC..THydrogen-bonded Turntrans63.822.1-179.7-157.318.9000114.8Y151 R152 S153 R157 P232Y151-N155 PolarHBondContact O-N 2.86Å; R152-N155 PolarHBondContact O-N 3.4Å; S153-N155 VanDerWaalsContact C-N 3.32Å; N155-R157 VanDerWaalsContact C-N 3.26Å; N155-R157 PolarHBondContact O-N 3.26Å; N155-P232 HydrophobicContact CB-CB 3.55Å; N155-P232 HydrophobicContact CB-CG 4.32Å
156D85.5Confident84.5Confident27 Ų2746.2 Ų46.214%0.14421%0.205CC..  trans-83.775.6173.2-168-20.4000110.7Y151 I154 W158 R159 T160Y151-D156 HydrophobicContact CD1-CB 4.07Å; Y151-D156 PolarHBondContact O-N 2.93Å; I154-D156 HydrophobicContact CD1-CB 4.39Å; I154-D156 HydrophobicContact CG1-CB 4.13Å; I154-D156 PolarHBondContact O-N 3.47Å; D156-W158 PolarHBondContact O-N 2.95Å; D156-W158 VanDerWaalsContact O-N 3.13Å; D156-W158 PolarHBondContact OD1-N 2.77Å; D156-R159 HydrophobicContact CB-CB 4.45Å; D156-R159 PolarHBondContact O-N 2.81Å; D156-R159 PolarHBondContact OD1-N 2.98Å; D156-R159 WeakPolarHBondContact OD2-CD 3.38Å; D156-R159 WeakPolarHBondContact OD2-CG 3.2Å; D156-R159 IonicContact OD2-CZ 3.89Å; D156-R159 IonicContact OD2-NE 2.62Å; D156-R159 IonicContact OD2-NH1 3.79Å; D156-R159 PolarHBondContact OD2-NH1 3.41Å; D156-T160 PolarHBondContact O-N 2.84Å; D156-T160 PolarHBondContact O-OG1 2.98Å; D156-T160 VanDerWaalsContact O-OG1 3.04Å
157R81.9Confident85.2Confident188 Ų18846 Ų4671%0.70920%0.204SC*.Hα-helixtrans-58.8-26.4-178-67.9179.5-80.7169.6-3.9113.3N155 Y161N155-R157 VanDerWaalsContact C-N 3.26Å; N155-R157 PolarHBondContact O-N 3.26Å; R157-Y161 WeakPolarHBondContact O-CB 3.09Å; R157-Y161 PolarHBondContact O-N 3.25Å; R157-Y161 VanDerWaalsContact O-N 3.09Å
158W81.2Confident85.2Confident126 Ų12649 Ų4948%0.47722%0.215SC..Hα-helixtrans-75.8-47.3-178.9-64.7116.6000111.4D156 Y161 A162 P608 W609D156-W158 PolarHBondContact O-N 2.95Å; D156-W158 VanDerWaalsContact O-N 3.13Å; D156-W158 PolarHBondContact OD1-N 2.77Å; W158-Y161 PolarHBondContact O-N 3.19Å; W158-A162 WeakPolarHBondContact O-CB 3.42Å; W158-A162 PolarHBondContact O-N 2.69Å; W158-P608 HydrophobicContact CD2-CG 4.27Å; W158-P608 HydrophobicContact CE3-CB 3.96Å; W158-P608 HydrophobicContact CE3-CG 3.9Å; W158-P608 HydrophobicContact CH2-CB 3.71Å; W158-P608 HydrophobicContact CH2-CG 3.51Å; W158-P608 HydrophobicContact CZ2-CG 3.88Å; W158-P608 HydrophobicContact CZ3-CB 3.37Å; W158-P608 HydrophobicContact CZ3-CG 3.53Å; W158-W609 HydrophobicContact CH2-CD2 4.2Å; W158-W609 AromaticContact CH2-CE2 3.49Å; W158-W609 VanDerWaalsContact CH2-CE2 3.49Å; W158-W609 AromaticContact CH2-CH2 3.95Å; W158-W609 HydrophobicContact CH2-CH2 3.95Å; W158-W609 AromaticContact CH2-CZ2 3.4Å; W158-W609 HydrophobicContact CH2-CZ2 3.4Å; W158-W609 AromaticContact CH2-NE1 3.75Å; W158-W609 AromaticContact CZ2-CE2 3.56Å; W158-W609 HydrophobicContact CZ2-CH2 4.22Å; W158-W609 AromaticContact CZ2-CZ2 3.33Å; W158-W609 HydrophobicContact CZ2-CZ2 3.33Å; W158-W609 AromaticContact CZ2-NE1 3.57Å
159R84Confident85.3Confident132 Ų13249.7 Ų49.750%0.49822%0.22SC..Hα-helixtrans-66.5-44.9176.8-68.8-172.7176.5105.7-5110.8Y151 D156 Y161 A162 Y163Y151-R159 HydrophobicContact CD1-CB 3.71Å; Y151-R159 HydrophobicContact CD1-CG 4.23Å; Y151-R159 HydrophobicContact CD2-CB 3.79Å; Y151-R159 HydrophobicContact CE1-CB 4.17Å; Y151-R159 HydrophobicContact CE1-CG 4.29Å; Y151-R159 HydrophobicContact CE2-CB 4.28Å; Y151-R159 HydrophobicContact CG-CB 3.53Å; Y151-R159 HydrophobicContact CG-CG 4.5Å; D156-R159 HydrophobicContact CB-CB 4.45Å; D156-R159 PolarHBondContact O-N 2.81Å; D156-R159 PolarHBondContact OD1-N 2.98Å; D156-R159 WeakPolarHBondContact OD2-CD 3.38Å; D156-R159 WeakPolarHBondContact OD2-CG 3.2Å; D156-R159 IonicContact OD2-CZ 3.89Å; D156-R159 IonicContact OD2-NE 2.62Å; D156-R159 IonicContact OD2-NH1 3.79Å; D156-R159 PolarHBondContact OD2-NH1 3.41Å; R159-Y161 VanDerWaalsContact C-N 3.32Å; R159-Y161 PolarHBondContact O-N 2.94Å; R159-A162 PolarHBondContact O-N 3.37Å; R159-A162 VanDerWaalsContact O-N 3.11Å; R159-Y163 HydrophobicContact CB-CE2 4.47Å; R159-Y163 WeakPolarHBondContact O-CD2 3.12Å; R159-Y163 PolarHBondContact O-N 3.34Å
160T83.7Confident85.4Confident8 Ų848.9 Ų48.95%0.04921%0.214CC..Hα-helixtrans-51.9-51.1173-56.70000111.5A148 Y151 R152 D156 A162 Y163 E164A148-T160 PolarHBondContact O-OG1 3.44Å; Y151-T160 VanDerWaalsContact C-OG1 3.25Å; R152-T160 VanDerWaalsContact CA-OG1 3.24Å; R152-T160 WeakPolarHBondContact CA-OG1 3.13Å; R152-T160 HydrophobicContact CB-CG2 3.91Å; R152-T160 HydrophobicContact CG-CG2 4.28Å; R152-T160 PolarHBondContact N-OG1 3.04Å; D156-T160 PolarHBondContact O-N 2.84Å; D156-T160 PolarHBondContact O-OG1 2.98Å; D156-T160 VanDerWaalsContact O-OG1 3.04Å; T160-A162 VanDerWaalsContact C-N 3.33Å; T160-A162 PolarHBondContact O-N 2.87Å; T160-Y163 PolarHBondContact O-N 3.09Å; T160-E164 HydrophobicContact CG2-CG 4.35Å; T160-E164 WeakPolarHBondContact CG2-OE1 3.42Å; T160-E164 WeakPolarHBondContact O-CG 2.99Å; T160-E164 PolarHBondContact O-N 3.29Å
161Y83Confident85.3Confident92 Ų9255.1 Ų55.136%0.36124%0.242SC..Hα-helixtrans-62.6-37.1179.5179.9-110.7000113.3R157 W158 R159 N165R157-Y161 WeakPolarHBondContact O-CB 3.09Å; R157-Y161 PolarHBondContact O-N 3.25Å; R157-Y161 VanDerWaalsContact O-N 3.09Å; W158-Y161 PolarHBondContact O-N 3.19Å; R159-Y161 VanDerWaalsContact C-N 3.32Å; R159-Y161 PolarHBondContact O-N 2.94Å; Y161-N165 WeakPolarHBondContact CE1-ND2 3.35Å; Y161-N165 WeakPolarHBondContact CE2-OD1 3.46Å; Y161-N165 WeakPolarHBondContact O-CB 3.42Å; Y161-N165 PolarHBondContact O-N 2.8Å; Y161-N165 PolarHBondContact OH-ND2 2.88Å
162A83.6Confident85.1Confident36 Ų3662.1 Ų62.130%0.29827%0.273SS..Hα-helixtrans-64.8-42.9177.100000111.8W158 R159 T160 N165 A166 I193W158-A162 WeakPolarHBondContact O-CB 3.42Å; W158-A162 PolarHBondContact O-N 2.69Å; R159-A162 PolarHBondContact O-N 3.37Å; R159-A162 VanDerWaalsContact O-N 3.11Å; T160-A162 VanDerWaalsContact C-N 3.33Å; T160-A162 PolarHBondContact O-N 2.87Å; A162-N165 PolarHBondContact O-N 2.63Å; A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 3.07Å; A162-I193 HydrophobicContact CB-CD1 4.12Å
163Y88.1Confident84.7Confident10 Ų1058.6 Ų58.64%0.03926%0.264CS..Hα-helixtrans-67.1-47.4175.1-74.4-71.2000112.3L143 L147 Y151 R159 T160 N165 A166 I167 K196L143-Y163 HydrophobicContact CD2-CD1 4.07Å; L143-Y163 HydrophobicContact CD2-CE1 4.02Å; L147-Y163 HydrophobicContact CB-CD1 4.14Å; L147-Y163 HydrophobicContact CB-CD2 4.2Å; L147-Y163 HydrophobicContact CB-CE1 3.99Å; L147-Y163 HydrophobicContact CB-CE2 4.11Å; L147-Y163 HydrophobicContact CB-CG 4.24Å; L147-Y163 HydrophobicContact CD1-CD1 4.31Å; L147-Y163 HydrophobicContact CD1-CE1 3.55Å; L147-Y163 HydrophobicContact CG-CE1 4.4Å; Y151-Y163 AromaticContact CD2-CD2 3.81Å; Y151-Y163 HydrophobicContact CD2-CD2 3.81Å; Y151-Y163 AromaticContact CD2-CE2 3.53Å; Y151-Y163 HydrophobicContact CD2-CE2 3.53Å; Y151-Y163 HydrophobicContact CE2-CD2 4.13Å; Y151-Y163 AromaticContact CE2-CE2 3.37Å; Y151-Y163 HydrophobicContact CE2-CE2 3.37Å; R159-Y163 HydrophobicContact CB-CE2 4.47Å; R159-Y163 WeakPolarHBondContact O-CD2 3.12Å; R159-Y163 PolarHBondContact O-N 3.34Å; T160-Y163 PolarHBondContact O-N 3.09Å; Y163-N165 PolarHBondContact O-N 3.25Å; Y163-A166 WeakPolarHBondContact O-CB 3.48Å; Y163-A166 PolarHBondContact O-N 3.06Å; Y163-I167 WeakPolarHBondContact O-CD1 3.43Å; Y163-I167 WeakPolarHBondContact O-CG1 3.4Å; Y163-I167 PolarHBondContact O-N 2.78Å; Y163-K196 HydrophobicContact CE1-CD 4.46Å; Y163-K196 VanDerWaalsContact OH-CD 3.29Å; Y163-K196 WeakPolarHBondContact OH-CD 3.44Å; Y163-K196 PolarHBondContact OH-NZ 2.7Å
164E86.4Confident84.4Confident43 Ų4365.2 Ų65.220%0.20130%0.299CS..Hα-helixtrans-57.9-34.7176.1-73.7175.9-175.500112.6R152 T160 R168R152-E164 IonicContact CZ-OE1 2.77Å; R152-E164 IonicContact NE-OE1 3.57Å; R152-E164 IonicContact NH2-OE1 3.73Å; R152-E164 PolarHBondContact NH2-OE1 3.49Å; T160-E164 HydrophobicContact CG2-CG 4.35Å; T160-E164 WeakPolarHBondContact CG2-OE1 3.42Å; T160-E164 WeakPolarHBondContact O-CG 2.99Å; T160-E164 PolarHBondContact O-N 3.29Å; E164-R168 PolarHBondContact O-N 3.13Å; E164-R168 PolarHBondContact O-NH1 2.97Å; E164-R168 VanDerWaalsContact O-NH1 3.15Å
165N85.1Confident84Confident32 Ų3267.2 Ų67.217%0.17130%0.304CS..Hα-helixtrans-70.9-41.3174.1-83.5-14.9000112.3Y161 A162 Y163 A169 Q395Y161-N165 WeakPolarHBondContact CE1-ND2 3.35Å; Y161-N165 WeakPolarHBondContact CE2-OD1 3.46Å; Y161-N165 WeakPolarHBondContact O-CB 3.42Å; Y161-N165 PolarHBondContact O-N 2.8Å; Y161-N165 PolarHBondContact OH-ND2 2.88Å; A162-N165 PolarHBondContact O-N 2.63Å; Y163-N165 PolarHBondContact O-N 3.25Å; N165-A169 WeakPolarHBondContact O-CB 3.38Å; N165-A169 PolarHBondContact O-N 3.39Å; N165-Q395 PolarHBondContact OD1-NE2 3.36Å
166A87.8Confident83.6Confident0 Ų066.2 Ų66.20%030%0.301CS..Hα-helixtrans-65.6-45.9178.300000111.7A162 Y163 R168 A169 L170 I189 I193A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 3.07Å; Y163-A166 WeakPolarHBondContact O-CB 3.48Å; Y163-A166 PolarHBondContact O-N 3.06Å; A166-R168 PolarHBondContact O-N 3.49Å; A166-A169 WeakPolarHBondContact O-CA 3.43Å; A166-A169 WeakPolarHBondContact O-CB 3.26Å; A166-A169 PolarHBondContact O-N 3.07Å; A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 3Å; A166-I189 HydrophobicContact CB-CG1 4.08Å; A166-I193 HydrophobicContact CB-CD1 4Å; A166-I193 HydrophobicContact CB-CG2 3.69Å
167I87.9Confident83.2Confident9 Ų965.8 Ų65.85%0.04630%0.298CS..Hα-helixtrans-56.4-49.9177.3-68.7153.4000110.5L143 E144 Y163 A169 L170 E171L143-I167 HydrophobicContact CB-CD1 3.92Å; L143-I167 HydrophobicContact CB-CG1 3.75Å; L143-I167 HydrophobicContact CD1-CG1 4.3Å; E144-I167 HydrophobicContact CB-CD1 3.68Å; E144-I167 HydrophobicContact CG-CD1 4.43Å; E144-I167 WeakPolarHBondContact OE2-CD1 3.4Å; Y163-I167 WeakPolarHBondContact O-CD1 3.43Å; Y163-I167 WeakPolarHBondContact O-CG1 3.4Å; Y163-I167 PolarHBondContact O-N 2.78Å; I167-A169 VanDerWaalsContact C-N 3.26Å; I167-A169 PolarHBondContact O-N 3.2Å; I167-L170 WeakPolarHBondContact O-CA 3.43Å; I167-L170 WeakPolarHBondContact O-CB 3.39Å; I167-L170 PolarHBondContact O-N 3.3Å; I167-L170 VanDerWaalsContact O-N 3.08Å; I167-E171 HydrophobicContact CG2-CG 4.4Å; I167-E171 WeakPolarHBondContact O-CG 3.35Å; I167-E171 PolarHBondContact O-N 3.16Å
168R83.8Confident82.8Confident63 Ų6366.4 Ų66.424%0.23830%0.3CS..Hα-helixtrans-63.2-33.7176.4-171.3-177.4-59.694.6-1.3113.3E164 A166 L170 K172E164-R168 PolarHBondContact O-N 3.13Å; E164-R168 PolarHBondContact O-NH1 2.97Å; E164-R168 VanDerWaalsContact O-NH1 3.15Å; A166-R168 PolarHBondContact O-N 3.49Å; R168-L170 VanDerWaalsContact C-N 3.32Å; R168-K172 HydrophobicContact CG-CD 4.27Å; R168-K172 WeakPolarHBondContact O-CB 3.45Å; R168-K172 VanDerWaalsContact O-CG 3.27Å; R168-K172 WeakPolarHBondContact O-CG 3.3Å; R168-K172 PolarHBondContact O-N 3.29Å
169A85.5Confident82.7Confident13 Ų1362.8 Ų62.811%0.10729%0.294CS..Hα-helixtrans-66.5-39.8176.300000110.3N165 A166 I167 K172 C173 I186 I189N165-A169 WeakPolarHBondContact O-CB 3.38Å; N165-A169 PolarHBondContact O-N 3.39Å; A166-A169 WeakPolarHBondContact O-CA 3.43Å; A166-A169 WeakPolarHBondContact O-CB 3.26Å; A166-A169 PolarHBondContact O-N 3.07Å; I167-A169 VanDerWaalsContact C-N 3.26Å; I167-A169 PolarHBondContact O-N 3.2Å; A169-K172 PolarHBondContact O-N 2.86Å; A169-C173 PolarHBondContact O-N 3.05Å; A169-C173 PolarHBondContact O-SG 3.26Å; A169-I186 HydrophobicContact CB-CG2 3.74Å; A169-I189 HydrophobicContact CB-CD1 4.19Å; A169-I189 HydrophobicContact CB-CG1 4.04Å
170L86.4Confident82.4Confident5 Ų557.4 Ų57.43%0.02628%0.277CS..Hα-helixtrans-64.2-48.9173.3-64.7172.3000112T136 V139 L143 A166 I167 R168 K172 C173 I177 L183 I189 I197T136-L170 HydrophobicContact CG2-CB 4.21Å; V139-L170 HydrophobicContact CG1-CD1 4.24Å; L143-L170 HydrophobicContact CD1-CD1 3.95Å; A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 3Å; I167-L170 WeakPolarHBondContact O-CA 3.43Å; I167-L170 WeakPolarHBondContact O-CB 3.39Å; I167-L170 PolarHBondContact O-N 3.3Å; I167-L170 VanDerWaalsContact O-N 3.08Å; R168-L170 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.39Å; L170-K172 VanDerWaalsContact O-N 3.14Å; L170-C173 WeakPolarHBondContact O-CB 3.42Å; L170-C173 PolarHBondContact O-N 3.48Å; L170-I177 HydrophobicContact CD2-CD1 3.4Å; L170-I177 VanDerWaalsContact CD2-CD1 3.4Å; L170-L183 HydrophobicContact CD2-CD2 3.74Å; L170-I189 HydrophobicContact CD2-CD1 3.73Å; L170-I189 HydrophobicContact CG-CD1 4.01Å; L170-I197 HydrophobicContact CD1-CD1 3.96Å; L170-I197 HydrophobicContact CD2-CD1 4.26Å
171E84.7Confident82.3Confident136 Ų13663.7 Ų63.764%0.63631%0.306SS*.Hα-helixtrans-58.9-26.3177.9-70.7171.1164.300113.5I167I167-E171 HydrophobicContact CG2-CG 4.4Å; I167-E171 WeakPolarHBondContact O-CG 3.35Å; I167-E171 PolarHBondContact O-N 3.16Å
172K82.6Confident82.3Confident160 Ų16061.7 Ų61.770%0.69630%0.3SS*.THydrogen-bonded Turntrans-91.3-8.9178.9-75.3-177.5175.6-165.10114.1R168 A169 L170 D174R168-K172 HydrophobicContact CG-CD 4.27Å; R168-K172 WeakPolarHBondContact O-CB 3.45Å; R168-K172 VanDerWaalsContact O-CG 3.27Å; R168-K172 WeakPolarHBondContact O-CG 3.3Å; R168-K172 PolarHBondContact O-N 3.29Å; A169-K172 PolarHBondContact O-N 2.86Å; L170-K172 PolarHBondContact O-N 3.39Å; L170-K172 VanDerWaalsContact O-N 3.14Å; K172-D174 PolarHBondContact O-N 3.26Å
173C81.1Confident82.3Confident30 Ų3060 Ų6020%0.20329%0.286CS..  trans-72.4119.5178-720000109.2A169 L170 Y175 I177 I186A169-C173 PolarHBondContact O-N 3.05Å; A169-C173 PolarHBondContact O-SG 3.26Å; L170-C173 WeakPolarHBondContact O-CB 3.42Å; L170-C173 PolarHBondContact O-N 3.48Å; C173-Y175 VanDerWaalsContact C-N 3.3Å; C173-I177 HydrophobicContact CB-CD1 4.17Å; C173-I177 HydrophobicContact CB-CG1 4.39Å; C173-I186 WeakPolarHBondContact SG-CD1 3.38Å
174D79Confident82.3Confident144 Ų14464.6 Ų64.677%0.7730%0.303SS*.  trans-91.46.5178.258.2-17000112.8K172K172-D174 PolarHBondContact O-N 3.26Å
175Y78.3Confident82.2Confident94 Ų9466.9 Ų66.937%0.36932%0.324SS..SBendtrans-129.7148.4177.454.6-99.4000111.2C173 I177 Q182C173-Y175 VanDerWaalsContact C-N 3.3Å; Y175-I177 HydrophobicContact CE2-CG1 4.49Å; Y175-I177 PolarHBondContact O-N 2.88Å; Y175-Q182 HydrophobicContact CE2-CG 4.09Å
176P75Confident82.2Confident42 Ų4266.1 Ų66.127%0.27332%0.32SS..  trans-64.6128.117626.3-33.6000110.1Q182P176-Q182 PolarHBondContact O-NE2 3.22Å
177I77.7Confident82Confident19 Ų1977.5 Ų77.510%0.09736%0.363CS..  trans-88.1122178.4-47.3173.4000108.2L170 C173 Y175 Q182 L183 I186 W201L170-I177 HydrophobicContact CD2-CD1 3.4Å; L170-I177 VanDerWaalsContact CD2-CD1 3.4Å; C173-I177 HydrophobicContact CB-CD1 4.17Å; C173-I177 HydrophobicContact CB-CG1 4.39Å; Y175-I177 HydrophobicContact CE2-CG1 4.49Å; Y175-I177 PolarHBondContact O-N 2.88Å; I177-Q182 HydrophobicContact CG2-CB 4.22Å; I177-Q182 HydrophobicContact CG2-CG 4.18Å; I177-L183 HydrophobicContact CD1-CD2 3.89Å; I177-L183 HydrophobicContact CG2-CD2 3.66Å; I177-L183 HydrophobicContact CG2-CG 3.67Å; I177-I186 HydrophobicContact CD1-CD1 3.76Å; I177-I186 HydrophobicContact CG1-CD1 4.25Å; I177-W201 HydrophobicContact CB-CH2 4.06Å; I177-W201 HydrophobicContact CB-CZ2 4.32Å; I177-W201 HydrophobicContact CG2-CH2 3.73Å; I177-W201 HydrophobicContact CG2-CZ2 4.41Å
178R73.6Confident81.6Confident200 Ų20079 Ų7976%0.75538%0.38SS*.  trans-116.4-6.7-170-62.1-175.7179.1-173.4-1114.7
179S78.3Confident81.7Confident50 Ų5076.3 Ų76.335%0.3537%0.37SS..SBendtrans-155.1158.3-178.474.60000112.4E181 Q182 L183S179-E181 PolarHBondContact O-N 3.2Å; S179-E181 PolarHBondContact OG-N 2.8Å; S179-Q182 PolarHBondContact O-N 3.16Å; S179-Q182 PolarHBondContact OG-N 2.99Å; S179-Q182 VanDerWaalsContact OG-N 3.14Å; S179-L183 PolarHBondContact O-N 3.07Å
180S78.2Confident81.7Confident20 Ų2077.7 Ų77.714%0.1439%0.386CS..Hα-helixtrans-67.1-23.1173.461.90000113.3L183 R184 E198S180-L183 WeakPolarHBondContact O-CB 3.45Å; S180-L183 PolarHBondContact O-N 3.46Å; S180-R184 VanDerWaalsContact O-CG 3.3Å; S180-R184 WeakPolarHBondContact O-CG 3.42Å; S180-R184 PolarHBondContact O-N 3.32Å; S180-R184 PolarHBondContact O-NH1 2.73Å; S180-R184 PolarHBondContact OG-NH1 3.34Å; S180-E198 WeakPolarHBondContact CB-OE2 3.32Å; S180-E198 PolarHBondContact OG-OE2 2.78Å
181E81Confident81.7Confident139 Ų13984.2 Ų84.265%0.6541%0.414SS*.Hα-helixtrans-69.2-40.9173-169.9162.8-155.800112.1S179 L183 R184 S185S179-E181 PolarHBondContact O-N 3.2Å; S179-E181 PolarHBondContact OG-N 2.8Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-R184 PolarHBondContact O-N 3.12Å; E181-S185 PolarHBondContact O-N 2.85Å
182Q83Confident81.8Confident50 Ų5085.9 Ų85.923%0.23442%0.415CS..Hα-helixtrans-65.6-37172.1-168.1179.53.500111.3Y175 P176 I177 S179 R184 S185 I186Y175-Q182 HydrophobicContact CE2-CG 4.09Å; P176-Q182 PolarHBondContact O-NE2 3.22Å; I177-Q182 HydrophobicContact CG2-CB 4.22Å; I177-Q182 HydrophobicContact CG2-CG 4.18Å; S179-Q182 PolarHBondContact O-N 3.16Å; S179-Q182 PolarHBondContact OG-N 2.99Å; S179-Q182 VanDerWaalsContact OG-N 3.14Å; Q182-R184 VanDerWaalsContact C-N 3.33Å; Q182-R184 PolarHBondContact O-N 3.48Å; Q182-S185 PolarHBondContact O-N 3.33Å; Q182-S185 PolarHBondContact O-OG 3.05Å; Q182-I186 WeakPolarHBondContact O-CG1 3.18Å
183L85.6Confident82.1Confident0 Ų079.1 Ų79.10%039%0.386CS..Hα-helixtrans-59.6-42.8171.8-75.2170.9000112.4L170 I177 S179 S180 E181 S185 I186 I189 A194 I197 W201L170-L183 HydrophobicContact CD2-CD2 3.74Å; I177-L183 HydrophobicContact CD1-CD2 3.89Å; I177-L183 HydrophobicContact CG2-CD2 3.66Å; I177-L183 HydrophobicContact CG2-CG 3.67Å; S179-L183 PolarHBondContact O-N 3.07Å; S180-L183 WeakPolarHBondContact O-CB 3.45Å; S180-L183 PolarHBondContact O-N 3.46Å; E181-L183 VanDerWaalsContact C-N 3.33Å; L183-S185 VanDerWaalsContact C-N 3.27Å; L183-S185 PolarHBondContact O-N 2.89Å; L183-I186 HydrophobicContact CD2-CD1 4.42Å; L183-I186 WeakPolarHBondContact O-CB 3.29Å; L183-I186 PolarHBondContact O-N 3.4Å; L183-I186 VanDerWaalsContact O-N 3.16Å; L183-I189 HydrophobicContact CB-CG2 4.24Å; L183-I189 HydrophobicContact CD2-CD1 3.93Å; L183-I189 WeakPolarHBondContact O-CB 3.42Å; L183-A194 HydrophobicContact CB-CB 3.68Å; L183-A194 HydrophobicContact CD1-CB 4.25Å; L183-I197 HydrophobicContact CD1-CB 3.67Å; L183-I197 HydrophobicContact CD1-CD1 4.09Å; L183-I197 HydrophobicContact CD1-CG2 3.51Å; L183-I197 HydrophobicContact CD2-CD1 3.92Å; L183-I197 HydrophobicContact CD2-CG2 4.35Å; L183-W201 HydrophobicContact CD1-CH2 3.53Å; L183-W201 HydrophobicContact CD1-CZ2 4.3Å; L183-W201 HydrophobicContact CD1-CZ3 3.76Å; L183-W201 HydrophobicContact CD2-CH2 4.28Å; L183-W201 HydrophobicContact CG-CH2 3.92Å; L183-W201 HydrophobicContact CG-CZ3 4.45Å
184R86.6Confident82.5Confident107 Ų10777.7 Ų77.740%0.40438%0.376SS..Hα-helixtrans-68.7-22.9-179.3-72.6-175-55.6-94.76.4113.7S180 E181 Q182 I186 A194S180-R184 VanDerWaalsContact O-CG 3.3Å; S180-R184 WeakPolarHBondContact O-CG 3.42Å; S180-R184 PolarHBondContact O-N 3.32Å; S180-R184 PolarHBondContact O-NH1 2.73Å; S180-R184 PolarHBondContact OG-NH1 3.34Å; E181-R184 PolarHBondContact O-N 3.12Å; Q182-R184 VanDerWaalsContact C-N 3.33Å; Q182-R184 PolarHBondContact O-N 3.48Å; R184-I186 VanDerWaalsContact C-N 3.29Å; R184-A194 HydrophobicContact CG-CB 3.84Å
185S84.7Confident82.8Confident91 Ų9174.3 Ų74.364%0.63636%0.356SS*.Hα-helixtrans-79.7-15174.868.70000112.6E181 Q182 L183 R187E181-S185 PolarHBondContact O-N 2.85Å; Q182-S185 PolarHBondContact O-N 3.33Å; Q182-S185 PolarHBondContact O-OG 3.05Å; L183-S185 VanDerWaalsContact C-N 3.27Å; L183-S185 PolarHBondContact O-N 2.89Å; S185-R187 PolarHBondContact O-N 3.01Å
186I85.1Confident83.3Confident16 Ų1672 Ų728%0.08235%0.347CS..SBendtrans-77.6119177-63.9162.9000109.9A169 C173 I177 Q182 L183 R184 G188 I189A169-I186 HydrophobicContact CB-CG2 3.74Å; C173-I186 WeakPolarHBondContact SG-CD1 3.38Å; I177-I186 HydrophobicContact CD1-CD1 3.76Å; I177-I186 HydrophobicContact CG1-CD1 4.25Å; Q182-I186 WeakPolarHBondContact O-CG1 3.18Å; L183-I186 HydrophobicContact CD2-CD1 4.42Å; L183-I186 WeakPolarHBondContact O-CB 3.29Å; L183-I186 PolarHBondContact O-N 3.4Å; L183-I186 VanDerWaalsContact O-N 3.16Å; R184-I186 VanDerWaalsContact C-N 3.29Å; I186-G188 PolarHBondContact O-N 3.15Å; I186-G188 VanDerWaalsContact O-N 3.11Å; I186-I189 HydrophobicContact CB-CD1 4.15Å; I186-I189 HydrophobicContact CB-CG1 4.47Å; I186-I189 HydrophobicContact CD1-CD1 4.36Å; I186-I189 HydrophobicContact CG2-CD1 3.98Å; I186-I189 HydrophobicContact CG2-CG1 4.23Å; I186-I189 PolarHBondContact O-N 3.41Å
187R83.3Confident83.8Confident240 Ų24070 Ų7091%0.90634%0.335SS*.THydrogen-bonded Turntrans-58.2118.5176.1-176.7-178.4178.8-1541.1110.8S185S185-R187 PolarHBondContact O-N 3.01Å
188G81.1Confident84.2Confident40 Ų4071.7 Ų71.741%0.41234%0.342SS..THydrogen-bonded Turntrans112.4-14.4-17900000113.6I186I186-G188 PolarHBondContact O-N 3.15Å; I186-G188 VanDerWaalsContact O-N 3.11Å
189I85Confident84.7Confident7 Ų765.9 Ų65.94%0.03633%0.326CS..  trans-109106.8177.9-55.6-179.1000109.2A166 A169 L170 L183 I186 I193 A194 I197A166-I189 HydrophobicContact CB-CG1 4.08Å; A169-I189 HydrophobicContact CB-CD1 4.19Å; A169-I189 HydrophobicContact CB-CG1 4.04Å; L170-I189 HydrophobicContact CD2-CD1 3.73Å; L170-I189 HydrophobicContact CG-CD1 4.01Å; L183-I189 HydrophobicContact CB-CG2 4.24Å; L183-I189 HydrophobicContact CD2-CD1 3.93Å; L183-I189 WeakPolarHBondContact O-CB 3.42Å; I186-I189 HydrophobicContact CB-CD1 4.15Å; I186-I189 HydrophobicContact CB-CG1 4.47Å; I186-I189 HydrophobicContact CD1-CD1 4.36Å; I186-I189 HydrophobicContact CG2-CD1 3.98Å; I186-I189 HydrophobicContact CG2-CG1 4.23Å; I186-I189 PolarHBondContact O-N 3.41Å; I189-I193 HydrophobicContact CG2-CB 4.18Å; I189-I193 HydrophobicContact CG2-CG2 4.12Å; I189-A194 HydrophobicContact CG2-CB 4.08Å; I189-I197 HydrophobicContact CD1-CD1 4.5Å; I189-I197 HydrophobicContact CG2-CD1 4.37Å
190G84.9Confident85.1Confident42 Ų4265 Ų6543%0.43332%0.315SS..  trans-84.9168.7174.800000112.8R192 I193 A194G190-R192 VanDerWaalsContact C-N 3.33Å; G190-R192 PolarHBondContact O-N 3.05Å; G190-I193 PolarHBondContact O-N 3.34Å; G190-A194 PolarHBondContact O-N 3.07Å
191K86.4Confident85.4Confident141 Ų14167.8 Ų67.861%0.61332%0.323SS*.Hα-helixtrans-43.5-53-179.8179.7178.2173.5178.90113.5I193 A194 E195K191-I193 VanDerWaalsContact C-N 3.32Å; K191-I193 PolarHBondContact O-N 2.81Å; K191-A194 WeakPolarHBondContact O-CB 3.46Å; K191-A194 PolarHBondContact O-N 3.09Å; K191-E195 WeakPolarHBondContact CE-OE1 3.39Å; K191-E195 WeakPolarHBondContact CG-OE1 3.33Å; K191-E195 WeakPolarHBondContact O-CG 3.45Å; K191-E195 PolarHBondContact O-N 2.75Å
192R87.7Confident85.6Confident172 Ų17268.1 Ų68.165%0.64932%0.322SS*.Hα-helixtrans-65.1-28.7-177.7-72.2-179.4172.4163.9-2.1114.8G190 K196G190-R192 VanDerWaalsContact C-N 3.33Å; G190-R192 PolarHBondContact O-N 3.05Å; R192-K196 WeakPolarHBondContact O-CG 3.49Å; R192-K196 PolarHBondContact O-N 3Å
193I88.4Confident85.7Confident17 Ų1769.9 Ų69.99%0.08734%0.34CS..Hα-helixtrans-81.6-41177.3-61.5178.5000109A162 A166 I189 G190 K191 E195 K196 I197A162-I193 HydrophobicContact CB-CD1 4.12Å; A166-I193 HydrophobicContact CB-CD1 4Å; A166-I193 HydrophobicContact CB-CG2 3.69Å; I189-I193 HydrophobicContact CG2-CB 4.18Å; I189-I193 HydrophobicContact CG2-CG2 4.12Å; G190-I193 PolarHBondContact O-N 3.34Å; K191-I193 VanDerWaalsContact C-N 3.32Å; K191-I193 PolarHBondContact O-N 2.81Å; I193-E195 VanDerWaalsContact C-N 3.3Å; I193-E195 PolarHBondContact O-N 2.92Å; I193-K196 PolarHBondContact O-N 2.92Å; I193-K196 VanDerWaalsContact O-N 3.14Å; I193-I197 HydrophobicContact CG2-CD1 3.93Å; I193-I197 HydrophobicContact CG2-CG1 4.43Å; I193-I197 WeakPolarHBondContact O-CG1 3.44Å; I193-I197 PolarHBondContact O-N 2.83Å
194A88.5Confident85.6Confident0 Ų072.2 Ų72.20%036%0.364CS..Hα-helixtrans-57.4-43.2174.100000112L183 R184 I189 G190 K191 K196 I197 E198L183-A194 HydrophobicContact CB-CB 3.68Å; L183-A194 HydrophobicContact CD1-CB 4.25Å; R184-A194 HydrophobicContact CG-CB 3.84Å; I189-A194 HydrophobicContact CG2-CB 4.08Å; G190-A194 PolarHBondContact O-N 3.07Å; K191-A194 WeakPolarHBondContact O-CB 3.46Å; K191-A194 PolarHBondContact O-N 3.09Å; A194-K196 PolarHBondContact O-N 2.97Å; A194-I197 PolarHBondContact O-N 2.99Å; A194-E198 WeakPolarHBondContact O-CB 3.47Å; A194-E198 PolarHBondContact O-N 3.32Å
195E86.9Confident85.4Confident74 Ų7468.3 Ų68.335%0.34635%0.353SS..Hα-helixtrans-58.7-44.5174.1-73.7164.7175.900111.9K191 I193 I197 E198 D199K191-E195 WeakPolarHBondContact CE-OE1 3.39Å; K191-E195 WeakPolarHBondContact CG-OE1 3.33Å; K191-E195 WeakPolarHBondContact O-CG 3.45Å; K191-E195 PolarHBondContact O-N 2.75Å; I193-E195 VanDerWaalsContact C-N 3.3Å; I193-E195 PolarHBondContact O-N 2.92Å; E195-I197 PolarHBondContact O-N 3.02Å; E195-E198 WeakPolarHBondContact O-CB 3.46Å; E195-E198 PolarHBondContact O-N 2.75Å; E195-D199 VanDerWaalsContact O-CG 3.25Å; E195-D199 PolarHBondContact O-N 3.48Å
196K87.5Confident85.3Confident45 Ų4564.1 Ų64.120%0.19632%0.323CS..Hα-helixtrans-66.8-36.3178.8-72.5176.6-175.8-174.30113.6L147 Y163 R192 I193 A194 E198 D199 Y200 V206L147-K196 HydrophobicContact CD1-CD 4.48Å; Y163-K196 HydrophobicContact CE1-CD 4.46Å; Y163-K196 VanDerWaalsContact OH-CD 3.29Å; Y163-K196 WeakPolarHBondContact OH-CD 3.44Å; Y163-K196 PolarHBondContact OH-NZ 2.7Å; R192-K196 WeakPolarHBondContact O-CG 3.49Å; R192-K196 PolarHBondContact O-N 3Å; I193-K196 PolarHBondContact O-N 2.92Å; I193-K196 VanDerWaalsContact O-N 3.14Å; A194-K196 PolarHBondContact O-N 2.97Å; K196-E198 VanDerWaalsContact C-N 3.31Å; K196-D199 PolarHBondContact O-N 3.15Å; K196-Y200 PolarHBondContact O-N 3.34Å; K196-V206 HydrophobicContact CB-CG1 4.22Å; K196-V206 HydrophobicContact CD-CG1 4.3Å; K196-V206 HydrophobicContact CG-CG1 4.12Å
197I87.1Confident85.2Confident1 Ų169.7 Ų69.71%0.00535%0.349CS..Hα-helixtrans-66.6-39.9174.5-65.8163.5000109.6V139 L143 L170 L183 I189 I193 A194 E195 Y200 W201V139-I197 HydrophobicContact CG1-CB 4.44Å; V139-I197 HydrophobicContact CG1-CG1 4.03Å; V139-I197 HydrophobicContact CG1-CG2 3.97Å; L143-I197 HydrophobicContact CD1-CD1 4.26Å; L143-I197 HydrophobicContact CD1-CG1 3.99Å; L170-I197 HydrophobicContact CD1-CD1 3.96Å; L170-I197 HydrophobicContact CD2-CD1 4.26Å; L183-I197 HydrophobicContact CD1-CB 3.67Å; L183-I197 HydrophobicContact CD1-CD1 4.09Å; L183-I197 HydrophobicContact CD1-CG2 3.51Å; L183-I197 HydrophobicContact CD2-CD1 3.92Å; L183-I197 HydrophobicContact CD2-CG2 4.35Å; I189-I197 HydrophobicContact CD1-CD1 4.5Å; I189-I197 HydrophobicContact CG2-CD1 4.37Å; I193-I197 HydrophobicContact CG2-CD1 3.93Å; I193-I197 HydrophobicContact CG2-CG1 4.43Å; I193-I197 WeakPolarHBondContact O-CG1 3.44Å; I193-I197 PolarHBondContact O-N 2.83Å; A194-I197 PolarHBondContact O-N 2.99Å; E195-I197 PolarHBondContact O-N 3.02Å; I197-Y200 WeakPolarHBondContact O-CB 2.95Å; I197-Y200 PolarHBondContact O-N 2.81Å; I197-W201 HydrophobicContact CG2-CD2 4.01Å; I197-W201 HydrophobicContact CG2-CE3 4.38Å; I197-W201 HydrophobicContact CG2-CH2 3.92Å; I197-W201 HydrophobicContact CG2-CZ2 3.48Å; I197-W201 VanDerWaalsContact CG2-CZ2 3.48Å; I197-W201 HydrophobicContact CG2-CZ3 4.34Å; I197-W201 PolarHBondContact O-N 3.24Å
198E85.2Confident85.1Confident53 Ų5362.2 Ų62.225%0.24832%0.323CS..Hα-helixtrans-64.5-41174.6-167.1-176.6165.100112.1S180 A194 E195 K196 Y200 W201 K202S180-E198 WeakPolarHBondContact CB-OE2 3.32Å; S180-E198 PolarHBondContact OG-OE2 2.78Å; A194-E198 WeakPolarHBondContact O-CB 3.47Å; A194-E198 PolarHBondContact O-N 3.32Å; E195-E198 WeakPolarHBondContact O-CB 3.46Å; E195-E198 PolarHBondContact O-N 2.75Å; K196-E198 VanDerWaalsContact C-N 3.31Å; E198-Y200 VanDerWaalsContact C-N 3.3Å; E198-Y200 PolarHBondContact O-N 2.79Å; E198-W201 PolarHBondContact O-N 2.88Å; E198-K202 HydrophobicContact CG-CD 4.47Å; E198-K202 WeakPolarHBondContact O-CG 3.29Å; E198-K202 PolarHBondContact O-N 3Å; E198-K202 VanDerWaalsContact OE1-CE 3.28Å; E198-K202 WeakPolarHBondContact OE1-CE 3.16Å; E198-K202 IonicContact OE1-NZ 2.83Å; E198-K202 PolarHBondContact OE1-NZ 3.25Å
199D84Confident85.2Confident78 Ų7860.3 Ų60.342%0.41730%0.304SS..Hα-helixtrans-60.3-40.6173.6-67.3-23.1000111.4E195 K196 K202 S203E195-D199 VanDerWaalsContact O-CG 3.25Å; E195-D199 PolarHBondContact O-N 3.48Å; K196-D199 PolarHBondContact O-N 3.15Å; D199-K202 PolarHBondContact O-N 3.32Å; D199-S203 WeakPolarHBondContact O-CB 3.37Å; D199-S203 PolarHBondContact O-N 3.12Å; D199-S203 PolarHBondContact O-OG 2.83Å
200Y85.9Confident85.2Confident31 Ų3163.6 Ų63.612%0.12232%0.319CS..Hα-helixtrans-62.9-46.3174.4-174.3-88.2000111.6S138 V139 E142 K196 I197 E198 K202 S203 G204 V206S138-Y200 PolarHBondContact OG-OH 3.25Å; V139-Y200 HydrophobicContact CB-CD1 4.14Å; V139-Y200 HydrophobicContact CB-CE1 4.22Å; V139-Y200 HydrophobicContact CG2-CD1 3.25Å; V139-Y200 HydrophobicContact CG2-CE1 3.48Å; V139-Y200 VanDerWaalsContact CG2-CE1 3.48Å; V139-Y200 HydrophobicContact CG2-CG 4.15Å; E142-Y200 HydrophobicContact CB-CD2 4.18Å; E142-Y200 HydrophobicContact CB-CE2 3.65Å; E142-Y200 HydrophobicContact CG-CD2 3.93Å; E142-Y200 HydrophobicContact CG-CE2 3.67Å; K196-Y200 PolarHBondContact O-N 3.34Å; I197-Y200 WeakPolarHBondContact O-CB 2.95Å; I197-Y200 PolarHBondContact O-N 2.81Å; E198-Y200 VanDerWaalsContact C-N 3.3Å; E198-Y200 PolarHBondContact O-N 2.79Å; Y200-K202 PolarHBondContact O-N 2.81Å; Y200-S203 PolarHBondContact O-N 3.41Å; Y200-G204 VanDerWaalsContact CE2-O 3.29Å; Y200-G204 WeakPolarHBondContact CE2-O 3.3Å; Y200-G204 VanDerWaalsContact O-CA 3.24Å; Y200-G204 WeakPolarHBondContact O-CA 3.24Å; Y200-G204 PolarHBondContact O-N 2.77Å; Y200-V206 HydrophobicContact CD2-CG2 4.19Å
201W84.6Confident85.2Confident79 Ų7966.8 Ų66.830%0.29932%0.321SS..Hα-helixtrans-61.4-32176.7-65.9-28.4000113.1I177 L183 I197 E198I177-W201 HydrophobicContact CB-CH2 4.06Å; I177-W201 HydrophobicContact CB-CZ2 4.32Å; I177-W201 HydrophobicContact CG2-CH2 3.73Å; I177-W201 HydrophobicContact CG2-CZ2 4.41Å; L183-W201 HydrophobicContact CD1-CH2 3.53Å; L183-W201 HydrophobicContact CD1-CZ2 4.3Å; L183-W201 HydrophobicContact CD1-CZ3 3.76Å; L183-W201 HydrophobicContact CD2-CH2 4.28Å; L183-W201 HydrophobicContact CG-CH2 3.92Å; L183-W201 HydrophobicContact CG-CZ3 4.45Å; I197-W201 HydrophobicContact CG2-CD2 4.01Å; I197-W201 HydrophobicContact CG2-CE3 4.38Å; I197-W201 HydrophobicContact CG2-CH2 3.92Å; I197-W201 HydrophobicContact CG2-CZ2 3.48Å; I197-W201 VanDerWaalsContact CG2-CZ2 3.48Å; I197-W201 HydrophobicContact CG2-CZ3 4.34Å; I197-W201 PolarHBondContact O-N 3.24Å; E198-W201 PolarHBondContact O-N 2.88Å
202K85.5Confident85.1Confident147 Ų14760.9 Ų60.964%0.63930%0.295SS*.Hα-helixtrans-78.5-38.9178.7-72.4171.2-176164.50113.5E198 D199 Y200E198-K202 HydrophobicContact CG-CD 4.47Å; E198-K202 WeakPolarHBondContact O-CG 3.29Å; E198-K202 PolarHBondContact O-N 3Å; E198-K202 VanDerWaalsContact OE1-CE 3.28Å; E198-K202 WeakPolarHBondContact OE1-CE 3.16Å; E198-K202 IonicContact OE1-NZ 2.83Å; E198-K202 PolarHBondContact OE1-NZ 3.25Å; D199-K202 PolarHBondContact O-N 3.32Å; Y200-K202 PolarHBondContact O-N 2.81Å
203S84.9Confident84.9Confident86 Ų8656.6 Ų56.660%0.60128%0.281SS*.Hα-helixtrans-117.7-10.9-166.9680000114.9D199 Y200 S205D199-S203 WeakPolarHBondContact O-CB 3.37Å; D199-S203 PolarHBondContact O-N 3.12Å; D199-S203 PolarHBondContact O-OG 2.83Å; Y200-S203 PolarHBondContact O-N 3.41Å; S203-S205 PolarHBondContact O-N 2.77Å; S203-S205 PolarHBondContact OG-N 3.27Å; S203-S205 PolarHBondContact OG-O 2.76Å
204G84.1Confident84.8Confident50 Ų5060.8 Ų60.852%0.51531%0.308SS..SBendtrans76.12.3-173.700000114.5Y200Y200-G204 VanDerWaalsContact CE2-O 3.29Å; Y200-G204 WeakPolarHBondContact CE2-O 3.3Å; Y200-G204 VanDerWaalsContact O-CA 3.24Å; Y200-G204 WeakPolarHBondContact O-CA 3.24Å; Y200-G204 PolarHBondContact O-N 2.77Å
205S82.3Confident84.9Confident24 Ų2464 Ų6417%0.16833%0.325CS..SBendtrans-152.4165.3177.5-178.10000111.2S203 E210S203-S205 PolarHBondContact O-N 2.77Å; S203-S205 PolarHBondContact OG-N 3.27Å; S203-S205 PolarHBondContact OG-O 2.76Å; S205-E210 VanDerWaalsContact OG-CG 3.22Å; S205-E210 WeakPolarHBondContact OG-CG 3.44Å; S205-E210 PolarHBondContact OG-OE1 3.3Å
206V83.5Confident85.1Confident3 Ų365.9 Ų65.92%0.01833%0.334CS..  trans-107.2124.1170.7-178.40000107.8L147 K196 Y200 K208 A209 E210L147-V206 HydrophobicContact CD1-CG1 4.26Å; K196-V206 HydrophobicContact CB-CG1 4.22Å; K196-V206 HydrophobicContact CD-CG1 4.3Å; K196-V206 HydrophobicContact CG-CG1 4.12Å; Y200-V206 HydrophobicContact CD2-CG2 4.19Å; V206-K208 HydrophobicContact CG1-CB 4.25Å; V206-K208 PolarHBondContact O-N 2.57Å; V206-A209 HydrophobicContact CB-CB 3.9Å; V206-A209 WeakPolarHBondContact O-CA 3.36Å; V206-A209 WeakPolarHBondContact O-CB 3.38Å; V206-A209 PolarHBondContact O-N 3.38Å; V206-E210 PolarHBondContact O-N 3.12Å; V206-E210 VanDerWaalsContact O-N 3.08Å
207E82.2Confident85.4Confident133 Ų13368 Ų6862%0.62134%0.34SS*.Hα-helixtrans-50.9-39-178.9-170.7-157.2155.600112.6A209 E210 K211E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 2.96Å; E207-E210 PolarHBondContact O-N 3.19Å; E207-K211 WeakPolarHBondContact O-CG 3.14Å; E207-K211 PolarHBondContact O-N 3.26Å; E207-K211 WeakPolarHBondContact OE1-CE 3.4Å; E207-K211 IonicContact OE1-NZ 3.2Å; E207-K211 PolarHBondContact OE1-NZ 3.38Å
208K81Confident85.6Confident84 Ų8468.3 Ų68.337%0.36534%0.342SS..Hα-helixtrans-67.9-31.6177.2-16859.1167.9176.30112.8L147 Y151 V206 F212L147-K208 HydrophobicContact CD2-CB 4.06Å; L147-K208 HydrophobicContact CD2-CG 3.89Å; Y151-K208 WeakPolarHBondContact OH-CE 3.48Å; V206-K208 HydrophobicContact CG1-CB 4.25Å; V206-K208 PolarHBondContact O-N 2.57Å; K208-F212 HydrophobicContact CD-CD2 4.29Å; K208-F212 HydrophobicContact CD-CE2 4.02Å; K208-F212 VanDerWaalsContact CE-CE2 3.48Å; K208-F212 HydrophobicContact CG-CD2 4.42Å; K208-F212 HydrophobicContact CG-CE2 4.27Å; K208-F212 WeakPolarHBondContact O-CD2 3.49Å; K208-F212 PolarHBondContact O-N 3Å; K208-F212 VanDerWaalsContact O-N 3.12Å
209A84Confident85.9Confident0 Ų070.7 Ų70.70%035%0.353CS..Hα-helixtrans-69.4-45.5175.100000110.2E142 V146 L147 V206 E207 K211 F212 K213E142-A209 HydrophobicContact CG-CB 4.36Å; E142-A209 WeakPolarHBondContact OE1-CB 3.47Å; V146-A209 HydrophobicContact CB-CB 3.84Å; V146-A209 VanDerWaalsContact CG1-CA 3.45Å; V146-A209 HydrophobicContact CG1-CB 3.54Å; V146-A209 WeakPolarHBondContact CG1-O 3.02Å; V146-A209 HydrophobicContact CG2-CB 4.36Å; L147-A209 HydrophobicContact CD2-CB 4.23Å; L147-A209 HydrophobicContact CG-CB 4.24Å; V206-A209 HydrophobicContact CB-CB 3.9Å; V206-A209 WeakPolarHBondContact O-CA 3.36Å; V206-A209 WeakPolarHBondContact O-CB 3.38Å; V206-A209 PolarHBondContact O-N 3.38Å; E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 2.96Å; A209-K211 VanDerWaalsContact C-N 3.33Å; A209-K211 PolarHBondContact O-N 3.23Å; A209-F212 CarbonylContact O-C 3.57Å; A209-F212 WeakPolarHBondContact O-CA 3.42Å; A209-F212 WeakPolarHBondContact O-CB 3.35Å; A209-F212 PolarHBondContact O-N 3.36Å; A209-K213 WeakPolarHBondContact O-CG 3.44Å; A209-K213 PolarHBondContact O-N 3.44Å
210E84.4Confident86.5Confident76 Ų7667.5 Ų67.536%0.35534%0.337SS..Hα-helixtrans-60.2-41.7173.4-65.5-53.6134.100112.7S205 V206 E207 F212 K213 T214S205-E210 VanDerWaalsContact OG-CG 3.22Å; S205-E210 WeakPolarHBondContact OG-CG 3.44Å; S205-E210 PolarHBondContact OG-OE1 3.3Å; V206-E210 PolarHBondContact O-N 3.12Å; V206-E210 VanDerWaalsContact O-N 3.08Å; E207-E210 PolarHBondContact O-N 3.19Å; E210-F212 PolarHBondContact O-N 2.94Å; E210-K213 PolarHBondContact O-N 3.04Å; E210-K213 IonicContact OE1-NZ 2.88Å; E210-K213 PolarHBondContact OE1-NZ 3.46Å; E210-T214 WeakPolarHBondContact O-CB 3.37Å; E210-T214 WeakPolarHBondContact O-CG2 3.29Å; E210-T214 PolarHBondContact O-N 2.9Å; E210-T214 PolarHBondContact O-OG1 3.32Å
211K84.5Confident86.9Confident108 Ų10866 Ų6647%0.4733%0.331SS..Hα-helixtrans-61.1-27172.2-77.2174.7172.1170.90113E207 A209 N215E207-K211 WeakPolarHBondContact O-CG 3.14Å; E207-K211 PolarHBondContact O-N 3.26Å; E207-K211 WeakPolarHBondContact OE1-CE 3.4Å; E207-K211 IonicContact OE1-NZ 3.2Å; E207-K211 PolarHBondContact OE1-NZ 3.38Å; A209-K211 VanDerWaalsContact C-N 3.33Å; A209-K211 PolarHBondContact O-N 3.23Å; K211-N215 VanDerWaalsContact O-CB 3.31Å; K211-N215 WeakPolarHBondContact O-CB 3.41Å
212F84.1Confident87.3Confident17 Ų1766.3 Ų66.38%0.07534%0.335CS..Hα-helixtrans-80.4-45.9176.8-89-142.7000110.8V146 Y151 K208 A209 E210 T214 N215 L218V146-F212 HydrophobicContact CG1-CB 3.83Å; V146-F212 WeakPolarHBondContact O-CD1 3.37Å; Y151-F212 HydrophobicContact CD1-CE1 4.23Å; Y151-F212 HydrophobicContact CD1-CZ 4.02Å; Y151-F212 HydrophobicContact CD2-CE1 4.17Å; Y151-F212 HydrophobicContact CD2-CZ 4.46Å; Y151-F212 HydrophobicContact CE1-CE1 4.22Å; Y151-F212 AromaticContact CE1-CZ 3.63Å; Y151-F212 HydrophobicContact CE1-CZ 3.63Å; Y151-F212 HydrophobicContact CE2-CE1 4.12Å; Y151-F212 HydrophobicContact CE2-CZ 4.09Å; Y151-F212 HydrophobicContact CG-CE1 4.17Å; Y151-F212 HydrophobicContact CG-CZ 4.39Å; Y151-F212 AromaticContact CZ-CZ 3.65Å; K208-F212 HydrophobicContact CD-CD2 4.29Å; K208-F212 HydrophobicContact CD-CE2 4.02Å; K208-F212 VanDerWaalsContact CE-CE2 3.48Å; K208-F212 HydrophobicContact CG-CD2 4.42Å; K208-F212 HydrophobicContact CG-CE2 4.27Å; K208-F212 WeakPolarHBondContact O-CD2 3.49Å; K208-F212 PolarHBondContact O-N 3Å; K208-F212 VanDerWaalsContact O-N 3.12Å; A209-F212 CarbonylContact O-C 3.57Å; A209-F212 WeakPolarHBondContact O-CA 3.42Å; A209-F212 WeakPolarHBondContact O-CB 3.35Å; A209-F212 PolarHBondContact O-N 3.36Å; E210-F212 PolarHBondContact O-N 2.94Å; F212-T214 VanDerWaalsContact C-N 3.26Å; F212-T214 PolarHBondContact O-N 3.16Å; F212-N215 PolarHBondContact O-N 3.42Å; F212-L218 HydrophobicContact CB-CD1 3.99Å; F212-L218 HydrophobicContact CD1-CD1 3.74Å; F212-L218 HydrophobicContact CD2-CD1 3.67Å; F212-L218 HydrophobicContact CE1-CD1 4.05Å; F212-L218 HydrophobicContact CE2-CD1 3.94Å; F212-L218 HydrophobicContact CG-CD1 3.52Å; F212-L218 HydrophobicContact CZ-CD1 4.13Å
213K84.4Confident87.8Confident82 Ų8261.8 Ų61.836%0.35732%0.318SS..Hα-helixtrans-55.8-40175.1-68.8176.2-169.3164.10112.1E142 V146 A209 E210 Q219E142-K213 WeakPolarHBondContact OE1-CE 3.46Å; E142-K213 IonicContact OE1-NZ 3.91Å; E142-K213 PolarHBondContact OE1-NZ 3.32Å; E142-K213 IonicContact OE2-NZ 2.7Å; E142-K213 PolarHBondContact OE2-NZ 2.92Å; V146-K213 HydrophobicContact CG1-CG 3.82Å; V146-K213 HydrophobicContact CG2-CD 4.47Å; V146-K213 HydrophobicContact CG2-CG 4.4Å; A209-K213 WeakPolarHBondContact O-CG 3.44Å; A209-K213 PolarHBondContact O-N 3.44Å; E210-K213 PolarHBondContact O-N 3.04Å; E210-K213 IonicContact OE1-NZ 2.88Å; E210-K213 PolarHBondContact OE1-NZ 3.46Å; K213-Q219 PolarHBondContact O-NE2 2.85Å
214T87.2Confident88.4Confident106 Ų10657.7 Ų57.765%0.6529%0.289SS*.THydrogen-bonded Turntrans-85.5-6.6-177.252.20000114.7E210 F212 E216E210-T214 WeakPolarHBondContact O-CB 3.37Å; E210-T214 WeakPolarHBondContact O-CG2 3.29Å; E210-T214 PolarHBondContact O-N 2.9Å; E210-T214 PolarHBondContact O-OG1 3.32Å; F212-T214 VanDerWaalsContact C-N 3.26Å; F212-T214 PolarHBondContact O-N 3.16Å; T214-E216 PolarHBondContact O-N 3.17Å
215N90.2Very high89Confident66 Ų6657 Ų5735%0.35327%0.274SS..  trans-86.6106.8-175.4-173.2-42.8000111.6K211 F212 R217 L218 Q219K211-N215 VanDerWaalsContact O-CB 3.31Å; K211-N215 WeakPolarHBondContact O-CB 3.41Å; F212-N215 PolarHBondContact O-N 3.42Å; N215-R217 PolarHBondContact O-N 2.95Å; N215-R217 WeakPolarHBondContact OD1-CA 3.43Å; N215-R217 VanDerWaalsContact OD1-CB 3.29Å; N215-R217 WeakPolarHBondContact OD1-CB 3.41Å; N215-R217 PolarHBondContact OD1-N 3.31Å; N215-L218 HydrophobicContact CB-CB 4.11Å; N215-L218 HydrophobicContact CB-CD1 3.93Å; N215-L218 HydrophobicContact CB-CG 3.98Å; N215-L218 PolarHBondContact O-N 3.17Å; N215-L218 PolarHBondContact OD1-N 2.96Å; N215-Q219 PolarHBondContact O-N 3.19Å
216E91.5Very high89.6Confident114 Ų11457.1 Ų57.153%0.53328%0.275SS..Hα-helixtrans-50.4-43.6178.8-172.2-157.6147.300112.5T214 L218 Q219 V220 R244T214-E216 PolarHBondContact O-N 3.17Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 3Å; E216-Q219 PolarHBondContact O-N 3.33Å; E216-V220 HydrophobicContact CG-CG2 4.5Å; E216-V220 VanDerWaalsContact O-CG2 3.3Å; E216-V220 WeakPolarHBondContact O-CG2 2.89Å; E216-V220 PolarHBondContact O-N 3.08Å; E216-R244 IonicContact OE1-NE 2.85Å
217R93.5Very high90.3Very high89 Ų8957 Ų5734%0.33627%0.274SS..Hα-helixtrans-61-44.2179.3176.9178.6177.1-881.2111.1N215 V220 L221 E236 Y239N215-R217 PolarHBondContact O-N 2.95Å; N215-R217 WeakPolarHBondContact OD1-CA 3.43Å; N215-R217 VanDerWaalsContact OD1-CB 3.29Å; N215-R217 WeakPolarHBondContact OD1-CB 3.41Å; N215-R217 PolarHBondContact OD1-N 3.31Å; R217-V220 PolarHBondContact O-N 2.74Å; R217-L221 HydrophobicContact CG-CD1 4.03Å; R217-L221 HydrophobicContact CG-CG 4.39Å; R217-L221 WeakPolarHBondContact O-CB 3.32Å; R217-L221 WeakPolarHBondContact O-CG 3.14Å; R217-L221 PolarHBondContact O-N 3.18Å; R217-E236 IonicContact CZ-OE1 3.45Å; R217-E236 IonicContact CZ-OE2 3.27Å; R217-E236 IonicContact NE-OE2 3.2Å; R217-E236 IonicContact NH1-OE1 2.59Å; R217-E236 IonicContact NH2-OE1 3.51Å; R217-E236 PolarHBondContact NH2-OE1 3.33Å; R217-E236 IonicContact NH2-OE2 2.76Å; R217-E236 PolarHBondContact NH2-OE2 2.89Å; R217-Y239 HydrophobicContact CB-CE1 4.33Å; R217-Y239 HydrophobicContact CB-CE2 4.12Å; R217-Y239 HydrophobicContact CG-CD1 4.25Å; R217-Y239 HydrophobicContact CG-CD2 4.47Å; R217-Y239 HydrophobicContact CG-CE1 3.78Å; R217-Y239 HydrophobicContact CG-CE2 4.02Å
218L90.6Very high90.9Very high9 Ų953.2 Ų53.25%0.04725%0.254CS..Hα-helixtrans-65.9-43178.8-66.2-179000111.7I154 F212 N215 E216 V220 L221 E222I154-L218 HydrophobicContact CG2-CD2 3.19Å; F212-L218 HydrophobicContact CB-CD1 3.99Å; F212-L218 HydrophobicContact CD1-CD1 3.74Å; F212-L218 HydrophobicContact CD2-CD1 3.67Å; F212-L218 HydrophobicContact CE1-CD1 4.05Å; F212-L218 HydrophobicContact CE2-CD1 3.94Å; F212-L218 HydrophobicContact CG-CD1 3.52Å; F212-L218 HydrophobicContact CZ-CD1 4.13Å; N215-L218 HydrophobicContact CB-CB 4.11Å; N215-L218 HydrophobicContact CB-CD1 3.93Å; N215-L218 HydrophobicContact CB-CG 3.98Å; N215-L218 PolarHBondContact O-N 3.17Å; N215-L218 PolarHBondContact OD1-N 2.96Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 3Å; L218-V220 VanDerWaalsContact C-N 3.31Å; L218-V220 PolarHBondContact O-N 2.88Å; L218-L221 PolarHBondContact O-N 2.94Å; L218-E222 WeakPolarHBondContact O-CB 3.47Å; L218-E222 PolarHBondContact O-N 2.59Å
219Q92.1Very high91.6Very high102 Ų10251 Ų5148%0.47726%0.255SS..Hα-helixtrans-57.2-44.2175.6-66.7175.7-8.200111.7K213 N215 E216 L223K213-Q219 PolarHBondContact O-NE2 2.85Å; N215-Q219 PolarHBondContact O-N 3.19Å; E216-Q219 PolarHBondContact O-N 3.33Å; Q219-L223 WeakPolarHBondContact O-CB 3.08Å; Q219-L223 PolarHBondContact O-N 2.71Å
220V95.3Very high92.2Very high12 Ų1251.6 Ų51.67%0.07326%0.259CS..Hα-helixtrans-67.8-42.1177.6176.40000111.4E216 R217 L218 E222 L223 F224 Y239 R244E216-V220 HydrophobicContact CG-CG2 4.5Å; E216-V220 VanDerWaalsContact O-CG2 3.3Å; E216-V220 WeakPolarHBondContact O-CG2 2.89Å; E216-V220 PolarHBondContact O-N 3.08Å; R217-V220 PolarHBondContact O-N 2.74Å; L218-V220 VanDerWaalsContact C-N 3.31Å; L218-V220 PolarHBondContact O-N 2.88Å; V220-E222 VanDerWaalsContact C-N 3.33Å; V220-E222 PolarHBondContact O-N 2.7Å; V220-L223 WeakPolarHBondContact O-CB 3.48Å; V220-L223 PolarHBondContact O-N 3.32Å; V220-F224 HydrophobicContact CG1-CD2 3.95Å; V220-F224 HydrophobicContact CG1-CE1 4.11Å; V220-F224 HydrophobicContact CG1-CE2 3.4Å; V220-F224 HydrophobicContact CG1-CZ 3.49Å; V220-F224 VanDerWaalsContact CG1-CZ 3.49Å; V220-F224 WeakPolarHBondContact O-CG 3.3Å; V220-F224 PolarHBondContact O-N 3.22Å; V220-Y239 HydrophobicContact CB-CD2 3.9Å; V220-Y239 HydrophobicContact CB-CE2 3.96Å; V220-Y239 HydrophobicContact CG1-CD2 3.58Å; V220-Y239 HydrophobicContact CG1-CE2 4.06Å; V220-Y239 HydrophobicContact CG2-CE2 4.28Å; V220-R244 HydrophobicContact CG2-CB 4.48Å
221L95.3Very high92.6Very high0 Ų049.5 Ų49.50%026%0.257CS..Hα-helixtrans-63.7-41.2178.8-69.9174000111.6I154 R217 L218 F224 N225 S235 E236 Y239I154-L221 HydrophobicContact CG2-CD1 3.93Å; R217-L221 HydrophobicContact CG-CD1 4.03Å; R217-L221 HydrophobicContact CG-CG 4.39Å; R217-L221 WeakPolarHBondContact O-CB 3.32Å; R217-L221 WeakPolarHBondContact O-CG 3.14Å; R217-L221 PolarHBondContact O-N 3.18Å; L218-L221 PolarHBondContact O-N 2.94Å; L221-F224 PolarHBondContact O-N 3.21Å; L221-N225 WeakPolarHBondContact O-CB 3.27Å; L221-N225 PolarHBondContact O-N 2.98Å; L221-N225 PolarHBondContact O-ND2 3.1Å; L221-S235 VanDerWaalsContact CA-OG 3.28Å; L221-S235 WeakPolarHBondContact CA-OG 3.01Å; L221-S235 WeakPolarHBondContact CD2-OG 3.46Å; L221-S235 PolarHBondContact O-OG 3.19Å; L221-E236 WeakPolarHBondContact CD1-OE1 3.49Å; L221-E236 HydrophobicContact CD2-CG 3.98Å; L221-Y239 HydrophobicContact CD2-CG 4.38Å
222E93.5Very high92.9Very high84 Ų8445.7 Ų45.739%0.39324%0.244SC..Hα-helixtrans-63.2-45.4174.2-177.7164.5-14700111.5S149 L218 V220 F224 N225 S226S149-E222 PolarHBondContact OG-OE1 2.78Å; L218-E222 WeakPolarHBondContact O-CB 3.47Å; L218-E222 PolarHBondContact O-N 2.59Å; V220-E222 VanDerWaalsContact C-N 3.33Å; V220-E222 PolarHBondContact O-N 2.7Å; E222-F224 VanDerWaalsContact C-N 3.29Å; E222-F224 PolarHBondContact O-N 3.05Å; E222-N225 PolarHBondContact O-N 3.18Å; E222-S226 PolarHBondContact O-N 3.27Å
223L95.5Very high93.3Very high52 Ų5248.9 Ų48.927%0.27227%0.265SS..Hα-helixtrans-55.3-43.5172.8-179.762.5000111.7Q219 V220 S226 L246Q219-L223 WeakPolarHBondContact O-CB 3.08Å; Q219-L223 PolarHBondContact O-N 2.71Å; V220-L223 WeakPolarHBondContact O-CB 3.48Å; V220-L223 PolarHBondContact O-N 3.32Å; L223-S226 PolarHBondContact O-OG 3.34Å; L223-L246 HydrophobicContact CD1-CD1 4.02Å; L223-L246 HydrophobicContact CD1-CD2 4.02Å; L223-L246 HydrophobicContact CD1-CG 3.87Å; L223-L246 HydrophobicContact CD2-CG 4.31Å; L223-L246 HydrophobicContact CG-CD2 4.01Å; L223-L246 HydrophobicContact CG-CG 4.09Å
224F97.5Very high93.7Very high0 Ų047.6 Ų47.60%026%0.259CS..Hα-helixtrans-73-38.5177.4-65.2-16.9000113.2V220 L221 E222 S226 I227 V230 S235 W238 F243 I249V220-F224 HydrophobicContact CG1-CD2 3.95Å; V220-F224 HydrophobicContact CG1-CE1 4.11Å; V220-F224 HydrophobicContact CG1-CE2 3.4Å; V220-F224 HydrophobicContact CG1-CZ 3.49Å; V220-F224 VanDerWaalsContact CG1-CZ 3.49Å; V220-F224 WeakPolarHBondContact O-CG 3.3Å; V220-F224 PolarHBondContact O-N 3.22Å; L221-F224 PolarHBondContact O-N 3.21Å; E222-F224 VanDerWaalsContact C-N 3.29Å; E222-F224 PolarHBondContact O-N 3.05Å; F224-S226 PolarHBondContact O-N 3.24Å; F224-I227 WeakPolarHBondContact O-CB 3.39Å; F224-I227 PolarHBondContact O-N 3.22Å; F224-I227 VanDerWaalsContact O-N 3.15Å; F224-V230 WeakPolarHBondContact O-CB 3.47Å; F224-V230 WeakPolarHBondContact O-CG1 3.4Å; F224-S235 WeakPolarHBondContact CB-OG 3.29Å; F224-W238 HydrophobicContact CB-CE3 4.17Å; F224-W238 HydrophobicContact CD2-CB 4.01Å; F224-W238 HydrophobicContact CD2-CE3 4.32Å; F224-W238 HydrophobicContact CE2-CB 3.92Å; F224-W238 HydrophobicContact CG-CE3 4.16Å; F224-F243 HydrophobicContact CE2-CB 4.2Å; F224-F243 HydrophobicContact CZ-CB 3.81Å; F224-F243 WeakPolarHBondContact CZ-O 3.23Å; F224-I249 HydrophobicContact CD1-CD1 4.22Å; F224-I249 HydrophobicContact CD1-CG1 3.95Å; F224-I249 HydrophobicContact CE1-CD1 3.86Å; F224-I249 HydrophobicContact CE1-CG1 3.73Å; F224-I249 HydrophobicContact CE2-CD1 4.44Å; F224-I249 HydrophobicContact CZ-CD1 3.97Å; F224-I249 HydrophobicContact CZ-CG1 4.34Å
225N95.9Very high94Very high35 Ų3542.5 Ų42.519%0.18723%0.228CC..Hα-helixtrans-66.8-21.5177.6-71.1-33.2000112.8S153 L221 E222 I227 G231 P232 S235S153-N225 VanDerWaalsContact CA-ND2 3.25Å; S153-N225 WeakPolarHBondContact CA-ND2 3.38Å; S153-N225 WeakPolarHBondContact CB-ND2 3.05Å; S153-N225 PolarHBondContact O-ND2 3.07Å; S153-N225 PolarHBondContact OG-ND2 3.11Å; L221-N225 WeakPolarHBondContact O-CB 3.27Å; L221-N225 PolarHBondContact O-N 2.98Å; L221-N225 PolarHBondContact O-ND2 3.1Å; E222-N225 PolarHBondContact O-N 3.18Å; N225-I227 PolarHBondContact O-N 2.83Å; N225-G231 PolarHBondContact OD1-O 2.77Å; N225-P232 WeakPolarHBondContact OD1-CA 3.37Å; N225-S235 WeakPolarHBondContact OD1-CB 3.49Å
226S95.7Very high94.1Very high27 Ų2741.6 Ų41.619%0.18922%0.221CC..THydrogen-bonded Turntrans-68.6-13.1173.5730000113.9E222 L223 F224 W228 R266E222-S226 PolarHBondContact O-N 3.27Å; L223-S226 PolarHBondContact O-OG 3.34Å; F224-S226 PolarHBondContact O-N 3.24Å; S226-W228 PolarHBondContact O-N 3.13Å; S226-R266 PolarHBondContact OG-NE 3.15Å; S226-R266 PolarHBondContact OG-NH2 3.3Å
227I97.8Very high94.2Very high1 Ų140.5 Ų40.51%0.00522%0.216CC..SBendtrans-78.7119.6172.2-58.8164.7000108.6F224 N225 G229 V230 W238 L246 I249 L263F224-I227 WeakPolarHBondContact O-CB 3.39Å; F224-I227 PolarHBondContact O-N 3.22Å; F224-I227 VanDerWaalsContact O-N 3.15Å; N225-I227 PolarHBondContact O-N 2.83Å; I227-G229 PolarHBondContact O-N 3.44Å; I227-V230 HydrophobicContact CB-CB 4.15Å; I227-V230 HydrophobicContact CB-CG2 3.71Å; I227-V230 HydrophobicContact CG2-CG2 3.67Å; I227-V230 VanDerWaalsContact O-CB 3.29Å; I227-V230 WeakPolarHBondContact O-CB 3.19Å; I227-V230 PolarHBondContact O-N 2.83Å; I227-W238 HydrophobicContact CD1-CZ3 4.05Å; I227-L246 HydrophobicContact CD1-CD2 3.78Å; I227-L246 HydrophobicContact CG1-CD2 4.01Å; I227-I249 HydrophobicContact CD1-CG1 4.49Å; I227-I249 HydrophobicContact CD1-CG2 4.11Å; I227-L263 HydrophobicContact CD1-CD1 3.88Å; I227-L263 HydrophobicContact CG1-CD1 4.05Å; I227-L263 HydrophobicContact CG2-CB 4.01Å
228W95.6Very high94.3Very high54 Ų5436.4 Ų36.421%0.20520%0.201CC..THydrogen-bonded Turntrans-57.9134.4177.7-170.895.2000111.7S226 V230 Q258 F269 L347 M358 R372S226-W228 PolarHBondContact O-N 3.13Å; W228-V230 VanDerWaalsContact C-N 3.33Å; W228-Q258 HydrophobicContact CE3-CB 4.49Å; W228-Q258 HydrophobicContact CH2-CG 4.45Å; W228-Q258 HydrophobicContact CZ3-CB 3.77Å; W228-Q258 HydrophobicContact CZ3-CG 3.91Å; W228-F269 HydrophobicContact CB-CD2 3.84Å; W228-F269 HydrophobicContact CB-CE2 4.28Å; W228-F269 HydrophobicContact CG-CD2 4.33Å; W228-L347 HydrophobicContact CD2-CD1 4.39Å; W228-L347 HydrophobicContact CE3-CD1 4.13Å; W228-L347 HydrophobicContact CE3-CD2 4.02Å; W228-L347 HydrophobicContact CH2-CB 3.89Å; W228-L347 HydrophobicContact CH2-CD1 3.65Å; W228-L347 HydrophobicContact CH2-CD2 4.22Å; W228-L347 HydrophobicContact CH2-CG 4.12Å; W228-L347 HydrophobicContact CZ2-CD1 3.9Å; W228-L347 HydrophobicContact CZ3-CB 4.08Å; W228-L347 HydrophobicContact CZ3-CD1 3.76Å; W228-L347 HydrophobicContact CZ3-CD2 3.59Å; W228-L347 HydrophobicContact CZ3-CG 4Å; W228-M358 HydrophobicContact CH2-CE 4.18Å; W228-M358 HydrophobicContact CZ2-CE 3.67Å; W228-R372 VanDerWaalsContact NE1-NH1 3.15Å
229G95.1Very high94.5Very high37 Ų3738 Ų3838%0.38121%0.206SC..THydrogen-bonded Turntrans83.64.7-173.500000114.7I227 Q259I227-G229 PolarHBondContact O-N 3.44Å; G229-Q259 WeakPolarHBondContact O-CG 3.22Å; G229-Q259 PolarHBondContact O-NE2 3.47Å; G229-Q259 VanDerWaalsContact O-NE2 3.1Å
230V96.4Very high94.6Very high12 Ų1237.2 Ų37.27%0.07322%0.218CC..  trans-111.3120.1171.1-175.70000108.7F224 I227 W228 K234 W238 Q259F224-V230 WeakPolarHBondContact O-CB 3.47Å; F224-V230 WeakPolarHBondContact O-CG1 3.4Å; I227-V230 HydrophobicContact CB-CB 4.15Å; I227-V230 HydrophobicContact CB-CG2 3.71Å; I227-V230 HydrophobicContact CG2-CG2 3.67Å; I227-V230 VanDerWaalsContact O-CB 3.29Å; I227-V230 WeakPolarHBondContact O-CB 3.19Å; I227-V230 PolarHBondContact O-N 2.83Å; W228-V230 VanDerWaalsContact C-N 3.33Å; V230-K234 HydrophobicContact CG1-CB 4.12Å; V230-K234 HydrophobicContact CG1-CG 4.24Å; V230-W238 HydrophobicContact CB-CH2 4.39Å; V230-W238 HydrophobicContact CB-CZ3 4.14Å; V230-W238 HydrophobicContact CG1-CE3 4.04Å; V230-W238 HydrophobicContact CG1-CH2 4.08Å; V230-W238 HydrophobicContact CG1-CZ3 3.52Å; V230-W238 HydrophobicContact CG2-CH2 3.37Å; V230-W238 HydrophobicContact CG2-CZ3 3.5Å; V230-Q259 HydrophobicContact CG2-CG 3.89Å
231G92.1Very high94.6Very high32 Ų3242.1 Ų42.133%0.3324%0.24SC..  trans-110.4176172.700000112N225 V233 K234 S235N225-G231 PolarHBondContact OD1-O 2.77Å; G231-V233 VanDerWaalsContact C-N 3.25Å; G231-V233 PolarHBondContact O-N 2.59Å; G231-K234 PolarHBondContact O-N 3.01Å; G231-S235 PolarHBondContact O-N 3.21Å
232P90.9Very high94.6Very high28 Ų2844.2 Ų44.218%0.18226%0.261CS..Hα-helixtrans-51.2-40.4-173.9-32.838.1000114.1R152 S153 N155 N225 K234 S235 E236R152-P232 WeakPolarHBondContact O-CG 3.35Å; S153-P232 WeakPolarHBondContact O-CB 3.37Å; N155-P232 HydrophobicContact CB-CB 3.55Å; N155-P232 HydrophobicContact CB-CG 4.32Å; N225-P232 WeakPolarHBondContact OD1-CA 3.37Å; P232-K234 VanDerWaalsContact C-N 3.35Å; P232-K234 PolarHBondContact O-N 3.19Å; P232-S235 PolarHBondContact O-N 3.37Å; P232-E236 WeakPolarHBondContact O-CB 3.28Å; P232-E236 WeakPolarHBondContact O-CG 3.35Å; P232-E236 PolarHBondContact O-N 2.61Å
233V92.4Very high94.7Very high85 Ų8541.1 Ų41.152%0.51525%0.247SC..Hα-helixtrans-62.1-41.5178.9177.90000112.2G231 Q237G231-V233 VanDerWaalsContact C-N 3.25Å; G231-V233 PolarHBondContact O-N 2.59Å; V233-Q237 VanDerWaalsContact O-CG 3.32Å; V233-Q237 WeakPolarHBondContact O-CG 3.39Å; V233-Q237 PolarHBondContact O-N 3.05Å
234K92.8Very high94.8Very high54 Ų5442.5 Ų42.524%0.23525%0.248CC..Hα-helixtrans-77.3-38.8-179-173.963173.11760110.8V230 G231 P232 Q237 W238V230-K234 HydrophobicContact CG1-CB 4.12Å; V230-K234 HydrophobicContact CG1-CG 4.24Å; G231-K234 PolarHBondContact O-N 3.01Å; P232-K234 VanDerWaalsContact C-N 3.35Å; P232-K234 PolarHBondContact O-N 3.19Å; K234-Q237 WeakPolarHBondContact O-CB 3.37Å; K234-Q237 PolarHBondContact O-N 2.9Å; K234-W238 HydrophobicContact CD-CZ2 4.42Å; K234-W238 HydrophobicContact CG-CD2 4.34Å; K234-W238 HydrophobicContact CG-CH2 4.37Å; K234-W238 HydrophobicContact CG-CZ2 3.98Å; K234-W238 PolarHBondContact O-N 3.25Å
235S93.8Very high94.8Very high0 Ų045.6 Ų45.60%027%0.267CS..Hα-helixtrans-56.3-47.7172.7176.30000111.5L221 F224 N225 G231 P232 Q237 W238 Y239L221-S235 VanDerWaalsContact CA-OG 3.28Å; L221-S235 WeakPolarHBondContact CA-OG 3.01Å; L221-S235 WeakPolarHBondContact CD2-OG 3.46Å; L221-S235 PolarHBondContact O-OG 3.19Å; F224-S235 WeakPolarHBondContact CB-OG 3.29Å; N225-S235 WeakPolarHBondContact OD1-CB 3.49Å; G231-S235 PolarHBondContact O-N 3.21Å; P232-S235 PolarHBondContact O-N 3.37Å; S235-Q237 PolarHBondContact O-N 3.12Å; S235-W238 PolarHBondContact O-N 2.77Å; S235-W238 VanDerWaalsContact O-N 3.15Å; S235-Y239 PolarHBondContact O-N 3.31Å
236E91.8Very high94.9Very high46 Ų4645.2 Ų45.222%0.21527%0.265CS..Hα-helixtrans-62.2-39.2175.5-71.1-73.7-167.500113.1R217 L221 P232 W238 Y239 A240R217-E236 IonicContact CZ-OE1 3.45Å; R217-E236 IonicContact CZ-OE2 3.27Å; R217-E236 IonicContact NE-OE2 3.2Å; R217-E236 IonicContact NH1-OE1 2.59Å; R217-E236 IonicContact NH2-OE1 3.51Å; R217-E236 PolarHBondContact NH2-OE1 3.33Å; R217-E236 IonicContact NH2-OE2 2.76Å; R217-E236 PolarHBondContact NH2-OE2 2.89Å; L221-E236 WeakPolarHBondContact CD1-OE1 3.49Å; L221-E236 HydrophobicContact CD2-CG 3.98Å; P232-E236 WeakPolarHBondContact O-CB 3.28Å; P232-E236 WeakPolarHBondContact O-CG 3.35Å; P232-E236 PolarHBondContact O-N 2.61Å; E236-W238 VanDerWaalsContact C-N 3.31Å; E236-W238 PolarHBondContact O-N 2.98Å; E236-Y239 PolarHBondContact O-N 2.75Å; E236-A240 VanDerWaalsContact O-CB 3.3Å; E236-A240 WeakPolarHBondContact O-CB 3.23Å; E236-A240 PolarHBondContact O-N 3.29Å
237Q93.9Very high95Very high92 Ų9247.8 Ų47.843%0.4327%0.274SS..Hα-helixtrans-62.2-39.2175.2-74.3172.3500112.1V233 K234 S235 Q241V233-Q237 VanDerWaalsContact O-CG 3.32Å; V233-Q237 WeakPolarHBondContact O-CG 3.39Å; V233-Q237 PolarHBondContact O-N 3.05Å; K234-Q237 WeakPolarHBondContact O-CB 3.37Å; K234-Q237 PolarHBondContact O-N 2.9Å; S235-Q237 PolarHBondContact O-N 3.12Å; Q237-Q241 VanDerWaalsContact O-CG 3.26Å; Q237-Q241 WeakPolarHBondContact O-CG 3.3Å; Q237-Q241 PolarHBondContact O-N 3.36Å; Q237-Q241 PolarHBondContact O-NE2 3.48Å
238W96.9Very high95Very high2 Ų248.8 Ų48.81%0.00828%0.28CS..Hα-helixtrans-70.7-42.1176.5-73.2-22.3000112.2F224 I227 V230 K234 S235 E236 A240 Q241 G242 F243 I249 A253 L255F224-W238 HydrophobicContact CB-CE3 4.17Å; F224-W238 HydrophobicContact CD2-CB 4.01Å; F224-W238 HydrophobicContact CD2-CE3 4.32Å; F224-W238 HydrophobicContact CE2-CB 3.92Å; F224-W238 HydrophobicContact CG-CE3 4.16Å; I227-W238 HydrophobicContact CD1-CZ3 4.05Å; V230-W238 HydrophobicContact CB-CH2 4.39Å; V230-W238 HydrophobicContact CB-CZ3 4.14Å; V230-W238 HydrophobicContact CG1-CE3 4.04Å; V230-W238 HydrophobicContact CG1-CH2 4.08Å; V230-W238 HydrophobicContact CG1-CZ3 3.52Å; V230-W238 HydrophobicContact CG2-CH2 3.37Å; V230-W238 HydrophobicContact CG2-CZ3 3.5Å; K234-W238 HydrophobicContact CD-CZ2 4.42Å; K234-W238 HydrophobicContact CG-CD2 4.34Å; K234-W238 HydrophobicContact CG-CH2 4.37Å; K234-W238 HydrophobicContact CG-CZ2 3.98Å; K234-W238 PolarHBondContact O-N 3.25Å; S235-W238 PolarHBondContact O-N 2.77Å; S235-W238 VanDerWaalsContact O-N 3.15Å; E236-W238 VanDerWaalsContact C-N 3.31Å; E236-W238 PolarHBondContact O-N 2.98Å; W238-A240 VanDerWaalsContact C-N 3.32Å; W238-A240 PolarHBondContact O-N 3.06Å; W238-Q241 WeakPolarHBondContact O-CB 3.46Å; W238-Q241 PolarHBondContact O-N 3.42Å; W238-Q241 VanDerWaalsContact O-N 3.08Å; W238-G242 PolarHBondContact O-N 2.76Å; W238-F243 HydrophobicContact CB-CB 4.43Å; W238-F243 HydrophobicContact CB-CD2 3.77Å; W238-F243 AromaticContact CD1-CD2 3.85Å; W238-F243 AromaticContact CD1-CE2 3.88Å; W238-F243 AromaticContact CG-CD2 3.92Å; W238-F243 HydrophobicContact CG-CD2 3.92Å; W238-F243 HydrophobicContact CG-CE2 4.4Å; W238-F243 WeakPolarHBondContact O-CB 3.39Å; W238-F243 PolarHBondContact O-N 2.74Å; W238-F243 VanDerWaalsContact O-N 3.14Å; W238-I249 HydrophobicContact CB-CD1 4.06Å; W238-I249 HydrophobicContact CD2-CD1 3.65Å; W238-I249 HydrophobicContact CE3-CD1 3.55Å; W238-I249 HydrophobicContact CE3-CG1 4.14Å; W238-I249 HydrophobicContact CE3-CG2 4.38Å; W238-I249 HydrophobicContact CG-CD1 3.89Å; W238-I249 HydrophobicContact CH2-CG2 3.78Å; W238-I249 HydrophobicContact CZ2-CG2 4.21Å; W238-I249 HydrophobicContact CZ3-CD1 4.13Å; W238-I249 HydrophobicContact CZ3-CG1 4.29Å; W238-I249 HydrophobicContact CZ3-CG2 3.87Å; W238-A253 HydrophobicContact CZ2-CB 4.19Å; W238-L255 HydrophobicContact CH2-CD2 3.68Å; W238-L255 HydrophobicContact CZ2-CD2 3.4Å
239Y94.4Very high95.1Very high42 Ų4246.2 Ų46.217%0.16527%0.27CS..Hα-helixtrans-58.8-44.7174.1-172.5-91.3000111.7R217 V220 L221 S235 E236 Q241 G242 R244R217-Y239 HydrophobicContact CB-CE1 4.33Å; R217-Y239 HydrophobicContact CB-CE2 4.12Å; R217-Y239 HydrophobicContact CG-CD1 4.25Å; R217-Y239 HydrophobicContact CG-CD2 4.47Å; R217-Y239 HydrophobicContact CG-CE1 3.78Å; R217-Y239 HydrophobicContact CG-CE2 4.02Å; V220-Y239 HydrophobicContact CB-CD2 3.9Å; V220-Y239 HydrophobicContact CB-CE2 3.96Å; V220-Y239 HydrophobicContact CG1-CD2 3.58Å; V220-Y239 HydrophobicContact CG1-CE2 4.06Å; V220-Y239 HydrophobicContact CG2-CE2 4.28Å; L221-Y239 HydrophobicContact CD2-CG 4.38Å; S235-Y239 PolarHBondContact O-N 3.31Å; E236-Y239 PolarHBondContact O-N 2.75Å; Y239-Q241 PolarHBondContact O-N 3.08Å; Y239-G242 PolarHBondContact O-N 3.03Å; Y239-R244 VanDerWaalsContact CE2-CZ 3.44Å; Y239-R244 PolarHBondContact O-NH1 2.63Å
240A94.5Very high95.2Very high87 Ų8750.6 Ų50.672%0.71928%0.275SS*.Hα-helixtrans-65.3-23.7176.400000113.6E236 W238 G242E236-A240 VanDerWaalsContact O-CB 3.3Å; E236-A240 WeakPolarHBondContact O-CB 3.23Å; E236-A240 PolarHBondContact O-N 3.29Å; W238-A240 VanDerWaalsContact C-N 3.32Å; W238-A240 PolarHBondContact O-N 3.06Å; A240-G242 PolarHBondContact O-N 2.99Å
241Q94.7Very high95.1Very high114 Ų11456.4 Ų56.453%0.53330%0.301SS..THydrogen-bonded Turntrans-80.11171.9-73.8166.440.800113.1Q237 W238 Y239 F243Q237-Q241 VanDerWaalsContact O-CG 3.26Å; Q237-Q241 WeakPolarHBondContact O-CG 3.3Å; Q237-Q241 PolarHBondContact O-N 3.36Å; Q237-Q241 PolarHBondContact O-NE2 3.48Å; W238-Q241 WeakPolarHBondContact O-CB 3.46Å; W238-Q241 PolarHBondContact O-N 3.42Å; W238-Q241 VanDerWaalsContact O-N 3.08Å; Y239-Q241 PolarHBondContact O-N 3.08Å; Q241-F243 HydrophobicContact CB-CD2 4.37Å; Q241-F243 HydrophobicContact CB-CE1 4.34Å; Q241-F243 HydrophobicContact CB-CE2 4.16Å; Q241-F243 HydrophobicContact CB-CZ 4.14Å
242G95Very high95.3Very high44 Ų4460.8 Ų60.845%0.45431%0.311SS..THydrogen-bonded Turntrans86.55.9-18000000114.2W238 Y239 A240 R244W238-G242 PolarHBondContact O-N 2.76Å; Y239-G242 PolarHBondContact O-N 3.03Å; A240-G242 PolarHBondContact O-N 2.99Å; G242-R244 VanDerWaalsContact C-NH1 3.33Å
243F96.9Very high95.5Very high19 Ų1960.2 Ų60.28%0.08331%0.309CS..  trans-71.9138.1175.8-55.3-22.5000109.8F224 W238 Q241 D248 I249 K252 A253F224-F243 HydrophobicContact CE2-CB 4.2Å; F224-F243 HydrophobicContact CZ-CB 3.81Å; F224-F243 WeakPolarHBondContact CZ-O 3.23Å; W238-F243 HydrophobicContact CB-CB 4.43Å; W238-F243 HydrophobicContact CB-CD2 3.77Å; W238-F243 AromaticContact CD1-CD2 3.85Å; W238-F243 AromaticContact CD1-CE2 3.88Å; W238-F243 AromaticContact CG-CD2 3.92Å; W238-F243 HydrophobicContact CG-CD2 3.92Å; W238-F243 HydrophobicContact CG-CE2 4.4Å; W238-F243 WeakPolarHBondContact O-CB 3.39Å; W238-F243 PolarHBondContact O-N 2.74Å; W238-F243 VanDerWaalsContact O-N 3.14Å; Q241-F243 HydrophobicContact CB-CD2 4.37Å; Q241-F243 HydrophobicContact CB-CE1 4.34Å; Q241-F243 HydrophobicContact CB-CE2 4.16Å; Q241-F243 HydrophobicContact CB-CZ 4.14Å; F243-D248 HydrophobicContact CB-CB 3.76Å; F243-D248 HydrophobicContact CD1-CB 3.91Å; F243-D248 HydrophobicContact CG-CB 3.93Å; F243-I249 HydrophobicContact CB-CD1 3.91Å; F243-I249 HydrophobicContact CD2-CD1 3.59Å; F243-I249 HydrophobicContact CG-CD1 4.09Å; F243-K252 HydrophobicContact CD1-CB 4.49Å; F243-K252 HydrophobicContact CD1-CD 4.26Å; F243-K252 HydrophobicContact CE1-CB 3.62Å; F243-K252 HydrophobicContact CE1-CD 3.84Å; F243-K252 HydrophobicContact CE1-CG 4.37Å; F243-K252 HydrophobicContact CZ-CB 3.65Å; F243-A253 HydrophobicContact CD2-CB 4.41Å; F243-A253 HydrophobicContact CE2-CB 3.88Å
244R97.1Very high95.6Very high81 Ų8165.3 Ų65.331%0.30632%0.324SS..  trans-128.7-21.1178.5-62.8-66177.7-87.31.7113.3E216 V220 Y239 G242 D248E216-R244 IonicContact OE1-NE 2.85Å; V220-R244 HydrophobicContact CG2-CB 4.48Å; Y239-R244 VanDerWaalsContact CE2-CZ 3.44Å; Y239-R244 PolarHBondContact O-NH1 2.63Å; G242-R244 VanDerWaalsContact C-NH1 3.33Å; R244-D248 PolarHBondContact N-OD2 3.41Å
245T97.8Very high95.7Very high65 Ų6564.2 Ų64.240%0.39932%0.321SS..SBendtrans-123.2160.8-172.566.40000112E247 D248 I249T245-E247 PolarHBondContact O-N 2.72Å; T245-E247 PolarHBondContact OG1-N 3.43Å; T245-D248 PolarHBondContact N-OD2 2.99Å; T245-D248 WeakPolarHBondContact O-CB 3.5Å; T245-D248 PolarHBondContact O-N 2.77Å; T245-D248 VanDerWaalsContact OG1-CG 3.27Å; T245-D248 PolarHBondContact OG1-N 3.24Å; T245-D248 VanDerWaalsContact OG1-N 3.11Å; T245-D248 PolarHBondContact OG1-OD2 3.14Å; T245-I249 PolarHBondContact O-N 2.8Å
246L97.5Very high95.8Very high27 Ų2767.5 Ų67.514%0.14134%0.34CS..Hα-helixtrans-61.2-27.6170.6-64.2177.9000112L223 I227 I249 R250 L263L223-L246 HydrophobicContact CD1-CD1 4.02Å; L223-L246 HydrophobicContact CD1-CD2 4.02Å; L223-L246 HydrophobicContact CD1-CG 3.87Å; L223-L246 HydrophobicContact CD2-CG 4.31Å; L223-L246 HydrophobicContact CG-CD2 4.01Å; L223-L246 HydrophobicContact CG-CG 4.09Å; I227-L246 HydrophobicContact CD1-CD2 3.78Å; I227-L246 HydrophobicContact CG1-CD2 4.01Å; L246-I249 WeakPolarHBondContact O-CB 3.31Å; L246-I249 PolarHBondContact O-N 3.33Å; L246-R250 WeakPolarHBondContact O-CG 3.29Å; L246-R250 PolarHBondContact O-N 2.99Å; L246-L263 HydrophobicContact CD2-CD1 4.37Å
247E97.5Very high96Very high81 Ų8170.5 Ų70.538%0.37935%0.354SS..Hα-helixtrans-70.6-37.9178.2-164.255.1-149.900112.2T245 I249 R250 Q251T245-E247 PolarHBondContact O-N 2.72Å; T245-E247 PolarHBondContact OG1-N 3.43Å; E247-I249 PolarHBondContact O-N 2.85Å; E247-R250 PolarHBondContact O-N 3.47Å; E247-R250 IonicContact OE2-NH1 3.69Å; E247-R250 PolarHBondContact OE2-NH1 3.45Å; E247-R250 VanDerWaalsContact OE2-NH1 3.13Å; E247-Q251 HydrophobicContact CG-CG 4.4Å; E247-Q251 WeakPolarHBondContact O-CG 3.39Å; E247-Q251 PolarHBondContact O-N 3.44Å; E247-Q251 WeakPolarHBondContact OE1-CG 3.45Å; E247-Q251 PolarHBondContact OE1-NE2 3.46Å
248D97.8Very high96.1Very high23 Ų2369.9 Ų69.912%0.12335%0.352CS..Hα-helixtrans-56.3-40.1169.2-66-51.8000111.1F243 R244 T245 K252 A253F243-D248 HydrophobicContact CB-CB 3.76Å; F243-D248 HydrophobicContact CD1-CB 3.91Å; F243-D248 HydrophobicContact CG-CB 3.93Å; R244-D248 PolarHBondContact N-OD2 3.41Å; T245-D248 PolarHBondContact N-OD2 2.99Å; T245-D248 WeakPolarHBondContact O-CB 3.5Å; T245-D248 PolarHBondContact O-N 2.77Å; T245-D248 VanDerWaalsContact OG1-CG 3.27Å; T245-D248 PolarHBondContact OG1-N 3.24Å; T245-D248 VanDerWaalsContact OG1-N 3.11Å; T245-D248 PolarHBondContact OG1-OD2 3.14Å; D248-K252 HydrophobicContact CB-CD 4.5Å; D248-K252 WeakPolarHBondContact O-CA 3.5Å; D248-K252 VanDerWaalsContact O-CB 3.26Å; D248-K252 WeakPolarHBondContact O-CB 3.33Å; D248-K252 PolarHBondContact O-N 3.35Å; D248-K252 IonicContact OD1-NZ 2.71Å; D248-K252 PolarHBondContact OD1-NZ 3Å; D248-A253 PolarHBondContact O-N 3.48Å
249I97.9Very high96.1Very high0 Ų070.5 Ų70.50%035%0.354CS..Hα-helixtrans-68.5-42.3178.9-54-48.8000111.2F224 I227 W238 F243 T245 L246 E247 Q251 A253 L255 L263F224-I249 HydrophobicContact CD1-CD1 4.22Å; F224-I249 HydrophobicContact CD1-CG1 3.95Å; F224-I249 HydrophobicContact CE1-CD1 3.86Å; F224-I249 HydrophobicContact CE1-CG1 3.73Å; F224-I249 HydrophobicContact CE2-CD1 4.44Å; F224-I249 HydrophobicContact CZ-CD1 3.97Å; F224-I249 HydrophobicContact CZ-CG1 4.34Å; I227-I249 HydrophobicContact CD1-CG1 4.49Å; I227-I249 HydrophobicContact CD1-CG2 4.11Å; W238-I249 HydrophobicContact CB-CD1 4.06Å; W238-I249 HydrophobicContact CD2-CD1 3.65Å; W238-I249 HydrophobicContact CE3-CD1 3.55Å; W238-I249 HydrophobicContact CE3-CG1 4.14Å; W238-I249 HydrophobicContact CE3-CG2 4.38Å; W238-I249 HydrophobicContact CG-CD1 3.89Å; W238-I249 HydrophobicContact CH2-CG2 3.78Å; W238-I249 HydrophobicContact CZ2-CG2 4.21Å; W238-I249 HydrophobicContact CZ3-CD1 4.13Å; W238-I249 HydrophobicContact CZ3-CG1 4.29Å; W238-I249 HydrophobicContact CZ3-CG2 3.87Å; F243-I249 HydrophobicContact CB-CD1 3.91Å; F243-I249 HydrophobicContact CD2-CD1 3.59Å; F243-I249 HydrophobicContact CG-CD1 4.09Å; T245-I249 PolarHBondContact O-N 2.8Å; L246-I249 WeakPolarHBondContact O-CB 3.31Å; L246-I249 PolarHBondContact O-N 3.33Å; E247-I249 PolarHBondContact O-N 2.85Å; I249-Q251 PolarHBondContact O-N 2.84Å; I249-A253 HydrophobicContact CB-CB 4.41Å; I249-A253 HydrophobicContact CD1-CB 4.28Å; I249-A253 HydrophobicContact CG2-CB 3.95Å; I249-A253 WeakPolarHBondContact O-CB 3.4Å; I249-A253 PolarHBondContact O-N 3.19Å; I249-L255 HydrophobicContact CG2-CD1 4.39Å; I249-L255 HydrophobicContact CG2-CD2 3.75Å; I249-L263 HydrophobicContact CG2-CD2 4.02Å
250R96.5Very high96.2Very high128 Ų12874.6 Ų74.648%0.48337%0.373SS..Hα-helixtrans-62.3-42177.4-72-175.1-171.1113.50.7112.5L246 E247 L263L246-R250 WeakPolarHBondContact O-CG 3.29Å; L246-R250 PolarHBondContact O-N 2.99Å; E247-R250 PolarHBondContact O-N 3.47Å; E247-R250 IonicContact OE2-NH1 3.69Å; E247-R250 PolarHBondContact OE2-NH1 3.45Å; E247-R250 VanDerWaalsContact OE2-NH1 3.13Å; R250-L263 HydrophobicContact CB-CD2 4.49Å; R250-L263 HydrophobicContact CG-CD2 3.58Å; R250-L263 HydrophobicContact CG-CG 4.19Å
251Q95.6Very high96.4Very high134 Ų13470.6 Ų70.663%0.62634%0.34SS*.Hα-helixtrans-90.7-38.3-171.1-63.9-178.12.100113.7E247 I249E247-Q251 HydrophobicContact CG-CG 4.4Å; E247-Q251 WeakPolarHBondContact O-CG 3.39Å; E247-Q251 PolarHBondContact O-N 3.44Å; E247-Q251 WeakPolarHBondContact OE1-CG 3.45Å; E247-Q251 PolarHBondContact OE1-NE2 3.46Å; I249-Q251 PolarHBondContact O-N 2.84Å
252K95.7Very high96.5Very high125 Ų12565.2 Ų65.254%0.54331%0.314SS..Hα-helixtrans-113.5-27.2-165-54.8169.9-173.9161.70113.3F243 D248F243-K252 HydrophobicContact CD1-CB 4.49Å; F243-K252 HydrophobicContact CD1-CD 4.26Å; F243-K252 HydrophobicContact CE1-CB 3.62Å; F243-K252 HydrophobicContact CE1-CD 3.84Å; F243-K252 HydrophobicContact CE1-CG 4.37Å; F243-K252 HydrophobicContact CZ-CB 3.65Å; D248-K252 HydrophobicContact CB-CD 4.5Å; D248-K252 WeakPolarHBondContact O-CA 3.5Å; D248-K252 VanDerWaalsContact O-CB 3.26Å; D248-K252 WeakPolarHBondContact O-CB 3.33Å; D248-K252 PolarHBondContact O-N 3.35Å; D248-K252 IonicContact OD1-NZ 2.71Å; D248-K252 PolarHBondContact OD1-NZ 3Å
253A95Very high96.7Very high15 Ų1563.7 Ų63.712%0.12430%0.296CS..  trans-79.7137.7-174.100000112.7W238 F243 D248 I249 L255W238-A253 HydrophobicContact CZ2-CB 4.19Å; F243-A253 HydrophobicContact CD2-CB 4.41Å; F243-A253 HydrophobicContact CE2-CB 3.88Å; D248-A253 PolarHBondContact O-N 3.48Å; I249-A253 HydrophobicContact CB-CB 4.41Å; I249-A253 HydrophobicContact CD1-CB 4.28Å; I249-A253 HydrophobicContact CG2-CB 3.95Å; I249-A253 WeakPolarHBondContact O-CB 3.4Å; I249-A253 PolarHBondContact O-N 3.19Å; A253-L255 HydrophobicContact CB-CD2 3.85Å; A253-L255 HydrophobicContact CB-CG 4.49Å; A253-L255 PolarHBondContact O-N 2.74Å
254K94.3Very high96.7Very high193 Ų19368.8 Ų68.884%0.83932%0.318SS*.  trans-78.6102.7167.7-173.3175.4-178.7174.40110.2
255L96.1Very high96.8Very high31 Ų3165.6 Ų65.616%0.16231%0.306CS..  trans-94.1139.8-176.7-55.9-175.4000113W238 I249 A253 Q259 K260 L263W238-L255 HydrophobicContact CH2-CD2 3.68Å; W238-L255 HydrophobicContact CZ2-CD2 3.4Å; I249-L255 HydrophobicContact CG2-CD1 4.39Å; I249-L255 HydrophobicContact CG2-CD2 3.75Å; A253-L255 HydrophobicContact CB-CD2 3.85Å; A253-L255 HydrophobicContact CB-CG 4.49Å; A253-L255 PolarHBondContact O-N 2.74Å; L255-Q259 HydrophobicContact CB-CB 4.1Å; L255-Q259 HydrophobicContact CD2-CB 4.25Å; L255-K260 HydrophobicContact CB-CG 3.65Å; L255-K260 HydrophobicContact CD1-CG 4.06Å; L255-K260 HydrophobicContact CG-CG 4.49Å; L255-L263 HydrophobicContact CD1-CD2 3.67Å
256T95.9Very high96.7Very high68 Ų6864.3 Ų64.342%0.41729%0.294SS..  trans-69.7163.1163.268.40000110.3Q258 Q259 K260T256-Q258 VanDerWaalsContact C-N 3.29Å; T256-Q258 PolarHBondContact O-N 3.45Å; T256-Q259 VanDerWaalsContact N-OE1 3.08Å; T256-Q259 PolarHBondContact O-N 3.27Å; T256-Q259 VanDerWaalsContact O-N 3.12Å; T256-Q259 VanDerWaalsContact OG1-CG 3.27Å; T256-Q259 WeakPolarHBondContact OG1-CG 3.29Å; T256-Q259 PolarHBondContact OG1-N 2.95Å; T256-Q259 PolarHBondContact OG1-OE1 3.46Å; T256-K260 WeakPolarHBondContact O-CG 3.16Å; T256-K260 PolarHBondContact O-N 3.31Å
257H95Very high96.8Very high110 Ų11067.4 Ų67.451%0.50931%0.311SS..Hα-helixtrans-55.2-46.7176.1177.955000111.9Q259 K260 V261 H346H257-Q259 VanDerWaalsContact C-N 3.32Å; H257-Q259 PolarHBondContact O-N 3.39Å; H257-K260 WeakPolarHBondContact O-CB 3.19Å; H257-K260 PolarHBondContact O-N 3.11Å; H257-K260 VanDerWaalsContact O-N 3.1Å; H257-V261 PolarHBondContact O-N 2.83Å; H257-H346 PolarHBondContact CD2-O 3.31Å; H257-H346 PolarHBondContact NE2-O 2.98Å
258Q95.7Very high96.8Very high79 Ų7965.6 Ų65.637%0.36930%0.302SS..Hα-helixtrans-53.7-44.5174.2-76.2179.9-22.300113.2W228 T256 V261 G262 L347W228-Q258 HydrophobicContact CE3-CB 4.49Å; W228-Q258 HydrophobicContact CH2-CG 4.45Å; W228-Q258 HydrophobicContact CZ3-CB 3.77Å; W228-Q258 HydrophobicContact CZ3-CG 3.91Å; T256-Q258 VanDerWaalsContact C-N 3.29Å; T256-Q258 PolarHBondContact O-N 3.45Å; Q258-V261 PolarHBondContact O-N 2.99Å; Q258-G262 PolarHBondContact O-N 3.02Å; Q258-L347 WeakPolarHBondContact CG-O 3.43Å; Q258-L347 PolarHBondContact NE2-O 3.28Å
259Q96.9Very high96.8Very high15 Ų1565.9 Ų65.97%0.0730%0.302CS..Hα-helixtrans-70.3-32.5178.9-70.7166.2-10.900112.5G229 V230 L255 T256 H257 L263G229-Q259 WeakPolarHBondContact O-CG 3.22Å; G229-Q259 PolarHBondContact O-NE2 3.47Å; G229-Q259 VanDerWaalsContact O-NE2 3.1Å; V230-Q259 HydrophobicContact CG2-CG 3.89Å; L255-Q259 HydrophobicContact CB-CB 4.1Å; L255-Q259 HydrophobicContact CD2-CB 4.25Å; T256-Q259 VanDerWaalsContact N-OE1 3.08Å; T256-Q259 PolarHBondContact O-N 3.27Å; T256-Q259 VanDerWaalsContact O-N 3.12Å; T256-Q259 VanDerWaalsContact OG1-CG 3.27Å; T256-Q259 WeakPolarHBondContact OG1-CG 3.29Å; T256-Q259 PolarHBondContact OG1-N 2.95Å; T256-Q259 PolarHBondContact OG1-OE1 3.46Å; H257-Q259 VanDerWaalsContact C-N 3.32Å; H257-Q259 PolarHBondContact O-N 3.39Å; Q259-L263 VanDerWaalsContact O-CB 3.23Å; Q259-L263 WeakPolarHBondContact O-CB 3.38Å; Q259-L263 PolarHBondContact O-N 2.67Å
260K97.6Very high96.7Very high127 Ų12770.3 Ų70.355%0.55233%0.326SS*.Hα-helixtrans-64.4-47.3173.5-69.3-179.8178.7-172.10111L255 T256 H257 L263 K264L255-K260 HydrophobicContact CB-CG 3.65Å; L255-K260 HydrophobicContact CD1-CG 4.06Å; L255-K260 HydrophobicContact CG-CG 4.49Å; T256-K260 WeakPolarHBondContact O-CG 3.16Å; T256-K260 PolarHBondContact O-N 3.31Å; H257-K260 WeakPolarHBondContact O-CB 3.19Å; H257-K260 PolarHBondContact O-N 3.11Å; H257-K260 VanDerWaalsContact O-N 3.1Å; K260-L263 PolarHBondContact O-N 3.37Å; K260-K264 WeakPolarHBondContact O-CB 3.42Å; K260-K264 PolarHBondContact O-N 3.31Å
261V97.8Very high96.8Very high4 Ų469.6 Ų69.62%0.02433%0.326CS..Hα-helixtrans-63.6-45176.5179.60000110.4H257 Q258 L263 K264 Y265 D345 L347 V360H257-V261 PolarHBondContact O-N 2.83Å; Q258-V261 PolarHBondContact O-N 2.99Å; V261-L263 VanDerWaalsContact C-N 3.27Å; V261-L263 PolarHBondContact O-N 3.02Å; V261-K264 WeakPolarHBondContact O-CB 3.38Å; V261-K264 PolarHBondContact O-N 3.44Å; V261-Y265 HydrophobicContact CG1-CD2 3.82Å; V261-Y265 HydrophobicContact CG1-CE2 4.1Å; V261-Y265 PolarHBondContact O-N 3.49Å; V261-D345 HydrophobicContact CG1-CB 3.83Å; V261-D345 HydrophobicContact CG2-CB 4.2Å; V261-L347 HydrophobicContact CB-CD2 3.7Å; V261-L347 HydrophobicContact CG1-CD2 3.58Å; V261-L347 HydrophobicContact CG2-CD2 4.25Å; V261-V360 HydrophobicContact CG1-CG2 3.68Å
262G97.5Very high96.8Very high0 Ų068.1 Ų68.10%032%0.322CS..Hα-helixtrans-61.7-31.3176.300000114.2Q258 R266Q258-G262 PolarHBondContact O-N 3.02Å; G262-R266 VanDerWaalsContact O-CA 3.29Å; G262-R266 WeakPolarHBondContact O-CA 3.37Å; G262-R266 WeakPolarHBondContact O-CB 3.5Å; G262-R266 PolarHBondContact O-N 3.22Å
263L97.9Very high97Very high13 Ų1362.2 Ų62.27%0.06830%0.297CS..Hα-helixtrans-79.9-34.5174.6-177.358.6000112.2I227 L246 I249 R250 L255 Q259 K260 V261I227-L263 HydrophobicContact CD1-CD1 3.88Å; I227-L263 HydrophobicContact CG1-CD1 4.05Å; I227-L263 HydrophobicContact CG2-CB 4.01Å; L246-L263 HydrophobicContact CD2-CD1 4.37Å; I249-L263 HydrophobicContact CG2-CD2 4.02Å; R250-L263 HydrophobicContact CB-CD2 4.49Å; R250-L263 HydrophobicContact CG-CD2 3.58Å; R250-L263 HydrophobicContact CG-CG 4.19Å; L255-L263 HydrophobicContact CD1-CD2 3.67Å; Q259-L263 VanDerWaalsContact O-CB 3.23Å; Q259-L263 WeakPolarHBondContact O-CB 3.38Å; Q259-L263 PolarHBondContact O-N 2.67Å; K260-L263 PolarHBondContact O-N 3.37Å; V261-L263 VanDerWaalsContact C-N 3.27Å; V261-L263 PolarHBondContact O-N 3.02Å
264K98Very high97.1Very high125 Ų12564 Ų6454%0.54331%0.307SS..Hα-helixtrans-62.3-45.1176.7-179.3-175.3174.6-165.60111.4K260 V261 D345K260-K264 WeakPolarHBondContact O-CB 3.42Å; K260-K264 PolarHBondContact O-N 3.31Å; V261-K264 WeakPolarHBondContact O-CB 3.38Å; V261-K264 PolarHBondContact O-N 3.44Å; K264-D345 IonicContact NZ-OD2 3.08Å; K264-D345 PolarHBondContact NZ-OD2 3.23Å
265Y98.1Very high97.3Very high14 Ų1458.6 Ų58.66%0.05528%0.282CS..SBendtrans-108.617.9-175.6-59.2-60000114.3V261 D267 E268 F269 D345 V360 H370V261-Y265 HydrophobicContact CG1-CD2 3.82Å; V261-Y265 HydrophobicContact CG1-CE2 4.1Å; V261-Y265 PolarHBondContact O-N 3.49Å; Y265-D267 VanDerWaalsContact C-N 3.32Å; Y265-D267 PolarHBondContact O-N 3.35Å; Y265-E268 PolarHBondContact O-N 3.41Å; Y265-E268 VanDerWaalsContact O-N 3.08Å; Y265-F269 HydrophobicContact CD2-CE1 4.43Å; Y265-F269 AromaticContact CD2-CZ 3.99Å; Y265-F269 HydrophobicContact CD2-CZ 3.99Å; Y265-F269 HydrophobicContact CG-CE1 4.27Å; Y265-F269 HydrophobicContact CG-CZ 4.19Å; Y265-F269 WeakPolarHBondContact O-CG 3.37Å; Y265-F269 PolarHBondContact O-N 3.05Å; Y265-D345 HydrophobicContact CE2-CB 4.06Å; Y265-D345 WeakPolarHBondContact CE2-OD2 3.42Å; Y265-D345 PolarHBondContact OH-OD2 3.32Å; Y265-V360 HydrophobicContact CD2-CG1 4.16Å; Y265-V360 HydrophobicContact CD2-CG2 4.35Å; Y265-V360 HydrophobicContact CE2-CG1 4.1Å; Y265-V360 HydrophobicContact CE2-CG2 4.44Å; Y265-H370 HydrophobicContact CD1-CB 3.75Å; Y265-H370 AromaticContact CD1-CD2 3.94Å; Y265-H370 AromaticContact CD1-CG 3.53Å; Y265-H370 AromaticContact CD1-ND1 3.71Å; Y265-H370 HydrophobicContact CE1-CB 4.01Å; Y265-H370 AromaticContact CE1-CD2 3.25Å; Y265-H370 WeakPolarHBondContact CE1-CD2 3.33Å; Y265-H370 AromaticContact CE1-CE1 3.48Å; Y265-H370 VanDerWaalsContact CE1-CE1 3.48Å; Y265-H370 WeakPolarHBondContact CE1-CE1 3.48Å; Y265-H370 AromaticContact CE1-CG 3.3Å; Y265-H370 AromaticContact CE1-ND1 3.43Å; Y265-H370 WeakPolarHBondContact CE1-ND1 3.42Å; Y265-H370 AromaticContact CE1-NE2 3.36Å; Y265-H370 WeakPolarHBondContact CE1-NE2 3.43Å; Y265-H370 HydrophobicContact CG-CB 4.07Å; Y265-H370 AromaticContact CZ-CD2 3.34Å; Y265-H370 AromaticContact CZ-CG 3.83Å; Y265-H370 AromaticContact CZ-NE2 3.58Å; Y265-H370 PolarHBondContact OH-CD2 2.97Å; Y265-H370 VanDerWaalsContact OH-CD2 3.32Å; Y265-H370 PolarHBondContact OH-NE2 3.26Å
266R97.7Very high97.4Very high38 Ų3864.9 Ų64.914%0.14331%0.308CS..Hα-helixtrans-47.7-53.7-174.6179.3-169.2170.8-87.1-4.5112.3S226 G262 E268 F269 L270S226-R266 PolarHBondContact OG-NE 3.15Å; S226-R266 PolarHBondContact OG-NH2 3.3Å; G262-R266 VanDerWaalsContact O-CA 3.29Å; G262-R266 WeakPolarHBondContact O-CA 3.37Å; G262-R266 WeakPolarHBondContact O-CB 3.5Å; G262-R266 PolarHBondContact O-N 3.22Å; R266-E268 PolarHBondContact O-N 3.22Å; R266-F269 PolarHBondContact O-N 3.08Å; R266-L270 HydrophobicContact CG-CD1 4.14Å; R266-L270 WeakPolarHBondContact O-CG 3.07Å; R266-L270 PolarHBondContact O-N 3.14Å; R266-L270 VanDerWaalsContact O-N 3.09Å
267D97.7Very high97.5Very high93 Ų9363 Ų6350%0.49729%0.294SS..Hα-helixtrans-70.5-22.2-172.1-57.4-25.4000112.4Y265Y265-D267 VanDerWaalsContact C-N 3.32Å; Y265-D267 PolarHBondContact O-N 3.35Å
268E98.2Very high97.7Very high43 Ų4357.8 Ų57.820%0.20127%0.27CS..Hα-helixtrans-83.8-39174.3-58-175.8-126.300111.3Y265 R266 L270 K271 L369 H370Y265-E268 PolarHBondContact O-N 3.41Å; Y265-E268 VanDerWaalsContact O-N 3.08Å; R266-E268 PolarHBondContact O-N 3.22Å; E268-L270 VanDerWaalsContact C-N 3.27Å; E268-L270 PolarHBondContact O-N 3.18Å; E268-K271 PolarHBondContact O-N 3.32Å; E268-K271 VanDerWaalsContact O-N 3.16Å; E268-L369 HydrophobicContact CG-CD2 4.19Å; E268-L369 VanDerWaalsContact OE2-CA 3.31Å; E268-L369 WeakPolarHBondContact OE2-CA 3.5Å; E268-H370 IonicContact OE1-ND1 3.77Å; E268-H370 PolarHBondContact OE1-ND1 3.42Å; E268-H370 WeakPolarHBondContact OE2-CB 3.19Å; E268-H370 IonicContact OE2-CG 2.73Å; E268-H370 PolarHBondContact OE2-N 3.29Å; E268-H370 IonicContact OE2-ND1 3.13Å; E268-H370 PolarHBondContact OE2-ND1 3.35Å
269F97.9Very high97.9Very high28 Ų2855.7 Ų55.712%0.12327%0.266CS..Hα-helixtrans-69.2-22.4177.5-70.6-3.5000113.9W228 Y265 R266 K271 V360 H370 R372W228-F269 HydrophobicContact CB-CD2 3.84Å; W228-F269 HydrophobicContact CB-CE2 4.28Å; W228-F269 HydrophobicContact CG-CD2 4.33Å; Y265-F269 HydrophobicContact CD2-CE1 4.43Å; Y265-F269 AromaticContact CD2-CZ 3.99Å; Y265-F269 HydrophobicContact CD2-CZ 3.99Å; Y265-F269 HydrophobicContact CG-CE1 4.27Å; Y265-F269 HydrophobicContact CG-CZ 4.19Å; Y265-F269 WeakPolarHBondContact O-CG 3.37Å; Y265-F269 PolarHBondContact O-N 3.05Å; R266-F269 PolarHBondContact O-N 3.08Å; F269-K271 VanDerWaalsContact C-N 3.27Å; F269-V360 HydrophobicContact CE1-CG1 4.01Å; F269-V360 HydrophobicContact CE1-CG2 4.42Å; F269-V360 HydrophobicContact CZ-CG1 4.09Å; F269-V360 HydrophobicContact CZ-CG2 3.71Å; F269-H370 HydrophobicContact CE1-CB 4.47Å; F269-R372 HydrophobicContact CD1-CG 3.74Å; F269-R372 HydrophobicContact CD2-CG 3.93Å; F269-R372 HydrophobicContact CE1-CG 3.57Å; F269-R372 HydrophobicContact CE2-CG 3.75Å; F269-R372 HydrophobicContact CG-CG 3.93Å; F269-R372 HydrophobicContact CZ-CG 3.57Å
270L95.9Very high97.9Very high93 Ų9358.7 Ų58.749%0.48728%0.28SS..THydrogen-bonded Turntrans-76.9-13.8173.8-71.6172.5000113.1R266 E268R266-L270 HydrophobicContact CG-CD1 4.14Å; R266-L270 WeakPolarHBondContact O-CG 3.07Å; R266-L270 PolarHBondContact O-N 3.14Å; R266-L270 VanDerWaalsContact O-N 3.09Å; E268-L270 VanDerWaalsContact C-N 3.27Å; E268-L270 PolarHBondContact O-N 3.18Å
271K97.5Very high98Very high114 Ų11452.9 Ų52.950%0.49626%0.255SS..SBendtrans-89.4130.7177.1-64.3174-176.1177.90109.6E268 F269 L369 R371E268-K271 PolarHBondContact O-N 3.32Å; E268-K271 VanDerWaalsContact O-N 3.16Å; F269-K271 VanDerWaalsContact C-N 3.27Å; K271-L369 HydrophobicContact CD-CD1 3.71Å; K271-R371 PolarHBondContact O-NH1 3.05Å
272D97.3Very high98Very high102 Ų10253 Ų5355%0.54526%0.256SS..  trans-59153.2170.6-72.2-38.6000112.2F310 R371D272-F310 HydrophobicContact CB-CB 3.97Å; D272-F310 HydrophobicContact CB-CD1 4.07Å; D272-F310 HydrophobicContact CB-CG 4.25Å; D272-R371 PolarHBondContact O-NH1 2.9Å; D272-R371 PolarHBondContact O-NH2 2.87Å; D272-R371 VanDerWaalsContact O-NH2 3.17Å
273I98.4Very high98.1Very high2 Ų257.2 Ų57.21%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-100.2113.5177.4-46.6173.2000107.7E277 V278 F310 S311 V314 R371I273-E277 HydrophobicContact CG2-CB 3.93Å; I273-E277 HydrophobicContact CG2-CG 4.01Å; I273-V278 HydrophobicContact CB-CG2 3.94Å; I273-V278 HydrophobicContact CG2-CG2 3.52Å; I273-F310 CarbonylContact O-C 3.53Å; I273-F310 WeakPolarHBondContact O-CA 3.36Å; I273-S311 WeakPolarHBondContact CB-O 3.43Å; I273-S311 VanDerWaalsContact CG1-O 3.32Å; I273-S311 WeakPolarHBondContact CG1-O 3.44Å; I273-S311 PolarHBondContact N-O 2.76Å; I273-S311 PolarHBondContact O-N 3.44Å; I273-V314 HydrophobicContact CD1-CG2 4.19Å; I273-R371 HydrophobicContact CD1-CB 3.84Å; I273-R371 HydrophobicContact CD1-CG 4Å; I273-R371 HydrophobicContact CG1-CG 4.18Å; I273-R371 HydrophobicContact CG2-CG 4.4Å
274P98.4Very high98.1Very high53 Ų5358.4 Ų58.434%0.34428%0.282SS..EExtended strand (participates in β ladder)trans-56.5141.7173.2-24.134.6000111.3K276 E277 V278 F310P274-K276 PolarHBondContact O-N 3.15Å; P274-K276 VanDerWaalsContact O-N 3.08Å; P274-E277 HydrophobicContact CB-CB 4.49Å; P274-E277 VanDerWaalsContact CD-OE2 3.28Å; P274-E277 WeakPolarHBondContact CD-OE2 3.45Å; P274-E277 WeakPolarHBondContact O-CA 3.49Å; P274-E277 WeakPolarHBondContact O-CB 3.26Å; P274-E277 PolarHBondContact O-N 3.14Å; P274-V278 PolarHBondContact O-N 3.42Å; P274-F310 HydrophobicContact CB-CE1 4.46Å; P274-F310 HydrophobicContact CG-CE1 4.41Å
275R98.5Very high98.1Very high79 Ų7952.6 Ų52.630%0.29826%0.257SS..Hα-helixtrans-50.5-38.2179.7-176.4179-173.973.86.2113.8V278 A279 Y304 E308 P309R275-V278 PolarHBondContact O-N 2.91Å; R275-A279 PolarHBondContact O-N 3.23Å; R275-Y304 HydrophobicContact CG-CD2 3.9Å; R275-Y304 HydrophobicContact CG-CE2 3.71Å; R275-Y304 PolarHBondContact NH1-O 3.41Å; R275-Y304 PolarHBondContact NH2-O 3.09Å; R275-E308 PolarHBondContact NH1-O 3.29Å; R275-P309 WeakPolarHBondContact CB-O 3.16Å; R275-P309 PolarHBondContact N-O 2.76Å
276K98.2Very high98.2Very high163 Ų16354.7 Ų54.771%0.70927%0.267SS*.Hα-helixtrans-61.4-43.5176.4-174.2-177.1176.2-173.30111.6P274 A279 Q280P274-K276 PolarHBondContact O-N 3.15Å; P274-K276 VanDerWaalsContact O-N 3.08Å; K276-A279 WeakPolarHBondContact O-CB 3.3Å; K276-A279 PolarHBondContact O-N 3.39Å; K276-Q280 WeakPolarHBondContact O-CG 3.32Å; K276-Q280 PolarHBondContact O-N 2.89Å; K276-Q280 PolarHBondContact O-OE1 2.9Å
277E98.5Very high98.2Very high28 Ų2857.1 Ų57.113%0.13128%0.283CS..Hα-helixtrans-66.3-42.2177.8-170.4-174162.200111I273 P274 A279 Q280 I281 L363 R371I273-E277 HydrophobicContact CG2-CB 3.93Å; I273-E277 HydrophobicContact CG2-CG 4.01Å; P274-E277 HydrophobicContact CB-CB 4.49Å; P274-E277 VanDerWaalsContact CD-OE2 3.28Å; P274-E277 WeakPolarHBondContact CD-OE2 3.45Å; P274-E277 WeakPolarHBondContact O-CA 3.49Å; P274-E277 WeakPolarHBondContact O-CB 3.26Å; P274-E277 PolarHBondContact O-N 3.14Å; E277-A279 VanDerWaalsContact C-N 3.28Å; E277-A279 PolarHBondContact O-N 3.39Å; E277-Q280 PolarHBondContact O-N 2.97Å; E277-Q280 VanDerWaalsContact O-N 3.15Å; E277-I281 HydrophobicContact CG-CD1 4.19Å; E277-I281 WeakPolarHBondContact O-CG1 3.44Å; E277-I281 PolarHBondContact O-N 3.45Å; E277-L363 HydrophobicContact CG-CD1 3.84Å; E277-R371 WeakPolarHBondContact OE1-CG 3.39Å; E277-R371 IonicContact OE1-CZ 2.7Å; E277-R371 IonicContact OE1-NE 3.87Å; E277-R371 PolarHBondContact OE1-NE 3.08Å; E277-R371 IonicContact OE1-NH2 2.87Å; E277-R371 IonicContact OE2-CZ 2.67Å; E277-R371 IonicContact OE2-NE 2.74Å; E277-R371 IonicContact OE2-NH2 3.16Å; E277-R371 PolarHBondContact OE2-NH2 2.83Å
278V98.7Very high98.2Very high1 Ų153.1 Ų53.11%0.00626%0.261CS..Hα-helixtrans-56.2-44.1173.1179.20000111.1I273 P274 R275 I281 A282 V300 Y304 V314I273-V278 HydrophobicContact CB-CG2 3.94Å; I273-V278 HydrophobicContact CG2-CG2 3.52Å; P274-V278 PolarHBondContact O-N 3.42Å; R275-V278 PolarHBondContact O-N 2.91Å; V278-I281 PolarHBondContact O-N 2.85Å; V278-A282 VanDerWaalsContact O-CB 3.24Å; V278-A282 WeakPolarHBondContact O-CB 3.42Å; V278-A282 PolarHBondContact O-N 3.25Å; V278-V300 HydrophobicContact CG1-CG1 4.15Å; V278-Y304 HydrophobicContact CB-CD2 3.78Å; V278-Y304 HydrophobicContact CB-CE2 4.25Å; V278-Y304 HydrophobicContact CG1-CD2 3.44Å; V278-Y304 VanDerWaalsContact CG1-CD2 3.44Å; V278-Y304 HydrophobicContact CG1-CE2 4.09Å; V278-Y304 HydrophobicContact CG1-CG 3.87Å; V278-V314 HydrophobicContact CG1-CG1 4.25Å; V278-V314 HydrophobicContact CG1-CG2 4.2Å; V278-V314 HydrophobicContact CG2-CG2 4.44Å
279A98.6Very high98.2Very high34 Ų3451 Ų5128%0.28125%0.252SS..Hα-helixtrans-63.9-40.5177.900000112.3R275 K276 E277 A282 Q283 Y304R275-A279 PolarHBondContact O-N 3.23Å; K276-A279 WeakPolarHBondContact O-CB 3.3Å; K276-A279 PolarHBondContact O-N 3.39Å; E277-A279 VanDerWaalsContact C-N 3.28Å; E277-A279 PolarHBondContact O-N 3.39Å; A279-A282 PolarHBondContact O-N 3.41Å; A279-Q283 WeakPolarHBondContact O-CB 3.41Å; A279-Q283 PolarHBondContact O-N 3.46Å; A279-Y304 HydrophobicContact CB-CE2 4.19Å
280Q98.5Very high98.2Very high79 Ų7953.5 Ų53.537%0.36926%0.262SS..Hα-helixtrans-63.2-45.8176-69.6170.1-79.400111.8K276 E277 Q283 I284 L363K276-Q280 WeakPolarHBondContact O-CG 3.32Å; K276-Q280 PolarHBondContact O-N 2.89Å; K276-Q280 PolarHBondContact O-OE1 2.9Å; E277-Q280 PolarHBondContact O-N 2.97Å; E277-Q280 VanDerWaalsContact O-N 3.15Å; Q280-Q283 PolarHBondContact O-N 3.2Å; Q280-I284 PolarHBondContact O-N 2.95Å; Q280-L363 HydrophobicContact CB-CD1 4.1Å; Q280-L363 HydrophobicContact CB-CD2 4.06Å
281I98.6Very high98.3Very high5 Ų552.2 Ų52.23%0.02626%0.261CS..Hα-helixtrans-62.4-47.9176.7-66.3167.5000110.1E277 V278 Q283 I284 V285 V314 L363 R371 I373E277-I281 HydrophobicContact CG-CD1 4.19Å; E277-I281 WeakPolarHBondContact O-CG1 3.44Å; E277-I281 PolarHBondContact O-N 3.45Å; V278-I281 PolarHBondContact O-N 2.85Å; I281-Q283 VanDerWaalsContact C-N 3.3Å; I281-Q283 PolarHBondContact O-N 2.96Å; I281-I284 PolarHBondContact O-N 3.31Å; I281-V285 PolarHBondContact O-N 3.39Å; I281-V314 HydrophobicContact CB-CG2 4.34Å; I281-V314 HydrophobicContact CD1-CG2 4.01Å; I281-V314 HydrophobicContact CG2-CB 4.47Å; I281-V314 HydrophobicContact CG2-CG1 4.21Å; I281-V314 HydrophobicContact CG2-CG2 4.07Å; I281-L363 HydrophobicContact CG1-CD1 4.32Å; I281-L363 HydrophobicContact CG1-CD2 3.74Å; I281-L363 HydrophobicContact CG1-CG 3.81Å; I281-R371 HydrophobicContact CD1-CB 3.98Å; I281-R371 HydrophobicContact CD1-CG 3.79Å; I281-I373 HydrophobicContact CG2-CD1 4.13Å
282A98.6Very high98.3Very high5 Ų549 Ų494%0.04125%0.249CC..Hα-helixtrans-61.2-37.8179.800000112.4V278 A279 V285 Q286 F298 V300V278-A282 VanDerWaalsContact O-CB 3.24Å; V278-A282 WeakPolarHBondContact O-CB 3.42Å; V278-A282 PolarHBondContact O-N 3.25Å; A279-A282 PolarHBondContact O-N 3.41Å; A282-V285 PolarHBondContact O-N 3.42Å; A282-Q286 WeakPolarHBondContact O-CB 3.4Å; A282-Q286 PolarHBondContact O-N 2.86Å; A282-F298 HydrophobicContact CB-CE1 4.5Å; A282-F298 WeakPolarHBondContact O-CZ 3.34Å; A282-V300 HydrophobicContact CB-CG1 4.48Å; A282-V300 HydrophobicContact CB-CG2 3.44Å; A282-V300 VanDerWaalsContact CB-CG2 3.44Å
283Q98.5Very high98.3Very high89 Ų8945.8 Ų45.842%0.41623%0.232SC..Hα-helixtrans-61-45.2177.8-17063.557.200111.6A279 Q280 I281 V285 Q286 D287A279-Q283 WeakPolarHBondContact O-CB 3.41Å; A279-Q283 PolarHBondContact O-N 3.46Å; Q280-Q283 PolarHBondContact O-N 3.2Å; I281-Q283 VanDerWaalsContact C-N 3.3Å; I281-Q283 PolarHBondContact O-N 2.96Å; Q283-V285 VanDerWaalsContact C-N 3.3Å; Q283-V285 PolarHBondContact O-N 3.04Å; Q283-Q286 PolarHBondContact O-N 2.98Å; Q283-Q286 VanDerWaalsContact O-N 3.16Å; Q283-D287 PolarHBondContact NE2-OD1 3.29Å; Q283-D287 WeakPolarHBondContact O-CB 3.3Å; Q283-D287 PolarHBondContact O-N 2.72Å
284I98.4Very high98.2Very high39 Ų3953 Ų5320%0.227%0.265CS..Hα-helixtrans-58.9-44.1177.7-66.1169.7000110.9Q280 I281 E288 L337 Y342 L363Q280-I284 PolarHBondContact O-N 2.95Å; I281-I284 PolarHBondContact O-N 3.31Å; I284-E288 PolarHBondContact O-N 2.89Å; I284-E288 VanDerWaalsContact O-N 3.16Å; I284-L337 HydrophobicContact CG2-CD2 4.28Å; I284-Y342 HydrophobicContact CD1-CD1 4.2Å; I284-Y342 HydrophobicContact CD1-CE1 3.77Å; I284-Y342 HydrophobicContact CG2-CD1 4.05Å; I284-Y342 HydrophobicContact CG2-CD2 4.04Å; I284-Y342 HydrophobicContact CG2-CE1 3.99Å; I284-Y342 HydrophobicContact CG2-CE2 3.98Å; I284-Y342 HydrophobicContact CG2-CG 4.08Å; I284-L363 HydrophobicContact CD1-CD2 3.6Å
285V98.6Very high98.2Very high3 Ų357.4 Ų57.42%0.01828%0.275CS..Hα-helixtrans-68.6-40.4178.3-1740000110.6I281 A282 Q283 E288 V289 F298 I316 L333 L337 I373 I375I281-V285 PolarHBondContact O-N 3.39Å; A282-V285 PolarHBondContact O-N 3.42Å; Q283-V285 VanDerWaalsContact C-N 3.3Å; Q283-V285 PolarHBondContact O-N 3.04Å; V285-E288 PolarHBondContact O-N 3.02Å; V285-V289 HydrophobicContact CG1-CG2 4.4Å; V285-V289 VanDerWaalsContact O-CG2 3.24Å; V285-V289 WeakPolarHBondContact O-CG2 3.17Å; V285-V289 PolarHBondContact O-N 3.24Å; V285-F298 HydrophobicContact CB-CE2 4.19Å; V285-F298 HydrophobicContact CB-CZ 4.28Å; V285-F298 HydrophobicContact CG1-CE2 3.88Å; V285-F298 HydrophobicContact CG1-CZ 4.39Å; V285-I316 HydrophobicContact CB-CD1 3.89Å; V285-I316 HydrophobicContact CG1-CD1 3.88Å; V285-I316 HydrophobicContact CG2-CD1 3.97Å; V285-L333 HydrophobicContact CG1-CD1 4.5Å; V285-L333 HydrophobicContact CG1-CD2 4.16Å; V285-L337 HydrophobicContact CB-CD1 4.45Å; V285-L337 HydrophobicContact CG1-CD1 4.07Å; V285-L337 HydrophobicContact CG2-CD1 4.08Å; V285-I373 HydrophobicContact CG2-CD1 4Å; V285-I375 HydrophobicContact CG1-CD1 4Å
286Q98.6Very high98.2Very high58 Ų5853.8 Ų53.827%0.27126%0.262SS..Hα-helixtrans-63.1-44.9178.6-172.4174.750.100111.6A282 Q283 E288 V289 K290 F298A282-Q286 WeakPolarHBondContact O-CB 3.4Å; A282-Q286 PolarHBondContact O-N 2.86Å; Q283-Q286 PolarHBondContact O-N 2.98Å; Q283-Q286 VanDerWaalsContact O-N 3.16Å; Q286-E288 VanDerWaalsContact C-N 3.29Å; Q286-E288 PolarHBondContact O-N 3.04Å; Q286-V289 PolarHBondContact O-N 3.48Å; Q286-K290 HydrophobicContact CG-CG 4.35Å; Q286-K290 WeakPolarHBondContact O-CB 3.19Å; Q286-K290 VanDerWaalsContact O-CG 3.28Å; Q286-K290 WeakPolarHBondContact O-CG 3.19Å; Q286-K290 PolarHBondContact O-N 2.88Å; Q286-F298 HydrophobicContact CB-CD1 3.97Å; Q286-F298 HydrophobicContact CB-CD2 4.22Å; Q286-F298 HydrophobicContact CB-CE1 3.8Å; Q286-F298 HydrophobicContact CB-CE2 4.05Å; Q286-F298 HydrophobicContact CB-CG 4.18Å; Q286-F298 HydrophobicContact CB-CZ 3.84Å; Q286-F298 HydrophobicContact CG-CB 4.32Å; Q286-F298 HydrophobicContact CG-CD1 3.85Å; Q286-F298 HydrophobicContact CG-CD2 4.32Å; Q286-F298 HydrophobicContact CG-CE1 4.2Å; Q286-F298 HydrophobicContact CG-CG 3.92Å
287D98.5Very high98.2Very high89 Ų8948.6 Ų48.648%0.47624%0.241SC..Hα-helixtrans-60-42.2176.7-66.2-16.4000110.6Q283 K290 S291Q283-D287 PolarHBondContact NE2-OD1 3.29Å; Q283-D287 WeakPolarHBondContact O-CB 3.3Å; Q283-D287 PolarHBondContact O-N 2.72Å; D287-K290 PolarHBondContact O-N 3.13Å; D287-S291 WeakPolarHBondContact O-CB 3.2Å; D287-S291 PolarHBondContact O-N 2.85Å
288E98.4Very high98.2Very high8 Ų848 Ų484%0.03724%0.238CC..Hα-helixtrans-64-44.5176.1-165.264.5-158.800111.9I284 V285 Q286 S291 I292 L333 R336 L337 K340I284-E288 PolarHBondContact O-N 2.89Å; I284-E288 VanDerWaalsContact O-N 3.16Å; V285-E288 PolarHBondContact O-N 3.02Å; Q286-E288 VanDerWaalsContact C-N 3.29Å; Q286-E288 PolarHBondContact O-N 3.04Å; E288-S291 PolarHBondContact O-N 3.37Å; E288-S291 PolarHBondContact O-OG 3.25Å; E288-I292 WeakPolarHBondContact O-CG1 3.47Å; E288-I292 PolarHBondContact O-N 3.42Å; E288-L333 HydrophobicContact CB-CD1 3.84Å; E288-L333 HydrophobicContact CG-CD1 3.63Å; E288-R336 HydrophobicContact CG-CB 4.38Å; E288-R336 WeakPolarHBondContact OE1-CB 3.36Å; E288-R336 IonicContact OE1-CZ 3.46Å; E288-R336 IonicContact OE1-NE 3.64Å; E288-R336 PolarHBondContact OE1-NE 2.87Å; E288-R336 IonicContact OE1-NH2 3.45Å; E288-R336 PolarHBondContact OE1-NH2 3.38Å; E288-L337 HydrophobicContact CB-CD2 3.97Å; E288-L337 HydrophobicContact CB-CG 4.41Å; E288-L337 HydrophobicContact CG-CD2 3.98Å; E288-L337 HydrophobicContact CG-CG 4.09Å; E288-K340 IonicContact OE1-NZ 3.6Å; E288-K340 IonicContact OE2-NZ 3.95Å; E288-K340 PolarHBondContact OE2-NZ 2.84Å
289V98.3Very high98.2Very high0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-60.5-46176.5169.10000111V285 Q286 S291 I292 D293 C296 F298 I318 L333V285-V289 HydrophobicContact CG1-CG2 4.4Å; V285-V289 VanDerWaalsContact O-CG2 3.24Å; V285-V289 WeakPolarHBondContact O-CG2 3.17Å; V285-V289 PolarHBondContact O-N 3.24Å; Q286-V289 PolarHBondContact O-N 3.48Å; V289-S291 VanDerWaalsContact C-N 3.3Å; V289-S291 PolarHBondContact O-N 3.31Å; V289-I292 WeakPolarHBondContact O-CB 3.49Å; V289-I292 PolarHBondContact O-N 3.02Å; V289-I292 VanDerWaalsContact O-N 3.1Å; V289-D293 PolarHBondContact O-N 3.04Å; V289-C296 HydrophobicContact CG1-CB 3.48Å; V289-C296 VanDerWaalsContact CG1-CB 3.48Å; V289-F298 HydrophobicContact CB-CD2 4.35Å; V289-F298 HydrophobicContact CG1-CD2 4.45Å; V289-F298 HydrophobicContact CG2-CD2 4.12Å; V289-F298 HydrophobicContact CG2-CE2 4.32Å; V289-I318 HydrophobicContact CG1-CG2 4.15Å; V289-I318 HydrophobicContact CG2-CD1 3.63Å; V289-L333 HydrophobicContact CG2-CD1 3.74Å; V289-L333 HydrophobicContact CG2-CD2 3.63Å; V289-L333 HydrophobicContact CG2-CG 4.31Å
290K98Very high98.2Very high79 Ų7950.3 Ų50.334%0.34325%0.245SC..Hα-helixtrans-67.2-31.3178.8-68.4-70.4175.61790112.4Q286 D287 I292 D293 E294 C296Q286-K290 HydrophobicContact CG-CG 4.35Å; Q286-K290 WeakPolarHBondContact O-CB 3.19Å; Q286-K290 VanDerWaalsContact O-CG 3.28Å; Q286-K290 WeakPolarHBondContact O-CG 3.19Å; Q286-K290 PolarHBondContact O-N 2.88Å; D287-K290 PolarHBondContact O-N 3.13Å; K290-I292 VanDerWaalsContact C-N 3.26Å; K290-I292 PolarHBondContact O-N 3.29Å; K290-D293 CarbonylContact O-C 3.5Å; K290-E294 HydrophobicContact CD-CG 4.31Å; K290-E294 WeakPolarHBondContact CD-O 3.45Å; K290-E294 PolarHBondContact NZ-O 3.45Å; K290-E294 PolarHBondContact O-N 3.49Å; K290-C296 PolarHBondContact NZ-O 3.06Å
291S98Very high98.1Very high66 Ų6646.7 Ų46.746%0.46223%0.228SC..Hα-helixtrans-68.6-23.1172.285.10000113.7D287 E288 V289 R336D287-S291 WeakPolarHBondContact O-CB 3.2Å; D287-S291 PolarHBondContact O-N 2.85Å; E288-S291 PolarHBondContact O-N 3.37Å; E288-S291 PolarHBondContact O-OG 3.25Å; V289-S291 VanDerWaalsContact C-N 3.3Å; V289-S291 PolarHBondContact O-N 3.31Å; S291-R336 PolarHBondContact OG-NH2 3.47Å
292I97Very high98Very high46 Ų4646.6 Ų46.624%0.23623%0.228CC..Hα-helixtrans-83-52175.5-65.7166000110E288 V289 K290 L329 L332 L333E288-I292 WeakPolarHBondContact O-CG1 3.47Å; E288-I292 PolarHBondContact O-N 3.42Å; V289-I292 WeakPolarHBondContact O-CB 3.49Å; V289-I292 PolarHBondContact O-N 3.02Å; V289-I292 VanDerWaalsContact O-N 3.1Å; K290-I292 VanDerWaalsContact C-N 3.26Å; K290-I292 PolarHBondContact O-N 3.29Å; I292-L329 HydrophobicContact CB-CD1 4.25Å; I292-L329 HydrophobicContact CD1-CD1 4.14Å; I292-L329 HydrophobicContact CG2-CD1 3.74Å; I292-L332 HydrophobicContact CD1-CD2 4.28Å; I292-L332 HydrophobicContact CD1-CG 4.22Å; I292-L332 HydrophobicContact CG1-CD2 4.37Å; I292-L332 HydrophobicContact CG2-CD2 3.95Å; I292-L333 HydrophobicContact CD1-CB 4.24Å; I292-L333 HydrophobicContact CD1-CD1 4.23Å
293D96.8Very high97.9Very high36 Ų3647.1 Ų47.119%0.19323%0.232CC..  trans-154.4116.9172-168.3-33.7000109.8V289 K290 R295 C296 H320V289-D293 PolarHBondContact O-N 3.04Å; K290-D293 CarbonylContact O-C 3.5Å; D293-R295 PolarHBondContact O-N 2.94Å; D293-R295 VanDerWaalsContact O-N 3.14Å; D293-R295 VanDerWaalsContact OD1-CB 3.26Å; D293-R295 WeakPolarHBondContact OD1-CB 3.32Å; D293-R295 WeakPolarHBondContact OD1-CG 3.33Å; D293-R295 IonicContact OD1-CZ 3.99Å; D293-R295 PolarHBondContact OD1-N 2.92Å; D293-R295 IonicContact OD1-NE 3.14Å; D293-R295 PolarHBondContact OD1-NE 2.97Å; D293-R295 VanDerWaalsContact OD1-NE 3.14Å; D293-R295 IonicContact OD1-NH2 3.55Å; D293-R295 IonicContact OD2-CZ 3.45Å; D293-R295 IonicContact OD2-NE 3.91Å; D293-R295 PolarHBondContact OD2-NE 3.43Å; D293-R295 IonicContact OD2-NH2 3.56Å; D293-R295 PolarHBondContact OD2-NH2 3.09Å; D293-C296 WeakPolarHBondContact O-CB 3.5Å; D293-C296 PolarHBondContact O-N 3.49Å; D293-C296 VanDerWaalsContact O-N 3.1Å; D293-C296 PolarHBondContact O-SG 2.81Å; D293-H320 IonicContact OD1-NE2 3.7Å; D293-H320 IonicContact OD2-CD2 2.69Å; D293-H320 IonicContact OD2-NE2 2.79Å; D293-H320 PolarHBondContact OD2-NE2 2.94Å; D293-H320 VanDerWaalsContact OD2-NE2 3.1Å
294E97Very high97.9Very high153 Ų15345.6 Ų45.672%0.71522%0.222SC*.THydrogen-bonded Turntrans-60.6-24.4-178.7-166.8177.2-178.100112.7K290 C296K290-E294 HydrophobicContact CD-CG 4.31Å; K290-E294 WeakPolarHBondContact CD-O 3.45Å; K290-E294 PolarHBondContact NZ-O 3.45Å; K290-E294 PolarHBondContact O-N 3.49Å; E294-C296 VanDerWaalsContact C-N 3.25Å; E294-C296 PolarHBondContact O-N 3.04Å
295R97.5Very high97.9Very high145 Ų14548.8 Ų48.855%0.54723%0.232SC..THydrogen-bonded Turntrans-77.2-7.4179.8-57.6173.7-62.3166.85.1113.5D293 I297 P321D293-R295 PolarHBondContact O-N 2.94Å; D293-R295 VanDerWaalsContact O-N 3.14Å; D293-R295 VanDerWaalsContact OD1-CB 3.26Å; D293-R295 WeakPolarHBondContact OD1-CB 3.32Å; D293-R295 WeakPolarHBondContact OD1-CG 3.33Å; D293-R295 IonicContact OD1-CZ 3.99Å; D293-R295 PolarHBondContact OD1-N 2.92Å; D293-R295 IonicContact OD1-NE 3.14Å; D293-R295 PolarHBondContact OD1-NE 2.97Å; D293-R295 VanDerWaalsContact OD1-NE 3.14Å; D293-R295 IonicContact OD1-NH2 3.55Å; D293-R295 IonicContact OD2-CZ 3.45Å; D293-R295 IonicContact OD2-NE 3.91Å; D293-R295 PolarHBondContact OD2-NE 3.43Å; D293-R295 IonicContact OD2-NH2 3.56Å; D293-R295 PolarHBondContact OD2-NH2 3.09Å; R295-I297 PolarHBondContact O-N 2.83Å; R295-P321 HydrophobicContact CB-CG 4.32Å; R295-P321 WeakPolarHBondContact O-CD 3.48Å
296C98.1Very high97.7Very high3 Ų353.2 Ų53.22%0.0225%0.248CC..  trans-58.8139173.3-67.90000111.1V289 K290 D293 E294 I318V289-C296 HydrophobicContact CG1-CB 3.48Å; V289-C296 VanDerWaalsContact CG1-CB 3.48Å; K290-C296 PolarHBondContact NZ-O 3.06Å; D293-C296 WeakPolarHBondContact O-CB 3.5Å; D293-C296 PolarHBondContact O-N 3.49Å; D293-C296 VanDerWaalsContact O-N 3.1Å; D293-C296 PolarHBondContact O-SG 2.81Å; E294-C296 VanDerWaalsContact C-N 3.25Å; E294-C296 PolarHBondContact O-N 3.04Å; C296-I318 HydrophobicContact CB-CG2 4.32Å
297I98.1Very high97.6Very high54 Ų5457.9 Ų57.928%0.27727%0.27SS..EExtended strand (participates in β ladder)trans-95.9128.9170.9-60.5171.4000107.1R295 I318 T319 F380 F383R295-I297 PolarHBondContact O-N 2.83Å; I297-I318 VanDerWaalsContact O-CA 3.29Å; I297-I318 WeakPolarHBondContact O-CA 3.06Å; I297-I318 WeakPolarHBondContact O-CG2 3.49Å; I297-T319 HydrophobicContact CB-CG2 3.78Å; I297-T319 HydrophobicContact CD1-CG2 4.07Å; I297-T319 HydrophobicContact CG1-CG2 4.39Å; I297-T319 HydrophobicContact CG2-CG2 4.31Å; I297-T319 PolarHBondContact N-O 3.16Å; I297-T319 PolarHBondContact O-N 3.42Å; I297-F380 HydrophobicContact CD1-CD2 4.22Å; I297-F380 HydrophobicContact CD1-CE2 3.61Å; I297-F383 HydrophobicContact CG2-CE1 4.14Å; I297-F383 HydrophobicContact CG2-CE2 4.07Å; I297-F383 HydrophobicContact CG2-CZ 3.59Å
298F98.5Very high97.4Very high16 Ų1657.7 Ų57.77%0.0727%0.266CS..EExtended strand (participates in β ladder)trans-129.9125.5-172.9-179.7-78.6000109.3A282 V285 Q286 V289 V300 I316 I318A282-F298 HydrophobicContact CB-CE1 4.5Å; A282-F298 WeakPolarHBondContact O-CZ 3.34Å; V285-F298 HydrophobicContact CB-CE2 4.19Å; V285-F298 HydrophobicContact CB-CZ 4.28Å; V285-F298 HydrophobicContact CG1-CE2 3.88Å; V285-F298 HydrophobicContact CG1-CZ 4.39Å; Q286-F298 HydrophobicContact CB-CD1 3.97Å; Q286-F298 HydrophobicContact CB-CD2 4.22Å; Q286-F298 HydrophobicContact CB-CE1 3.8Å; Q286-F298 HydrophobicContact CB-CE2 4.05Å; Q286-F298 HydrophobicContact CB-CG 4.18Å; Q286-F298 HydrophobicContact CB-CZ 3.84Å; Q286-F298 HydrophobicContact CG-CB 4.32Å; Q286-F298 HydrophobicContact CG-CD1 3.85Å; Q286-F298 HydrophobicContact CG-CD2 4.32Å; Q286-F298 HydrophobicContact CG-CE1 4.2Å; Q286-F298 HydrophobicContact CG-CG 3.92Å; V289-F298 HydrophobicContact CB-CD2 4.35Å; V289-F298 HydrophobicContact CG1-CD2 4.45Å; V289-F298 HydrophobicContact CG2-CD2 4.12Å; V289-F298 HydrophobicContact CG2-CE2 4.32Å; F298-V300 HydrophobicContact CE1-CG2 3.81Å; F298-I316 HydrophobicContact CD2-CG2 4.01Å; F298-I316 HydrophobicContact CE1-CG2 4.4Å; F298-I316 HydrophobicContact CE2-CD1 4.24Å; F298-I316 HydrophobicContact CE2-CG1 4.48Å; F298-I316 HydrophobicContact CE2-CG2 3.38Å; F298-I316 HydrophobicContact CZ-CB 4.43Å; F298-I316 HydrophobicContact CZ-CD1 3.78Å; F298-I316 HydrophobicContact CZ-CG1 3.92Å; F298-I316 HydrophobicContact CZ-CG2 3.62Å; F298-I318 HydrophobicContact CD2-CD1 4.16Å; F298-I318 HydrophobicContact CD2-CG1 3.84Å; F298-I318 HydrophobicContact CE2-CD1 4.35Å; F298-I318 HydrophobicContact CE2-CG1 4.33Å
299E98.4Very high97.3Very high65 Ų6561 Ų6130%0.30429%0.288SS..EExtended strand (participates in β ladder)trans-132.3127.5178.9-72.6-71.4147.300110.4R305 L317 F383 L387E299-R305 IonicContact OE2-NE 2.78Å; E299-R305 PolarHBondContact OE2-NE 3.02Å; E299-L317 HydrophobicContact CB-CB 4.48Å; E299-L317 PolarHBondContact N-O 3.06Å; E299-L317 PolarHBondContact O-N 3.11Å; E299-F383 HydrophobicContact CG-CE2 4.26Å; E299-F383 HydrophobicContact CG-CZ 3.68Å; E299-L387 HydrophobicContact CB-CD1 4.04Å; E299-L387 HydrophobicContact CG-CD1 4.07Å
300V98.6Very high97.3Very high19 Ų1966.2 Ų66.212%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-79.3126.7166-169.20000107.6V278 A282 F298 Y304 R305 D315V278-V300 HydrophobicContact CG1-CG1 4.15Å; A282-V300 HydrophobicContact CB-CG1 4.48Å; A282-V300 HydrophobicContact CB-CG2 3.44Å; A282-V300 VanDerWaalsContact CB-CG2 3.44Å; F298-V300 HydrophobicContact CE1-CG2 3.81Å; V300-Y304 HydrophobicContact CB-CD1 3.62Å; V300-Y304 HydrophobicContact CB-CE1 3.88Å; V300-Y304 HydrophobicContact CB-CG 4.42Å; V300-Y304 HydrophobicContact CG1-CD1 3.38Å; V300-Y304 HydrophobicContact CG1-CE1 4Å; V300-Y304 HydrophobicContact CG1-CG 3.69Å; V300-Y304 HydrophobicContact CG2-CE1 4.39Å; V300-R305 WeakPolarHBondContact O-CB 3.24Å; V300-R305 WeakPolarHBondContact O-CD 3.01Å; V300-D315 CarbonylContact C-O 3.57Å; V300-D315 WeakPolarHBondContact CA-O 3.1Å
301C98.2Very high97.2Very high2 Ų262.6 Ų62.61%0.01430%0.296CS..  trans-109-146-171.3-69.80000111.5Y304 R305 D315 L317 N390C301-Y304 PolarHBondContact O-N 3.37Å; C301-R305 PolarHBondContact O-N 3.15Å; C301-D315 HydrophobicContact CB-CB 3.93Å; C301-D315 PolarHBondContact N-O 2.87Å; C301-L317 VanDerWaalsContact SG-CB 3.52Å; C301-N390 HydrophobicContact CB-CB 4Å
302G96.1Very high97.1Very high3 Ų361 Ų613%0.03129%0.289CS..Hα-helixtrans62.1-150.5171.900000114.6Y304 R305 R306 D315 N390G302-Y304 VanDerWaalsContact C-N 3.27Å; G302-Y304 PolarHBondContact O-N 3.11Å; G302-R305 PolarHBondContact O-N 3.17Å; G302-R306 VanDerWaalsContact C-NH1 3.29Å; G302-R306 PolarHBondContact O-NH1 2.79Å; G302-D315 VanDerWaalsContact CA-OD2 3.27Å; G302-D315 WeakPolarHBondContact CA-OD2 3.29Å; G302-N390 WeakPolarHBondContact CA-O 3.42Å; G302-N390 PolarHBondContact N-O 3.07Å
303S95.9Very high97.1Very high17 Ų1760.3 Ų60.312%0.11929%0.286CS..Hα-helixtrans-59.7-35.5172.438.40000112.6R305 R306 E307 E308 S311S303-R305 PolarHBondContact O-N 3.35Å; S303-R306 CarbonylContact O-C 3.54Å; S303-R306 PolarHBondContact O-N 3.27Å; S303-E307 PolarHBondContact O-N 3.04Å; S303-E308 WeakPolarHBondContact O-CB 3.45Å; S303-E308 WeakPolarHBondContact O-CG 3.44Å; S303-E308 PolarHBondContact O-N 3.26Å; S303-E308 VanDerWaalsContact O-N 3.16Å; S303-S311 WeakPolarHBondContact OG-CA 3.16Å; S303-S311 WeakPolarHBondContact OG-CB 3.32Å; S303-S311 PolarHBondContact OG-OG 2.97Å
304Y98.4Very high97.2Very high56 Ų5658.6 Ų58.622%0.2228%0.277CS..Hα-helixtrans-57.6-45.9178.1-179.3-87000112.3R275 V278 A279 V300 C301 G302 R306 E307R275-Y304 HydrophobicContact CG-CD2 3.9Å; R275-Y304 HydrophobicContact CG-CE2 3.71Å; R275-Y304 PolarHBondContact NH1-O 3.41Å; R275-Y304 PolarHBondContact NH2-O 3.09Å; V278-Y304 HydrophobicContact CB-CD2 3.78Å; V278-Y304 HydrophobicContact CB-CE2 4.25Å; V278-Y304 HydrophobicContact CG1-CD2 3.44Å; V278-Y304 VanDerWaalsContact CG1-CD2 3.44Å; V278-Y304 HydrophobicContact CG1-CE2 4.09Å; V278-Y304 HydrophobicContact CG1-CG 3.87Å; A279-Y304 HydrophobicContact CB-CE2 4.19Å; V300-Y304 HydrophobicContact CB-CD1 3.62Å; V300-Y304 HydrophobicContact CB-CE1 3.88Å; V300-Y304 HydrophobicContact CB-CG 4.42Å; V300-Y304 HydrophobicContact CG1-CD1 3.38Å; V300-Y304 HydrophobicContact CG1-CE1 4Å; V300-Y304 HydrophobicContact CG1-CG 3.69Å; V300-Y304 HydrophobicContact CG2-CE1 4.39Å; C301-Y304 PolarHBondContact O-N 3.37Å; G302-Y304 VanDerWaalsContact C-N 3.27Å; G302-Y304 PolarHBondContact O-N 3.11Å; Y304-R306 PolarHBondContact O-N 3.48Å; Y304-E307 PolarHBondContact O-N 3.49Å
305R97.8Very high97.3Very high107 Ų10752.7 Ų52.740%0.40425%0.251SS..Hα-helixtrans-72-16.3178.9-163.4164.1-176.1-72.9-6.6113.9E299 V300 C301 G302 S303 E307 T391E299-R305 IonicContact OE2-NE 2.78Å; E299-R305 PolarHBondContact OE2-NE 3.02Å; V300-R305 WeakPolarHBondContact O-CB 3.24Å; V300-R305 WeakPolarHBondContact O-CD 3.01Å; C301-R305 PolarHBondContact O-N 3.15Å; G302-R305 PolarHBondContact O-N 3.17Å; S303-R305 PolarHBondContact O-N 3.35Å; R305-E307 VanDerWaalsContact C-N 3.26Å; R305-T391 HydrophobicContact CB-CG2 3.96Å; R305-T391 WeakPolarHBondContact CD-OG1 3.22Å; R305-T391 HydrophobicContact CG-CG2 4.01Å
306R95.5Very high97.4Very high95 Ų9546 Ų4636%0.35823%0.226SC..THydrogen-bonded Turntrans-88.89.2170.6-58-168.3-52.4-84.4-2.6113.2G302 S303 Y304 E308 T391G302-R306 VanDerWaalsContact C-NH1 3.29Å; G302-R306 PolarHBondContact O-NH1 2.79Å; S303-R306 CarbonylContact O-C 3.54Å; S303-R306 PolarHBondContact O-N 3.27Å; Y304-R306 PolarHBondContact O-N 3.48Å; R306-E308 HydrophobicContact CB-CG 4.44Å; R306-E308 PolarHBondContact O-N 2.96Å; R306-T391 HydrophobicContact CG-CG2 4.11Å; R306-T391 PolarHBondContact NH1-O 3.42Å
307E95.8Very high97.4Very high157 Ų15745.9 Ų45.973%0.73423%0.225SC*.THydrogen-bonded Turntrans66.720.7178-53.3-173.1149.100114.9S303 Y304 R305S303-E307 PolarHBondContact O-N 3.04Å; Y304-E307 PolarHBondContact O-N 3.49Å; R305-E307 VanDerWaalsContact C-N 3.26Å
308E94.6Very high97.4Very high84 Ų8443.3 Ų43.339%0.39321%0.212SC..  trans-63.4141.8174.1-59.9-68.3173.400110.5R275 S303 R306 F310R275-E308 PolarHBondContact NH1-O 3.29Å; S303-E308 WeakPolarHBondContact O-CB 3.45Å; S303-E308 WeakPolarHBondContact O-CG 3.44Å; S303-E308 PolarHBondContact O-N 3.26Å; S303-E308 VanDerWaalsContact O-N 3.16Å; R306-E308 HydrophobicContact CB-CG 4.44Å; R306-E308 PolarHBondContact O-N 2.96Å; E308-F310 WeakPolarHBondContact CB-O 3.2Å; E308-F310 PolarHBondContact O-N 3.11Å
309P96.7Very high97.3Very high77 Ų7742.5 Ų42.550%0.521%0.208SC..SBendtrans-69.1-22.5177.326.5-33000112.6R275R275-P309 WeakPolarHBondContact CB-O 3.16Å; R275-P309 PolarHBondContact N-O 2.76Å
310F97.3Very high97.3Very high111 Ų11139.5 Ų39.549%0.48719%0.194SC..EExtended strand (participates in β ladder)trans-133.7151.2-175.6-64-70.9000111.2D272 I273 P274 E308D272-F310 HydrophobicContact CB-CB 3.97Å; D272-F310 HydrophobicContact CB-CD1 4.07Å; D272-F310 HydrophobicContact CB-CG 4.25Å; I273-F310 CarbonylContact O-C 3.53Å; I273-F310 WeakPolarHBondContact O-CA 3.36Å; P274-F310 HydrophobicContact CB-CE1 4.46Å; P274-F310 HydrophobicContact CG-CE1 4.41Å; E308-F310 WeakPolarHBondContact CB-O 3.2Å; E308-F310 PolarHBondContact O-N 3.11Å
311S97.7Very high97.2Very high2 Ų241.3 Ų41.31%0.01421%0.206CC..EExtended strand (participates in β ladder)trans-136.6149.1177.6-61.60000111.1I273 S303 D313I273-S311 WeakPolarHBondContact CB-O 3.43Å; I273-S311 VanDerWaalsContact CG1-O 3.32Å; I273-S311 WeakPolarHBondContact CG1-O 3.44Å; I273-S311 PolarHBondContact N-O 2.76Å; I273-S311 PolarHBondContact O-N 3.44Å; S303-S311 WeakPolarHBondContact OG-CA 3.16Å; S303-S311 WeakPolarHBondContact OG-CB 3.32Å; S303-S311 PolarHBondContact OG-OG 2.97Å; S311-D313 WeakPolarHBondContact CB-O 3.46Å
312G95.1Very high97Very high32 Ų3244.2 Ų44.233%0.3322%0.222SC..SBendtrans-87.5-16.1176.400000114.3R372G312-R372 PolarHBondContact O-NH2 2.78Å
313D97.7Very high96.7Very high32 Ų3245.4 Ų45.417%0.17123%0.234CC..SBendtrans-160.3168.7177.934.423.6000110S311 R372S311-D313 WeakPolarHBondContact CB-O 3.46Å; D313-R372 WeakPolarHBondContact CA-O 3.44Å; D313-R372 HydrophobicContact CB-CB 3.86Å; D313-R372 WeakPolarHBondContact CB-O 3.2Å; D313-R372 IonicContact OD2-CZ 3.77Å; D313-R372 IonicContact OD2-NH1 3.06Å; D313-R372 PolarHBondContact OD2-NH1 3.15Å; D313-R372 IonicContact OD2-NH2 3.04Å; D313-R372 PolarHBondContact OD2-NH2 3.08Å
314V98.6Very high96.6Very high0 Ų050.1 Ų50.10%026%0.257CS..EExtended strand (participates in β ladder)trans-99.8108.2174-1780000108.9I273 V278 I281 I316 R372 I373 D374I273-V314 HydrophobicContact CD1-CG2 4.19Å; V278-V314 HydrophobicContact CG1-CG1 4.25Å; V278-V314 HydrophobicContact CG1-CG2 4.2Å; V278-V314 HydrophobicContact CG2-CG2 4.44Å; I281-V314 HydrophobicContact CB-CG2 4.34Å; I281-V314 HydrophobicContact CD1-CG2 4.01Å; I281-V314 HydrophobicContact CG2-CB 4.47Å; I281-V314 HydrophobicContact CG2-CG1 4.21Å; I281-V314 HydrophobicContact CG2-CG2 4.07Å; V314-I316 HydrophobicContact CG1-CD1 4.05Å; V314-I316 HydrophobicContact CG1-CG1 4.09Å; V314-R372 PolarHBondContact N-O 3.49Å; V314-I373 HydrophobicContact CB-CB 4.34Å; V314-I373 HydrophobicContact CB-CD1 4.38Å; V314-I373 HydrophobicContact CB-CG1 4.11Å; V314-I373 HydrophobicContact CG1-CD1 4.24Å; V314-I373 HydrophobicContact CG1-CG1 4.32Å; V314-I373 CarbonylContact O-C 3.59Å; V314-I373 WeakPolarHBondContact O-CA 3.36Å; V314-I373 WeakPolarHBondContact O-CG1 3.37Å; V314-D374 PolarHBondContact O-N 3.33Å
315D98.5Very high96.3Very high30 Ų3049.9 Ų49.916%0.1626%0.263CS..EExtended strand (participates in β ladder)trans-93.6124.4175.2-69.3-69.5000110.8V300 C301 G302V300-D315 CarbonylContact C-O 3.57Å; V300-D315 WeakPolarHBondContact CA-O 3.1Å; C301-D315 HydrophobicContact CB-CB 3.93Å; C301-D315 PolarHBondContact N-O 2.87Å; G302-D315 VanDerWaalsContact CA-OD2 3.27Å; G302-D315 WeakPolarHBondContact CA-OD2 3.29Å
316I98.7Very high96.1Very high4 Ų445.5 Ų45.52%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-126132.3178.8-68.8167.6000109.8V285 F298 V314 I318 I373 D374 I375 V376V285-I316 HydrophobicContact CB-CD1 3.89Å; V285-I316 HydrophobicContact CG1-CD1 3.88Å; V285-I316 HydrophobicContact CG2-CD1 3.97Å; F298-I316 HydrophobicContact CD2-CG2 4.01Å; F298-I316 HydrophobicContact CE1-CG2 4.4Å; F298-I316 HydrophobicContact CE2-CD1 4.24Å; F298-I316 HydrophobicContact CE2-CG1 4.48Å; F298-I316 HydrophobicContact CE2-CG2 3.38Å; F298-I316 HydrophobicContact CZ-CB 4.43Å; F298-I316 HydrophobicContact CZ-CD1 3.78Å; F298-I316 HydrophobicContact CZ-CG1 3.92Å; F298-I316 HydrophobicContact CZ-CG2 3.62Å; V314-I316 HydrophobicContact CG1-CD1 4.05Å; V314-I316 HydrophobicContact CG1-CG1 4.09Å; I316-I318 HydrophobicContact CG2-CD1 4Å; I316-I318 HydrophobicContact CG2-CG1 3.74Å; I316-I373 HydrophobicContact CD1-CD1 3.88Å; I316-I373 HydrophobicContact CD1-CG1 4.45Å; I316-D374 PolarHBondContact N-O 3.32Å; I316-I375 HydrophobicContact CB-CG1 4.25Å; I316-I375 HydrophobicContact CD1-CG1 4.49Å; I316-I375 HydrophobicContact CG2-CG2 4.23Å; I316-I375 CarbonylContact O-C 3.53Å; I316-I375 WeakPolarHBondContact O-CA 3.49Å; I316-V376 PolarHBondContact O-N 3.38Å
317L98.6Very high95.8Very high0 Ų049.1 Ų49.10%026%0.261CS..EExtended strand (participates in β ladder)trans-115.2129.6172.7-17965.6000109.8E299 C301 V376 V378 F383 L387E299-L317 HydrophobicContact CB-CB 4.48Å; E299-L317 PolarHBondContact N-O 3.06Å; E299-L317 PolarHBondContact O-N 3.11Å; C301-L317 VanDerWaalsContact SG-CB 3.52Å; L317-V376 CarbonylContact C-O 3.22Å; L317-V376 WeakPolarHBondContact CA-O 3.49Å; L317-V376 HydrophobicContact CD1-CB 4.02Å; L317-V376 HydrophobicContact CD1-CG1 3.84Å; L317-V378 HydrophobicContact CD1-CG1 4.29Å; L317-V378 HydrophobicContact CD1-CG2 3.79Å; L317-F383 HydrophobicContact CD2-CD2 3.78Å; L317-F383 HydrophobicContact CD2-CE2 3.67Å; L317-F383 HydrophobicContact CG-CD2 4.08Å; L317-F383 HydrophobicContact CG-CE2 3.91Å; L317-L387 VanDerWaalsContact CD2-CA 3.48Å; L317-L387 HydrophobicContact CD2-CB 3.86Å; L317-L387 HydrophobicContact CD2-CD1 4.07Å
318I98.5Very high95.4Very high0 Ų050.1 Ų50.10%026%0.263CS..EExtended strand (participates in β ladder)trans-127.4142.1178.8-48.5165.4000109.3V289 C296 I297 F298 I316 L329 L333 I375 V376 V377 V378V289-I318 HydrophobicContact CG1-CG2 4.15Å; V289-I318 HydrophobicContact CG2-CD1 3.63Å; C296-I318 HydrophobicContact CB-CG2 4.32Å; I297-I318 VanDerWaalsContact O-CA 3.29Å; I297-I318 WeakPolarHBondContact O-CA 3.06Å; I297-I318 WeakPolarHBondContact O-CG2 3.49Å; F298-I318 HydrophobicContact CD2-CD1 4.16Å; F298-I318 HydrophobicContact CD2-CG1 3.84Å; F298-I318 HydrophobicContact CE2-CD1 4.35Å; F298-I318 HydrophobicContact CE2-CG1 4.33Å; I316-I318 HydrophobicContact CG2-CD1 4Å; I316-I318 HydrophobicContact CG2-CG1 3.74Å; I318-L329 HydrophobicContact CB-CD2 4.43Å; I318-L329 HydrophobicContact CG2-CD2 3.49Å; I318-L329 VanDerWaalsContact CG2-CD2 3.49Å; I318-L333 HydrophobicContact CD1-CD2 3.73Å; I318-I375 HydrophobicContact CD1-CG2 3.75Å; I318-I375 HydrophobicContact CG1-CG2 4.46Å; I318-V376 PolarHBondContact N-O 3.47Å; I318-V377 HydrophobicContact CB-CG2 4.14Å; I318-V377 HydrophobicContact CD1-CG2 4.35Å; I318-V377 VanDerWaalsContact O-CA 3.3Å; I318-V377 WeakPolarHBondContact O-CA 3.46Å; I318-V378 PolarHBondContact O-N 2.87Å
319T97.5Very high95.4Very high0 Ų046.5 Ų46.50%025%0.246CC..EExtended strand (participates in β ladder)trans-142.1172.2166.8-167.20000110.1I297 V378 F380 F383I297-T319 HydrophobicContact CB-CG2 3.78Å; I297-T319 HydrophobicContact CD1-CG2 4.07Å; I297-T319 HydrophobicContact CG1-CG2 4.39Å; I297-T319 HydrophobicContact CG2-CG2 4.31Å; I297-T319 PolarHBondContact N-O 3.16Å; I297-T319 PolarHBondContact O-N 3.42Å; T319-V378 WeakPolarHBondContact CB-O 3.33Å; T319-V378 PolarHBondContact OG1-O 3.49Å; T319-F380 HydrophobicContact CG2-CD2 3.98Å; T319-F380 VanDerWaalsContact OG1-CA 3.3Å; T319-F380 WeakPolarHBondContact OG1-CA 3.4Å; T319-F380 PolarHBondContact OG1-N 3.11Å; T319-F383 HydrophobicContact CG2-CB 3.9Å; T319-F383 HydrophobicContact CG2-CD1 4.35Å; T319-F383 HydrophobicContact CG2-CD2 3.34Å; T319-F383 HydrophobicContact CG2-CE2 3.85Å; T319-F383 HydrophobicContact CG2-CG 3.62Å
320H97.6Very high95.3Very high1 Ų142.9 Ų42.91%0.00522%0.222CC..  trans-132.4129.5175.5-171.8-80.5000109.9D293 D322 G323 H326D293-H320 IonicContact OD1-NE2 3.7Å; D293-H320 IonicContact OD2-CD2 2.69Å; D293-H320 IonicContact OD2-NE2 2.79Å; D293-H320 PolarHBondContact OD2-NE2 2.94Å; D293-H320 VanDerWaalsContact OD2-NE2 3.1Å; H320-D322 IonicContact CE1-OD1 2.62Å; H320-D322 IonicContact CE1-OD2 3.85Å; H320-D322 PolarHBondContact CE1-OD2 2.89Å; H320-D322 IonicContact CG-OD1 2.74Å; H320-D322 PolarHBondContact ND1-N 3.27Å; H320-D322 IonicContact ND1-OD1 3.04Å; H320-D322 PolarHBondContact ND1-OD1 3.13Å; H320-D322 IonicContact ND1-OD2 3.1Å; H320-D322 PolarHBondContact ND1-OD2 2.76Å; H320-D322 PolarHBondContact O-N 2.85Å; H320-D322 VanDerWaalsContact O-N 3.1Å; H320-G323 PolarHBondContact O-N 2.97Å; H320-G323 VanDerWaalsContact O-N 3.1Å; H320-H326 HydrophobicContact CB-CB 4.2Å
321P95.8Very high95.1Very high58 Ų5839.4 Ų39.438%0.37721%0.211SC..THydrogen-bonded Turntrans-64.2-18.5-169.624.2-34.9000114.8R295 G323 F380R295-P321 HydrophobicContact CB-CG 4.32Å; R295-P321 WeakPolarHBondContact O-CD 3.48Å; P321-G323 PolarHBondContact O-N 2.93Å; P321-F380 HydrophobicContact CB-CD2 4.4Å; P321-F380 HydrophobicContact CB-CE2 4.29Å
322D94.9Very high95Very high63 Ų6342.8 Ų42.834%0.33723%0.228SC..THydrogen-bonded Turntrans-74.7-8.7175.879.3-10.7000114.5H320 I324 S325H320-D322 IonicContact CE1-OD1 2.62Å; H320-D322 IonicContact CE1-OD2 3.85Å; H320-D322 PolarHBondContact CE1-OD2 2.89Å; H320-D322 IonicContact CG-OD1 2.74Å; H320-D322 PolarHBondContact ND1-N 3.27Å; H320-D322 IonicContact ND1-OD1 3.04Å; H320-D322 PolarHBondContact ND1-OD1 3.13Å; H320-D322 IonicContact ND1-OD2 3.1Å; H320-D322 PolarHBondContact ND1-OD2 2.76Å; H320-D322 PolarHBondContact O-N 2.85Å; H320-D322 VanDerWaalsContact O-N 3.1Å; D322-I324 PolarHBondContact O-N 3.46Å; D322-I324 VanDerWaalsContact O-N 3.16Å; D322-I324 PolarHBondContact OD1-N 3.28Å; D322-S325 PolarHBondContact OD1-N 3.4Å; D322-S325 VanDerWaalsContact OD2-CB 3.27Å; D322-S325 WeakPolarHBondContact OD2-CB 3.33Å; D322-S325 PolarHBondContact OD2-N 2.98Å; D322-S325 PolarHBondContact OD2-OG 3.42Å
323G90.3Very high95Very high27 Ų2741.2 Ų41.228%0.27821%0.213SC..SBendtrans67.47-177.400000115.8H320 P321 H326H320-G323 PolarHBondContact O-N 2.97Å; H320-G323 VanDerWaalsContact O-N 3.1Å; P321-G323 PolarHBondContact O-N 2.93Å; G323-H326 PolarHBondContact O-CE1 2.94Å; G323-H326 PolarHBondContact O-ND1 3.32Å
324I92.4Very high95Very high117 Ų11739.9 Ų39.960%0.621%0.205SC*.SBendtrans-127.6-49.4-174.9-59.6171.6000111.7D322 H326 R327D322-I324 PolarHBondContact O-N 3.46Å; D322-I324 VanDerWaalsContact O-N 3.16Å; D322-I324 PolarHBondContact OD1-N 3.28Å; I324-H326 PolarHBondContact O-N 2.9Å; I324-H326 VanDerWaalsContact O-N 3.15Å; I324-R327 WeakPolarHBondContact O-CB 3.31Å; I324-R327 WeakPolarHBondContact O-CG 3.44Å; I324-R327 PolarHBondContact O-N 3.32Å; I324-R327 VanDerWaalsContact O-N 3.15Å
325S93.2Very high94.8Very high51 Ų5145.2 Ų45.236%0.35723%0.23SC..THydrogen-bonded Turntrans-65.9-20.2-171.1-66.30000113.5D322 R327D322-S325 PolarHBondContact OD1-N 3.4Å; D322-S325 VanDerWaalsContact OD2-CB 3.27Å; D322-S325 WeakPolarHBondContact OD2-CB 3.33Å; D322-S325 PolarHBondContact OD2-N 2.98Å; D322-S325 PolarHBondContact OD2-OG 3.42Å; S325-R327 PolarHBondContact O-N 3.47Å; S325-R327 VanDerWaalsContact O-N 3.17Å
326H92.7Very high94.8Very high15 Ų1547.8 Ų47.87%0.06924%0.238CC..Hα-helixtrans-56.6-29.9173.473.4-91.4000113.2H320 G323 I324 K328 L329 V377H320-H326 HydrophobicContact CB-CB 4.2Å; G323-H326 PolarHBondContact O-CE1 2.94Å; G323-H326 PolarHBondContact O-ND1 3.32Å; I324-H326 PolarHBondContact O-N 2.9Å; I324-H326 VanDerWaalsContact O-N 3.15Å; H326-K328 VanDerWaalsContact C-N 3.31Å; H326-K328 PolarHBondContact O-N 3.4Å; H326-L329 WeakPolarHBondContact O-CB 3.24Å; H326-L329 PolarHBondContact O-N 3.34Å; H326-V377 HydrophobicContact CB-CG1 3.87Å; H326-V377 WeakPolarHBondContact O-CG1 3.41Å
327R90.3Very high94.7Very high171 Ų17147.6 Ų47.665%0.64524%0.237SC*.Hα-helixtrans-63.4-30.7-172.1-66.2175.9-178.1-100.4-1.2114.5I324 S325I324-R327 WeakPolarHBondContact O-CB 3.31Å; I324-R327 WeakPolarHBondContact O-CG 3.44Å; I324-R327 PolarHBondContact O-N 3.32Å; I324-R327 VanDerWaalsContact O-N 3.15Å; S325-R327 PolarHBondContact O-N 3.47Å; S325-R327 VanDerWaalsContact O-N 3.17Å
328K87.5Confident94.7Very high178 Ų17849.1 Ų49.177%0.77425%0.247SC*.Hα-helixtrans-105-4.8-178.1-63.6-178.3-177.6176.20113H326H326-K328 VanDerWaalsContact C-N 3.31Å; H326-K328 PolarHBondContact O-N 3.4Å
329L93.9Very high94.6Very high8 Ų854.9 Ų54.94%0.04228%0.278CS..Hα-helixtrans-68.1-48.7-171.4-177.264000111.8I292 I318 H326 L332 L333 V377I292-L329 HydrophobicContact CB-CD1 4.25Å; I292-L329 HydrophobicContact CD1-CD1 4.14Å; I292-L329 HydrophobicContact CG2-CD1 3.74Å; I318-L329 HydrophobicContact CB-CD2 4.43Å; I318-L329 HydrophobicContact CG2-CD2 3.49Å; I318-L329 VanDerWaalsContact CG2-CD2 3.49Å; H326-L329 WeakPolarHBondContact O-CB 3.24Å; H326-L329 PolarHBondContact O-N 3.34Å; L329-L332 PolarHBondContact O-N 3.42Å; L329-L333 VanDerWaalsContact O-CB 3.3Å; L329-L333 WeakPolarHBondContact O-CB 3.44Å; L329-L333 PolarHBondContact O-N 2.99Å; L329-V377 HydrophobicContact CB-CG1 4.43Å; L329-V377 HydrophobicContact CD2-CG1 4.32Å
330L95.3Very high94.6Very high1 Ų160.4 Ų60.41%0.00530%0.302CS..Hα-helixtrans-63.2-49.7-171.5-174.958.5000113.4L332 L333 V334 V354 I375 V377L330-L332 VanDerWaalsContact C-N 3.3Å; L330-L332 PolarHBondContact O-N 2.63Å; L330-L333 PolarHBondContact O-N 2.98Å; L330-V334 HydrophobicContact CD1-CG2 3.83Å; L330-V334 HydrophobicContact CG-CG2 4.31Å; L330-V334 WeakPolarHBondContact O-CB 3.26Å; L330-V334 VanDerWaalsContact O-CG2 3.27Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 3.06Å; L330-V354 HydrophobicContact CD2-CG2 4.21Å; L330-I375 HydrophobicContact CD1-CB 4.08Å; L330-I375 HydrophobicContact CD1-CG2 3.74Å; L330-V377 HydrophobicContact CB-CB 4.22Å; L330-V377 HydrophobicContact CB-CG2 3.68Å; L330-V377 HydrophobicContact CD1-CG2 3.96Å; L330-V377 HydrophobicContact CD2-CG2 4.28Å; L330-V377 HydrophobicContact CG-CG2 4.18Å
331P93.5Very high94.5Very high38 Ų3862.7 Ų62.725%0.24733%0.326CS..Hα-helixtrans-60.7-39.3178.2-24.135.5000112.8Q335P331-Q335 WeakPolarHBondContact O-CB 3.12Å; P331-Q335 PolarHBondContact O-N 3.19Å
332L94Very high94.6Very high72 Ų7262.9 Ų62.938%0.37732%0.32SS..Hα-helixtrans-66.6-45.3178.1178.561.8000111.8I292 L329 L330 Q335 R336I292-L332 HydrophobicContact CD1-CD2 4.28Å; I292-L332 HydrophobicContact CD1-CG 4.22Å; I292-L332 HydrophobicContact CG1-CD2 4.37Å; I292-L332 HydrophobicContact CG2-CD2 3.95Å; L329-L332 PolarHBondContact O-N 3.42Å; L330-L332 VanDerWaalsContact C-N 3.3Å; L330-L332 PolarHBondContact O-N 2.63Å; L332-Q335 PolarHBondContact O-N 2.86Å; L332-R336 HydrophobicContact CD1-CG 4.23Å; L332-R336 WeakPolarHBondContact O-CG 3.44Å; L332-R336 PolarHBondContact O-N 2.95Å
333L96.7Very high94.7Very high0 Ų060.3 Ų60.30%031%0.306CS..Hα-helixtrans-60.2-48.6177.6176.964.5000111.2V285 E288 V289 I292 I318 L329 L330 Q335 R336 L337 I375V285-L333 HydrophobicContact CG1-CD1 4.5Å; V285-L333 HydrophobicContact CG1-CD2 4.16Å; E288-L333 HydrophobicContact CB-CD1 3.84Å; E288-L333 HydrophobicContact CG-CD1 3.63Å; V289-L333 HydrophobicContact CG2-CD1 3.74Å; V289-L333 HydrophobicContact CG2-CD2 3.63Å; V289-L333 HydrophobicContact CG2-CG 4.31Å; I292-L333 HydrophobicContact CD1-CB 4.24Å; I292-L333 HydrophobicContact CD1-CD1 4.23Å; I318-L333 HydrophobicContact CD1-CD2 3.73Å; L329-L333 VanDerWaalsContact O-CB 3.3Å; L329-L333 WeakPolarHBondContact O-CB 3.44Å; L329-L333 PolarHBondContact O-N 2.99Å; L330-L333 PolarHBondContact O-N 2.98Å; L333-Q335 VanDerWaalsContact C-N 3.34Å; L333-Q335 PolarHBondContact O-N 3.19Å; L333-R336 PolarHBondContact O-N 3.34Å; L333-L337 HydrophobicContact CD1-CD1 3.77Å; L333-L337 HydrophobicContact CD1-CG 4.24Å; L333-L337 HydrophobicContact CG-CD1 4Å; L333-L337 WeakPolarHBondContact O-CG 3.47Å; L333-L337 PolarHBondContact O-N 2.98Å; L333-I375 HydrophobicContact CD2-CD1 4.26Å; L333-I375 HydrophobicContact CD2-CG2 4.46Å
334V96.2Very high95.1Very high3 Ų361.4 Ų61.42%0.01831%0.307CS..Hα-helixtrans-62.1-44.1179.5173.40000110.7L330 S338 F343 Y357L330-V334 HydrophobicContact CD1-CG2 3.83Å; L330-V334 HydrophobicContact CG-CG2 4.31Å; L330-V334 WeakPolarHBondContact O-CB 3.26Å; L330-V334 VanDerWaalsContact O-CG2 3.27Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 3.06Å; V334-S338 WeakPolarHBondContact O-CB 3.45Å; V334-S338 PolarHBondContact O-N 3.42Å; V334-S338 PolarHBondContact O-OG 3.3Å; V334-F343 HydrophobicContact CB-CE2 4.41Å; V334-F343 HydrophobicContact CG1-CD2 4.14Å; V334-F343 HydrophobicContact CG1-CE2 4.4Å; V334-F343 HydrophobicContact CG2-CE2 4.15Å; V334-Y357 HydrophobicContact CG1-CD2 4.11Å; V334-Y357 HydrophobicContact CG1-CE2 3.8Å; V334-Y357 HydrophobicContact CG2-CD1 3.86Å; V334-Y357 HydrophobicContact CG2-CD2 3.82Å; V334-Y357 HydrophobicContact CG2-CE1 4.21Å; V334-Y357 HydrophobicContact CG2-CE2 4.21Å; V334-Y357 HydrophobicContact CG2-CG 3.63Å
335Q94.9Very high95.3Very high113 Ų11357.2 Ų57.253%0.52829%0.286SS..Hα-helixtrans-57.2-53.1175.1-178-176.9-8.600111.1P331 L332 L333 L337 S338 D339P331-Q335 WeakPolarHBondContact O-CB 3.12Å; P331-Q335 PolarHBondContact O-N 3.19Å; L332-Q335 PolarHBondContact O-N 2.86Å; L333-Q335 VanDerWaalsContact C-N 3.34Å; L333-Q335 PolarHBondContact O-N 3.19Å; Q335-L337 PolarHBondContact O-N 2.9Å; Q335-S338 PolarHBondContact O-N 2.75Å; Q335-S338 VanDerWaalsContact O-N 3.13Å; Q335-D339 VanDerWaalsContact O-CG 3.23Å; Q335-D339 PolarHBondContact O-N 3.4Å
336R97.6Very high95.5Very high83 Ų8357.5 Ų57.531%0.31328%0.281SS..Hα-helixtrans-62.2-39.1-176.6-70.817862.3166.2-14113E288 S291 L332 L333 K340E288-R336 HydrophobicContact CG-CB 4.38Å; E288-R336 WeakPolarHBondContact OE1-CB 3.36Å; E288-R336 IonicContact OE1-CZ 3.46Å; E288-R336 IonicContact OE1-NE 3.64Å; E288-R336 PolarHBondContact OE1-NE 2.87Å; E288-R336 IonicContact OE1-NH2 3.45Å; E288-R336 PolarHBondContact OE1-NH2 3.38Å; S291-R336 PolarHBondContact OG-NH2 3.47Å; L332-R336 HydrophobicContact CD1-CG 4.23Å; L332-R336 WeakPolarHBondContact O-CG 3.44Å; L332-R336 PolarHBondContact O-N 2.95Å; L333-R336 PolarHBondContact O-N 3.34Å; R336-K340 VanDerWaalsContact O-CG 3.3Å; R336-K340 WeakPolarHBondContact O-CG 2.99Å; R336-K340 PolarHBondContact O-N 2.93Å; R336-K340 VanDerWaalsContact O-N 3.17Å
337L98Very high95.6Very high1 Ų157 Ų571%0.00528%0.279CS..Hα-helixtrans-73.1-28.9176.7-70.1172.1000113.1I284 V285 E288 L333 Q335 G341 Y342 F343I284-L337 HydrophobicContact CG2-CD2 4.28Å; V285-L337 HydrophobicContact CB-CD1 4.45Å; V285-L337 HydrophobicContact CG1-CD1 4.07Å; V285-L337 HydrophobicContact CG2-CD1 4.08Å; E288-L337 HydrophobicContact CB-CD2 3.97Å; E288-L337 HydrophobicContact CB-CG 4.41Å; E288-L337 HydrophobicContact CG-CD2 3.98Å; E288-L337 HydrophobicContact CG-CG 4.09Å; L333-L337 HydrophobicContact CD1-CD1 3.77Å; L333-L337 HydrophobicContact CD1-CG 4.24Å; L333-L337 HydrophobicContact CG-CD1 4Å; L333-L337 WeakPolarHBondContact O-CG 3.47Å; L333-L337 PolarHBondContact O-N 2.98Å; Q335-L337 PolarHBondContact O-N 2.9Å; L337-G341 PolarHBondContact O-N 3.01Å; L337-Y342 HydrophobicContact CD2-CD2 4.11Å; L337-Y342 WeakPolarHBondContact O-CB 3.35Å; L337-Y342 PolarHBondContact O-N 3.24Å; L337-F343 HydrophobicContact CB-CD1 4.16Å; L337-F343 HydrophobicContact CB-CD2 3.77Å; L337-F343 HydrophobicContact CB-CE1 4.19Å; L337-F343 HydrophobicContact CB-CE2 3.81Å; L337-F343 HydrophobicContact CB-CG 3.95Å; L337-F343 HydrophobicContact CB-CZ 4.02Å; L337-F343 HydrophobicContact CD1-CE1 3.83Å; L337-F343 HydrophobicContact CD1-CE2 3.72Å; L337-F343 HydrophobicContact CD1-CZ 3.32Å; L337-F343 HydrophobicContact CG-CE2 4.41Å; L337-F343 HydrophobicContact CG-CZ 4.3Å; L337-F343 PolarHBondContact O-N 3.12Å; L337-F343 VanDerWaalsContact O-N 3.17Å
338S97Very high95.7Very high31 Ų3150.5 Ų50.522%0.21726%0.259CS..Hα-helixtrans-73-44173.4-50.70000111.2V334 Q335 K340 G341 H346V334-S338 WeakPolarHBondContact O-CB 3.45Å; V334-S338 PolarHBondContact O-N 3.42Å; V334-S338 PolarHBondContact O-OG 3.3Å; Q335-S338 PolarHBondContact O-N 2.75Å; Q335-S338 VanDerWaalsContact O-N 3.13Å; S338-K340 PolarHBondContact O-N 3.04Å; S338-G341 WeakPolarHBondContact O-CA 3.33Å; S338-G341 PolarHBondContact O-N 3.32Å; S338-H346 PolarHBondContact OG-CE1 2.84Å; S338-H346 VanDerWaalsContact OG-CE1 3.26Å
339D97.4Very high95.5Very high121 Ų12148.4 Ų48.465%0.64725%0.252SS*.Hα-helixtrans-61.9-31.6177.8-67.8-16.9000111.7Q335 G341Q335-D339 VanDerWaalsContact O-CG 3.23Å; Q335-D339 PolarHBondContact O-N 3.4Å; D339-G341 VanDerWaalsContact C-N 3.28Å
340K97.2Very high94.5Very high117 Ų11752.1 Ų52.151%0.50927%0.269SS..THydrogen-bonded Turntrans-79.6-4172.9-71.3179.8178.7-169.10114.2E288 R336 S338 Y342E288-K340 IonicContact OE1-NZ 3.6Å; E288-K340 IonicContact OE2-NZ 3.95Å; E288-K340 PolarHBondContact OE2-NZ 2.84Å; R336-K340 VanDerWaalsContact O-CG 3.3Å; R336-K340 WeakPolarHBondContact O-CG 2.99Å; R336-K340 PolarHBondContact O-N 2.93Å; R336-K340 VanDerWaalsContact O-N 3.17Å; S338-K340 PolarHBondContact O-N 3.04Å; K340-Y342 VanDerWaalsContact C-N 3.28Å; K340-Y342 HydrophobicContact CB-CD2 3.54Å; K340-Y342 HydrophobicContact CB-CE2 3.82Å; K340-Y342 HydrophobicContact CD-CD2 4.23Å; K340-Y342 HydrophobicContact CD-CE2 4.05Å; K340-Y342 PolarHBondContact O-N 3.37Å
341G96.3Very high93.6Very high49 Ų4958 Ų5851%0.50529%0.294SS..THydrogen-bonded Turntrans77.24.6-178.900000115.4L337 S338 D339L337-G341 PolarHBondContact O-N 3.01Å; S338-G341 WeakPolarHBondContact O-CA 3.33Å; S338-G341 PolarHBondContact O-N 3.32Å; D339-G341 VanDerWaalsContact C-N 3.28Å
342Y97.3Very high92.2Very high61 Ų6167 Ų6724%0.23932%0.323CS..  trans-72.4-38.7177.8-71.7-67.5000112.2I284 L337 K340 C361 C362 P364I284-Y342 HydrophobicContact CD1-CD1 4.2Å; I284-Y342 HydrophobicContact CD1-CE1 3.77Å; I284-Y342 HydrophobicContact CG2-CD1 4.05Å; I284-Y342 HydrophobicContact CG2-CD2 4.04Å; I284-Y342 HydrophobicContact CG2-CE1 3.99Å; I284-Y342 HydrophobicContact CG2-CE2 3.98Å; I284-Y342 HydrophobicContact CG2-CG 4.08Å; L337-Y342 HydrophobicContact CD2-CD2 4.11Å; L337-Y342 WeakPolarHBondContact O-CB 3.35Å; L337-Y342 PolarHBondContact O-N 3.24Å; K340-Y342 VanDerWaalsContact C-N 3.28Å; K340-Y342 HydrophobicContact CB-CD2 3.54Å; K340-Y342 HydrophobicContact CB-CE2 3.82Å; K340-Y342 HydrophobicContact CD-CD2 4.23Å; K340-Y342 HydrophobicContact CD-CE2 4.05Å; K340-Y342 PolarHBondContact O-N 3.37Å; Y342-C361 CarbonylContact O-C 3.6Å; Y342-C361 WeakPolarHBondContact O-CA 3.37Å; Y342-C361 WeakPolarHBondContact O-CB 3.09Å; Y342-C362 PolarHBondContact O-N 2.95Å; Y342-P364 HydrophobicContact CE1-CB 3.92Å; Y342-P364 HydrophobicContact CE1-CG 3.82Å
343F97.7Very high91.1Very high10 Ų1071 Ų714%0.04435%0.345CS..EExtended strand (participates in β ladder)trans-91.9115.6171.3-69.8-6.5000109.6V334 L337 Y357 V360 C361 I373 I375V334-F343 HydrophobicContact CB-CE2 4.41Å; V334-F343 HydrophobicContact CG1-CD2 4.14Å; V334-F343 HydrophobicContact CG1-CE2 4.4Å; V334-F343 HydrophobicContact CG2-CE2 4.15Å; L337-F343 HydrophobicContact CB-CD1 4.16Å; L337-F343 HydrophobicContact CB-CD2 3.77Å; L337-F343 HydrophobicContact CB-CE1 4.19Å; L337-F343 HydrophobicContact CB-CE2 3.81Å; L337-F343 HydrophobicContact CB-CG 3.95Å; L337-F343 HydrophobicContact CB-CZ 4.02Å; L337-F343 HydrophobicContact CD1-CE1 3.83Å; L337-F343 HydrophobicContact CD1-CE2 3.72Å; L337-F343 HydrophobicContact CD1-CZ 3.32Å; L337-F343 HydrophobicContact CG-CE2 4.41Å; L337-F343 HydrophobicContact CG-CZ 4.3Å; L337-F343 PolarHBondContact O-N 3.12Å; L337-F343 VanDerWaalsContact O-N 3.17Å; F343-Y357 AromaticContact CD2-CE1 3.69Å; F343-Y357 HydrophobicContact CD2-CE1 3.69Å; F343-Y357 AromaticContact CD2-CZ 3.75Å; F343-Y357 WeakPolarHBondContact CD2-OH 3.32Å; F343-Y357 HydrophobicContact CE2-CD1 4.1Å; F343-Y357 AromaticContact CE2-CE1 3.37Å; F343-Y357 HydrophobicContact CE2-CE1 3.37Å; F343-Y357 AromaticContact CE2-CZ 3.91Å; F343-Y357 HydrophobicContact CG-CE1 4.41Å; F343-Y357 AromaticContact CZ-CE1 3.86Å; F343-Y357 HydrophobicContact CZ-CE1 3.86Å; F343-V360 CarbonylContact C-O 3.58Å; F343-V360 WeakPolarHBondContact CA-O 3.22Å; F343-C361 HydrophobicContact CD1-CB 3.79Å; F343-C361 HydrophobicContact CE1-CB 4.02Å; F343-I373 HydrophobicContact CE1-CD1 4.14Å; F343-I373 HydrophobicContact CE1-CG2 4.16Å; F343-I373 HydrophobicContact CZ-CD1 4.43Å; F343-I375 HydrophobicContact CE2-CD1 4.32Å; F343-I375 HydrophobicContact CZ-CD1 3.73Å
344T97.1Very high90.3Very high50 Ų5072.7 Ų72.731%0.30736%0.355SS..EExtended strand (participates in β ladder)trans-98.7-30.4-170.249.20000112.9V360 C362 H370T344-V360 PolarHBondContact N-O 3.49Å; T344-V360 PolarHBondContact OG1-O 3.26Å; T344-C362 HydrophobicContact CG2-CB 4.07Å; T344-H370 PolarHBondContact OG1-CD2 3.17Å
345D97.6Very high90Very high28 Ų2877.1 Ų77.115%0.1538%0.376CS..EExtended strand (participates in β ladder)trans-149.4156.1176.6-91.6-77.4000110.7V261 K264 Y265 V360V261-D345 HydrophobicContact CG1-CB 3.83Å; V261-D345 HydrophobicContact CG2-CB 4.2Å; K264-D345 IonicContact NZ-OD2 3.08Å; K264-D345 PolarHBondContact NZ-OD2 3.23Å; Y265-D345 HydrophobicContact CE2-CB 4.06Å; Y265-D345 WeakPolarHBondContact CE2-OD2 3.42Å; Y265-D345 PolarHBondContact OH-OD2 3.32Å; D345-V360 HydrophobicContact CB-CB 4.01Å; D345-V360 HydrophobicContact CB-CG2 3.82Å; D345-V360 PolarHBondContact O-N 3.09Å
346H96.7Very high89.9Confident58 Ų5875.1 Ų75.127%0.26937%0.365SS..EExtended strand (participates in β ladder)trans-116.8136.9-177.2-53.5-57.4000111.3H257 S338 Y357H257-H346 PolarHBondContact CD2-O 3.31Å; H257-H346 PolarHBondContact NE2-O 2.98Å; S338-H346 PolarHBondContact OG-CE1 2.84Å; S338-H346 VanDerWaalsContact OG-CE1 3.26Å; H346-Y357 HydrophobicContact CB-CE2 4.38Å; H346-Y357 AromaticContact ND1-CE2 3.56Å; H346-Y357 AromaticContact ND1-CZ 3.65Å; H346-Y357 PolarHBondContact ND1-OH 3.19Å
347L95.5Very high89.9Confident5 Ų571.2 Ų71.23%0.02635%0.35CS..SBendtrans-107.4-12.9177.7-57.1172.3000112.1W228 Q258 V261 M358 V360W228-L347 HydrophobicContact CD2-CD1 4.39Å; W228-L347 HydrophobicContact CE3-CD1 4.13Å; W228-L347 HydrophobicContact CE3-CD2 4.02Å; W228-L347 HydrophobicContact CH2-CB 3.89Å; W228-L347 HydrophobicContact CH2-CD1 3.65Å; W228-L347 HydrophobicContact CH2-CD2 4.22Å; W228-L347 HydrophobicContact CH2-CG 4.12Å; W228-L347 HydrophobicContact CZ2-CD1 3.9Å; W228-L347 HydrophobicContact CZ3-CB 4.08Å; W228-L347 HydrophobicContact CZ3-CD1 3.76Å; W228-L347 HydrophobicContact CZ3-CD2 3.59Å; W228-L347 HydrophobicContact CZ3-CG 4Å; Q258-L347 WeakPolarHBondContact CG-O 3.43Å; Q258-L347 PolarHBondContact NE2-O 3.28Å; V261-L347 HydrophobicContact CB-CD2 3.7Å; V261-L347 HydrophobicContact CG1-CD2 3.58Å; V261-L347 HydrophobicContact CG2-CD2 4.25Å; L347-M358 CarbonylContact C-O 3.57Å; L347-M358 WeakPolarHBondContact CA-O 3.43Å; L347-M358 HydrophobicContact CB-CB 3.9Å; L347-M358 WeakPolarHBondContact CB-O 3.28Å; L347-M358 PolarHBondContact N-O 2.98Å; L347-V360 HydrophobicContact CD1-CG2 4.44Å; L347-V360 HydrophobicContact CG-CG2 4.45Å
348T92.6Very high89.9Confident34 Ų3473 Ų7321%0.20936%0.359CS..SBendtrans-117.3144.2171.4470000111.7Y357 M358T348-Y357 WeakPolarHBondContact OG1-CA 3.09Å; T348-Y357 VanDerWaalsContact OG1-CD2 3.3Å; T348-Y357 WeakPolarHBondContact OG1-CD2 3.5Å; T348-M358 HydrophobicContact CG2-CB 3.84Å; T348-M358 HydrophobicContact CG2-CG 3.78Å; T348-M358 HydrophobicContact CG2-SD 4.29Å; T348-M358 PolarHBondContact N-O 3.33Å; T348-M358 VanDerWaalsContact N-O 3.1Å; T348-M358 PolarHBondContact OG1-N 3.42Å; T348-M358 PolarHBondContact OG1-O 2.87Å
349E83.9Confident89.9Confident134 Ų13471.5 Ų71.563%0.62635%0.349SS*.  trans-68133.2173-65.4177.417700111.4K351E349-K351 PolarHBondContact O-N 3.01Å; E349-K351 WeakPolarHBondContact OE2-CE 3.45Å; E349-K351 IonicContact OE2-NZ 2.63Å; E349-K351 PolarHBondContact OE2-NZ 3.22Å
350Q73Confident90Very high86 Ų8665.7 Ų65.740%0.40232%0.318SS..  trans-76.390.3176.7-55.4-56.3-28.600110.8
351K75.9Confident90Very high125 Ų12560.3 Ų60.354%0.54330%0.295SS..  trans-106.5158.2173.4-67.1173.9-178.5156.60110.6E349 D353 V354E349-K351 PolarHBondContact O-N 3.01Å; E349-K351 WeakPolarHBondContact OE2-CE 3.45Å; E349-K351 IonicContact OE2-NZ 2.63Å; E349-K351 PolarHBondContact OE2-NZ 3.22Å; K351-D353 VanDerWaalsContact C-N 3.26Å; K351-D353 PolarHBondContact O-N 3.15Å; K351-V354 HydrophobicContact CB-CG1 3.86Å; K351-V354 WeakPolarHBondContact O-CG2 3.25Å
352R64.4Low90.1Very high227 Ų22759.1 Ų59.186%0.85728%0.278SS*.THydrogen-bonded Turntrans-64.2-24.5-174.3-69.6-175.6-179.8-179.9-0.6114.7
353D69.8Low90.1Very high154 Ų15457 Ų5782%0.82427%0.271SS*.THydrogen-bonded Turntrans-120.641.2-175.9-61.8-47.6000113K351K351-D353 VanDerWaalsContact C-N 3.26Å; K351-D353 PolarHBondContact O-N 3.15Å
354V80.1Confident90Very high36 Ų3661 Ų6122%0.21830%0.298CS..  trans-90.5131174.2-63.30000110.7L330 K351L330-V354 HydrophobicContact CD2-CG2 4.21Å; K351-V354 HydrophobicContact CB-CG1 3.86Å; K351-V354 WeakPolarHBondContact O-CG2 3.25Å
355H89.3Confident89.9Confident97 Ų9765.1 Ų65.145%0.44931%0.314SS..SBendtrans-100.2-3.8173.261.5-86.4000112.1V376 V377H355-V376 CarbonylContact O-C 3.45Å; H355-V376 WeakPolarHBondContact O-CA 3.03Å; H355-V377 WeakPolarHBondContact CB-O 3.34Å; H355-V377 PolarHBondContact O-N 3.4Å
356K94.4Very high89.6Confident71 Ų7172.9 Ų72.931%0.30935%0.349SS..EExtended strand (participates in β ladder)trans-137131.7178.1179.4168.2179.2163.50110.1M358 D374 I375 V376K356-M358 HydrophobicContact CD-CG 4.49Å; K356-M358 VanDerWaalsContact CE-CG 3.46Å; K356-M358 HydrophobicContact CG-CG 4.43Å; K356-D374 WeakPolarHBondContact CE-OD2 3.31Å; K356-D374 IonicContact NZ-OD2 3.69Å; K356-D374 PolarHBondContact NZ-OD2 3.3Å; K356-I375 CarbonylContact C-O 3.47Å; K356-I375 WeakPolarHBondContact CA-O 3.39Å; K356-V376 HydrophobicContact CB-CG2 4.34Å; K356-V376 HydrophobicContact CD-CG2 4.11Å; K356-V376 HydrophobicContact CG-CG2 4.02Å
357Y96.8Very high89.5Confident0 Ų073.6 Ų73.60%037%0.372CS..EExtended strand (participates in β ladder)trans-115.9137170.2169.7-108.7000108.5V334 F343 H346 T348 I373 D374 I375V334-Y357 HydrophobicContact CG1-CD2 4.11Å; V334-Y357 HydrophobicContact CG1-CE2 3.8Å; V334-Y357 HydrophobicContact CG2-CD1 3.86Å; V334-Y357 HydrophobicContact CG2-CD2 3.82Å; V334-Y357 HydrophobicContact CG2-CE1 4.21Å; V334-Y357 HydrophobicContact CG2-CE2 4.21Å; V334-Y357 HydrophobicContact CG2-CG 3.63Å; F343-Y357 AromaticContact CD2-CE1 3.69Å; F343-Y357 HydrophobicContact CD2-CE1 3.69Å; F343-Y357 AromaticContact CD2-CZ 3.75Å; F343-Y357 WeakPolarHBondContact CD2-OH 3.32Å; F343-Y357 HydrophobicContact CE2-CD1 4.1Å; F343-Y357 AromaticContact CE2-CE1 3.37Å; F343-Y357 HydrophobicContact CE2-CE1 3.37Å; F343-Y357 AromaticContact CE2-CZ 3.91Å; F343-Y357 HydrophobicContact CG-CE1 4.41Å; F343-Y357 AromaticContact CZ-CE1 3.86Å; F343-Y357 HydrophobicContact CZ-CE1 3.86Å; H346-Y357 HydrophobicContact CB-CE2 4.38Å; H346-Y357 AromaticContact ND1-CE2 3.56Å; H346-Y357 AromaticContact ND1-CZ 3.65Å; H346-Y357 PolarHBondContact ND1-OH 3.19Å; T348-Y357 WeakPolarHBondContact OG1-CA 3.09Å; T348-Y357 VanDerWaalsContact OG1-CD2 3.3Å; T348-Y357 WeakPolarHBondContact OG1-CD2 3.5Å; Y357-I373 HydrophobicContact CE1-CG2 4.37Å; Y357-D374 WeakPolarHBondContact O-CA 3.46Å; Y357-I375 HydrophobicContact CD1-CB 4.39Å; Y357-I375 HydrophobicContact CD1-CD1 4.25Å; Y357-I375 HydrophobicContact CD1-CG1 4.24Å; Y357-I375 PolarHBondContact N-O 3.23Å; Y357-I375 PolarHBondContact O-N 2.72Å
358M97.5Very high89.6Confident38 Ų3874.6 Ų74.619%0.18738%0.379CS..EExtended strand (participates in β ladder)trans-123.7134.5166.4-51.317668.200107W228 L347 T348 K356 I373 D374W228-M358 HydrophobicContact CH2-CE 4.18Å; W228-M358 HydrophobicContact CZ2-CE 3.67Å; L347-M358 CarbonylContact C-O 3.57Å; L347-M358 WeakPolarHBondContact CA-O 3.43Å; L347-M358 HydrophobicContact CB-CB 3.9Å; L347-M358 WeakPolarHBondContact CB-O 3.28Å; L347-M358 PolarHBondContact N-O 2.98Å; T348-M358 HydrophobicContact CG2-CB 3.84Å; T348-M358 HydrophobicContact CG2-CG 3.78Å; T348-M358 HydrophobicContact CG2-SD 4.29Å; T348-M358 PolarHBondContact N-O 3.33Å; T348-M358 VanDerWaalsContact N-O 3.1Å; T348-M358 PolarHBondContact OG1-N 3.42Å; T348-M358 PolarHBondContact OG1-O 2.87Å; K356-M358 HydrophobicContact CD-CG 4.49Å; K356-M358 VanDerWaalsContact CE-CG 3.46Å; K356-M358 HydrophobicContact CG-CG 4.43Å; M358-I373 WeakPolarHBondContact CA-O 3.21Å; M358-D374 WeakPolarHBondContact CB-OD1 3.09Å; M358-D374 WeakPolarHBondContact CE-OD1 3.37Å; M358-D374 VanDerWaalsContact CG-OD1 3.31Å; M358-D374 WeakPolarHBondContact CG-OD1 3.38Å
359G97.7Very high89.8Confident0 Ų075.1 Ų75.10%038%0.381CS..EExtended strand (participates in β ladder)trans-159.1-167.6-177.100000113.4R372 I373G359-R372 WeakPolarHBondContact O-CA 3.43Å; G359-I373 PolarHBondContact N-O 2.96Å; G359-I373 PolarHBondContact O-N 2.75Å
360V98.6Very high90.5Very high0 Ų070.5 Ų70.50%036%0.359CS..EExtended strand (participates in β ladder)trans-124129.9177.9-169.20000107.9V261 Y265 F269 F343 T344 D345 L347 H370 R371V261-V360 HydrophobicContact CG1-CG2 3.68Å; Y265-V360 HydrophobicContact CD2-CG1 4.16Å; Y265-V360 HydrophobicContact CD2-CG2 4.35Å; Y265-V360 HydrophobicContact CE2-CG1 4.1Å; Y265-V360 HydrophobicContact CE2-CG2 4.44Å; F269-V360 HydrophobicContact CE1-CG1 4.01Å; F269-V360 HydrophobicContact CE1-CG2 4.42Å; F269-V360 HydrophobicContact CZ-CG1 4.09Å; F269-V360 HydrophobicContact CZ-CG2 3.71Å; F343-V360 CarbonylContact C-O 3.58Å; F343-V360 WeakPolarHBondContact CA-O 3.22Å; T344-V360 PolarHBondContact N-O 3.49Å; T344-V360 PolarHBondContact OG1-O 3.26Å; D345-V360 HydrophobicContact CB-CB 4.01Å; D345-V360 HydrophobicContact CB-CG2 3.82Å; D345-V360 PolarHBondContact O-N 3.09Å; L347-V360 HydrophobicContact CD1-CG2 4.44Å; L347-V360 HydrophobicContact CG-CG2 4.45Å; V360-H370 HydrophobicContact CG1-CB 3.71Å; V360-R371 CarbonylContact C-O 3.55Å; V360-R371 WeakPolarHBondContact CA-O 3.46Å
361C98.4Very high91.7Very high4 Ų466.9 Ų66.93%0.02734%0.342CS..EExtended strand (participates in β ladder)trans-120.8157.7174.6630000111.3Y342 F343 H370 R371 I373Y342-C361 CarbonylContact O-C 3.6Å; Y342-C361 WeakPolarHBondContact O-CA 3.37Å; Y342-C361 WeakPolarHBondContact O-CB 3.09Å; F343-C361 HydrophobicContact CD1-CB 3.79Å; F343-C361 HydrophobicContact CE1-CB 4.02Å; C361-H370 CarbonylContact O-C 3.59Å; C361-H370 WeakPolarHBondContact O-CA 3.34Å; C361-R371 PolarHBondContact N-O 3.03Å; C361-R371 PolarHBondContact O-N 3Å; C361-I373 HydrophobicContact CB-CG2 4.02Å
362C98.1Very high92.8Very high23 Ų2362.6 Ų62.616%0.15532%0.322CS..  trans-136.1139.9172.1-164.20000109.2Y342 T344 S368Y342-C362 PolarHBondContact O-N 2.95Å; T344-C362 HydrophobicContact CG2-CB 4.07Å; C362-S368 VanDerWaalsContact SG-CB 3.58Å; C362-S368 PolarHBondContact SG-O 3.44Å; C362-S368 VanDerWaalsContact SG-O 3.38Å
363L98.1Very high94.4Very high17 Ų1751.8 Ų51.89%0.08928%0.282CS..  trans-66.2150.9168.9-74.2176.3000109.4E277 Q280 I281 I284 E365 S368E277-L363 HydrophobicContact CG-CD1 3.84Å; Q280-L363 HydrophobicContact CB-CD1 4.1Å; Q280-L363 HydrophobicContact CB-CD2 4.06Å; I281-L363 HydrophobicContact CG1-CD1 4.32Å; I281-L363 HydrophobicContact CG1-CD2 3.74Å; I281-L363 HydrophobicContact CG1-CG 3.81Å; I284-L363 HydrophobicContact CD1-CD2 3.6Å; L363-E365 PolarHBondContact O-N 3.34Å; L363-S368 WeakPolarHBondContact CB-OG 3.33Å; L363-S368 WeakPolarHBondContact O-CB 3.35Å; L363-S368 PolarHBondContact O-OG 2.69Å
364P94.7Very high95.8Very high94 Ų9445 Ų4561%0.6125%0.245SC*.SBendtrans-75.4-10.7-174.331.7-33000112.9Y342Y342-P364 HydrophobicContact CE1-CB 3.92Å; Y342-P364 HydrophobicContact CE1-CG 3.82Å
365E94.2Very high96.7Very high136 Ų13643.3 Ų43.364%0.63624%0.235SC*.SBendtrans-69.2134.8177.5-178.4176-177.600110.5L363 G367 S368L363-E365 PolarHBondContact O-N 3.34Å; E365-G367 PolarHBondContact O-N 3.02Å; E365-S368 WeakPolarHBondContact O-CB 3.49Å; E365-S368 PolarHBondContact O-N 2.98Å; E365-S368 VanDerWaalsContact O-N 3.09Å; E365-S368 PolarHBondContact O-OG 3.15Å
366E92.6Very high97Very high191 Ų19138.9 Ų38.989%0.89321%0.214SC*.THydrogen-bonded Turntrans-60.1134180-171.3172.4-172.200111.3S368E366-S368 VanDerWaalsContact C-N 3.31Å
367G93.6Very high97.1Very high73 Ų7335.7 Ų35.775%0.75320%0.201SC*.THydrogen-bonded Turntrans82.91.3-175.700000115E365E365-G367 PolarHBondContact O-N 3.02Å
368S97.3Very high97.1Very high26 Ų2635.8 Ų35.818%0.18220%0.202CC..PPolyproline II helixtrans-59.5145170.9-64.70000111.9C362 L363 E365 E366C362-S368 VanDerWaalsContact SG-CB 3.58Å; C362-S368 PolarHBondContact SG-O 3.44Å; C362-S368 VanDerWaalsContact SG-O 3.38Å; L363-S368 WeakPolarHBondContact CB-OG 3.33Å; L363-S368 WeakPolarHBondContact O-CB 3.35Å; L363-S368 PolarHBondContact O-OG 2.69Å; E365-S368 WeakPolarHBondContact O-CB 3.49Å; E365-S368 PolarHBondContact O-N 2.98Å; E365-S368 VanDerWaalsContact O-N 3.09Å; E365-S368 PolarHBondContact O-OG 3.15Å; E366-S368 VanDerWaalsContact C-N 3.31Å
369L98.1Very high97Very high46 Ų4635.4 Ų35.424%0.24120%0.202CC..PPolyproline II helixtrans-88.8148.5178.9-59-179000111.5E268 K271 R371E268-L369 HydrophobicContact CG-CD2 4.19Å; E268-L369 VanDerWaalsContact OE2-CA 3.31Å; E268-L369 WeakPolarHBondContact OE2-CA 3.5Å; K271-L369 HydrophobicContact CD-CD1 3.71Å; L369-R371 PolarHBondContact O-N 3.29Å
370H98.6Very high96.9Very high37 Ų3739.8 Ų39.817%0.17122%0.221CC..PPolyproline II helixtrans-69.9117.2170.7-6584.1000109.9Y265 E268 F269 T344 V360 C361Y265-H370 HydrophobicContact CD1-CB 3.75Å; Y265-H370 AromaticContact CD1-CD2 3.94Å; Y265-H370 AromaticContact CD1-CG 3.53Å; Y265-H370 AromaticContact CD1-ND1 3.71Å; Y265-H370 HydrophobicContact CE1-CB 4.01Å; Y265-H370 AromaticContact CE1-CD2 3.25Å; Y265-H370 WeakPolarHBondContact CE1-CD2 3.33Å; Y265-H370 AromaticContact CE1-CE1 3.48Å; Y265-H370 VanDerWaalsContact CE1-CE1 3.48Å; Y265-H370 WeakPolarHBondContact CE1-CE1 3.48Å; Y265-H370 AromaticContact CE1-CG 3.3Å; Y265-H370 AromaticContact CE1-ND1 3.43Å; Y265-H370 WeakPolarHBondContact CE1-ND1 3.42Å; Y265-H370 AromaticContact CE1-NE2 3.36Å; Y265-H370 WeakPolarHBondContact CE1-NE2 3.43Å; Y265-H370 HydrophobicContact CG-CB 4.07Å; Y265-H370 AromaticContact CZ-CD2 3.34Å; Y265-H370 AromaticContact CZ-CG 3.83Å; Y265-H370 AromaticContact CZ-NE2 3.58Å; Y265-H370 PolarHBondContact OH-CD2 2.97Å; Y265-H370 VanDerWaalsContact OH-CD2 3.32Å; Y265-H370 PolarHBondContact OH-NE2 3.26Å; E268-H370 IonicContact OE1-ND1 3.77Å; E268-H370 PolarHBondContact OE1-ND1 3.42Å; E268-H370 WeakPolarHBondContact OE2-CB 3.19Å; E268-H370 IonicContact OE2-CG 2.73Å; E268-H370 PolarHBondContact OE2-N 3.29Å; E268-H370 IonicContact OE2-ND1 3.13Å; E268-H370 PolarHBondContact OE2-ND1 3.35Å; F269-H370 HydrophobicContact CE1-CB 4.47Å; T344-H370 PolarHBondContact OG1-CD2 3.17Å; V360-H370 HydrophobicContact CG1-CB 3.71Å; C361-H370 CarbonylContact O-C 3.59Å; C361-H370 WeakPolarHBondContact O-CA 3.34Å
371R98.6Very high96.7Very high10 Ų1045.9 Ų45.94%0.03825%0.254CS..EExtended strand (participates in β ladder)trans-111144.6-179.9-56.6-42.8-164.2153.28.5110.9K271 D272 I273 E277 I281 V360 C361 L369K271-R371 PolarHBondContact O-NH1 3.05Å; D272-R371 PolarHBondContact O-NH1 2.9Å; D272-R371 PolarHBondContact O-NH2 2.87Å; D272-R371 VanDerWaalsContact O-NH2 3.17Å; I273-R371 HydrophobicContact CD1-CB 3.84Å; I273-R371 HydrophobicContact CD1-CG 4Å; I273-R371 HydrophobicContact CG1-CG 4.18Å; I273-R371 HydrophobicContact CG2-CG 4.4Å; E277-R371 WeakPolarHBondContact OE1-CG 3.39Å; E277-R371 IonicContact OE1-CZ 2.7Å; E277-R371 IonicContact OE1-NE 3.87Å; E277-R371 PolarHBondContact OE1-NE 3.08Å; E277-R371 IonicContact OE1-NH2 2.87Å; E277-R371 IonicContact OE2-CZ 2.67Å; E277-R371 IonicContact OE2-NE 2.74Å; E277-R371 IonicContact OE2-NH2 3.16Å; E277-R371 PolarHBondContact OE2-NH2 2.83Å; I281-R371 HydrophobicContact CD1-CB 3.98Å; I281-R371 HydrophobicContact CD1-CG 3.79Å; V360-R371 CarbonylContact C-O 3.55Å; V360-R371 WeakPolarHBondContact CA-O 3.46Å; C361-R371 PolarHBondContact N-O 3.03Å; C361-R371 PolarHBondContact O-N 3Å; L369-R371 PolarHBondContact O-N 3.29Å
372R98.4Very high96.5Very high35 Ų3547.5 Ų47.513%0.13226%0.261CS..EExtended strand (participates in β ladder)trans-76.1139.4172.3-65.9-172.9-56.6108.66109.3W228 F269 G312 D313 V314 G359W228-R372 VanDerWaalsContact NE1-NH1 3.15Å; F269-R372 HydrophobicContact CD1-CG 3.74Å; F269-R372 HydrophobicContact CD2-CG 3.93Å; F269-R372 HydrophobicContact CE1-CG 3.57Å; F269-R372 HydrophobicContact CE2-CG 3.75Å; F269-R372 HydrophobicContact CG-CG 3.93Å; F269-R372 HydrophobicContact CZ-CG 3.57Å; G312-R372 PolarHBondContact O-NH2 2.78Å; D313-R372 WeakPolarHBondContact CA-O 3.44Å; D313-R372 HydrophobicContact CB-CB 3.86Å; D313-R372 WeakPolarHBondContact CB-O 3.2Å; D313-R372 IonicContact OD2-CZ 3.77Å; D313-R372 IonicContact OD2-NH1 3.06Å; D313-R372 PolarHBondContact OD2-NH1 3.15Å; D313-R372 IonicContact OD2-NH2 3.04Å; D313-R372 PolarHBondContact OD2-NH2 3.08Å; V314-R372 PolarHBondContact N-O 3.49Å; G359-R372 WeakPolarHBondContact O-CA 3.43Å
373I98.6Very high96.4Very high0 Ų047.7 Ų47.70%026%0.259CS..EExtended strand (participates in β ladder)trans-136.2131.2-180-175.9162000110.5I281 V285 V314 I316 F343 Y357 M358 G359 C361 I375I281-I373 HydrophobicContact CG2-CD1 4.13Å; V285-I373 HydrophobicContact CG2-CD1 4Å; V314-I373 HydrophobicContact CB-CB 4.34Å; V314-I373 HydrophobicContact CB-CD1 4.38Å; V314-I373 HydrophobicContact CB-CG1 4.11Å; V314-I373 HydrophobicContact CG1-CD1 4.24Å; V314-I373 HydrophobicContact CG1-CG1 4.32Å; V314-I373 CarbonylContact O-C 3.59Å; V314-I373 WeakPolarHBondContact O-CA 3.36Å; V314-I373 WeakPolarHBondContact O-CG1 3.37Å; I316-I373 HydrophobicContact CD1-CD1 3.88Å; I316-I373 HydrophobicContact CD1-CG1 4.45Å; F343-I373 HydrophobicContact CE1-CD1 4.14Å; F343-I373 HydrophobicContact CE1-CG2 4.16Å; F343-I373 HydrophobicContact CZ-CD1 4.43Å; Y357-I373 HydrophobicContact CE1-CG2 4.37Å; M358-I373 WeakPolarHBondContact CA-O 3.21Å; G359-I373 PolarHBondContact N-O 2.96Å; G359-I373 PolarHBondContact O-N 2.75Å; C361-I373 HydrophobicContact CB-CG2 4.02Å; I373-I375 HydrophobicContact CD1-CD1 4.29Å; I373-I375 HydrophobicContact CD1-CG1 4.36Å; I373-I375 HydrophobicContact CG1-CD1 4.45Å; I373-I375 HydrophobicContact CG1-CG1 4.04Å
374D98.1Very high96.3Very high12 Ų1250.9 Ų50.96%0.06428%0.281CS..EExtended strand (participates in β ladder)trans-115.5120.2176.3-87.821.8000108.3V314 I316 K356 Y357 M358V314-D374 PolarHBondContact O-N 3.33Å; I316-D374 PolarHBondContact N-O 3.32Å; K356-D374 WeakPolarHBondContact CE-OD2 3.31Å; K356-D374 IonicContact NZ-OD2 3.69Å; K356-D374 PolarHBondContact NZ-OD2 3.3Å; Y357-D374 WeakPolarHBondContact O-CA 3.46Å; M358-D374 WeakPolarHBondContact CB-OD1 3.09Å; M358-D374 WeakPolarHBondContact CE-OD1 3.37Å; M358-D374 VanDerWaalsContact CG-OD1 3.31Å; M358-D374 WeakPolarHBondContact CG-OD1 3.38Å
375I98.3Very high96.3Very high0 Ų047.4 Ų47.40%026%0.258CS..EExtended strand (participates in β ladder)trans-116.6124.6176.6-53.8-177.3000108.8V285 I316 I318 L330 L333 F343 K356 Y357 I373 V377V285-I375 HydrophobicContact CG1-CD1 4Å; I316-I375 HydrophobicContact CB-CG1 4.25Å; I316-I375 HydrophobicContact CD1-CG1 4.49Å; I316-I375 HydrophobicContact CG2-CG2 4.23Å; I316-I375 CarbonylContact O-C 3.53Å; I316-I375 WeakPolarHBondContact O-CA 3.49Å; I318-I375 HydrophobicContact CD1-CG2 3.75Å; I318-I375 HydrophobicContact CG1-CG2 4.46Å; L330-I375 HydrophobicContact CD1-CB 4.08Å; L330-I375 HydrophobicContact CD1-CG2 3.74Å; L333-I375 HydrophobicContact CD2-CD1 4.26Å; L333-I375 HydrophobicContact CD2-CG2 4.46Å; F343-I375 HydrophobicContact CE2-CD1 4.32Å; F343-I375 HydrophobicContact CZ-CD1 3.73Å; K356-I375 CarbonylContact C-O 3.47Å; K356-I375 WeakPolarHBondContact CA-O 3.39Å; Y357-I375 HydrophobicContact CD1-CB 4.39Å; Y357-I375 HydrophobicContact CD1-CD1 4.25Å; Y357-I375 HydrophobicContact CD1-CG1 4.24Å; Y357-I375 PolarHBondContact N-O 3.23Å; Y357-I375 PolarHBondContact O-N 2.72Å; I373-I375 HydrophobicContact CD1-CD1 4.29Å; I373-I375 HydrophobicContact CD1-CG1 4.36Å; I373-I375 HydrophobicContact CG1-CD1 4.45Å; I373-I375 HydrophobicContact CG1-CG1 4.04Å; I375-V377 HydrophobicContact CG2-CG2 4.3Å
376V96.9Very high96.4Very high3 Ų341 Ų412%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-116.4128.2177.2177.80000108.9I316 L317 I318 H355 K356 V378 M413I316-V376 PolarHBondContact O-N 3.38Å; L317-V376 CarbonylContact C-O 3.22Å; L317-V376 WeakPolarHBondContact CA-O 3.49Å; L317-V376 HydrophobicContact CD1-CB 4.02Å; L317-V376 HydrophobicContact CD1-CG1 3.84Å; I318-V376 PolarHBondContact N-O 3.47Å; H355-V376 CarbonylContact O-C 3.45Å; H355-V376 WeakPolarHBondContact O-CA 3.03Å; K356-V376 HydrophobicContact CB-CG2 4.34Å; K356-V376 HydrophobicContact CD-CG2 4.11Å; K356-V376 HydrophobicContact CG-CG2 4.02Å; V376-V378 HydrophobicContact CG1-CG1 3.71Å; V376-M413 HydrophobicContact CG1-SD 4.26Å
377V96.8Very high96.6Very high4 Ų433.2 Ų33.22%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-119.2119.5177.2-176.30000109.4I318 H326 L329 L330 H355 I375I318-V377 HydrophobicContact CB-CG2 4.14Å; I318-V377 HydrophobicContact CD1-CG2 4.35Å; I318-V377 VanDerWaalsContact O-CA 3.3Å; I318-V377 WeakPolarHBondContact O-CA 3.46Å; H326-V377 HydrophobicContact CB-CG1 3.87Å; H326-V377 WeakPolarHBondContact O-CG1 3.41Å; L329-V377 HydrophobicContact CB-CG1 4.43Å; L329-V377 HydrophobicContact CD2-CG1 4.32Å; L330-V377 HydrophobicContact CB-CB 4.22Å; L330-V377 HydrophobicContact CB-CG2 3.68Å; L330-V377 HydrophobicContact CD1-CG2 3.96Å; L330-V377 HydrophobicContact CD2-CG2 4.28Å; L330-V377 HydrophobicContact CG-CG2 4.18Å; H355-V377 WeakPolarHBondContact CB-O 3.34Å; H355-V377 PolarHBondContact O-N 3.4Å; I375-V377 HydrophobicContact CG2-CG2 4.3Å
378V95.4Very high96.6Very high2 Ų232.5 Ų32.51%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-125.6154.4-171-67.30000112.4L317 I318 T319 V376 E382 F383 S386L317-V378 HydrophobicContact CD1-CG1 4.29Å; L317-V378 HydrophobicContact CD1-CG2 3.79Å; I318-V378 PolarHBondContact O-N 2.87Å; T319-V378 WeakPolarHBondContact CB-O 3.33Å; T319-V378 PolarHBondContact OG1-O 3.49Å; V376-V378 HydrophobicContact CG1-CG1 3.71Å; V378-E382 HydrophobicContact CB-CB 4.28Å; V378-F383 HydrophobicContact CG2-CB 4.44Å; V378-F383 HydrophobicContact CG2-CD2 4.4Å; V378-S386 WeakPolarHBondContact CG1-OG 3.42Å
379P95.6Very high96.4Very high30 Ų3032.4 Ų32.420%0.19517%0.17CC..  trans-53.9151.7164.7-22.432.8000112D381 E382 F383P379-D381 VanDerWaalsContact C-N 3.31Å; P379-D381 WeakPolarHBondContact CB-OD1 3.5Å; P379-D381 PolarHBondContact O-N 2.98Å; P379-E382 HydrophobicContact CB-CG 4.12Å; P379-E382 HydrophobicContact CG-CG 4.14Å; P379-E382 PolarHBondContact O-N 2.97Å; P379-E382 VanDerWaalsContact O-N 3.1Å; P379-F383 PolarHBondContact O-N 3.19Å
380F95.7Very high96.3Very high92 Ų9231.4 Ų31.440%0.40417%0.165SC..G310 helixtrans-62.2-37.1-174.6-175.4-116.1000113.1I297 T319 P321 E382 F383I297-F380 HydrophobicContact CD1-CD2 4.22Å; I297-F380 HydrophobicContact CD1-CE2 3.61Å; T319-F380 HydrophobicContact CG2-CD2 3.98Å; T319-F380 VanDerWaalsContact OG1-CA 3.3Å; T319-F380 WeakPolarHBondContact OG1-CA 3.4Å; T319-F380 PolarHBondContact OG1-N 3.11Å; P321-F380 HydrophobicContact CB-CD2 4.4Å; P321-F380 HydrophobicContact CB-CE2 4.29Å; F380-E382 VanDerWaalsContact C-N 3.3Å; F380-E382 PolarHBondContact O-N 3.26Å; F380-F383 VanDerWaalsContact O-CB 3.26Å; F380-F383 WeakPolarHBondContact O-CB 3.43Å; F380-F383 PolarHBondContact O-N 3.29Å
381D94.6Very high96.1Very high129 Ų12930.5 Ų30.569%0.6916%0.162SC*.G310 helixtrans-69-24.8176.459.3-35.7000113.4P379P379-D381 VanDerWaalsContact C-N 3.31Å; P379-D381 WeakPolarHBondContact CB-OD1 3.5Å; P379-D381 PolarHBondContact O-N 2.98Å
382E95Very high95.6Very high38 Ų3830.7 Ų30.718%0.17817%0.168CC..G310 helixtrans-86.7-8.9175.3-56.2-165.4173.200113V378 P379 F380 T385 S386 H414V378-E382 HydrophobicContact CB-CB 4.28Å; P379-E382 HydrophobicContact CB-CG 4.12Å; P379-E382 HydrophobicContact CG-CG 4.14Å; P379-E382 PolarHBondContact O-N 2.97Å; P379-E382 VanDerWaalsContact O-N 3.1Å; F380-E382 VanDerWaalsContact C-N 3.3Å; F380-E382 PolarHBondContact O-N 3.26Å; E382-T385 PolarHBondContact O-N 2.98Å; E382-T385 PolarHBondContact O-OG1 3.31Å; E382-S386 WeakPolarHBondContact O-CB 3.27Å; E382-S386 PolarHBondContact O-N 2.55Å; E382-S386 PolarHBondContact O-OG 2.8Å; E382-H414 HydrophobicContact CG-CB 4.46Å; E382-H414 WeakPolarHBondContact CG-O 3.41Å; E382-H414 IonicContact OE1-CG 3.65Å; E382-H414 IonicContact OE1-ND1 3.79Å; E382-H414 IonicContact OE2-CE1 2.81Å; E382-H414 IonicContact OE2-CG 3.9Å; E382-H414 IonicContact OE2-ND1 2.76Å; E382-H414 PolarHBondContact OE2-ND1 3.2Å
383F95.5Very high95.1Very high26 Ų2631 Ų3111%0.11418%0.175CC..Hα-helixtrans-59.3-46.1-173.9-179-105.9000113.6I297 E299 L317 T319 V378 P379 F380 T385 S386 L387I297-F383 HydrophobicContact CG2-CE1 4.14Å; I297-F383 HydrophobicContact CG2-CE2 4.07Å; I297-F383 HydrophobicContact CG2-CZ 3.59Å; E299-F383 HydrophobicContact CG-CE2 4.26Å; E299-F383 HydrophobicContact CG-CZ 3.68Å; L317-F383 HydrophobicContact CD2-CD2 3.78Å; L317-F383 HydrophobicContact CD2-CE2 3.67Å; L317-F383 HydrophobicContact CG-CD2 4.08Å; L317-F383 HydrophobicContact CG-CE2 3.91Å; T319-F383 HydrophobicContact CG2-CB 3.9Å; T319-F383 HydrophobicContact CG2-CD1 4.35Å; T319-F383 HydrophobicContact CG2-CD2 3.34Å; T319-F383 HydrophobicContact CG2-CE2 3.85Å; T319-F383 HydrophobicContact CG2-CG 3.62Å; V378-F383 HydrophobicContact CG2-CB 4.44Å; V378-F383 HydrophobicContact CG2-CD2 4.4Å; P379-F383 PolarHBondContact O-N 3.19Å; F380-F383 VanDerWaalsContact O-CB 3.26Å; F380-F383 WeakPolarHBondContact O-CB 3.43Å; F380-F383 PolarHBondContact O-N 3.29Å; F383-T385 PolarHBondContact O-N 3.48Å; F383-S386 PolarHBondContact O-N 2.97Å; F383-L387 HydrophobicContact CE1-CD2 4.31Å; F383-L387 HydrophobicContact CZ-CD2 4.5Å; F383-L387 VanDerWaalsContact O-CB 3.27Å; F383-L387 WeakPolarHBondContact O-CB 3.44Å; F383-L387 PolarHBondContact O-N 3.19Å
384P95.3Very high94.4Very high85 Ų8534 Ų3455%0.55220%0.2SC*.Hα-helixtrans-61.3-43.5-178.9-23.835000113.1L388P384-L388 PolarHBondContact O-N 3.13Å
385T95.2Very high93.6Very high21 Ų2134.8 Ų34.813%0.12920%0.203CC..Hα-helixtrans-75-32.4179.4500000112.3E382 F383 C389 L411 S412 M413 S415 L416E382-T385 PolarHBondContact O-N 2.98Å; E382-T385 PolarHBondContact O-OG1 3.31Å; F383-T385 PolarHBondContact O-N 3.48Å; T385-C389 WeakPolarHBondContact O-CB 3.29Å; T385-C389 PolarHBondContact O-N 3.1Å; T385-C389 PolarHBondContact O-SG 3.15Å; T385-L411 HydrophobicContact CG2-CD1 4.03Å; T385-S412 WeakPolarHBondContact CB-O 3.39Å; T385-M413 CarbonylContact C-O 3.6Å; T385-M413 WeakPolarHBondContact CB-O 3.29Å; T385-M413 PolarHBondContact OG1-O 2.89Å; T385-S415 PolarHBondContact OG1-N 2.76Å; T385-L416 HydrophobicContact CG2-CB 4.45Å
386S95.7Very high93Very high0 Ų039.3 Ų39.30%022%0.223CC..Hα-helixtrans-66.8-42.7173-65.70000111.5V378 E382 F383 L388 C389 N390 M413V378-S386 WeakPolarHBondContact CG1-OG 3.42Å; E382-S386 WeakPolarHBondContact O-CB 3.27Å; E382-S386 PolarHBondContact O-N 2.55Å; E382-S386 PolarHBondContact O-OG 2.8Å; F383-S386 PolarHBondContact O-N 2.97Å; S386-L388 VanDerWaalsContact C-N 3.34Å; S386-L388 PolarHBondContact O-N 3.34Å; S386-C389 PolarHBondContact O-N 3.3Å; S386-N390 WeakPolarHBondContact O-CB 3.46Å; S386-N390 PolarHBondContact O-N 3.42Å; S386-N390 PolarHBondContact O-ND2 3.49Å; S386-M413 PolarHBondContact N-O 2.87Å; S386-M413 VanDerWaalsContact N-O 3.13Å; S386-M413 WeakPolarHBondContact OG-CG 3.33Å; S386-M413 PolarHBondContact OG-O 3.44Å
387L96.8Very high92.5Very high28 Ų2840.5 Ų40.515%0.14723%0.23CC..Hα-helixtrans-59.5-47176.9-17663.4000110.7E299 L317 F383 C389 T391E299-L387 HydrophobicContact CB-CD1 4.04Å; E299-L387 HydrophobicContact CG-CD1 4.07Å; L317-L387 VanDerWaalsContact CD2-CA 3.48Å; L317-L387 HydrophobicContact CD2-CB 3.86Å; L317-L387 HydrophobicContact CD2-CD1 4.07Å; F383-L387 HydrophobicContact CE1-CD2 4.31Å; F383-L387 HydrophobicContact CZ-CD2 4.5Å; F383-L387 VanDerWaalsContact O-CB 3.27Å; F383-L387 WeakPolarHBondContact O-CB 3.44Å; F383-L387 PolarHBondContact O-N 3.19Å; L387-C389 PolarHBondContact O-N 2.76Å; L387-T391 WeakPolarHBondContact O-CB 3.4Å; L387-T391 PolarHBondContact O-N 2.93Å; L387-T391 PolarHBondContact O-OG1 3.08Å
388L94.5Very high92Very high58 Ų5845.9 Ų45.930%0.30425%0.25SS..Hα-helixtrans-58.6-47174.8-178.668.2000112.4P384 S386 G392 F396 I400 L411P384-L388 PolarHBondContact O-N 3.13Å; S386-L388 VanDerWaalsContact C-N 3.34Å; S386-L388 PolarHBondContact O-N 3.34Å; L388-G392 PolarHBondContact O-N 2.73Å; L388-G392 VanDerWaalsContact O-N 3.13Å; L388-F396 HydrophobicContact CD1-CE1 3.77Å; L388-F396 HydrophobicContact CD1-CZ 4.26Å; L388-I400 HydrophobicContact CD1-CD1 4.28Å; L388-I400 HydrophobicContact CD2-CD1 4.01Å; L388-L411 HydrophobicContact CD2-CD1 4.27Å; L388-L411 HydrophobicContact CD2-CD2 3.81Å
389C93.5Very high91.5Very high24 Ų2448.8 Ų48.816%0.16227%0.271CS..Hα-helixtrans-70.8-35.8-176.4-69.60000113.5T385 S386 L387 M413T385-C389 WeakPolarHBondContact O-CB 3.29Å; T385-C389 PolarHBondContact O-N 3.1Å; T385-C389 PolarHBondContact O-SG 3.15Å; S386-C389 PolarHBondContact O-N 3.3Å; L387-C389 PolarHBondContact O-N 2.76Å; C389-M413 HydrophobicContact CB-CB 4.42Å
390N94.1Very high91.2Very high26 Ų2649.9 Ų49.914%0.13927%0.274CS..Hα-helixtrans-87.1-19.7-179.5-67.1-74.5000112.5C301 G302 S386C301-N390 HydrophobicContact CB-CB 4Å; G302-N390 WeakPolarHBondContact CA-O 3.42Å; G302-N390 PolarHBondContact N-O 3.07Å; S386-N390 WeakPolarHBondContact O-CB 3.46Å; S386-N390 PolarHBondContact O-N 3.42Å; S386-N390 PolarHBondContact O-ND2 3.49Å
391T95Very high90.8Very high17 Ų1748 Ų4810%0.10427%0.268CS..Hα-helixtrans-81-44.7173.4-60.10000112.1R305 R306 L387R305-T391 HydrophobicContact CB-CG2 3.96Å; R305-T391 WeakPolarHBondContact CD-OG1 3.22Å; R305-T391 HydrophobicContact CG-CG2 4.01Å; R306-T391 HydrophobicContact CG-CG2 4.11Å; R306-T391 PolarHBondContact NH1-O 3.42Å; L387-T391 WeakPolarHBondContact O-CB 3.4Å; L387-T391 PolarHBondContact O-N 2.93Å; L387-T391 PolarHBondContact O-OG1 3.08Å
392G87.6Confident90.4Very high15 Ų1544.5 Ų44.516%0.15526%0.258CS..SBendtrans-66.9142.4-170.300000112.7L388L388-G392 PolarHBondContact O-N 2.73Å; L388-G392 VanDerWaalsContact O-N 3.13Å
393S87.9Confident90.2Very high41 Ų4150.6 Ų50.629%0.28728%0.279SS..  trans-59.3155.6168.168.70000110.7Q395 F396 V397S393-Q395 PolarHBondContact O-N 3.17Å; S393-Q395 VanDerWaalsContact O-N 3.09Å; S393-F396 PolarHBondContact O-N 3.16Å; S393-F396 PolarHBondContact OG-N 3.42Å; S393-V397 WeakPolarHBondContact O-CG2 3.49Å; S393-V397 PolarHBondContact O-N 3.09Å
394A83.9Confident89.8Confident64 Ų6449.8 Ų49.853%0.52928%0.277SS..Hα-helixtrans-54.2-36-179.800000112.5R398A394-R398 WeakPolarHBondContact O-CB 3.47Å; A394-R398 VanDerWaalsContact O-CG 3.22Å; A394-R398 WeakPolarHBondContact O-CG 3.29Å; A394-R398 PolarHBondContact O-N 2.94Å
395Q81.4Confident89.4Confident27 Ų2753.3 Ų53.313%0.12628%0.284CS..Hα-helixtrans-60.3-55.5171.6-176.496.14.100112.1N165 S393 V397 R398 S399N165-Q395 PolarHBondContact OD1-NE2 3.36Å; S393-Q395 PolarHBondContact O-N 3.17Å; S393-Q395 VanDerWaalsContact O-N 3.09Å; Q395-V397 VanDerWaalsContact C-N 3.31Å; Q395-V397 PolarHBondContact O-N 3.02Å; Q395-R398 WeakPolarHBondContact O-CB 3.41Å; Q395-R398 PolarHBondContact O-N 3.34Å; Q395-S399 PolarHBondContact O-N 2.76Å; Q395-S399 PolarHBondContact O-OG 2.91Å
396F86.2Confident89Confident96 Ų9656.6 Ų56.642%0.42131%0.308SS..Hα-helixtrans-58.6-47.3-176.8174.6-92.7000110.3L388 S393 R398 S399 I400L388-F396 HydrophobicContact CD1-CE1 3.77Å; L388-F396 HydrophobicContact CD1-CZ 4.26Å; S393-F396 PolarHBondContact O-N 3.16Å; S393-F396 PolarHBondContact OG-N 3.42Å; F396-R398 VanDerWaalsContact C-N 3.35Å; F396-R398 PolarHBondContact O-N 3.16Å; F396-S399 PolarHBondContact O-N 3.35Å; F396-S399 VanDerWaalsContact O-N 3.16Å; F396-I400 HydrophobicContact CE1-CD1 4.25Å; F396-I400 HydrophobicContact CE1-CG2 4.34Å; F396-I400 HydrophobicContact CZ-CD1 4.05Å; F396-I400 WeakPolarHBondContact O-CG2 3.45Å; F396-I400 PolarHBondContact O-N 3.2Å
397V87.2Confident88.6Confident28 Ų2861.4 Ų61.417%0.1733%0.331CS..Hα-helixtrans-60.9-42.2177.6177.90000111S393 Q395 I400 N401S393-V397 WeakPolarHBondContact O-CG2 3.49Å; S393-V397 PolarHBondContact O-N 3.09Å; Q395-V397 VanDerWaalsContact C-N 3.31Å; Q395-V397 PolarHBondContact O-N 3.02Å; V397-I400 WeakPolarHBondContact O-CG2 3.29Å; V397-N401 WeakPolarHBondContact CG1-ND2 3.39Å; V397-N401 VanDerWaalsContact O-CB 3.29Å; V397-N401 WeakPolarHBondContact O-CB 3.32Å; V397-N401 PolarHBondContact O-N 2.88Å; V397-N401 VanDerWaalsContact O-N 3.07Å; V397-N401 PolarHBondContact O-ND2 3.04Å
398R86.1Confident88Confident116 Ų11662.4 Ų62.444%0.43835%0.348SS..Hα-helixtrans-60.6-46.7173.5-77.3-175.3-58.4-102.610.9112.1A394 Q395 F396 N401 A402A394-R398 WeakPolarHBondContact O-CB 3.47Å; A394-R398 VanDerWaalsContact O-CG 3.22Å; A394-R398 WeakPolarHBondContact O-CG 3.29Å; A394-R398 PolarHBondContact O-N 2.94Å; Q395-R398 WeakPolarHBondContact O-CB 3.41Å; Q395-R398 PolarHBondContact O-N 3.34Å; F396-R398 VanDerWaalsContact C-N 3.35Å; F396-R398 PolarHBondContact O-N 3.16Å; R398-N401 PolarHBondContact O-N 3.28Å; R398-A402 WeakPolarHBondContact O-CB 3.33Å; R398-A402 PolarHBondContact O-N 3.42Å
399S85.7Confident87.7Confident63 Ų6362.2 Ų62.244%0.44135%0.347SS..Hα-helixtrans-65.1-45.4-177.7-66.10000112.6Q395 F396 N401 A402 R403Q395-S399 PolarHBondContact O-N 2.76Å; Q395-S399 PolarHBondContact O-OG 2.91Å; F396-S399 PolarHBondContact O-N 3.35Å; F396-S399 VanDerWaalsContact O-N 3.16Å; S399-N401 VanDerWaalsContact C-N 3.34Å; S399-N401 PolarHBondContact O-N 3.4Å; S399-A402 WeakPolarHBondContact O-CB 3.2Å; S399-A402 PolarHBondContact O-N 2.99Å; S399-R403 PolarHBondContact O-N 3.5Å
400I87.7Confident87.5Confident53 Ų5367.5 Ų67.527%0.27236%0.363SS..Hα-helixtrans-68.8-34.1178.4-164.7162.4000111.7L388 F396 V397 R403 A404 L411L388-I400 HydrophobicContact CD1-CD1 4.28Å; L388-I400 HydrophobicContact CD2-CD1 4.01Å; F396-I400 HydrophobicContact CE1-CD1 4.25Å; F396-I400 HydrophobicContact CE1-CG2 4.34Å; F396-I400 HydrophobicContact CZ-CD1 4.05Å; F396-I400 WeakPolarHBondContact O-CG2 3.45Å; F396-I400 PolarHBondContact O-N 3.2Å; V397-I400 WeakPolarHBondContact O-CG2 3.29Å; I400-R403 PolarHBondContact O-N 2.88Å; I400-A404 PolarHBondContact O-N 3.31Å; I400-L411 HydrophobicContact CG1-CD2 4.09Å; I400-L411 HydrophobicContact CG2-CD2 3.8Å
401N88Confident87.2Confident52 Ų5266.9 Ų66.928%0.27836%0.36SS..Hα-helixtrans-63.2-40.8169.7-86.7-70.4000112.2V397 R398 S399 R403 A404 K405 L411V397-N401 WeakPolarHBondContact CG1-ND2 3.39Å; V397-N401 VanDerWaalsContact O-CB 3.29Å; V397-N401 WeakPolarHBondContact O-CB 3.32Å; V397-N401 PolarHBondContact O-N 2.88Å; V397-N401 VanDerWaalsContact O-N 3.07Å; V397-N401 PolarHBondContact O-ND2 3.04Å; R398-N401 PolarHBondContact O-N 3.28Å; S399-N401 VanDerWaalsContact C-N 3.34Å; S399-N401 PolarHBondContact O-N 3.4Å; N401-R403 VanDerWaalsContact C-N 3.34Å; N401-A404 PolarHBondContact O-N 2.9Å; N401-K405 WeakPolarHBondContact O-CB 3.27Å; N401-K405 PolarHBondContact O-N 3.14Å; N401-L411 PolarHBondContact OD1-O 3.36Å
402A87.1Confident86.9Confident57 Ų5767.2 Ų67.247%0.47136%0.363SS..Hα-helixtrans-64.5-39175.300000111.7R398 S399 K405 S406R398-A402 WeakPolarHBondContact O-CB 3.33Å; R398-A402 PolarHBondContact O-N 3.42Å; S399-A402 WeakPolarHBondContact O-CB 3.2Å; S399-A402 PolarHBondContact O-N 2.99Å; A402-K405 WeakPolarHBondContact O-CB 3.38Å; A402-K405 PolarHBondContact O-N 3.35Å; A402-S406 PolarHBondContact O-N 3.39Å
403R88.9Confident87Confident166 Ų16669.1 Ų69.163%0.62637%0.368SS*.Hα-helixtrans-65.2-46.5174.6-179.160177.2-137.2-0.5112.4S399 I400 N401 K405 S406 M407S399-R403 PolarHBondContact O-N 3.5Å; I400-R403 PolarHBondContact O-N 2.88Å; N401-R403 VanDerWaalsContact C-N 3.34Å; R403-K405 VanDerWaalsContact C-N 3.25Å; R403-K405 PolarHBondContact O-N 3.44Å; R403-S406 PolarHBondContact O-N 2.99Å; R403-S406 PolarHBondContact O-OG 3.18Å; R403-M407 HydrophobicContact CG-SD 4.12Å; R403-M407 WeakPolarHBondContact O-CG 3.44Å; R403-M407 PolarHBondContact O-N 3.33Å
404A87.2Confident87.1Confident9 Ų971 Ų717%0.07437%0.372CS..Hα-helixtrans-56-45.1173.800000110.5I400 N401 S406 M407 G408 M409 L411 L416I400-A404 PolarHBondContact O-N 3.31Å; N401-A404 PolarHBondContact O-N 2.9Å; A404-S406 PolarHBondContact O-N 3.43Å; A404-M407 CarbonylContact O-C 3.4Å; A404-M407 WeakPolarHBondContact O-CA 3.38Å; A404-M407 WeakPolarHBondContact O-CB 3.49Å; A404-M407 PolarHBondContact O-N 3.17Å; A404-G408 PolarHBondContact O-N 3.17Å; A404-M409 CarbonylContact C-O 3.55Å; A404-M409 VanDerWaalsContact C-O 3.26Å; A404-M409 HydrophobicContact CB-CB 4.21Å; A404-M409 CarbonylContact O-C 3.56Å; A404-M409 WeakPolarHBondContact O-CA 3.38Å; A404-M409 WeakPolarHBondContact O-CB 3.46Å; A404-M409 PolarHBondContact O-N 3.4Å; A404-M409 VanDerWaalsContact O-O 3.13Å; A404-L411 HydrophobicContact CB-CB 3.92Å; A404-L416 HydrophobicContact CB-CD1 4.25Å
405K86.9Confident87.4Confident159 Ų15968.9 Ų68.969%0.69135%0.353SS*.Hα-helixtrans-60.6-41.6177.1-176.1-174.9174.3-166.80113.1N401 A402 R403 M407 G408 M409N401-K405 WeakPolarHBondContact O-CB 3.27Å; N401-K405 PolarHBondContact O-N 3.14Å; A402-K405 WeakPolarHBondContact O-CB 3.38Å; A402-K405 PolarHBondContact O-N 3.35Å; R403-K405 VanDerWaalsContact C-N 3.25Å; R403-K405 PolarHBondContact O-N 3.44Å; K405-M407 PolarHBondContact O-N 3.03Å; K405-G408 PolarHBondContact O-N 2.74Å; K405-G408 VanDerWaalsContact O-N 3.15Å; K405-M409 WeakPolarHBondContact CA-O 3.23Å; K405-M409 PolarHBondContact N-O 3.13Å
406S87.6Confident87.9Confident90 Ų9072.1 Ų72.163%0.62937%0.371SS*.Hα-helixtrans-65.8-21.5176.660.30000112.9A402 R403 A404 G408A402-S406 PolarHBondContact O-N 3.39Å; R403-S406 PolarHBondContact O-N 2.99Å; R403-S406 PolarHBondContact O-OG 3.18Å; A404-S406 PolarHBondContact O-N 3.43Å; S406-G408 VanDerWaalsContact C-N 3.34Å
407M86.7Confident87.9Confident100 Ų10074.7 Ų74.749%0.49338%0.378SS..THydrogen-bonded Turntrans-92.312.4176.2-62.7171.26400112.9R403 A404 K405 M409R403-M407 HydrophobicContact CG-SD 4.12Å; R403-M407 WeakPolarHBondContact O-CG 3.44Å; R403-M407 PolarHBondContact O-N 3.33Å; A404-M407 CarbonylContact O-C 3.4Å; A404-M407 WeakPolarHBondContact O-CA 3.38Å; A404-M407 WeakPolarHBondContact O-CB 3.49Å; A404-M407 PolarHBondContact O-N 3.17Å; K405-M407 PolarHBondContact O-N 3.03Å; M407-M409 HydrophobicContact CB-CG 4.41Å; M407-M409 HydrophobicContact CB-SD 4.39Å; M407-M409 HydrophobicContact CE-CE 4.42Å; M407-M409 HydrophobicContact CE-SD 4.48Å; M407-M409 PolarHBondContact O-N 2.95Å
408G85.5Confident87.9Confident49 Ų4980.4 Ų80.451%0.50540%0.403SS..THydrogen-bonded Turntrans71.513.1-177.500000114.2A404 K405 S406 G419A404-G408 PolarHBondContact O-N 3.17Å; K405-G408 PolarHBondContact O-N 2.74Å; K405-G408 VanDerWaalsContact O-N 3.15Å; S406-G408 VanDerWaalsContact C-N 3.34Å; G408-G419 PolarHBondContact O-N 3.21Å
409M88.2Confident87.3Confident54 Ų5477.8 Ų77.827%0.26641%0.412SS..EExtended strand (participates in β ladder)trans-106.4164.7-179.3-58.9174179.300111.7A404 K405 M407 L416 R417 E418A404-M409 CarbonylContact C-O 3.55Å; A404-M409 VanDerWaalsContact C-O 3.26Å; A404-M409 HydrophobicContact CB-CB 4.21Å; A404-M409 CarbonylContact O-C 3.56Å; A404-M409 WeakPolarHBondContact O-CA 3.38Å; A404-M409 WeakPolarHBondContact O-CB 3.46Å; A404-M409 PolarHBondContact O-N 3.4Å; A404-M409 VanDerWaalsContact O-O 3.13Å; K405-M409 WeakPolarHBondContact CA-O 3.23Å; K405-M409 PolarHBondContact N-O 3.13Å; M407-M409 HydrophobicContact CB-CG 4.41Å; M407-M409 HydrophobicContact CB-SD 4.39Å; M407-M409 HydrophobicContact CE-CE 4.42Å; M407-M409 HydrophobicContact CE-SD 4.48Å; M407-M409 PolarHBondContact O-N 2.95Å; M409-L416 HydrophobicContact CB-CD1 4.02Å; M409-L416 HydrophobicContact SD-CD1 4.4Å; M409-R417 CarbonylContact C-O 3.6Å; M409-R417 WeakPolarHBondContact CA-O 3.45Å; M409-E418 HydrophobicContact CG-CB 4.4Å; M409-E418 HydrophobicContact CG-CG 4.22Å
410R89Confident86.1Confident136 Ų13678.4 Ų78.451%0.51341%0.413SS..EExtended strand (participates in β ladder)trans-128.3111.5171.4179.7-179.9172.783.12.4108.9L416 R417 V420R410-L416 WeakPolarHBondContact O-CA 3.48Å; R410-R417 PolarHBondContact N-O 3.15Å; R410-R417 PolarHBondContact O-N 3.31Å; R410-V420 HydrophobicContact CB-CB 4.47Å; R410-V420 HydrophobicContact CB-CG2 3.87Å
411L88Confident84.5Confident13 Ų1385.1 Ų85.17%0.06844%0.44CS..EExtended strand (participates in β ladder)trans-84.4144.3166.4-177.162.7000109.5T385 L388 I400 N401 A404 S415 L416T385-L411 HydrophobicContact CG2-CD1 4.03Å; L388-L411 HydrophobicContact CD2-CD1 4.27Å; L388-L411 HydrophobicContact CD2-CD2 3.81Å; I400-L411 HydrophobicContact CG1-CD2 4.09Å; I400-L411 HydrophobicContact CG2-CD2 3.8Å; N401-L411 PolarHBondContact OD1-O 3.36Å; A404-L411 HydrophobicContact CB-CB 3.92Å; L411-S415 CarbonylContact C-O 3.59Å; L411-L416 HydrophobicContact CB-CD1 3.92Å; L411-L416 HydrophobicContact CD1-CB 4.11Å; L411-L416 HydrophobicContact CD1-CD1 4.17Å
412S89.3Confident82.7Confident23 Ų2392.3 Ų92.316%0.16146%0.463CS..EExtended strand (participates in β ladder)trans-154.6170.1172.463.60000108.7T385 H414 S415T385-S412 WeakPolarHBondContact CB-O 3.39Å; S412-H414 PolarHBondContact O-N 3.31Å; S412-H414 PolarHBondContact OG-N 2.96Å; S412-S415 PolarHBondContact N-O 3.12Å; S412-S415 PolarHBondContact O-N 2.81Å; S412-S415 PolarHBondContact OG-N 3.1Å; S412-S415 PolarHBondContact OG-O 3.24Å
413M88Confident80.3Confident56 Ų5698.3 Ų98.328%0.27648%0.482SS..THydrogen-bonded Turntrans-53.8-36.1172.4-169.8-175.8-50.600111.9V376 T385 S386 C389V376-M413 HydrophobicContact CG1-SD 4.26Å; T385-M413 CarbonylContact C-O 3.6Å; T385-M413 WeakPolarHBondContact CB-O 3.29Å; T385-M413 PolarHBondContact OG1-O 2.89Å; S386-M413 PolarHBondContact N-O 2.87Å; S386-M413 VanDerWaalsContact N-O 3.13Å; S386-M413 WeakPolarHBondContact OG-CG 3.33Å; S386-M413 PolarHBondContact OG-O 3.44Å; C389-M413 HydrophobicContact CB-CB 4.42Å
414H90.1Very high78.1Confident80 Ų8096.1 Ų96.137%0.3749%0.486SS..THydrogen-bonded Turntrans-84.4-25.2-174.3-52.3-62.6000114.7E382 S412E382-H414 HydrophobicContact CG-CB 4.46Å; E382-H414 WeakPolarHBondContact CG-O 3.41Å; E382-H414 IonicContact OE1-CG 3.65Å; E382-H414 IonicContact OE1-ND1 3.79Å; E382-H414 IonicContact OE2-CE1 2.81Å; E382-H414 IonicContact OE2-CG 3.9Å; E382-H414 IonicContact OE2-ND1 2.76Å; E382-H414 PolarHBondContact OE2-ND1 3.2Å; S412-H414 PolarHBondContact O-N 3.31Å; S412-H414 PolarHBondContact OG-N 2.96Å
415S90.7Very high75.5Confident19 Ų1999.8 Ų99.813%0.13351%0.512CS..EExtended strand (participates in β ladder)trans-177.4158.2-171.645.30000112.7T385 L411 S412 R417T385-S415 PolarHBondContact OG1-N 2.76Å; L411-S415 CarbonylContact C-O 3.59Å; S412-S415 PolarHBondContact N-O 3.12Å; S412-S415 PolarHBondContact O-N 2.81Å; S412-S415 PolarHBondContact OG-N 3.1Å; S412-S415 PolarHBondContact OG-O 3.24Å; S415-R417 PolarHBondContact OG-NE 3.49Å; S415-R417 PolarHBondContact OG-NH2 2.95Å
416L91.4Very high73.1Confident95 Ų9596.8 Ų96.850%0.49751%0.511SS..EExtended strand (participates in β ladder)trans-104.9120.1160178.964.1000108.2T385 A404 M409 R410 L411T385-L416 HydrophobicContact CG2-CB 4.45Å; A404-L416 HydrophobicContact CB-CD1 4.25Å; M409-L416 HydrophobicContact CB-CD1 4.02Å; M409-L416 HydrophobicContact SD-CD1 4.4Å; R410-L416 WeakPolarHBondContact O-CA 3.48Å; L411-L416 HydrophobicContact CB-CD1 3.92Å; L411-L416 HydrophobicContact CD1-CB 4.11Å; L411-L416 HydrophobicContact CD1-CD1 4.17Å
417R87.6Confident70.6Confident151 Ų15198.8 Ų98.857%0.5753%0.525SS*.EExtended strand (participates in β ladder)trans-125.6141.4-176.7-57.1-175.4-168-113.7-5.1111.3M409 R410 S415 V420M409-R417 CarbonylContact C-O 3.6Å; M409-R417 WeakPolarHBondContact CA-O 3.45Å; R410-R417 PolarHBondContact N-O 3.15Å; R410-R417 PolarHBondContact O-N 3.31Å; S415-R417 PolarHBondContact OG-NE 3.49Å; S415-R417 PolarHBondContact OG-NH2 2.95Å; R417-V420 HydrophobicContact CB-CG2 3.97Å
418E87.3Confident67.9Low148 Ų14896.2 Ų96.269%0.69252%0.524SS*.EExtended strand (participates in β ladder)trans-95.2164.7170.2-160.2178.3179.500111M409 V420M409-E418 HydrophobicContact CG-CB 4.4Å; M409-E418 HydrophobicContact CG-CG 4.22Å; E418-V420 VanDerWaalsContact C-N 3.25Å; E418-V420 PolarHBondContact O-N 3.45Å; E418-V420 VanDerWaalsContact O-N 3.16Å
419G73.1Confident65.3Low61 Ų61101.6 Ų101.663%0.62954%0.541SS*.  trans69.519167.100000114.9G408 K421G408-G419 PolarHBondContact O-N 3.21Å; G419-K421 VanDerWaalsContact C-N 3.26Å; G419-K421 PolarHBondContact O-N 2.93Å
420V60.5Low62.6Low75 Ų75108.8 Ų108.846%0.45557%0.571SS.*  trans-69.882.8179.6-172.70000109.8R410 R417 E418 R422R410-V420 HydrophobicContact CB-CB 4.47Å; R410-V420 HydrophobicContact CB-CG2 3.87Å; R417-V420 HydrophobicContact CB-CG2 3.97Å; E418-V420 VanDerWaalsContact C-N 3.25Å; E418-V420 PolarHBondContact O-N 3.45Å; E418-V420 VanDerWaalsContact O-N 3.16Å; V420-R422 PolarHBondContact O-N 2.88Å
421K53.7Low59.7Low195 Ų195110 Ų11085%0.84858%0.584SS**  trans-67.9118.4168.4-70.8-175.8-178.9176.60107.9G419 E423G419-K421 VanDerWaalsContact C-N 3.26Å; G419-K421 PolarHBondContact O-N 2.93Å; K421-E423 PolarHBondContact O-N 2.91Å
422R50.2Low57Low202 Ų202113.3 Ų113.376%0.76261%0.613SS**  trans-71.4120.7154-77.3-177.6171.6154.8-1.6105.5V420 V424V420-R422 PolarHBondContact O-N 2.88Å; R422-V424 PolarHBondContact O-N 2.75Å
423E37Very low54.4Low183 Ų183121.4 Ų121.486%0.85565%0.646SS**  trans-55.7100.1157.9-74-174.7167.500107.1K421 S425K421-E423 PolarHBondContact O-N 2.91Å; E423-S425 PolarHBondContact O-N 2.89Å; E423-S425 VanDerWaalsContact O-N 3.15Å
424V41.9Very low51.8Low120 Ų120123.8 Ų123.873%0.72767%0.665SS**  trans-80.683.9160-175.40000103R422 S426R422-V424 PolarHBondContact O-N 2.75Å; V424-S426 VanDerWaalsContact C-N 3.26Å; V424-S426 PolarHBondContact O-N 2.95Å; V424-S426 PolarHBondContact O-OG 2.92Å
425S33.8Very low49.3Very low87 Ų87123.1 Ų123.161%0.60867%0.668SS**  trans-57.197.1176.344.80000108.5E423E423-S425 PolarHBondContact O-N 2.89Å; E423-S425 VanDerWaalsContact O-N 3.15Å
426S36Very low46.7Very low96 Ų96134.3 Ų134.367%0.67171%0.707SS**SBendtrans-87.2114.1170.5-55.70000103.8V424V424-S426 VanDerWaalsContact C-N 3.26Å; V424-S426 PolarHBondContact O-N 2.95Å; V424-S426 PolarHBondContact O-OG 2.92Å
427S34.4Very low44Very low131 Ų131132 Ų13292%0.91670%0.702SS**SBendtrans80.963.6-178.1-30.60000114.9
428G29.5Very low41.4Very low46 Ų46130.3 Ų130.347%0.47471%0.712SS.*SBendtrans-15813115900000106.1K430G428-K430 PolarHBondContact O-N 3.44Å
429N31.2Very low39Very low162 Ų162133 Ų13387%0.86672%0.721SS**  trans-27.2118.5172.3-93.6-22.3000109.2M431N429-M431 PolarHBondContact O-N 3.32Å
430K32.8Very low37.2Very low205 Ų205135.6 Ų135.689%0.89173%0.725SS**  trans-37.398.5177.7-74.3173.9-179.9168.20106.5G428 A432G428-K430 PolarHBondContact O-N 3.44Å; K430-A432 PolarHBondContact O-N 3.31Å
431M27.2Very low35.6Very low162 Ų162141.4 Ų141.480%0.79874%0.74SS**  trans-60.4108.2169.8-91.3-1764700100.6N429 K433N429-M431 PolarHBondContact O-N 3.32Å; M431-K433 PolarHBondContact O-N 3.25Å
432A32.4Very low34.9Very low82 Ų82140 Ų14068%0.67873%0.734SS**  trans-44.2116.8-179.500000104.3K430 P434K430-A432 PolarHBondContact O-N 3.31Å; A432-P434 WeakPolarHBondContact O-CA 3.43Å; A432-P434 WeakPolarHBondContact O-CD 3.38Å
433K33.7Very low34.8Very low194 Ų194135.2 Ų135.284%0.84373%0.729SS**  trans-37.5111.4178.2-73.3177.3177.31790104.6M431 P435M431-K433 PolarHBondContact O-N 3.25Å; K433-P435 VanDerWaalsContact C-N 3.34Å; K433-P435 WeakPolarHBondContact O-CD 3.34Å
434P32.9Very low35.1Very low105 Ų105133.5 Ų133.568%0.68273%0.725SS**  trans-58.7110-171.317.6-28000104A432 R436A432-P434 WeakPolarHBondContact O-CA 3.43Å; A432-P434 WeakPolarHBondContact O-CD 3.38Å; P434-R436 PolarHBondContact O-N 3.28Å
435P37.8Very low34.8Very low66 Ų66134.4 Ų134.443%0.42972%0.721SS.*  trans-65.8115.7172.620.7-14.8000101.5K433 A437K433-P435 VanDerWaalsContact C-N 3.34Å; K433-P435 WeakPolarHBondContact O-CD 3.34Å; P435-A437 WeakPolarHBondContact O-CA 3.46Å; P435-A437 WeakPolarHBondContact O-CB 3.42Å; P435-A437 PolarHBondContact O-N 3.14Å
436R36.6Very low35.1Very low255 Ų255140.4 Ų140.496%0.96274%0.736SS**SBendtrans-37.895.1176.9-69.3176.7176.7158-4.9109.1P434P434-R436 PolarHBondContact O-N 3.28Å
437A34.6Very low35.4Very low47 Ų47145.1 Ų145.139%0.38874%0.741SS.*  trans-14373.2-175.200000102.6P435 F439P435-A437 WeakPolarHBondContact O-CA 3.46Å; P435-A437 WeakPolarHBondContact O-CB 3.42Å; P435-A437 PolarHBondContact O-N 3.14Å; A437-F439 PolarHBondContact O-N 3.42Å; A437-F439 VanDerWaalsContact O-N 3.13Å
438C33.4Very low35.6Very low114 Ų114145.4 Ų145.477%0.7774%0.736SS**  trans-52.1116.6158.1-45.20000105.3V440C438-V440 PolarHBondContact O-N 2.97Å
439F37.3Very low36.4Very low204 Ų204151.8 Ų151.890%0.89575%0.747SS**  trans-59.3107.5170.3-68.7-90.5000107.1A437 Y441A437-F439 PolarHBondContact O-N 3.42Å; A437-F439 VanDerWaalsContact O-N 3.13Å; F439-Y441 PolarHBondContact O-N 3.04Å
440V33.8Very low36.7Very low116 Ų116151.8 Ų151.870%0.70375%0.747SS**  trans-86.894.9164.9-176.10000105.7C438 K442C438-V440 PolarHBondContact O-N 2.97Å; V440-K442 HydrophobicContact CG1-CG 4.26Å; V440-K442 PolarHBondContact O-N 3.33Å; V440-K442 VanDerWaalsContact O-N 3.15Å
441Y28.4Very low37.1Very low197 Ų197147.4 Ų147.477%0.77374%0.739SS**  trans-61.3112.1168.2-179.1-100.5000108.4F439 P443F439-Y441 PolarHBondContact O-N 3.04Å; Y441-P443 HydrophobicContact CE1-CG 3.93Å
442K37.6Very low37.9Very low166 Ų166148.5 Ų148.572%0.72273%0.734SS**  trans-127.1125.7160.8-78.2-165.8177.2-172.30109.1V440 L444V440-K442 HydrophobicContact CG1-CG 4.26Å; V440-K442 PolarHBondContact O-N 3.33Å; V440-K442 VanDerWaalsContact O-N 3.15Å; K442-L444 PolarHBondContact O-N 2.88Å
443P47.8Very low38.3Very low102 Ų102149.9 Ų149.966%0.66274%0.736SS**THydrogen-bonded Turntrans-63.5-7.4-162.8-24.833.1000118.2Y441Y441-P443 HydrophobicContact CE1-CG 3.93Å
444L44.1Very low38.8Very low147 Ų147146.9 Ų146.977%0.7773%0.729SS**THydrogen-bonded Turntrans-126.74.6-161.1-99.7129.1000117.7K442K442-L444 PolarHBondContact O-N 2.88Å
445H35.1Very low39.5Very low138 Ų138148.2 Ų148.264%0.63974%0.735SS**  trans-136.8104.6178.8-69.482000112.7Y447H445-Y447 HydrophobicContact CB-CD2 3.94Å; H445-Y447 HydrophobicContact CB-CE2 3.69Å; H445-Y447 PolarHBondContact O-N 3.3Å; H445-Y447 VanDerWaalsContact O-N 3.13Å
446K40.3Very low40.1Very low213 Ų213153.4 Ų153.493%0.92675%0.746SS**  trans-72.389.2167.5-72.6177.9177.9176.30109.2
447Y42.5Very low40.8Very low196 Ų196146.7 Ų146.777%0.76974%0.736SS**  trans-97.5109161.1-69.1-73.4000109.2H445H445-Y447 HydrophobicContact CB-CD2 3.94Å; H445-Y447 HydrophobicContact CB-CE2 3.69Å; H445-Y447 PolarHBondContact O-N 3.3Å; H445-Y447 VanDerWaalsContact O-N 3.13Å
448V39.6Very low41.9Very low136 Ų136149.7 Ų149.782%0.82475%0.754SS**PPolyproline II helixtrans-68127.1162.51780000106.5L450V448-L450 PolarHBondContact O-N 2.67Å; V448-L450 VanDerWaalsContact O-N 3.15Å
449Y45.4Very low43.3Very low180 Ų180147.5 Ų147.571%0.70674%0.735SS**PPolyproline II helixtrans-46.5120.9179.8-103.7-93.4000111.1P451Y449-P451 WeakPolarHBondContact O-CD 3.34Å
450L36.9Very low44.8Very low162 Ų162143.6 Ų143.685%0.84872%0.717SS**PPolyproline II helixtrans-66120.8154.4-71.2172.4000106.1V448 R452V448-L450 PolarHBondContact O-N 2.67Å; V448-L450 VanDerWaalsContact O-N 3.15Å; L450-R452 PolarHBondContact O-N 3.06Å
451P42.8Very low46.9Very low113 Ų113142.7 Ų142.773%0.73471%0.709SS**PPolyproline II helixtrans-56.6133.8-177.520.6-29.9000109.1Y449Y449-P451 WeakPolarHBondContact O-CD 3.34Å
452R42.9Very low49.2Very low186 Ų186135.7 Ų135.770%0.70268%0.682SS**PPolyproline II helixtrans-46.6131.4177.2-92-168.6-148.2-170.81.3109.6L450 N454L450-R452 PolarHBondContact O-N 3.06Å; R452-N454 PolarHBondContact O-N 3.1Å; R452-N454 VanDerWaalsContact O-N 3.13Å
453P41.4Very low51.2Low110 Ų110134.1 Ų134.171%0.71468%0.677SS**PPolyproline II helixtrans-51.9125.8165.8-23.933.4000108.2V455P453-V455 VanDerWaalsContact O-CG2 3.23Å; P453-V455 WeakPolarHBondContact O-CG2 3.46Å; P453-V455 PolarHBondContact O-N 3.18Å
454N44.3Very low52.4Low131 Ų131133.1 Ų133.170%0.70168%0.677SS**  trans-72.483.2-178.9-161.48.5000107.6R452 R456R452-N454 PolarHBondContact O-N 3.1Å; R452-N454 VanDerWaalsContact O-N 3.13Å; N454-R456 PolarHBondContact O-N 2.9Å
455V45.9Very low54Low133 Ų133128.4 Ų128.481%0.80666%0.659SS**  trans-74.428.4-178.4-1500000112.2P453P453-V455 VanDerWaalsContact O-CG2 3.23Å; P453-V455 WeakPolarHBondContact O-CG2 3.46Å; P453-V455 PolarHBondContact O-N 3.18Å
456R51.5Low56.2Low175 Ų175123.9 Ų123.966%0.6665%0.65SS**SBendtrans-59.6131.8161-69.8-176.1-176.5-1321.1105.2N454 S458N454-R456 PolarHBondContact O-N 2.9Å; R456-S458 PolarHBondContact O-N 3.08Å
457P51Low58.1Low114 Ų114115.9 Ų115.974%0.7462%0.621SS**PPolyproline II helixtrans-46.9131.3175.6-2431.9000107.9D459P457-D459 PolarHBondContact O-N 3.25Å
458S57.3Low60Low110 Ų110106.9 Ų106.977%0.76959%0.587SS**PPolyproline II helixtrans-49.2143.4162.347.80000107.1R456 F460R456-S458 PolarHBondContact O-N 3.08Å; S458-F460 PolarHBondContact O-N 3.24Å
459D63.3Low61.9Low69 Ų69101.9 Ų101.937%0.36956%0.557SS.*PPolyproline II helixtrans-47.6139.4179.3-67-54.3000109.5P457 D461 T495 N497P457-D459 PolarHBondContact O-N 3.25Å; D459-D461 PolarHBondContact O-N 3.3Å; D459-D461 VanDerWaalsContact O-N 3.15Å; D459-T495 WeakPolarHBondContact OD1-CB 2.96Å; D459-T495 PolarHBondContact OD1-OG1 3.16Å; D459-N497 WeakPolarHBondContact OD2-CB 3.36Å; D459-N497 VanDerWaalsContact OD2-CG 3.3Å; D459-N497 PolarHBondContact OD2-ND2 2.91Å
460F69.5Low63.6Low121 Ų12199.2 Ų99.253%0.53156%0.555SS.*PPolyproline II helixtrans-55.9122.6-177.4-178.3-94.8000109.2S458 Y462 A465S458-F460 PolarHBondContact O-N 3.24Å; F460-Y462 HydrophobicContact CB-CE2 4.37Å; F460-Y462 AromaticContact CD1-CD1 3.55Å; F460-Y462 HydrophobicContact CD1-CD1 3.55Å; F460-Y462 AromaticContact CD1-CD2 3.91Å; F460-Y462 HydrophobicContact CD1-CD2 3.91Å; F460-Y462 AromaticContact CD1-CE1 3.58Å; F460-Y462 HydrophobicContact CD1-CE1 3.58Å; F460-Y462 AromaticContact CD1-CE2 3.94Å; F460-Y462 HydrophobicContact CD1-CE2 3.94Å; F460-Y462 AromaticContact CD1-CG 3.72Å; F460-Y462 HydrophobicContact CD1-CG 3.72Å; F460-Y462 AromaticContact CD1-CZ 3.78Å; F460-Y462 AromaticContact CE1-CD1 3.62Å; F460-Y462 HydrophobicContact CE1-CD1 3.62Å; F460-Y462 AromaticContact CE1-CE1 3.89Å; F460-Y462 HydrophobicContact CE1-CE1 3.89Å; F460-Y462 HydrophobicContact CE1-CG 4.07Å; F460-Y462 VanDerWaalsContact O-CD2 3.24Å; F460-Y462 WeakPolarHBondContact O-CD2 3.46Å; F460-Y462 PolarHBondContact O-N 3.39Å; F460-Y462 VanDerWaalsContact O-N 3.16Å; F460-A465 HydrophobicContact CE1-CB 3.78Å; F460-A465 HydrophobicContact CE2-CB 4.31Å; F460-A465 HydrophobicContact CZ-CB 3.45Å; F460-A465 VanDerWaalsContact CZ-CB 3.45Å
461D77.4Confident65.6Low98 Ų9895.5 Ų95.552%0.52454%0.536SS..  trans-82.392.5179.2-169.1-18.5000108.9D459 E463 A464 A465D459-D461 PolarHBondContact O-N 3.3Å; D459-D461 VanDerWaalsContact O-N 3.15Å; D461-E463 VanDerWaalsContact C-N 3.26Å; D461-E463 PolarHBondContact O-N 2.89Å; D461-E463 PolarHBondContact OD1-N 2.74Å; D461-A464 HydrophobicContact CB-CB 3.97Å; D461-A464 VanDerWaalsContact CG-CB 3.46Å; D461-A464 PolarHBondContact O-N 2.79Å; D461-A464 PolarHBondContact OD1-N 3.21Å; D461-A464 VanDerWaalsContact OD1-N 3.13Å; D461-A465 VanDerWaalsContact O-CB 3.29Å; D461-A465 WeakPolarHBondContact O-CB 3.38Å; D461-A465 PolarHBondContact O-N 3.09Å; D461-A465 VanDerWaalsContact O-N 3.07Å
462Y77.5Confident67.2Low50 Ų5095 Ų9520%0.19652%0.522CS..THydrogen-bonded Turntrans-62.6-33.1-177.5-70.3-85.5000112.7F460 G466 S467 S468 W529 K530F460-Y462 HydrophobicContact CB-CE2 4.37Å; F460-Y462 AromaticContact CD1-CD1 3.55Å; F460-Y462 HydrophobicContact CD1-CD1 3.55Å; F460-Y462 AromaticContact CD1-CD2 3.91Å; F460-Y462 HydrophobicContact CD1-CD2 3.91Å; F460-Y462 AromaticContact CD1-CE1 3.58Å; F460-Y462 HydrophobicContact CD1-CE1 3.58Å; F460-Y462 AromaticContact CD1-CE2 3.94Å; F460-Y462 HydrophobicContact CD1-CE2 3.94Å; F460-Y462 AromaticContact CD1-CG 3.72Å; F460-Y462 HydrophobicContact CD1-CG 3.72Å; F460-Y462 AromaticContact CD1-CZ 3.78Å; F460-Y462 AromaticContact CE1-CD1 3.62Å; F460-Y462 HydrophobicContact CE1-CD1 3.62Å; F460-Y462 AromaticContact CE1-CE1 3.89Å; F460-Y462 HydrophobicContact CE1-CE1 3.89Å; F460-Y462 HydrophobicContact CE1-CG 4.07Å; F460-Y462 VanDerWaalsContact O-CD2 3.24Å; F460-Y462 WeakPolarHBondContact O-CD2 3.46Å; F460-Y462 PolarHBondContact O-N 3.39Å; F460-Y462 VanDerWaalsContact O-N 3.16Å; Y462-G466 PolarHBondContact O-N 2.7Å; Y462-S467 WeakPolarHBondContact CD1-O 3.41Å; Y462-S467 CarbonylContact O-C 3.43Å; Y462-S467 WeakPolarHBondContact O-CA 3.36Å; Y462-S467 PolarHBondContact O-N 2.87Å; Y462-S468 PolarHBondContact O-N 2.74Å; Y462-W529 AromaticContact CD1-CD1 3.76Å; Y462-W529 AromaticContact CD1-NE1 3.47Å; Y462-W529 AromaticContact CE1-NE1 3.99Å; Y462-K530 HydrophobicContact CD2-CG 4.31Å; Y462-K530 HydrophobicContact CE2-CG 4.18Å
463E77.9Confident68.7Low132 Ų13295 Ų9562%0.61753%0.531SS*.THydrogen-bonded Turntrans-71.5-50.4-179.9-60-61.7152.700109.9D461 A465 G466D461-E463 VanDerWaalsContact C-N 3.26Å; D461-E463 PolarHBondContact O-N 2.89Å; D461-E463 PolarHBondContact OD1-N 2.74Å; E463-A465 PolarHBondContact O-N 2.78Å; E463-G466 PolarHBondContact O-N 2.88Å
464A73.8Confident70.3Confident82 Ų8297.2 Ų97.268%0.67853%0.531SS*.THydrogen-bonded Turntrans-62.8-26.5177.500000113D461 G466D461-A464 HydrophobicContact CB-CB 3.97Å; D461-A464 VanDerWaalsContact CG-CB 3.46Å; D461-A464 PolarHBondContact O-N 2.79Å; D461-A464 PolarHBondContact OD1-N 3.21Å; D461-A464 VanDerWaalsContact OD1-N 3.13Å; A464-G466 VanDerWaalsContact C-N 3.35Å
465A78.7Confident71.8Confident47 Ų4798.2 Ų98.239%0.38853%0.53SS..THydrogen-bonded Turntrans-85.60.8177.500000114.3F460 D461 E463 S467F460-A465 HydrophobicContact CE1-CB 3.78Å; F460-A465 HydrophobicContact CE2-CB 4.31Å; F460-A465 HydrophobicContact CZ-CB 3.45Å; F460-A465 VanDerWaalsContact CZ-CB 3.45Å; D461-A465 VanDerWaalsContact O-CB 3.29Å; D461-A465 WeakPolarHBondContact O-CB 3.38Å; D461-A465 PolarHBondContact O-N 3.09Å; D461-A465 VanDerWaalsContact O-N 3.07Å; E463-A465 PolarHBondContact O-N 2.78Å; A465-S467 PolarHBondContact O-N 3.19Å; A465-S467 PolarHBondContact O-OG 3.13Å
466G79.6Confident73.3Confident44 Ų4496.6 Ų96.645%0.45452%0.516SS..THydrogen-bonded Turntrans5637.7-173.900000111.7Y462 E463 A464 D471Y462-G466 PolarHBondContact O-N 2.7Å; E463-G466 PolarHBondContact O-N 2.88Å; A464-G466 VanDerWaalsContact C-N 3.35Å; G466-D471 WeakPolarHBondContact CA-OD2 3.32Å; G466-D471 WeakPolarHBondContact O-CB 3.27Å
467S81Confident74.5Confident45 Ų4598.3 Ų98.332%0.31553%0.531SS..  trans-125.233.8-176.5-64.70000109.6Y462 A465 D471 W529Y462-S467 WeakPolarHBondContact CD1-O 3.41Å; Y462-S467 CarbonylContact O-C 3.43Å; Y462-S467 WeakPolarHBondContact O-CA 3.36Å; Y462-S467 PolarHBondContact O-N 2.87Å; A465-S467 PolarHBondContact O-N 3.19Å; A465-S467 PolarHBondContact O-OG 3.13Å; S467-D471 PolarHBondContact N-OD2 3.17Å; S467-W529 VanDerWaalsContact O-CE2 3.23Å; S467-W529 WeakPolarHBondContact O-CZ2 3.19Å; S467-W529 PolarHBondContact O-NE1 2.94Å
468S83.1Confident75.9Confident6 Ų6101.5 Ų101.54%0.04253%0.534CS..SBendtrans-75.1169.2174.377.60000110.6Y462 D470 D471 W529Y462-S468 PolarHBondContact O-N 2.74Å; S468-D470 PolarHBondContact O-N 2.78Å; S468-D470 PolarHBondContact OG-N 2.82Å; S468-D471 VanDerWaalsContact CB-OD2 3.28Å; S468-D471 WeakPolarHBondContact CB-OD2 3.41Å; S468-D471 PolarHBondContact N-OD2 2.88Å; S468-D471 PolarHBondContact O-N 2.93Å; S468-D471 PolarHBondContact OG-N 3.33Å; S468-D471 PolarHBondContact OG-OD2 3.02Å; S468-W529 VanDerWaalsContact O-CZ2 3.3Å; S468-W529 WeakPolarHBondContact O-CZ2 3.31Å
469P79Confident77.1Confident32 Ų3299.9 Ų99.921%0.20853%0.527CS..G310 helixtrans-55.6-31.1170.4-24.133.9000113.8D471 F472 W529P469-D471 VanDerWaalsContact C-N 3.31Å; P469-F472 WeakPolarHBondContact O-CB 3.33Å; P469-F472 PolarHBondContact O-N 2.91Å; P469-W529 HydrophobicContact CB-CD2 4.33Å; P469-W529 HydrophobicContact CB-CE3 4.14Å; P469-W529 HydrophobicContact CG-CB 3.73Å; P469-W529 HydrophobicContact CG-CD2 3.85Å; P469-W529 HydrophobicContact CG-CE3 4.1Å; P469-W529 HydrophobicContact CG-CG 3.72Å
470D80.3Confident78.3Confident124 Ų12497.6 Ų97.666%0.66352%0.515SS*.G310 helixtrans-76.2-23.2-176-68.5-30.1000112.6S468 F472 K475S468-D470 PolarHBondContact O-N 2.78Å; S468-D470 PolarHBondContact OG-N 2.82Å; D470-F472 VanDerWaalsContact C-N 3.28Å; D470-K475 WeakPolarHBondContact O-CE 3.41Å; D470-K475 PolarHBondContact O-NZ 3.34Å
471D79.5Confident79.2Confident84 Ų8498.3 Ų98.345%0.44952%0.519SS..G310 helixtrans-80.3-4.6175.8-57.1-54000113G466 S467 S468 P469 E473G466-D471 WeakPolarHBondContact CA-OD2 3.32Å; G466-D471 WeakPolarHBondContact O-CB 3.27Å; S467-D471 PolarHBondContact N-OD2 3.17Å; S468-D471 VanDerWaalsContact CB-OD2 3.28Å; S468-D471 WeakPolarHBondContact CB-OD2 3.41Å; S468-D471 PolarHBondContact N-OD2 2.88Å; S468-D471 PolarHBondContact O-N 2.93Å; S468-D471 PolarHBondContact OG-N 3.33Å; S468-D471 PolarHBondContact OG-OD2 3.02Å; P469-D471 VanDerWaalsContact C-N 3.31Å; D471-E473 PolarHBondContact O-N 3.18Å
472F77.1Confident79.9Confident101 Ų10196 Ų9644%0.44351%0.506SS..  trans-70.6124.5179.9-166.9-115.6000111.4P469 D470 E474 K475 W529P469-F472 WeakPolarHBondContact O-CB 3.33Å; P469-F472 PolarHBondContact O-N 2.91Å; D470-F472 VanDerWaalsContact C-N 3.28Å; F472-E474 HydrophobicContact CD1-CB 4.26Å; F472-E474 VanDerWaalsContact CD1-O 3.27Å; F472-E474 WeakPolarHBondContact CD1-O 3.37Å; F472-E474 HydrophobicContact CE1-CB 3.64Å; F472-E474 VanDerWaalsContact CE1-O 3.3Å; F472-E474 WeakPolarHBondContact CE1-O 3.38Å; F472-E474 HydrophobicContact CZ-CB 4.13Å; F472-K475 WeakPolarHBondContact O-CE 3.43Å; F472-W529 HydrophobicContact CB-CH2 3.94Å; F472-W529 HydrophobicContact CB-CZ3 4.31Å; F472-W529 AromaticContact CD2-CH2 3.86Å; F472-W529 HydrophobicContact CD2-CH2 3.86Å; F472-W529 HydrophobicContact CD2-CZ3 4.37Å; F472-W529 HydrophobicContact CG-CH2 4.12Å; F472-W529 HydrophobicContact CG-CZ3 4.37Å
473E74.1Confident80.6Confident187 Ų18795.3 Ų95.387%0.87450%0.503SS*.SBendtrans-67.6-39.1-173.1-64.8178.4-176.700112.9D471 K475D471-E473 PolarHBondContact O-N 3.18Å; E473-K475 PolarHBondContact O-N 3.48Å; E473-K475 VanDerWaalsContact O-N 3.17Å
474E74.9Confident81.1Confident157 Ų15789 Ų8973%0.73447%0.474SS*.  trans-86.785-178.3-65.8176.4-162.400111.3F472F472-E474 HydrophobicContact CD1-CB 4.26Å; F472-E474 VanDerWaalsContact CD1-O 3.27Å; F472-E474 WeakPolarHBondContact CD1-O 3.37Å; F472-E474 HydrophobicContact CE1-CB 3.64Å; F472-E474 VanDerWaalsContact CE1-O 3.3Å; F472-E474 WeakPolarHBondContact CE1-O 3.38Å; F472-E474 HydrophobicContact CZ-CB 4.13Å
475K76.3Confident81.8Confident152 Ų15285.1 Ų85.166%0.66144%0.441SS*.  trans-85.6136.7176.2-60.8-171.9179.7-173.90111.1D470 F472 E473D470-K475 WeakPolarHBondContact O-CE 3.41Å; D470-K475 PolarHBondContact O-NZ 3.34Å; F472-K475 WeakPolarHBondContact O-CE 3.43Å; E473-K475 PolarHBondContact O-N 3.48Å; E473-K475 VanDerWaalsContact O-N 3.17Å
476L76.6Confident82.2Confident99 Ų9984.5 Ų84.552%0.51843%0.429SS..  trans-64.8136.7169.7-67.4175.2000109.8K478 P480 W483 P539L476-K478 PolarHBondContact O-N 3.13Å; L476-P480 HydrophobicContact CD1-CG 4.31Å; L476-W483 HydrophobicContact CD1-CH2 3.68Å; L476-W483 HydrophobicContact CD1-CZ3 4.16Å; L476-P539 HydrophobicContact CD1-CB 4.5Å
477E76.9Confident82.4Confident210 Ų21082.4 Ų82.498%0.98141%0.407SS*.SBendtrans-55.6-35.5177.6-66.4-179.3175.400112.7
478K80.4Confident82.4Confident182 Ų18283.4 Ų83.479%0.79141%0.405SS*.SBendtrans-127.4123.5175.8-171176.9-177.4178.10110.4L476 P480L476-K478 PolarHBondContact O-N 3.13Å; K478-P480 WeakPolarHBondContact O-CD 3.43Å
479A82.7Confident82.2Confident76 Ų7688.8 Ų88.863%0.62842%0.424SS*.  trans-64.2123.6175.200000110.7
480P87.9Confident82.3Confident20 Ų2092.4 Ų92.413%0.1344%0.437CS..  trans-71.7152.6176.131-36.3000110.5L476 K478 W483 N520 P539L476-P480 HydrophobicContact CD1-CG 4.31Å; K478-P480 WeakPolarHBondContact O-CD 3.43Å; P480-W483 HydrophobicContact CG-CD2 4.12Å; P480-W483 HydrophobicContact CG-CE3 3.9Å; P480-W483 HydrophobicContact CG-CH2 3.36Å; P480-W483 HydrophobicContact CG-CZ2 3.56Å; P480-W483 HydrophobicContact CG-CZ3 3.54Å; P480-N520 WeakPolarHBondContact O-CB 3.37Å; P480-N520 PolarHBondContact O-ND2 3.44Å; P480-P539 HydrophobicContact CB-CB 3.71Å; P480-P539 HydrophobicContact CG-CB 3.84Å
481K88.6Confident82.4Confident137 Ų13787 Ų8760%0.59641%0.408SS*.SBendtrans-71.6-36.1175.8-68.2179.3176.11770112.1N520 E546K481-N520 PolarHBondContact O-N 3.39Å; K481-E546 VanDerWaalsContact NZ-CD 3.34Å; K481-E546 IonicContact NZ-OE1 3.2Å; K481-E546 PolarHBondContact NZ-OE1 2.82Å; K481-E546 IonicContact NZ-OE2 3.24Å; K481-E546 PolarHBondContact NZ-OE2 3.06Å
482L91.4Very high82.3Confident49 Ų4986.5 Ų86.526%0.25741%0.411SS..EExtended strand (participates in β ladder)trans-135.1148.9-173.9-59173.9000110.4V517 F518 K519 I540L482-V517 HydrophobicContact CB-CG1 4.23Å; L482-V517 HydrophobicContact CD1-CG1 4.2Å; L482-V517 HydrophobicContact CD2-CG1 4.47Å; L482-F518 CarbonylContact C-O 3.56Å; L482-F518 WeakPolarHBondContact CA-O 3.22Å; L482-K519 HydrophobicContact CD2-CB 4.39Å; L482-K519 HydrophobicContact CD2-CG 3.93Å; L482-I540 HydrophobicContact CB-CB 4.11Å; L482-I540 HydrophobicContact CB-CD1 3.86Å; L482-I540 HydrophobicContact CB-CG1 4.22Å; L482-I540 HydrophobicContact CD1-CD1 4.47Å; L482-I540 PolarHBondContact O-N 3.28Å
483W91.9Very high82.2Confident36 Ų3689.4 Ų89.414%0.13643%0.426CS..EExtended strand (participates in β ladder)trans-106.9143.4170.5-65.1121.6000109.7L476 P480 V517 F518 N520 N525 I537 P539L476-W483 HydrophobicContact CD1-CH2 3.68Å; L476-W483 HydrophobicContact CD1-CZ3 4.16Å; P480-W483 HydrophobicContact CG-CD2 4.12Å; P480-W483 HydrophobicContact CG-CE3 3.9Å; P480-W483 HydrophobicContact CG-CH2 3.36Å; P480-W483 HydrophobicContact CG-CZ2 3.56Å; P480-W483 HydrophobicContact CG-CZ3 3.54Å; W483-V517 CarbonylContact O-C 3.26Å; W483-V517 VanDerWaalsContact O-CA 3.29Å; W483-V517 WeakPolarHBondContact O-CA 3.39Å; W483-F518 HydrophobicContact CB-CB 4.38Å; W483-F518 PolarHBondContact N-O 2.9Å; W483-F518 PolarHBondContact O-N 3.29Å; W483-N520 VanDerWaalsContact NE1-CG 3.25Å; W483-N520 PolarHBondContact NE1-OD1 3.16Å; W483-N520 VanDerWaalsContact NE1-OD1 3.08Å; W483-N525 PolarHBondContact NE1-OD1 3.16Å; W483-N525 VanDerWaalsContact NE1-OD1 3.08Å; W483-I537 HydrophobicContact CB-CG2 3.89Å; W483-I537 HydrophobicContact CD2-CG2 3.7Å; W483-I537 HydrophobicContact CE3-CG2 3.42Å; W483-I537 VanDerWaalsContact CE3-CG2 3.42Å; W483-I537 HydrophobicContact CG-CG2 3.92Å; W483-I537 HydrophobicContact CZ3-CG2 4.1Å; W483-P539 HydrophobicContact CE3-CB 4.29Å; W483-P539 HydrophobicContact CZ3-CB 3.84Å
484V88.5Confident82.6Confident0 Ų082 Ų820%039%0.391CS..EExtended strand (participates in β ladder)trans-105.4123.915865.40000108.1M515 I537 N538 I540 L557V484-M515 HydrophobicContact CG2-CG 3.24Å; V484-M515 HydrophobicContact CG2-SD 3.57Å; V484-M515 VanDerWaalsContact CG2-SD 3.57Å; V484-I537 WeakPolarHBondContact O-CA 3.43Å; V484-N538 HydrophobicContact CG1-CB 3.78Å; V484-N538 WeakPolarHBondContact CG1-O 3.49Å; V484-N538 PolarHBondContact N-O 3.26Å; V484-N538 PolarHBondContact O-N 2.69Å; V484-I540 HydrophobicContact CB-CD1 4.08Å; V484-I540 HydrophobicContact CB-CG1 3.95Å; V484-I540 HydrophobicContact CG1-CG1 4.24Å; V484-L557 HydrophobicContact CB-CD2 4.28Å; V484-L557 HydrophobicContact CG2-CD2 3.94Å
485A89.9Confident83Confident0 Ų077.1 Ų77.10%037%0.373CS..EExtended strand (participates in β ladder)trans-115.5136.2177.100000110.8F506 K516 F518 L528 I535 E536 I537A485-F506 HydrophobicContact CB-CZ 4.15Å; A485-K516 PolarHBondContact N-O 3.44Å; A485-K516 PolarHBondContact O-N 2.9Å; A485-F518 HydrophobicContact CB-CD2 3.9Å; A485-F518 HydrophobicContact CB-CE2 3.81Å; A485-L528 HydrophobicContact CB-CD2 3.96Å; A485-I535 HydrophobicContact CB-CD1 4.41Å; A485-E536 WeakPolarHBondContact CA-O 3.43Å; A485-I537 HydrophobicContact CB-CG1 4.11Å
486W85.7Confident83.3Confident33 Ų3380.5 Ų80.513%0.12538%0.381CS..EExtended strand (participates in β ladder)trans-111130.1-179.8-75.189000110.2Y488 L513 M515 I535 E536 P559W486-Y488 HydrophobicContact CB-CD2 3.73Å; W486-Y488 HydrophobicContact CB-CE1 4.45Å; W486-Y488 HydrophobicContact CB-CE2 3.13Å; W486-Y488 AromaticContact CG-CE2 3.87Å; W486-Y488 HydrophobicContact CG-CE2 3.87Å; W486-Y488 AromaticContact CG-CZ 3.93Å; W486-Y488 WeakPolarHBondContact O-CD2 3.4Å; W486-Y488 PolarHBondContact O-N 3.06Å; W486-L513 HydrophobicContact CE3-CB 4.44Å; W486-L513 HydrophobicContact CE3-CD2 4.23Å; W486-L513 HydrophobicContact CZ3-CB 4.3Å; W486-L513 HydrophobicContact CZ3-CD2 4.4Å; W486-L513 VanDerWaalsContact CZ3-O 3.25Å; W486-L513 WeakPolarHBondContact CZ3-O 3.39Å; W486-M515 HydrophobicContact CD2-CB 4.25Å; W486-M515 HydrophobicContact CD2-CG 4.29Å; W486-M515 HydrophobicContact CE3-CB 4.22Å; W486-M515 HydrophobicContact CH2-CB 4.04Å; W486-M515 HydrophobicContact CH2-CG 4.33Å; W486-M515 HydrophobicContact CH2-SD 4.08Å; W486-M515 HydrophobicContact CZ2-CB 4.06Å; W486-M515 HydrophobicContact CZ2-CG 3.85Å; W486-M515 HydrophobicContact CZ2-SD 3.44Å; W486-M515 WeakPolarHBondContact CZ2-SD 3.46Å; W486-M515 HydrophobicContact CZ3-CB 4.12Å; W486-I535 CarbonylContact O-C 3.4Å; W486-I535 WeakPolarHBondContact O-CA 3.38Å; W486-I535 VanDerWaalsContact O-CB 3.25Å; W486-I535 WeakPolarHBondContact O-CB 3.46Å; W486-E536 PolarHBondContact N-O 3.34Å; W486-E536 PolarHBondContact O-N 2.81Å; W486-E536 VanDerWaalsContact O-N 3.14Å; W486-P559 HydrophobicContact CH2-CB 4.36Å; W486-P559 HydrophobicContact CH2-CG 4.29Å; W486-P559 HydrophobicContact CZ2-CB 3.61Å; W486-P559 HydrophobicContact CZ2-CG 3.91Å
487L85Confident83.7Confident0 Ų078.8 Ų78.80%037%0.373CS..EExtended strand (participates in β ladder)trans-85.5105.5171.9-174.568.5000111.7R489 T502 F506 P510 L513 D514 L534 I535L487-R489 WeakPolarHBondContact CD1-O 3.48Å; L487-T502 HydrophobicContact CD1-CG2 3.78Å; L487-T502 HydrophobicContact CD2-CG2 4Å; L487-F506 HydrophobicContact CB-CD1 3.74Å; L487-F506 HydrophobicContact CB-CD2 4.26Å; L487-F506 HydrophobicContact CB-CE1 3.78Å; L487-F506 HydrophobicContact CB-CE2 4.31Å; L487-F506 HydrophobicContact CB-CG 3.99Å; L487-F506 HydrophobicContact CB-CZ 4.07Å; L487-F506 HydrophobicContact CD1-CD2 4.29Å; L487-F506 HydrophobicContact CD1-CE2 4.37Å; L487-F506 HydrophobicContact CD2-CB 4.09Å; L487-F506 HydrophobicContact CD2-CD2 4.44Å; L487-F506 HydrophobicContact CD2-CG 4.15Å; L487-P510 HydrophobicContact CD2-CB 3.58Å; L487-P510 HydrophobicContact CD2-CG 4.44Å; L487-L513 PolarHBondContact O-N 3.43Å; L487-D514 PolarHBondContact N-O 3.05Å; L487-D514 VanDerWaalsContact N-O 3.13Å; L487-L534 HydrophobicContact CD1-CB 4Å; L487-I535 HydrophobicContact CD1-CG2 3.97Å
488Y81.3Confident84.2Confident66 Ų6669.6 Ų69.626%0.25933%0.331SS..  trans-96.3-18-178.5-73.3-70.7000114.5W486 L512 L513 L534 E536 L593W486-Y488 HydrophobicContact CB-CD2 3.73Å; W486-Y488 HydrophobicContact CB-CE1 4.45Å; W486-Y488 HydrophobicContact CB-CE2 3.13Å; W486-Y488 AromaticContact CG-CE2 3.87Å; W486-Y488 HydrophobicContact CG-CE2 3.87Å; W486-Y488 AromaticContact CG-CZ 3.93Å; W486-Y488 WeakPolarHBondContact O-CD2 3.4Å; W486-Y488 PolarHBondContact O-N 3.06Å; Y488-L512 WeakPolarHBondContact O-CD2 3.36Å; Y488-L513 HydrophobicContact CD1-CD2 3.8Å; Y488-L513 HydrophobicContact CE1-CD2 3.48Å; Y488-L513 VanDerWaalsContact CE1-CD2 3.48Å; Y488-L534 PolarHBondContact N-O 2.84Å; Y488-E536 HydrophobicContact CD2-CB 3.72Å; Y488-E536 HydrophobicContact CE2-CB 3.29Å; Y488-E536 HydrophobicContact CE2-CG 4.25Å; Y488-E536 WeakPolarHBondContact CE2-OE2 3.37Å; Y488-E536 PolarHBondContact OH-OE2 3.03Å; Y488-L593 HydrophobicContact CD1-CD1 3.59Å; Y488-L593 HydrophobicContact CD1-CD2 3.39Å; Y488-L593 HydrophobicContact CD1-CG 4.11Å; Y488-L593 HydrophobicContact CE1-CD1 4.02Å; Y488-L593 HydrophobicContact CE1-CD2 3.37Å; Y488-L593 HydrophobicContact CE1-CG 4.26Å; Y488-L593 HydrophobicContact CG-CD2 4.5Å
489R78.4Confident84.6Confident120 Ų12065.2 Ų65.245%0.45331%0.309SS..SBendtrans-132.2134.7-177.1-169.1176.2-175.5-155.32.8112.4L487 E494 L534L487-R489 WeakPolarHBondContact CD1-O 3.48Å; R489-E494 IonicContact NH1-OE1 3.5Å; R489-L534 HydrophobicContact CB-CB 4.44Å; R489-L534 HydrophobicContact CB-CD2 3.84Å; R489-L534 HydrophobicContact CG-CD2 3.96Å; R489-L534 PolarHBondContact N-O 2.82Å
490K80.8Confident84.9Confident108 Ų10865.6 Ų65.647%0.4730%0.298SS..  trans-69.6135174-69-176.2178.9177.20109.5S492 L512K490-S492 PolarHBondContact O-N 3.4Å; K490-L512 HydrophobicContact CD-CD1 4.28Å; K490-L512 HydrophobicContact CD-CG 4.35Å; K490-L512 HydrophobicContact CG-CD1 3.97Å; K490-L512 HydrophobicContact CG-CD2 3.76Å; K490-L512 HydrophobicContact CG-CG 3.71Å
491P82.8Confident85.1Confident11 Ų1164.9 Ų64.97%0.07129%0.293CS..G310 helixtrans-77.225.4-177.334.4-38.9000113.5Q493 E494 R499 T502 P510 L534P491-Q493 PolarHBondContact O-N 2.84Å; P491-Q493 VanDerWaalsContact O-N 3.16Å; P491-E494 HydrophobicContact CB-CB 4.14Å; P491-E494 HydrophobicContact CB-CG 3.88Å; P491-E494 WeakPolarHBondContact O-CB 3.14Å; P491-E494 PolarHBondContact O-N 3.32Å; P491-R499 HydrophobicContact CB-CG 3.91Å; P491-R499 HydrophobicContact CG-CG 4.36Å; P491-R499 WeakPolarHBondContact O-CG 3.43Å; P491-R499 PolarHBondContact O-NE 2.69Å; P491-R499 VanDerWaalsContact O-NE 3.12Å; P491-T502 HydrophobicContact CB-CG2 4.39Å; P491-T502 HydrophobicContact CG-CG2 3.93Å; P491-P510 HydrophobicContact CG-CG 4.07Å; P491-L534 HydrophobicContact CB-CD1 3.92Å
492S77Confident85.2Confident73 Ų7358.3 Ų58.351%0.5127%0.265SS..G310 helixtrans-60-30.9-171.4-57.10000113.9K490 R499K490-S492 PolarHBondContact O-N 3.4Å; S492-R499 VanDerWaalsContact O-CZ 3.25Å; S492-R499 PolarHBondContact O-NH2 2.81Å
493Q76.2Confident85.2Confident162 Ų16260.1 Ų60.176%0.75727%0.27SS*.G310 helixtrans-100.40.8179.7-59.8-58.8-28.600113.5P491P491-Q493 PolarHBondContact O-N 2.84Å; P491-Q493 VanDerWaalsContact O-N 3.16Å
494E81.2Confident85.2Confident30 Ų3064.3 Ų64.314%0.1429%0.291CS..SBendtrans-81.6171.3-172.8-61.1-59.2146.500113.4R489 P491 V498 R499 H533 L534R489-E494 IonicContact NH1-OE1 3.5Å; P491-E494 HydrophobicContact CB-CB 4.14Å; P491-E494 HydrophobicContact CB-CG 3.88Å; P491-E494 WeakPolarHBondContact O-CB 3.14Å; P491-E494 PolarHBondContact O-N 3.32Å; E494-V498 HydrophobicContact CB-CB 3.96Å; E494-V498 HydrophobicContact CB-CG1 3.65Å; E494-V498 HydrophobicContact CG-CG1 3.87Å; E494-R499 HydrophobicContact CB-CG 4.13Å; E494-R499 PolarHBondContact O-NE 2.84Å; E494-R499 PolarHBondContact O-NH2 3.21Å; E494-H533 IonicContact OE1-CD2 2.76Å; E494-H533 PolarHBondContact OE1-CD2 3.24Å; E494-H533 IonicContact OE1-NE2 3.52Å; E494-H533 PolarHBondContact OE1-NE2 2.97Å; E494-H533 IonicContact OE2-CD2 2.77Å; E494-H533 IonicContact OE2-CE1 2.87Å; E494-H533 IonicContact OE2-NE2 2.94Å; E494-H533 PolarHBondContact OE2-NE2 3.35Å; E494-L534 HydrophobicContact CG-CD1 4.1Å; E494-L534 HydrophobicContact CG-CD2 4.11Å
495T82.8Confident85.4Confident56 Ų5665 Ų6534%0.34430%0.295SS..  trans-65.4163.917376.60000111.1D459 N497 V498 R499D459-T495 WeakPolarHBondContact OD1-CB 2.96Å; D459-T495 PolarHBondContact OD1-OG1 3.16Å; T495-N497 PolarHBondContact O-N 3.21Å; T495-V498 PolarHBondContact O-N 2.85Å; T495-V498 WeakPolarHBondContact OG1-CG2 3.25Å; T495-V498 PolarHBondContact OG1-N 3.02Å; T495-R499 WeakPolarHBondContact O-CB 3.48Å; T495-R499 VanDerWaalsContact O-CG 3.3Å; T495-R499 WeakPolarHBondContact O-CG 3.36Å; T495-R499 PolarHBondContact O-N 3.38Å
496R83.3Confident85.4Confident222 Ų22265.2 Ų65.284%0.83830%0.296SS*.Hα-helixtrans-59.7-39.2179.2-176.7-178.5178.9-177.30111.2Q500R496-Q500 WeakPolarHBondContact O-CB 3.44Å; R496-Q500 PolarHBondContact O-N 3.24Å
497N84.4Confident85.5Confident64 Ų6465.2 Ų65.234%0.34231%0.306SS..Hα-helixtrans-70.4-48.6-179.1-168.111.5000111.5D459 T495 R499 Q500 I501D459-N497 WeakPolarHBondContact OD2-CB 3.36Å; D459-N497 VanDerWaalsContact OD2-CG 3.3Å; D459-N497 PolarHBondContact OD2-ND2 2.91Å; T495-N497 PolarHBondContact O-N 3.21Å; N497-R499 VanDerWaalsContact C-N 3.28Å; N497-R499 PolarHBondContact O-N 2.94Å; N497-Q500 CarbonylContact O-C 3.54Å; N497-Q500 WeakPolarHBondContact O-CA 3.3Å; N497-Q500 WeakPolarHBondContact O-CB 3.45Å; N497-Q500 PolarHBondContact O-N 2.87Å; N497-I501 WeakPolarHBondContact O-CG1 3.34Å; N497-I501 PolarHBondContact O-N 2.9Å
498V87.5Confident85.5Confident16 Ų1669.7 Ų69.710%0.09734%0.337CS..Hα-helixtrans-56-44.3174.81750000110.8E494 T495 Q500 I501 T502 I531 L534E494-V498 HydrophobicContact CB-CB 3.96Å; E494-V498 HydrophobicContact CB-CG1 3.65Å; E494-V498 HydrophobicContact CG-CG1 3.87Å; T495-V498 PolarHBondContact O-N 2.85Å; T495-V498 WeakPolarHBondContact OG1-CG2 3.25Å; T495-V498 PolarHBondContact OG1-N 3.02Å; V498-Q500 VanDerWaalsContact C-N 3.29Å; V498-Q500 PolarHBondContact O-N 2.85Å; V498-I501 PolarHBondContact O-N 2.76Å; V498-T502 PolarHBondContact O-N 3.29Å; V498-T502 PolarHBondContact O-OG1 2.81Å; V498-I531 HydrophobicContact CG1-CG2 3.97Å; V498-L534 HydrophobicContact CG1-CD1 4.06Å
499R88.5Confident85.5Confident90 Ų9071.7 Ų71.734%0.3436%0.359SS..Hα-helixtrans-59.9-37.3173.9-73.4174.9-156.7-1764.8113.4P491 S492 E494 T495 N497 K503P491-R499 HydrophobicContact CB-CG 3.91Å; P491-R499 HydrophobicContact CG-CG 4.36Å; P491-R499 WeakPolarHBondContact O-CG 3.43Å; P491-R499 PolarHBondContact O-NE 2.69Å; P491-R499 VanDerWaalsContact O-NE 3.12Å; S492-R499 VanDerWaalsContact O-CZ 3.25Å; S492-R499 PolarHBondContact O-NH2 2.81Å; E494-R499 HydrophobicContact CB-CG 4.13Å; E494-R499 PolarHBondContact O-NE 2.84Å; E494-R499 PolarHBondContact O-NH2 3.21Å; T495-R499 WeakPolarHBondContact O-CB 3.48Å; T495-R499 VanDerWaalsContact O-CG 3.3Å; T495-R499 WeakPolarHBondContact O-CG 3.36Å; T495-R499 PolarHBondContact O-N 3.38Å; N497-R499 VanDerWaalsContact C-N 3.28Å; N497-R499 PolarHBondContact O-N 2.94Å; R499-K503 VanDerWaalsContact O-CG 3.26Å; R499-K503 WeakPolarHBondContact O-CG 3.31Å; R499-K503 PolarHBondContact O-N 2.84Å; R499-K503 VanDerWaalsContact O-N 3.12Å
500Q89.8Confident85.7Confident85 Ų8567 Ų6740%0.39734%0.343SS..Hα-helixtrans-71.4-46.2-179.6-17657.833.400110.5R496 N497 V498 T502 K503 E504R496-Q500 WeakPolarHBondContact O-CB 3.44Å; R496-Q500 PolarHBondContact O-N 3.24Å; N497-Q500 CarbonylContact O-C 3.54Å; N497-Q500 WeakPolarHBondContact O-CA 3.3Å; N497-Q500 WeakPolarHBondContact O-CB 3.45Å; N497-Q500 PolarHBondContact O-N 2.87Å; V498-Q500 VanDerWaalsContact C-N 3.29Å; V498-Q500 PolarHBondContact O-N 2.85Å; Q500-T502 PolarHBondContact O-N 2.77Å; Q500-K503 WeakPolarHBondContact O-CB 3.4Å; Q500-K503 PolarHBondContact O-N 2.81Å; Q500-K503 VanDerWaalsContact O-N 3.08Å; Q500-E504 WeakPolarHBondContact CG-OE1 3.36Å; Q500-E504 PolarHBondContact NE2-OE1 2.79Å; Q500-E504 WeakPolarHBondContact O-CG 3.37Å; Q500-E504 PolarHBondContact O-N 2.93Å
501I91.1Very high85.6Confident4 Ų470.9 Ų70.92%0.02136%0.355CS..Hα-helixtrans-58.4-46.5173.9-64165.1000110.5N497 V498 K503 E504 L505 K530 I531N497-I501 WeakPolarHBondContact O-CG1 3.34Å; N497-I501 PolarHBondContact O-N 2.9Å; V498-I501 PolarHBondContact O-N 2.76Å; I501-K503 VanDerWaalsContact C-N 3.26Å; I501-K503 PolarHBondContact O-N 3.17Å; I501-E504 PolarHBondContact O-N 2.84Å; I501-E504 VanDerWaalsContact O-N 3.17Å; I501-L505 HydrophobicContact CG2-CD1 3.69Å; I501-L505 HydrophobicContact CG2-CG 4.28Å; I501-L505 VanDerWaalsContact O-CG 3.3Å; I501-L505 WeakPolarHBondContact O-CG 3.35Å; I501-L505 PolarHBondContact O-N 3.46Å; I501-K530 HydrophobicContact CD1-CB 4.05Å; I501-K530 HydrophobicContact CD1-CD 3.58Å; I501-K530 HydrophobicContact CD1-CG 4.45Å; I501-I531 HydrophobicContact CB-CG2 4.23Å; I501-I531 HydrophobicContact CG2-CG2 3.84Å
502T91.5Very high85.4Confident0 Ų071.9 Ų71.90%036%0.36CS..Hα-helixtrans-60.2-37.3176.6-49.60000112L487 P491 V498 Q500 F506 P510L487-T502 HydrophobicContact CD1-CG2 3.78Å; L487-T502 HydrophobicContact CD2-CG2 4Å; P491-T502 HydrophobicContact CB-CG2 4.39Å; P491-T502 HydrophobicContact CG-CG2 3.93Å; V498-T502 PolarHBondContact O-N 3.29Å; V498-T502 PolarHBondContact O-OG1 2.81Å; Q500-T502 PolarHBondContact O-N 2.77Å; T502-F506 HydrophobicContact CG2-CD2 4.25Å; T502-F506 WeakPolarHBondContact O-CB 3.42Å; T502-F506 PolarHBondContact O-N 3.23Å; T502-P510 HydrophobicContact CG2-CB 4.16Å; T502-P510 HydrophobicContact CG2-CG 4.3Å
503K91.4Very high85.2Confident86 Ų8669.8 Ų69.837%0.37434%0.343SS..Hα-helixtrans-69.2-36.8176.3-76.3173.6179.2-169.70113R499 Q500 I501 G507R499-K503 VanDerWaalsContact O-CG 3.26Å; R499-K503 WeakPolarHBondContact O-CG 3.31Å; R499-K503 PolarHBondContact O-N 2.84Å; R499-K503 VanDerWaalsContact O-N 3.12Å; Q500-K503 WeakPolarHBondContact O-CB 3.4Å; Q500-K503 PolarHBondContact O-N 2.81Å; Q500-K503 VanDerWaalsContact O-N 3.08Å; I501-K503 VanDerWaalsContact C-N 3.26Å; I501-K503 PolarHBondContact O-N 3.17Å; K503-G507 WeakPolarHBondContact CA-O 3.49Å; K503-G507 CarbonylContact O-C 3.54Å; K503-G507 VanDerWaalsContact O-C 3.26Å; K503-G507 WeakPolarHBondContact O-CA 3.44Å; K503-G507 PolarHBondContact O-N 2.78Å
504E91.6Very high85.3Confident125 Ų12563.7 Ų63.758%0.58432%0.315SS*.Hα-helixtrans-68-38.3176.7-74165.7-165.400111.1Q500 I501Q500-E504 WeakPolarHBondContact CG-OE1 3.36Å; Q500-E504 PolarHBondContact NE2-OE1 2.79Å; Q500-E504 WeakPolarHBondContact O-CG 3.37Å; Q500-E504 PolarHBondContact O-N 2.93Å; I501-E504 PolarHBondContact O-N 2.84Å; I501-E504 VanDerWaalsContact O-N 3.17Å
505L92.3Very high85.3Confident14 Ų1465.3 Ų65.37%0.07332%0.324CS..Hα-helixtrans-79.3-40.2-179.3-64.1174.8000113.6I501 F518 W524 Q527 L528 I531I501-L505 HydrophobicContact CG2-CD1 3.69Å; I501-L505 HydrophobicContact CG2-CG 4.28Å; I501-L505 VanDerWaalsContact O-CG 3.3Å; I501-L505 WeakPolarHBondContact O-CG 3.35Å; I501-L505 PolarHBondContact O-N 3.46Å; L505-F518 HydrophobicContact CB-CE1 4.47Å; L505-F518 HydrophobicContact CB-CZ 4.1Å; L505-F518 HydrophobicContact CD2-CD1 4.39Å; L505-F518 HydrophobicContact CD2-CE1 3.54Å; L505-F518 HydrophobicContact CD2-CZ 3.96Å; L505-W524 HydrophobicContact CD2-CE3 3.88Å; L505-W524 HydrophobicContact CD2-CZ3 3.46Å; L505-W524 VanDerWaalsContact CD2-CZ3 3.46Å; L505-Q527 HydrophobicContact CD1-CB 4.32Å; L505-Q527 HydrophobicContact CD2-CB 4.44Å; L505-L528 HydrophobicContact CD1-CD2 4.33Å; L505-I531 HydrophobicContact CD1-CD1 3.47Å; L505-I531 VanDerWaalsContact CD1-CD1 3.47Å; L505-I531 HydrophobicContact CD1-CG1 4.14Å
506F91.2Very high85.7Confident4 Ų466.6 Ų66.62%0.01832%0.324CS..Hα-helixtrans-120.410-171.6-64.9-86.6000114.3A485 L487 T502 P510 D514 K516 F518 I531 I535A485-F506 HydrophobicContact CB-CZ 4.15Å; L487-F506 HydrophobicContact CB-CD1 3.74Å; L487-F506 HydrophobicContact CB-CD2 4.26Å; L487-F506 HydrophobicContact CB-CE1 3.78Å; L487-F506 HydrophobicContact CB-CE2 4.31Å; L487-F506 HydrophobicContact CB-CG 3.99Å; L487-F506 HydrophobicContact CB-CZ 4.07Å; L487-F506 HydrophobicContact CD1-CD2 4.29Å; L487-F506 HydrophobicContact CD1-CE2 4.37Å; L487-F506 HydrophobicContact CD2-CB 4.09Å; L487-F506 HydrophobicContact CD2-CD2 4.44Å; L487-F506 HydrophobicContact CD2-CG 4.15Å; T502-F506 HydrophobicContact CG2-CD2 4.25Å; T502-F506 WeakPolarHBondContact O-CB 3.42Å; T502-F506 PolarHBondContact O-N 3.23Å; F506-P510 HydrophobicContact CB-CB 4.06Å; F506-D514 HydrophobicContact CD1-CB 4.13Å; F506-D514 WeakPolarHBondContact CE1-O 3.47Å; F506-K516 HydrophobicContact CD1-CB 4.37Å; F506-K516 HydrophobicContact CD1-CG 3.72Å; F506-K516 HydrophobicContact CE1-CB 4.06Å; F506-K516 HydrophobicContact CE1-CG 3.92Å; F506-F518 HydrophobicContact CZ-CE2 4.47Å; F506-I531 HydrophobicContact CD2-CD1 4.39Å; F506-I531 HydrophobicContact CE2-CD1 3.78Å; F506-I535 HydrophobicContact CE2-CG2 3.75Å; F506-I535 HydrophobicContact CZ-CG2 3.82Å
507G87.3Confident86Confident33 Ų3359.5 Ų59.534%0.3431%0.306SS..THydrogen-bonded Turntrans82.7174179.300000115.3K503 P509 P510K503-G507 WeakPolarHBondContact CA-O 3.49Å; K503-G507 CarbonylContact O-C 3.54Å; K503-G507 VanDerWaalsContact O-C 3.26Å; K503-G507 WeakPolarHBondContact O-CA 3.44Å; K503-G507 PolarHBondContact O-N 2.78Å; G507-P509 CarbonylContact O-C 3.26Å; G507-P510 WeakPolarHBondContact O-CA 3.37Å; G507-P510 WeakPolarHBondContact O-CD 3.42Å; G507-P510 VanDerWaalsContact O-N 3.08Å
508S86Confident86.4Confident94 Ų9457.1 Ų57.166%0.65729%0.292SS*.THydrogen-bonded Turntrans-124.7116.3-179.5178.50000111.6
509P81.4Confident86.6Confident109 Ų10962.9 Ų62.971%0.70832%0.316SS*.THydrogen-bonded Turncis-73.4146.8-6.331.5-33.9000111.8G507 R511G507-P509 CarbonylContact O-C 3.26Å; P509-R511 PolarHBondContact O-N 3.47Å
510P81.7Confident86.6Confident20 Ų2060.5 Ų60.513%0.1331%0.31CS..THydrogen-bonded Turntrans-68127.5179.127.7-34.1000110.1L487 P491 T502 F506 G507L487-P510 HydrophobicContact CD2-CB 3.58Å; L487-P510 HydrophobicContact CD2-CG 4.44Å; P491-P510 HydrophobicContact CG-CG 4.07Å; T502-P510 HydrophobicContact CG2-CB 4.16Å; T502-P510 HydrophobicContact CG2-CG 4.3Å; F506-P510 HydrophobicContact CB-CB 4.06Å; G507-P510 WeakPolarHBondContact O-CA 3.37Å; G507-P510 WeakPolarHBondContact O-CD 3.42Å; G507-P510 VanDerWaalsContact O-N 3.08Å
511R78.6Confident86.5Confident191 Ų19158.9 Ų58.972%0.72131%0.306SS*.PPolyproline II helixtrans-83.4131.8178.6-73.5-173.6-93.5-169-5.4109.4P509 D514P509-R511 PolarHBondContact O-N 3.47Å; R511-D514 HydrophobicContact CB-CB 4.13Å; R511-D514 VanDerWaalsContact O-CB 3.24Å; R511-D514 WeakPolarHBondContact O-CB 3.49Å; R511-D514 PolarHBondContact O-N 3.46Å
512L78.6Confident86.3Confident32 Ų3264.3 Ų64.317%0.16834%0.341CS..THydrogen-bonded Turntrans-62.8145.8170.3-75.6179.4000108.7Y488 K490 D514Y488-L512 WeakPolarHBondContact O-CD2 3.36Å; K490-L512 HydrophobicContact CD-CD1 4.28Å; K490-L512 HydrophobicContact CD-CG 4.35Å; K490-L512 HydrophobicContact CG-CD1 3.97Å; K490-L512 HydrophobicContact CG-CD2 3.76Å; K490-L512 HydrophobicContact CG-CG 3.71Å; L512-D514 PolarHBondContact O-N 3.19Å
513L73.4Confident86.2Confident28 Ų2871.1 Ų71.115%0.14737%0.368CS..THydrogen-bonded Turntrans62.714.8-176.4-60.4159.7000113.8W486 L487 Y488 M515 I589 L593W486-L513 HydrophobicContact CE3-CB 4.44Å; W486-L513 HydrophobicContact CE3-CD2 4.23Å; W486-L513 HydrophobicContact CZ3-CB 4.3Å; W486-L513 HydrophobicContact CZ3-CD2 4.4Å; W486-L513 VanDerWaalsContact CZ3-O 3.25Å; W486-L513 WeakPolarHBondContact CZ3-O 3.39Å; L487-L513 PolarHBondContact O-N 3.43Å; Y488-L513 HydrophobicContact CD1-CD2 3.8Å; Y488-L513 HydrophobicContact CE1-CD2 3.48Å; Y488-L513 VanDerWaalsContact CE1-CD2 3.48Å; L513-M515 PolarHBondContact O-N 3.38Å; L513-I589 HydrophobicContact CD1-CB 3.53Å; L513-I589 HydrophobicContact CD1-CD1 3.94Å; L513-I589 HydrophobicContact CD1-CG1 4.35Å; L513-I589 HydrophobicContact CD1-CG2 3.21Å; L513-I589 HydrophobicContact CD2-CG2 3.74Å; L513-I589 HydrophobicContact CG-CG2 4.06Å; L513-L593 HydrophobicContact CD1-CD1 4.26Å; L513-L593 HydrophobicContact CD2-CD1 3.6Å; L513-L593 HydrophobicContact CG-CD1 4.08Å
514D77.6Confident86.2Confident35 Ų3570.9 Ų70.919%0.18737%0.365CS..  trans-67.2128.9169.6-163.918.3000108.6L487 F506 R511 L512 K516L487-D514 PolarHBondContact N-O 3.05Å; L487-D514 VanDerWaalsContact N-O 3.13Å; F506-D514 HydrophobicContact CD1-CB 4.13Å; F506-D514 WeakPolarHBondContact CE1-O 3.47Å; R511-D514 HydrophobicContact CB-CB 4.13Å; R511-D514 VanDerWaalsContact O-CB 3.24Å; R511-D514 WeakPolarHBondContact O-CB 3.49Å; R511-D514 PolarHBondContact O-N 3.46Å; L512-D514 PolarHBondContact O-N 3.19Å; D514-K516 WeakPolarHBondContact OD2-CE 3.17Å; D514-K516 IonicContact OD2-NZ 2.66Å
515M82.4Confident86.2Confident63 Ų6366.9 Ų66.931%0.3135%0.348SS..EExtended strand (participates in β ladder)trans-106.3121.7-176.7-175.8-174.769.400107.9V484 W486 L513 L557V484-M515 HydrophobicContact CG2-CG 3.24Å; V484-M515 HydrophobicContact CG2-SD 3.57Å; V484-M515 VanDerWaalsContact CG2-SD 3.57Å; W486-M515 HydrophobicContact CD2-CB 4.25Å; W486-M515 HydrophobicContact CD2-CG 4.29Å; W486-M515 HydrophobicContact CE3-CB 4.22Å; W486-M515 HydrophobicContact CH2-CB 4.04Å; W486-M515 HydrophobicContact CH2-CG 4.33Å; W486-M515 HydrophobicContact CH2-SD 4.08Å; W486-M515 HydrophobicContact CZ2-CB 4.06Å; W486-M515 HydrophobicContact CZ2-CG 3.85Å; W486-M515 HydrophobicContact CZ2-SD 3.44Å; W486-M515 WeakPolarHBondContact CZ2-SD 3.46Å; W486-M515 HydrophobicContact CZ3-CB 4.12Å; L513-M515 PolarHBondContact O-N 3.38Å; M515-L557 HydrophobicContact CE-CB 4.29Å; M515-L557 HydrophobicContact CE-CD2 3.84Å; M515-L557 HydrophobicContact CE-CG 4.21Å; M515-L557 HydrophobicContact SD-CD2 4.12Å; M515-L557 HydrophobicContact SD-CG 4.38Å
516K90.2Very high86Confident83 Ų8367.2 Ų67.236%0.36136%0.355SS..EExtended strand (participates in β ladder)trans-126.7139.9-179.5-67.5-69.1-177.4-175.70110.4A485 F506 D514 F518A485-K516 PolarHBondContact N-O 3.44Å; A485-K516 PolarHBondContact O-N 2.9Å; F506-K516 HydrophobicContact CD1-CB 4.37Å; F506-K516 HydrophobicContact CD1-CG 3.72Å; F506-K516 HydrophobicContact CE1-CB 4.06Å; F506-K516 HydrophobicContact CE1-CG 3.92Å; D514-K516 WeakPolarHBondContact OD2-CE 3.17Å; D514-K516 IonicContact OD2-NZ 2.66Å; K516-F518 HydrophobicContact CB-CD2 4.31Å; K516-F518 HydrophobicContact CB-CE2 3.39Å; K516-F518 HydrophobicContact CB-CZ 3.56Å; K516-F518 HydrophobicContact CG-CZ 4.4Å
517V90Very high86Confident74 Ų7468.7 Ų68.745%0.44836%0.362SS..EExtended strand (participates in β ladder)trans-97.6130.7177.3178.60000109L482 W483 I540 L557L482-V517 HydrophobicContact CB-CG1 4.23Å; L482-V517 HydrophobicContact CD1-CG1 4.2Å; L482-V517 HydrophobicContact CD2-CG1 4.47Å; W483-V517 CarbonylContact O-C 3.26Å; W483-V517 VanDerWaalsContact O-CA 3.29Å; W483-V517 WeakPolarHBondContact O-CA 3.39Å; V517-I540 HydrophobicContact CB-CD1 4.36Å; V517-I540 HydrophobicContact CG1-CD1 3.62Å; V517-I540 HydrophobicContact CG2-CD1 3.91Å; V517-L557 HydrophobicContact CG2-CD2 3.59Å
518F92.1Very high86.2Confident13 Ų1367.2 Ų67.26%0.05735%0.346CS..EExtended strand (participates in β ladder)trans-123.5145.3-179.9-62.3-81.4000110.3L482 W483 A485 L505 F506 K516 W524 L528L482-F518 CarbonylContact C-O 3.56Å; L482-F518 WeakPolarHBondContact CA-O 3.22Å; W483-F518 HydrophobicContact CB-CB 4.38Å; W483-F518 PolarHBondContact N-O 2.9Å; W483-F518 PolarHBondContact O-N 3.29Å; A485-F518 HydrophobicContact CB-CD2 3.9Å; A485-F518 HydrophobicContact CB-CE2 3.81Å; L505-F518 HydrophobicContact CB-CE1 4.47Å; L505-F518 HydrophobicContact CB-CZ 4.1Å; L505-F518 HydrophobicContact CD2-CD1 4.39Å; L505-F518 HydrophobicContact CD2-CE1 3.54Å; L505-F518 HydrophobicContact CD2-CZ 3.96Å; F506-F518 HydrophobicContact CZ-CE2 4.47Å; K516-F518 HydrophobicContact CB-CD2 4.31Å; K516-F518 HydrophobicContact CB-CE2 3.39Å; K516-F518 HydrophobicContact CB-CZ 3.56Å; K516-F518 HydrophobicContact CG-CZ 4.4Å; F518-W524 AromaticContact CD1-CD2 3.95Å; F518-W524 HydrophobicContact CD1-CD2 3.95Å; F518-W524 AromaticContact CD1-CE3 3.62Å; F518-W524 HydrophobicContact CD1-CE3 3.62Å; F518-W524 HydrophobicContact CD1-CH2 4.49Å; F518-W524 AromaticContact CD1-CZ3 3.94Å; F518-W524 HydrophobicContact CD1-CZ3 3.94Å; F518-W524 HydrophobicContact CE1-CE3 4.03Å; F518-W524 AromaticContact CE1-CZ3 3.95Å; F518-W524 HydrophobicContact CE1-CZ3 3.95Å; F518-L528 HydrophobicContact CB-CD1 4.18Å; F518-L528 HydrophobicContact CD2-CD1 4.23Å; F518-L528 HydrophobicContact CD2-CD2 3.99Å; F518-L528 HydrophobicContact CE2-CD2 3.97Å; F518-L528 HydrophobicContact CG-CD1 4.21Å; F518-L528 HydrophobicContact CG-CD2 4.46Å; F518-L528 HydrophobicContact CZ-CD2 4.44Å
519K91.1Very high86.4Confident137 Ų13764.7 Ų64.760%0.59632%0.322SS*.EExtended strand (participates in β ladder)trans-72.5138.4170.7-64.4-177.8179.9-178.90108.7L482 T521 W524L482-K519 HydrophobicContact CD2-CB 4.39Å; L482-K519 HydrophobicContact CD2-CG 3.93Å; K519-T521 HydrophobicContact CB-CG2 3.97Å; K519-T521 PolarHBondContact O-N 3.19Å; K519-W524 WeakPolarHBondContact O-CB 3.42Å; K519-W524 VanDerWaalsContact O-CD1 3.3Å
520N89.9Confident86.7Confident41 Ų4163 Ų6322%0.21930%0.304CS..  trans-74.778.3173.2-173.811.7000109.8P480 K481 W483 N525P480-N520 WeakPolarHBondContact O-CB 3.37Å; P480-N520 PolarHBondContact O-ND2 3.44Å; K481-N520 PolarHBondContact O-N 3.39Å; W483-N520 VanDerWaalsContact NE1-CG 3.25Å; W483-N520 PolarHBondContact NE1-OD1 3.16Å; W483-N520 VanDerWaalsContact NE1-OD1 3.08Å; N520-N525 PolarHBondContact OD1-ND2 3.34Å; N520-N525 PolarHBondContact OD1-OD1 3.05Å
521T88.2Confident87.1Confident50 Ų5062 Ų6231%0.30730%0.297SS..  trans-118.3153.1173.769.40000109.7K519 Y523 W524 N525K519-T521 HydrophobicContact CB-CG2 3.97Å; K519-T521 PolarHBondContact O-N 3.19Å; T521-Y523 PolarHBondContact O-N 2.7Å; T521-Y523 VanDerWaalsContact O-N 3.13Å; T521-W524 PolarHBondContact O-N 3.32Å; T521-W524 PolarHBondContact OG1-N 2.8Å; T521-N525 VanDerWaalsContact O-CG 3.25Å; T521-N525 PolarHBondContact O-N 3.06Å
522P85.6Confident87.5Confident118 Ų11857.2 Ų57.277%0.76628%0.282SS*.Hα-helixtrans-52.5-38.4178.1-28.435.3000113.1N525 G526P522-N525 PolarHBondContact O-N 3.38Å; P522-G526 PolarHBondContact O-N 3.25Å
523Y90.6Very high87.7Confident143 Ų14359.6 Ų59.656%0.56129%0.292SS*.Hα-helixtrans-58.8-53.6175.5175.3-95.1000112.7T521 G526 Q527T521-Y523 PolarHBondContact O-N 2.7Å; T521-Y523 VanDerWaalsContact O-N 3.13Å; Y523-G526 PolarHBondContact O-N 3.34Å; Y523-Q527 HydrophobicContact CE1-CG 4.27Å; Y523-Q527 WeakPolarHBondContact O-CG 3.48Å; Y523-Q527 PolarHBondContact O-N 3.26Å
524W91.3Very high88.3Confident81 Ų8158.4 Ų58.431%0.30729%0.286SS..Hα-helixtrans-67.2-38.7-179.1-73.2120.9000111.8L505 F518 K519 T521 G526 Q527 L528L505-W524 HydrophobicContact CD2-CE3 3.88Å; L505-W524 HydrophobicContact CD2-CZ3 3.46Å; L505-W524 VanDerWaalsContact CD2-CZ3 3.46Å; F518-W524 AromaticContact CD1-CD2 3.95Å; F518-W524 HydrophobicContact CD1-CD2 3.95Å; F518-W524 AromaticContact CD1-CE3 3.62Å; F518-W524 HydrophobicContact CD1-CE3 3.62Å; F518-W524 HydrophobicContact CD1-CH2 4.49Å; F518-W524 AromaticContact CD1-CZ3 3.94Å; F518-W524 HydrophobicContact CD1-CZ3 3.94Å; F518-W524 HydrophobicContact CE1-CE3 4.03Å; F518-W524 AromaticContact CE1-CZ3 3.95Å; F518-W524 HydrophobicContact CE1-CZ3 3.95Å; K519-W524 WeakPolarHBondContact O-CB 3.42Å; K519-W524 VanDerWaalsContact O-CD1 3.3Å; T521-W524 PolarHBondContact O-N 3.32Å; T521-W524 PolarHBondContact OG1-N 2.8Å; W524-G526 VanDerWaalsContact C-N 3.32Å; W524-G526 PolarHBondContact O-N 3.23Å; W524-Q527 PolarHBondContact O-N 2.86Å; W524-Q527 VanDerWaalsContact O-N 3.16Å; W524-L528 WeakPolarHBondContact O-CB 3.27Å; W524-L528 WeakPolarHBondContact O-CG 3.16Å; W524-L528 PolarHBondContact O-N 2.95Å
525N90.2Very high88.7Confident41 Ų4157.7 Ų57.722%0.21928%0.281CS..Hα-helixtrans-59.3-44.1176.5-66.4-10.3000110.9W483 N520 T521 P522 Q527 L528 W529W483-N525 PolarHBondContact NE1-OD1 3.16Å; W483-N525 VanDerWaalsContact NE1-OD1 3.08Å; N520-N525 PolarHBondContact OD1-ND2 3.34Å; N520-N525 PolarHBondContact OD1-OD1 3.05Å; T521-N525 VanDerWaalsContact O-CG 3.25Å; T521-N525 PolarHBondContact O-N 3.06Å; P522-N525 PolarHBondContact O-N 3.38Å; N525-Q527 PolarHBondContact O-N 2.62Å; N525-L528 PolarHBondContact O-N 3.33Å; N525-W529 WeakPolarHBondContact O-CB 3.42Å; N525-W529 PolarHBondContact O-N 3.35Å
526G88.6Confident88.8Confident22 Ų2257.7 Ų57.723%0.22728%0.281CS..Hα-helixtrans-62.8-36.9175.300000113.9P522 Y523 W524 K530P522-G526 PolarHBondContact O-N 3.25Å; Y523-G526 PolarHBondContact O-N 3.34Å; W524-G526 VanDerWaalsContact C-N 3.32Å; W524-G526 PolarHBondContact O-N 3.23Å; G526-K530 WeakPolarHBondContact O-CG 3.27Å; G526-K530 PolarHBondContact O-N 2.72Å
527Q91.5Very high88.7Confident34 Ų3456.7 Ų56.716%0.15928%0.279CS..Hα-helixtrans-70.6-46.2176.1-63.5-57.1-31.900112.2L505 Y523 W524 N525 W529 K530L505-Q527 HydrophobicContact CD1-CB 4.32Å; L505-Q527 HydrophobicContact CD2-CB 4.44Å; Y523-Q527 HydrophobicContact CE1-CG 4.27Å; Y523-Q527 WeakPolarHBondContact O-CG 3.48Å; Y523-Q527 PolarHBondContact O-N 3.26Å; W524-Q527 PolarHBondContact O-N 2.86Å; W524-Q527 VanDerWaalsContact O-N 3.16Å; N525-Q527 PolarHBondContact O-N 2.62Å; Q527-W529 VanDerWaalsContact C-N 3.28Å; Q527-W529 PolarHBondContact O-N 3.36Å; Q527-K530 PolarHBondContact O-N 2.95Å
528L91.5Very high88.4Confident3 Ų355 Ų552%0.01627%0.267CS..Hα-helixtrans-62.4-37.8178.2-70.3168.8000111.2A485 L505 F518 W524 N525 K530 I531 K532 I535 I537A485-L528 HydrophobicContact CB-CD2 3.96Å; L505-L528 HydrophobicContact CD1-CD2 4.33Å; F518-L528 HydrophobicContact CB-CD1 4.18Å; F518-L528 HydrophobicContact CD2-CD1 4.23Å; F518-L528 HydrophobicContact CD2-CD2 3.99Å; F518-L528 HydrophobicContact CE2-CD2 3.97Å; F518-L528 HydrophobicContact CG-CD1 4.21Å; F518-L528 HydrophobicContact CG-CD2 4.46Å; F518-L528 HydrophobicContact CZ-CD2 4.44Å; W524-L528 WeakPolarHBondContact O-CB 3.27Å; W524-L528 WeakPolarHBondContact O-CG 3.16Å; W524-L528 PolarHBondContact O-N 2.95Å; N525-L528 PolarHBondContact O-N 3.33Å; L528-K530 VanDerWaalsContact C-N 3.34Å; L528-K530 PolarHBondContact O-N 3.36Å; L528-I531 CarbonylContact O-C 3.49Å; L528-I531 VanDerWaalsContact O-CG1 3.29Å; L528-I531 WeakPolarHBondContact O-CG1 3.14Å; L528-I531 PolarHBondContact O-N 3.01Å; L528-I531 VanDerWaalsContact O-N 3.11Å; L528-K532 PolarHBondContact O-N 3.26Å; L528-I535 HydrophobicContact CB-CD1 4.05Å; L528-I535 HydrophobicContact CD2-CD1 3.6Å; L528-I535 HydrophobicContact CG-CD1 4.43Å; L528-I537 HydrophobicContact CB-CD1 3.9Å; L528-I537 HydrophobicContact CD1-CD1 4.19Å; L528-I537 HydrophobicContact CG-CD1 4.44Å
529W90.2Very high88.3Confident40 Ų4057 Ų5715%0.15228%0.281CS..Hα-helixtrans-61.5-38.1179-171.4-99.3000113.9Y462 S467 S468 P469 F472 N525 Q527 I531 K532Y462-W529 AromaticContact CD1-CD1 3.76Å; Y462-W529 AromaticContact CD1-NE1 3.47Å; Y462-W529 AromaticContact CE1-NE1 3.99Å; S467-W529 VanDerWaalsContact O-CE2 3.23Å; S467-W529 WeakPolarHBondContact O-CZ2 3.19Å; S467-W529 PolarHBondContact O-NE1 2.94Å; S468-W529 VanDerWaalsContact O-CZ2 3.3Å; S468-W529 WeakPolarHBondContact O-CZ2 3.31Å; P469-W529 HydrophobicContact CB-CD2 4.33Å; P469-W529 HydrophobicContact CB-CE3 4.14Å; P469-W529 HydrophobicContact CG-CB 3.73Å; P469-W529 HydrophobicContact CG-CD2 3.85Å; P469-W529 HydrophobicContact CG-CE3 4.1Å; P469-W529 HydrophobicContact CG-CG 3.72Å; F472-W529 HydrophobicContact CB-CH2 3.94Å; F472-W529 HydrophobicContact CB-CZ3 4.31Å; F472-W529 AromaticContact CD2-CH2 3.86Å; F472-W529 HydrophobicContact CD2-CH2 3.86Å; F472-W529 HydrophobicContact CD2-CZ3 4.37Å; F472-W529 HydrophobicContact CG-CH2 4.12Å; F472-W529 HydrophobicContact CG-CZ3 4.37Å; N525-W529 WeakPolarHBondContact O-CB 3.42Å; N525-W529 PolarHBondContact O-N 3.35Å; Q527-W529 VanDerWaalsContact C-N 3.28Å; Q527-W529 PolarHBondContact O-N 3.36Å; W529-I531 PolarHBondContact O-N 3.38Å; W529-K532 HydrophobicContact CD2-CD 3.88Å; W529-K532 HydrophobicContact CE3-CD 4.05Å; W529-K532 HydrophobicContact CG-CD 4.37Å; W529-K532 HydrophobicContact CH2-CD 4.5Å; W529-K532 HydrophobicContact CZ2-CD 4.36Å; W529-K532 HydrophobicContact CZ3-CD 4.34Å; W529-K532 WeakPolarHBondContact O-CB 3.35Å; W529-K532 WeakPolarHBondContact O-CD 3.39Å; W529-K532 WeakPolarHBondContact O-CG 3.18Å; W529-K532 PolarHBondContact O-N 3.06Å
530K88.4Confident88.2Confident73 Ų7351.1 Ų51.132%0.31726%0.256SS..Hα-helixtrans-64.7-20.7176.9-69.3171.6-175.2176.90113.3Y462 I501 G526 Q527 L528Y462-K530 HydrophobicContact CD2-CG 4.31Å; Y462-K530 HydrophobicContact CE2-CG 4.18Å; I501-K530 HydrophobicContact CD1-CB 4.05Å; I501-K530 HydrophobicContact CD1-CD 3.58Å; I501-K530 HydrophobicContact CD1-CG 4.45Å; G526-K530 WeakPolarHBondContact O-CG 3.27Å; G526-K530 PolarHBondContact O-N 2.72Å; Q527-K530 PolarHBondContact O-N 2.95Å; L528-K530 VanDerWaalsContact C-N 3.34Å; L528-K530 PolarHBondContact O-N 3.36Å
531I89.4Confident88.1Confident0 Ų051.5 Ų51.50%026%0.262CS..THydrogen-bonded Turntrans-11714.9179.163.7157.9000112.3V498 I501 L505 F506 L528 W529 H533 L534 I535V498-I531 HydrophobicContact CG1-CG2 3.97Å; I501-I531 HydrophobicContact CB-CG2 4.23Å; I501-I531 HydrophobicContact CG2-CG2 3.84Å; L505-I531 HydrophobicContact CD1-CD1 3.47Å; L505-I531 VanDerWaalsContact CD1-CD1 3.47Å; L505-I531 HydrophobicContact CD1-CG1 4.14Å; F506-I531 HydrophobicContact CD2-CD1 4.39Å; F506-I531 HydrophobicContact CE2-CD1 3.78Å; L528-I531 CarbonylContact O-C 3.49Å; L528-I531 VanDerWaalsContact O-CG1 3.29Å; L528-I531 WeakPolarHBondContact O-CG1 3.14Å; L528-I531 PolarHBondContact O-N 3.01Å; L528-I531 VanDerWaalsContact O-N 3.11Å; W529-I531 PolarHBondContact O-N 3.38Å; I531-H533 PolarHBondContact O-N 3.09Å; I531-L534 HydrophobicContact CB-CD1 4.27Å; I531-L534 HydrophobicContact CG2-CD1 4.47Å; I531-L534 WeakPolarHBondContact O-CA 3.35Å; I531-L534 WeakPolarHBondContact O-CB 3.5Å; I531-L534 PolarHBondContact O-N 3.28Å; I531-I535 HydrophobicContact CD1-CD1 4.01Å; I531-I535 HydrophobicContact CD1-CG2 3.72Å; I531-I535 HydrophobicContact CG1-CD1 3.9Å; I531-I535 HydrophobicContact CG1-CG1 4.43Å; I531-I535 HydrophobicContact CG1-CG2 4.36Å
532K85.8Confident88.1Confident90 Ų9051.7 Ų51.739%0.39126%0.259SS..THydrogen-bonded Turntrans-54.9-28.1-172.466.2-174.1172.5178.60114.5L528 W529 L534 I535L528-K532 PolarHBondContact O-N 3.26Å; W529-K532 HydrophobicContact CD2-CD 3.88Å; W529-K532 HydrophobicContact CE3-CD 4.05Å; W529-K532 HydrophobicContact CG-CD 4.37Å; W529-K532 HydrophobicContact CH2-CD 4.5Å; W529-K532 HydrophobicContact CZ2-CD 4.36Å; W529-K532 HydrophobicContact CZ3-CD 4.34Å; W529-K532 WeakPolarHBondContact O-CB 3.35Å; W529-K532 WeakPolarHBondContact O-CD 3.39Å; W529-K532 WeakPolarHBondContact O-CG 3.18Å; W529-K532 PolarHBondContact O-N 3.06Å; K532-L534 VanDerWaalsContact C-N 3.26Å; K532-L534 PolarHBondContact O-N 3.04Å; K532-I535 VanDerWaalsContact O-O 3.09Å
533H82.9Confident87.8Confident83 Ų8349.3 Ų49.338%0.38424%0.244SC..THydrogen-bonded Turntrans-78.8-4.2176.460.8-68.8000114.3E494 I531E494-H533 IonicContact OE1-CD2 2.76Å; E494-H533 PolarHBondContact OE1-CD2 3.24Å; E494-H533 IonicContact OE1-NE2 3.52Å; E494-H533 PolarHBondContact OE1-NE2 2.97Å; E494-H533 IonicContact OE2-CD2 2.77Å; E494-H533 IonicContact OE2-CE1 2.87Å; E494-H533 IonicContact OE2-NE2 2.94Å; E494-H533 PolarHBondContact OE2-NE2 3.35Å; I531-H533 PolarHBondContact O-N 3.09Å
534L86.9Confident87.4Confident3 Ų349.9 Ų49.92%0.01625%0.251CS..THydrogen-bonded Turntrans-107.3-14.2176.4-54.1179.7000113L487 Y488 R489 P491 E494 V498 I531 K532L487-L534 HydrophobicContact CD1-CB 4Å; Y488-L534 PolarHBondContact N-O 2.84Å; R489-L534 HydrophobicContact CB-CB 4.44Å; R489-L534 HydrophobicContact CB-CD2 3.84Å; R489-L534 HydrophobicContact CG-CD2 3.96Å; R489-L534 PolarHBondContact N-O 2.82Å; P491-L534 HydrophobicContact CB-CD1 3.92Å; E494-L534 HydrophobicContact CG-CD1 4.1Å; E494-L534 HydrophobicContact CG-CD2 4.11Å; V498-L534 HydrophobicContact CG1-CD1 4.06Å; I531-L534 HydrophobicContact CB-CD1 4.27Å; I531-L534 HydrophobicContact CG2-CD1 4.47Å; I531-L534 WeakPolarHBondContact O-CA 3.35Å; I531-L534 WeakPolarHBondContact O-CB 3.5Å; I531-L534 PolarHBondContact O-N 3.28Å; K532-L534 VanDerWaalsContact C-N 3.26Å; K532-L534 PolarHBondContact O-N 3.04Å
535I86.4Confident86.9Confident19 Ų1948 Ų4810%0.09726%0.257CS..EExtended strand (participates in β ladder)trans-127.3158.1-169.663.8174.6000112.7A485 W486 L487 F506 L528 I531 K532 I537A485-I535 HydrophobicContact CB-CD1 4.41Å; W486-I535 CarbonylContact O-C 3.4Å; W486-I535 WeakPolarHBondContact O-CA 3.38Å; W486-I535 VanDerWaalsContact O-CB 3.25Å; W486-I535 WeakPolarHBondContact O-CB 3.46Å; L487-I535 HydrophobicContact CD1-CG2 3.97Å; F506-I535 HydrophobicContact CE2-CG2 3.75Å; F506-I535 HydrophobicContact CZ-CG2 3.82Å; L528-I535 HydrophobicContact CB-CD1 4.05Å; L528-I535 HydrophobicContact CD2-CD1 3.6Å; L528-I535 HydrophobicContact CG-CD1 4.43Å; I531-I535 HydrophobicContact CD1-CD1 4.01Å; I531-I535 HydrophobicContact CD1-CG2 3.72Å; I531-I535 HydrophobicContact CG1-CD1 3.9Å; I531-I535 HydrophobicContact CG1-CG1 4.43Å; I531-I535 HydrophobicContact CG1-CG2 4.36Å; K532-I535 VanDerWaalsContact O-O 3.09Å; I535-I537 HydrophobicContact CD1-CD1 3.67Å; I535-I537 HydrophobicContact CD1-CG1 3.71Å; I535-I537 HydrophobicContact CG1-CD1 4.39Å; I535-I537 HydrophobicContact CG1-CG1 4.14Å
536E84.2Confident86.7Confident64 Ų6451.6 Ų51.630%0.29927%0.272SS..EExtended strand (participates in β ladder)trans-113.8139.2161.4-158.6173.2-163.100106.4A485 W486 Y488 K596A485-E536 WeakPolarHBondContact CA-O 3.43Å; W486-E536 PolarHBondContact N-O 3.34Å; W486-E536 PolarHBondContact O-N 2.81Å; W486-E536 VanDerWaalsContact O-N 3.14Å; Y488-E536 HydrophobicContact CD2-CB 3.72Å; Y488-E536 HydrophobicContact CE2-CB 3.29Å; Y488-E536 HydrophobicContact CE2-CG 4.25Å; Y488-E536 WeakPolarHBondContact CE2-OE2 3.37Å; Y488-E536 PolarHBondContact OH-OE2 3.03Å; E536-K596 IonicContact OE1-NZ 3.96Å; E536-K596 PolarHBondContact OE1-NZ 2.62Å; E536-K596 IonicContact OE2-NZ 3.57Å; E536-K596 PolarHBondContact OE2-NZ 3.04Å
537I87.2Confident86.5Confident62 Ų6252.7 Ų52.732%0.31828%0.275SS..EExtended strand (participates in β ladder)trans-121.3125.3-178.8-57.7172.7000107.7W483 V484 A485 L528 I535W483-I537 HydrophobicContact CB-CG2 3.89Å; W483-I537 HydrophobicContact CD2-CG2 3.7Å; W483-I537 HydrophobicContact CE3-CG2 3.42Å; W483-I537 VanDerWaalsContact CE3-CG2 3.42Å; W483-I537 HydrophobicContact CG-CG2 3.92Å; W483-I537 HydrophobicContact CZ3-CG2 4.1Å; V484-I537 WeakPolarHBondContact O-CA 3.43Å; A485-I537 HydrophobicContact CB-CG1 4.11Å; L528-I537 HydrophobicContact CB-CD1 3.9Å; L528-I537 HydrophobicContact CD1-CD1 4.19Å; L528-I537 HydrophobicContact CG-CD1 4.44Å; I535-I537 HydrophobicContact CD1-CD1 3.67Å; I535-I537 HydrophobicContact CD1-CG1 3.71Å; I535-I537 HydrophobicContact CG1-CD1 4.39Å; I535-I537 HydrophobicContact CG1-CG1 4.14Å
538N85.5Confident86.2Confident39 Ų3955 Ų5521%0.20929%0.292CS..EExtended strand (participates in β ladder)trans-116.6142.2173-66-34.3000110.2V484 P559V484-N538 HydrophobicContact CG1-CB 3.78Å; V484-N538 WeakPolarHBondContact CG1-O 3.49Å; V484-N538 PolarHBondContact N-O 3.26Å; V484-N538 PolarHBondContact O-N 2.69Å; N538-P559 PolarHBondContact ND2-O 3.31Å; N538-P559 VanDerWaalsContact ND2-O 3.07Å
539P90.1Very high85.6Confident53 Ų5363.1 Ų63.134%0.34433%0.33SS..EExtended strand (participates in β ladder)trans-65.8135.417128.3-33.3000109.9L476 P480 W483L476-P539 HydrophobicContact CD1-CB 4.5Å; P480-P539 HydrophobicContact CB-CB 3.71Å; P480-P539 HydrophobicContact CG-CB 3.84Å; W483-P539 HydrophobicContact CE3-CB 4.29Å; W483-P539 HydrophobicContact CZ3-CB 3.84Å
540I88.6Confident85.1Confident14 Ų1464.6 Ų64.67%0.07235%0.351CS..  trans-79.6125.8171.8-60.9-175.4000109.4L482 V484 V517 F542 L557 G561 C563L482-I540 HydrophobicContact CB-CB 4.11Å; L482-I540 HydrophobicContact CB-CD1 3.86Å; L482-I540 HydrophobicContact CB-CG1 4.22Å; L482-I540 HydrophobicContact CD1-CD1 4.47Å; L482-I540 PolarHBondContact O-N 3.28Å; V484-I540 HydrophobicContact CB-CD1 4.08Å; V484-I540 HydrophobicContact CB-CG1 3.95Å; V484-I540 HydrophobicContact CG1-CG1 4.24Å; V517-I540 HydrophobicContact CB-CD1 4.36Å; V517-I540 HydrophobicContact CG1-CD1 3.62Å; V517-I540 HydrophobicContact CG2-CD1 3.91Å; I540-F542 HydrophobicContact CG2-CE1 4.38Å; I540-F542 HydrophobicContact CG2-CE2 4.17Å; I540-F542 HydrophobicContact CG2-CZ 3.93Å; I540-L557 HydrophobicContact CD1-CD1 4.12Å; I540-L557 HydrophobicContact CD1-CD2 4.01Å; I540-L557 HydrophobicContact CG1-CD1 4.24Å; I540-L557 HydrophobicContact CG2-CD1 4.1Å; I540-G561 WeakPolarHBondContact CA-O 3.48Å; I540-G561 WeakPolarHBondContact CG2-O 3.36Å; I540-C563 HydrophobicContact CG2-CB 4.01Å
541S87.6Confident84.9Confident50 Ų5061.7 Ų61.735%0.3534%0.338SS..BIsolated β-bridgetrans-116.2154.517768.60000111P543 G561 C563S541-P543 WeakPolarHBondContact O-CD 3.5Å; S541-G561 PolarHBondContact N-O 3.42Å; S541-C563 PolarHBondContact O-N 3.36Å
542F88.2Confident84.1Confident53 Ų5367.2 Ų67.223%0.23237%0.367CS..  trans-123.578179.5-60.7-81.8000109.6I540 H544 G545 E546 P547 C563I540-F542 HydrophobicContact CG2-CE1 4.38Å; I540-F542 HydrophobicContact CG2-CE2 4.17Å; I540-F542 HydrophobicContact CG2-CZ 3.93Å; F542-H544 PolarHBondContact O-N 2.88Å; F542-H544 VanDerWaalsContact O-N 3.09Å; F542-G545 PolarHBondContact O-N 3.39Å; F542-G545 VanDerWaalsContact O-N 3.13Å; F542-E546 HydrophobicContact CB-CG 4.42Å; F542-E546 HydrophobicContact CD2-CG 3.92Å; F542-E546 HydrophobicContact CE2-CG 4.32Å; F542-E546 HydrophobicContact CG-CG 4.08Å; F542-P547 VanDerWaalsContact CD1-CD 3.43Å; F542-P547 HydrophobicContact CD1-CG 4.41Å; F542-P547 HydrophobicContact CE1-CG 3.95Å; F542-C563 HydrophobicContact CD1-CB 3.59Å; F542-C563 HydrophobicContact CE1-CB 3.53Å; F542-C563 HydrophobicContact CZ-CB 4.44Å
543P79.1Confident83.6Confident69 Ų6967.7 Ų67.745%0.44838%0.379SS..THydrogen-bonded Turntrans-57.2-27.6-174.9-23.632.7000113.8S541 E562 L564S541-P543 WeakPolarHBondContact O-CD 3.5Å; P543-E562 HydrophobicContact CG-CB 4.36Å; P543-E562 HydrophobicContact CG-CG 4.16Å; P543-L564 HydrophobicContact CG-CD2 4.32Å
544H81.7Confident83.4Confident155 Ų15568.9 Ų68.972%0.71838%0.381SS*.THydrogen-bonded Turntrans-110.416.1-177.5-54.5-52.3000113.8F542F542-H544 PolarHBondContact O-N 2.88Å; F542-H544 VanDerWaalsContact O-N 3.09Å
545G81.2Confident83Confident41 Ų4171.4 Ų71.442%0.42340%0.396SS..  trans95.1161.5-175.600000113.8F542F542-G545 PolarHBondContact O-N 3.39Å; F542-G545 VanDerWaalsContact O-N 3.13Å
546E85.7Confident82.5Confident116 Ų11678.4 Ų78.454%0.54242%0.422SS..PPolyproline II helixtrans-72.3136.5-176.5-67.6-177.8-170.100111.2K481 F542K481-E546 VanDerWaalsContact NZ-CD 3.34Å; K481-E546 IonicContact NZ-OE1 3.2Å; K481-E546 PolarHBondContact NZ-OE1 2.82Å; K481-E546 IonicContact NZ-OE2 3.24Å; K481-E546 PolarHBondContact NZ-OE2 3.06Å; F542-E546 HydrophobicContact CB-CG 4.42Å; F542-E546 HydrophobicContact CD2-CG 3.92Å; F542-E546 HydrophobicContact CE2-CG 4.32Å; F542-E546 HydrophobicContact CG-CG 4.08Å
547P84.3Confident82.2Confident45 Ų4577.3 Ų77.329%0.29242%0.417SS..PPolyproline II helixtrans-67.5137178.626.9-33.3000111.2F542 D551 V555 V565F542-P547 VanDerWaalsContact CD1-CD 3.43Å; F542-P547 HydrophobicContact CD1-CG 4.41Å; F542-P547 HydrophobicContact CE1-CG 3.95Å; P547-D551 HydrophobicContact CB-CB 3.89Å; P547-V555 HydrophobicContact CB-CG2 3.56Å; P547-V555 HydrophobicContact CG-CG2 4.05Å; P547-V565 HydrophobicContact CB-CG2 3.84Å
548T85Confident81.6Confident83 Ų8376.6 Ų76.651%0.50941%0.414SS..PPolyproline II helixtrans-87.3171.1170.664.10000111.1A550 D551T548-A550 PolarHBondContact O-N 3.15Å; T548-D551 WeakPolarHBondContact CB-OD2 3.42Å; T548-D551 PolarHBondContact N-OD2 3.35Å; T548-D551 WeakPolarHBondContact O-CA 3.28Å; T548-D551 WeakPolarHBondContact O-CB 3.3Å; T548-D551 PolarHBondContact O-N 2.88Å; T548-D551 VanDerWaalsContact OG1-CG 3.25Å; T548-D551 PolarHBondContact OG1-OD2 2.95Å
549E79.8Confident80.7Confident174 Ų17478.4 Ų78.481%0.81343%0.428SS*.G310 helixtrans-57.4-32.9177.8-170.1173.3-168.500112.7D551 I552E549-D551 PolarHBondContact O-N 3.08Å; E549-I552 HydrophobicContact CG-CD1 4.09Å; E549-I552 WeakPolarHBondContact O-CD1 3.29Å; E549-I552 VanDerWaalsContact O-CG1 3.31Å; E549-I552 WeakPolarHBondContact O-CG1 3.41Å
550A80.3Confident79.8Confident71 Ų7178.8 Ų78.859%0.58743%0.432SS*.G310 helixtrans-71.2-16.5174.900000113.7T548T548-A550 PolarHBondContact O-N 3.15Å
551D82.6Confident79.4Confident12 Ų1278.1 Ų78.16%0.06443%0.428CS..G310 helixtrans-89.5-15.5-177.3-60-39.5000112.9P547 T548 E549 P553 Y554 V555 V565 K567P547-D551 HydrophobicContact CB-CB 3.89Å; T548-D551 WeakPolarHBondContact CB-OD2 3.42Å; T548-D551 PolarHBondContact N-OD2 3.35Å; T548-D551 WeakPolarHBondContact O-CA 3.28Å; T548-D551 WeakPolarHBondContact O-CB 3.3Å; T548-D551 PolarHBondContact O-N 2.88Å; T548-D551 VanDerWaalsContact OG1-CG 3.25Å; T548-D551 PolarHBondContact OG1-OD2 2.95Å; E549-D551 PolarHBondContact O-N 3.08Å; D551-P553 VanDerWaalsContact C-CD 3.41Å; D551-P553 VanDerWaalsContact C-N 3.34Å; D551-P553 VanDerWaalsContact O-N 3.15Å; D551-Y554 CarbonylContact O-C 3.51Å; D551-Y554 WeakPolarHBondContact O-CA 3.24Å; D551-Y554 WeakPolarHBondContact O-CB 3.35Å; D551-Y554 PolarHBondContact O-N 2.71Å; D551-V555 HydrophobicContact CB-CG2 4.46Å; D551-V555 WeakPolarHBondContact O-CG2 3.45Å; D551-V555 PolarHBondContact O-N 3.34Å; D551-V555 VanDerWaalsContact O-N 3.13Å; D551-V565 HydrophobicContact CB-CG1 3.77Å; D551-V565 HydrophobicContact CB-CG2 4.09Å; D551-K567 WeakPolarHBondContact OD1-CE 3.36Å; D551-K567 IonicContact OD1-NZ 2.68Å; D551-K567 PolarHBondContact OD1-NZ 3.43Å
552I74.2Confident79.1Confident116 Ų11679.4 Ų79.460%0.59543%0.429SS*.G310 helixtrans-43-48.9-177.2-65.8172.3000113.7E549 Y554 V555E549-I552 HydrophobicContact CG-CD1 4.09Å; E549-I552 WeakPolarHBondContact O-CD1 3.29Å; E549-I552 VanDerWaalsContact O-CG1 3.31Å; E549-I552 WeakPolarHBondContact O-CG1 3.41Å; I552-Y554 PolarHBondContact O-N 3.1Å; I552-V555 PolarHBondContact O-N 3.31Å
553P74.5Confident78.8Confident100 Ų10077.4 Ų77.465%0.64942%0.421SS*.G310 helixtrans-70.1-14.2-179.427-34.2000114.2D551D551-P553 VanDerWaalsContact C-CD 3.41Å; D551-P553 VanDerWaalsContact C-N 3.34Å; D551-P553 VanDerWaalsContact O-N 3.15Å
554Y78Confident78.8Confident107 Ų10776.4 Ų76.442%0.4241%0.412SS..G310 helixtrans-107.5-0.8-177.6-50.8-68.2000113.2D551 I552 V565 S566 K567D551-Y554 CarbonylContact O-C 3.51Å; D551-Y554 WeakPolarHBondContact O-CA 3.24Å; D551-Y554 WeakPolarHBondContact O-CB 3.35Å; D551-Y554 PolarHBondContact O-N 2.71Å; I552-Y554 PolarHBondContact O-N 3.1Å; Y554-V565 WeakPolarHBondContact O-CA 3.35Å; Y554-S566 PolarHBondContact O-N 2.97Å; Y554-K567 HydrophobicContact CD2-CG 4.12Å; Y554-K567 HydrophobicContact CG-CG 4.21Å
555V78.3Confident78.6Confident56 Ų5671 Ų7134%0.33939%0.39SS..EExtended strand (participates in β ladder)trans-74.3128.4179.4168.90000110.2P547 D551 I552 C563 L564 V565P547-V555 HydrophobicContact CB-CG2 3.56Å; P547-V555 HydrophobicContact CG-CG2 4.05Å; D551-V555 HydrophobicContact CB-CG2 4.46Å; D551-V555 WeakPolarHBondContact O-CG2 3.45Å; D551-V555 PolarHBondContact O-N 3.34Å; D551-V555 VanDerWaalsContact O-N 3.13Å; I552-V555 PolarHBondContact O-N 3.31Å; V555-C563 VanDerWaalsContact CG1-SG 3.52Å; V555-L564 CarbonylContact C-O 3.57Å; V555-L564 WeakPolarHBondContact CA-O 3.36Å; V555-V565 HydrophobicContact CG2-CG2 4.11Å
556R76.6Confident78.1Confident167 Ų16772.1 Ų72.163%0.6339%0.391SS*.EExtended strand (participates in β ladder)trans-127.1116172.4-167.5175.5-165.41625.3109.8L558 L564R556-L558 HydrophobicContact CG-CD2 4.45Å; R556-L564 PolarHBondContact N-O 3.45Å; R556-L564 PolarHBondContact O-N 2.96Å
557L78Confident77.2Confident40 Ų4073 Ų7321%0.20939%0.393CS..EExtended strand (participates in β ladder)trans-88.9120.7171.4-17561.9000109.6V484 M515 V517 I540 C563V484-L557 HydrophobicContact CB-CD2 4.28Å; V484-L557 HydrophobicContact CG2-CD2 3.94Å; M515-L557 HydrophobicContact CE-CB 4.29Å; M515-L557 HydrophobicContact CE-CD2 3.84Å; M515-L557 HydrophobicContact CE-CG 4.21Å; M515-L557 HydrophobicContact SD-CD2 4.12Å; M515-L557 HydrophobicContact SD-CG 4.38Å; V517-L557 HydrophobicContact CG2-CD2 3.59Å; I540-L557 HydrophobicContact CD1-CD1 4.12Å; I540-L557 HydrophobicContact CD1-CD2 4.01Å; I540-L557 HydrophobicContact CG1-CD1 4.24Å; I540-L557 HydrophobicContact CG2-CD1 4.1Å; L557-C563 HydrophobicContact CD1-CB 4.07Å
558L75.2Confident75.6Confident47 Ų4781.9 Ų81.925%0.24642%0.421CS..  trans-84.3156.4176.1-62.5-174.9000111.3R556 S560 G561 E562 L564R556-L558 HydrophobicContact CG-CD2 4.45Å; L558-S560 WeakPolarHBondContact CB-OG 3.11Å; L558-S560 PolarHBondContact O-N 2.86Å; L558-S560 VanDerWaalsContact O-N 3.13Å; L558-G561 PolarHBondContact O-N 3.28Å; L558-E562 HydrophobicContact CB-CB 4.4Å; L558-E562 WeakPolarHBondContact CB-O 3.3Å; L558-E562 HydrophobicContact CD1-CB 4.22Å; L558-E562 PolarHBondContact N-O 2.99Å; L558-L564 HydrophobicContact CD1-CD1 3.66Å; L558-L564 HydrophobicContact CD1-CG 4.27Å; L558-L564 HydrophobicContact CG-CD1 4.17Å; L558-L564 HydrophobicContact CG-CG 4.49Å
559P65.9Low73.5Confident78 Ų7883.1 Ų83.151%0.50643%0.428SS..THydrogen-bonded Turntrans-58-24.9173.7-25.134.6000114.8W486 N538 G561W486-P559 HydrophobicContact CH2-CB 4.36Å; W486-P559 HydrophobicContact CH2-CG 4.29Å; W486-P559 HydrophobicContact CZ2-CB 3.61Å; W486-P559 HydrophobicContact CZ2-CG 3.91Å; N538-P559 PolarHBondContact ND2-O 3.31Å; N538-P559 VanDerWaalsContact ND2-O 3.07Å; P559-G561 PolarHBondContact O-N 2.89Å
560S72Confident71.5Confident60 Ų6083.5 Ų83.542%0.4243%0.43SS..THydrogen-bonded Turntrans-65.5-15.9173.251.30000113.5L558 E562L558-S560 WeakPolarHBondContact CB-OG 3.11Å; L558-S560 PolarHBondContact O-N 2.86Å; L558-S560 VanDerWaalsContact O-N 3.13Å; S560-E562 PolarHBondContact OG-N 3.13Å; S560-E562 PolarHBondContact OG-OE2 2.87Å
561G79.1Confident69.5Low0 Ų087.5 Ų87.50%044%0.441CS..SBendtrans93.4-6.6-169.500000113.5I540 S541 L558 P559 C563I540-G561 WeakPolarHBondContact CA-O 3.48Å; I540-G561 WeakPolarHBondContact CG2-O 3.36Å; S541-G561 PolarHBondContact N-O 3.42Å; L558-G561 PolarHBondContact O-N 3.28Å; P559-G561 PolarHBondContact O-N 2.89Å; G561-C563 PolarHBondContact O-N 3.41Å
562E80.7Confident67.3Low78 Ų7895.4 Ų95.436%0.36448%0.478SS..BIsolated β-bridgetrans-71.4123.9176.5-66.9166.9125.800110.8P543 L558 S560 L564P543-E562 HydrophobicContact CG-CB 4.36Å; P543-E562 HydrophobicContact CG-CG 4.16Å; L558-E562 HydrophobicContact CB-CB 4.4Å; L558-E562 WeakPolarHBondContact CB-O 3.3Å; L558-E562 HydrophobicContact CD1-CB 4.22Å; L558-E562 PolarHBondContact N-O 2.99Å; S560-E562 PolarHBondContact OG-N 3.13Å; S560-E562 PolarHBondContact OG-OE2 2.87Å; E562-L564 HydrophobicContact CB-CD2 4.49Å
563C83Confident65.2Low10 Ų1094.9 Ų94.97%0.06848%0.484CS..EExtended strand (participates in β ladder)trans-99.7112.4174.9-171.40000109.3I540 S541 F542 V555 L557 G561I540-C563 HydrophobicContact CG2-CB 4.01Å; S541-C563 PolarHBondContact O-N 3.36Å; F542-C563 HydrophobicContact CD1-CB 3.59Å; F542-C563 HydrophobicContact CE1-CB 3.53Å; F542-C563 HydrophobicContact CZ-CB 4.44Å; V555-C563 VanDerWaalsContact CG1-SG 3.52Å; L557-C563 HydrophobicContact CD1-CB 4.07Å; G561-C563 PolarHBondContact O-N 3.41Å
564L79.6Confident63.3Low48 Ų4895.8 Ų95.825%0.25149%0.49SS..EExtended strand (participates in β ladder)trans-108.6141.5-176.2-55.4-178.5000110.6P543 V555 R556 L558 E562P543-L564 HydrophobicContact CG-CD2 4.32Å; V555-L564 CarbonylContact C-O 3.57Å; V555-L564 WeakPolarHBondContact CA-O 3.36Å; R556-L564 PolarHBondContact N-O 3.45Å; R556-L564 PolarHBondContact O-N 2.96Å; L558-L564 HydrophobicContact CD1-CD1 3.66Å; L558-L564 HydrophobicContact CD1-CG 4.27Å; L558-L564 HydrophobicContact CG-CD1 4.17Å; L558-L564 HydrophobicContact CG-CG 4.49Å; E562-L564 HydrophobicContact CB-CD2 4.49Å
565V77.2Confident61.4Low43 Ų4398.5 Ų98.526%0.26151%0.51SS..EExtended strand (participates in β ladder)trans-108.3107171.81800000108.4P547 D551 Y554 V555 K567P547-V565 HydrophobicContact CB-CG2 3.84Å; D551-V565 HydrophobicContact CB-CG1 3.77Å; D551-V565 HydrophobicContact CB-CG2 4.09Å; Y554-V565 WeakPolarHBondContact O-CA 3.35Å; V555-V565 HydrophobicContact CG2-CG2 4.11Å; V565-K567 HydrophobicContact CG1-CG 4.14Å
566S71Confident59.2Low64 Ų64100.9 Ų100.945%0.44853%0.525SS..  trans-105.889.5-179.554.90000111.3Y554 R568Y554-S566 PolarHBondContact O-N 2.97Å; S566-R568 PolarHBondContact O-N 3.34Å
567K66.8Low57.1Low133 Ų133100.9 Ų100.958%0.57853%0.532SS*.  trans-74.8-5.6176.8-65.6-174.8179.6-179.50114.6D551 Y554 V565D551-K567 WeakPolarHBondContact OD1-CE 3.36Å; D551-K567 IonicContact OD1-NZ 2.68Å; D551-K567 PolarHBondContact OD1-NZ 3.43Å; Y554-K567 HydrophobicContact CD2-CG 4.12Å; Y554-K567 HydrophobicContact CG-CG 4.21Å; V565-K567 HydrophobicContact CG1-CG 4.14Å
568R49.4Very low55Low232 Ų232102.8 Ų102.888%0.87555%0.545SS*.  trans-112.991.5-180-77.8-176.2177176.9-0.4110.2S566S566-R568 PolarHBondContact O-N 3.34Å
569V42.1Very low53.5Low110 Ų110107 Ų10767%0.66757%0.568SS**  trans-160.998.7138.3-179.40000106.6Q572V569-Q572 HydrophobicContact CG1-CG 4.45Å
570E37.4Very low52.2Low181 Ų181109.8 Ų109.885%0.84658%0.579SS**  trans-65.1139.3154.6-74.3169.2156.700107.8
571N38.6Very low50.6Low156 Ų156112.3 Ų112.383%0.83459%0.587SS**  trans70.270.9173.5-54.7-32.6000117.1
572Q35Very low48.7Very low177 Ų177114.3 Ų114.383%0.82761%0.608SS**  trans-132.8123.7138.4-71.7-168.8-4.400109.5V569V569-Q572 HydrophobicContact CG1-CG 4.45Å
573S31.3Very low47Very low105 Ų105117.4 Ų117.473%0.73462%0.62SS**  trans-44.8146.8177.4-46.30000111.7I575S573-I575 PolarHBondContact O-N 3.32Å
574P34.6Very low45.1Very low119 Ų119120.6 Ų120.677%0.77364%0.642SS**  trans-49.1131.8176.720.3-31.4000109V576P574-V576 VanDerWaalsContact C-N 3.31Å; P574-V576 PolarHBondContact O-N 2.97Å
575I37.2Very low43.6Very low164 Ų164122.7 Ų122.784%0.84165%0.653SS**  trans-48.3101.4177.7-64.6163.8000106.5S573 E577S573-I575 PolarHBondContact O-N 3.32Å; I575-E577 PolarHBondContact O-N 3.47Å
576V31.5Very low42Very low106 Ų106124.5 Ų124.564%0.64266%0.659SS**  trans-59.6116.7169.1175.60000103.9P574 T578P574-V576 VanDerWaalsContact C-N 3.31Å; P574-V576 PolarHBondContact O-N 2.97Å; V576-T578 HydrophobicContact CB-CG2 4.34Å; V576-T578 HydrophobicContact CG1-CG2 3.95Å; V576-T578 PolarHBondContact O-N 3Å
577E33.3Very low41.2Very low168 Ų168129.1 Ų129.179%0.78567%0.671SS**  trans-56.686.2165.4-73-175.915400106.8I575 D579I575-E577 PolarHBondContact O-N 3.47Å; E577-D579 VanDerWaalsContact C-N 3.27Å; E577-D579 PolarHBondContact O-N 3.4Å
578T34.7Very low40.5Very low79 Ų79127 Ų12749%0.48567%0.665SS.*  trans-80.986.6174.740.50000106V576 D580 L581V576-T578 HydrophobicContact CB-CG2 4.34Å; V576-T578 HydrophobicContact CG1-CG2 3.95Å; V576-T578 PolarHBondContact O-N 3Å; T578-D580 PolarHBondContact O-N 3Å; T578-L581 PolarHBondContact O-N 2.87Å
579D42.2Very low40.5Very low136 Ų136118.5 Ų118.573%0.72764%0.637SS**THydrogen-bonded Turntrans-50.9-23.1177.6-77.6-28.6000113.2E577E577-D579 VanDerWaalsContact C-N 3.27Å; E577-D579 PolarHBondContact O-N 3.4Å
580D39.7Very low40.9Very low136 Ų136116 Ų11673%0.72762%0.62SS**THydrogen-bonded Turntrans-92.9-18.5-179.4-75.4-33.8000115.4T578T578-D580 PolarHBondContact O-N 3Å
581L37.5Very low41.8Very low114 Ų114116.5 Ų116.560%0.59761%0.614SS**Hα-helixtrans-79.3-27.1175.2-139.787.8000111.7T578 K583 S584 L585T578-L581 PolarHBondContact O-N 2.87Å; L581-K583 VanDerWaalsContact C-N 3.33Å; L581-K583 PolarHBondContact O-N 3.17Å; L581-S584 PolarHBondContact O-N 2.67Å; L581-S584 VanDerWaalsContact O-N 3.13Å; L581-L585 WeakPolarHBondContact O-CB 3.26Å; L581-L585 PolarHBondContact O-N 3.49Å
582G40.9Very low42.2Very low42 Ų42117.8 Ų117.843%0.43361%0.607SS.*Hα-helixtrans-57-40.7-179.200000113.3E586G582-E586 WeakPolarHBondContact O-CB 3.49Å; G582-E586 PolarHBondContact O-N 3.31Å
583K43.3Very low42.8Very low143 Ų143111 Ų11162%0.62258%0.576SS**Hα-helixtrans-71.3-34.5177.2-71.4173.1-174.7157.50113L581 K587L581-K583 VanDerWaalsContact C-N 3.33Å; L581-K583 PolarHBondContact O-N 3.17Å; K583-K587 WeakPolarHBondContact O-CB 3.35Å; K583-K587 PolarHBondContact O-N 3.29Å
584S44.8Very low43.8Very low77 Ų77112.3 Ų112.354%0.53857%0.569SS.*Hα-helixtrans-71.9-43177.6-171.30000110.9L581 K587 L588L581-S584 PolarHBondContact O-N 2.67Å; L581-S584 VanDerWaalsContact O-N 3.13Å; S584-K587 PolarHBondContact O-N 3.3Å; S584-L588 WeakPolarHBondContact O-CB 3.38Å; S584-L588 PolarHBondContact O-N 3.15Å
585L46.2Very low44.5Very low91 Ų91109.2 Ų109.248%0.47655%0.548SS..Hα-helixtrans-65.3-44173.7-172.265.3000111.1L581 K587 L588 I589L581-L585 WeakPolarHBondContact O-CB 3.26Å; L581-L585 PolarHBondContact O-N 3.49Å; L585-K587 VanDerWaalsContact C-N 3.33Å; L585-K587 PolarHBondContact O-N 3.3Å; L585-L588 PolarHBondContact O-N 3.17Å; L585-I589 HydrophobicContact CD1-CD1 3.97Å; L585-I589 HydrophobicContact CD1-CG1 4.23Å; L585-I589 HydrophobicContact CD2-CD1 4.37Å; L585-I589 HydrophobicContact CG-CD1 3.7Å; L585-I589 HydrophobicContact CG-CG1 4.33Å; L585-I589 WeakPolarHBondContact O-CB 3.47Å; L585-I589 WeakPolarHBondContact O-CG1 3.35Å; L585-I589 PolarHBondContact O-N 3.15Å
586E44.9Very low44.9Very low82 Ų82105.3 Ų105.338%0.38353%0.525SS..Hα-helixtrans-60-41.3174-170.7-175.2-178.900111.1G582 N590G582-E586 WeakPolarHBondContact O-CB 3.49Å; G582-E586 PolarHBondContact O-N 3.31Å; E586-N590 WeakPolarHBondContact O-CB 3.38Å; E586-N590 PolarHBondContact O-N 3.36Å; E586-N590 PolarHBondContact O-ND2 3.39Å
587K54.5Low45.5Very low161 Ų161107.2 Ų107.270%0.752%0.521SS*.Hα-helixtrans-64.1-45.5172.7-93.5-176.9-179.8173.50112.7K583 S584 L585 N590 R591K583-K587 WeakPolarHBondContact O-CB 3.35Å; K583-K587 PolarHBondContact O-N 3.29Å; S584-K587 PolarHBondContact O-N 3.3Å; L585-K587 VanDerWaalsContact C-N 3.33Å; L585-K587 PolarHBondContact O-N 3.3Å; K587-N590 PolarHBondContact O-N 2.82Å; K587-R591 WeakPolarHBondContact O-CB 3.48Å; K587-R591 PolarHBondContact O-N 3.38Å
588L52Low46.2Very low88 Ų88103 Ų10346%0.46150%0.504SS..Hα-helixtrans-64.4-42.7-178.9-176.667.7000111S584 L585 R591 R592S584-L588 WeakPolarHBondContact O-CB 3.38Å; S584-L588 PolarHBondContact O-N 3.15Å; L585-L588 PolarHBondContact O-N 3.17Å; L588-R591 WeakPolarHBondContact O-CB 3.3Å; L588-R591 PolarHBondContact O-N 3.3Å; L588-R592 PolarHBondContact O-N 2.8Å
589I48.9Very low46.6Very low53 Ų53101.6 Ų101.627%0.27249%0.491SS..Hα-helixtrans-73.6-41.6178-55.7164.9000110.5L513 L585 R591 R592 L593L513-I589 HydrophobicContact CD1-CB 3.53Å; L513-I589 HydrophobicContact CD1-CD1 3.94Å; L513-I589 HydrophobicContact CD1-CG1 4.35Å; L513-I589 HydrophobicContact CD1-CG2 3.21Å; L513-I589 HydrophobicContact CD2-CG2 3.74Å; L513-I589 HydrophobicContact CG-CG2 4.06Å; L585-I589 HydrophobicContact CD1-CD1 3.97Å; L585-I589 HydrophobicContact CD1-CG1 4.23Å; L585-I589 HydrophobicContact CD2-CD1 4.37Å; L585-I589 HydrophobicContact CG-CD1 3.7Å; L585-I589 HydrophobicContact CG-CG1 4.33Å; L585-I589 WeakPolarHBondContact O-CB 3.47Å; L585-I589 WeakPolarHBondContact O-CG1 3.35Å; L585-I589 PolarHBondContact O-N 3.15Å; I589-R591 PolarHBondContact O-N 2.77Å; I589-R592 CarbonylContact O-C 3.59Å; I589-R592 PolarHBondContact O-N 3.16Å; I589-R592 VanDerWaalsContact O-N 3.11Å; I589-L593 HydrophobicContact CG2-CD1 4.07Å; I589-L593 HydrophobicContact CG2-CG 4.1Å; I589-L593 WeakPolarHBondContact O-CB 3.4Å; I589-L593 WeakPolarHBondContact O-CG 3.24Å; I589-L593 PolarHBondContact O-N 3.16Å
590N49.9Very low46.6Very low59 Ų5999.4 Ų99.432%0.31648%0.475SS..Hα-helixtrans-58.5-36171.5-81.2-39.8000111.7E586 K587 K594E586-N590 WeakPolarHBondContact O-CB 3.38Å; E586-N590 PolarHBondContact O-N 3.36Å; E586-N590 PolarHBondContact O-ND2 3.39Å; K587-N590 PolarHBondContact O-N 2.82Å; N590-K594 WeakPolarHBondContact O-CB 3.48Å; N590-K594 PolarHBondContact O-N 3.34Å
591R55.9Low46.7Very low190 Ų19094.7 Ų94.772%0.71745%0.45SS*.Hα-helixtrans-62.4-53.6170.7-94.9-177174168.3-3110.8K587 L588 I589 L593 K594 T595K587-R591 WeakPolarHBondContact O-CB 3.48Å; K587-R591 PolarHBondContact O-N 3.38Å; L588-R591 WeakPolarHBondContact O-CB 3.3Å; L588-R591 PolarHBondContact O-N 3.3Å; I589-R591 PolarHBondContact O-N 2.77Å; R591-L593 VanDerWaalsContact C-N 3.31Å; R591-L593 PolarHBondContact O-N 2.91Å; R591-K594 CarbonylContact O-C 3.6Å; R591-K594 PolarHBondContact O-N 3.1Å; R591-T595 PolarHBondContact O-N 3.45Å; R591-T595 PolarHBondContact O-OG1 3.04Å
592R47.8Very low47Very low184 Ų18496 Ų9669%0.69445%0.453SS*.Hα-helixtrans-59.5-38.5178.8-77.9-175.2173.7174.2-0.3113.3L588 I589 T595 K596L588-R592 PolarHBondContact O-N 2.8Å; I589-R592 CarbonylContact O-C 3.59Å; I589-R592 PolarHBondContact O-N 3.16Å; I589-R592 VanDerWaalsContact O-N 3.11Å; R592-T595 WeakPolarHBondContact O-CB 3.48Å; R592-T595 PolarHBondContact O-N 3.42Å; R592-K596 WeakPolarHBondContact O-CB 3.32Å; R592-K596 PolarHBondContact O-N 3.17Å
593L47.2Very low47.1Very low33 Ų33100 Ų10017%0.17346%0.464CS..Hα-helixtrans-71.4-41.2175.7-72.7174.5000112.3Y488 L513 I589 R591 T595 K596 W597Y488-L593 HydrophobicContact CD1-CD1 3.59Å; Y488-L593 HydrophobicContact CD1-CD2 3.39Å; Y488-L593 HydrophobicContact CD1-CG 4.11Å; Y488-L593 HydrophobicContact CE1-CD1 4.02Å; Y488-L593 HydrophobicContact CE1-CD2 3.37Å; Y488-L593 HydrophobicContact CE1-CG 4.26Å; Y488-L593 HydrophobicContact CG-CD2 4.5Å; L513-L593 HydrophobicContact CD1-CD1 4.26Å; L513-L593 HydrophobicContact CD2-CD1 3.6Å; L513-L593 HydrophobicContact CG-CD1 4.08Å; I589-L593 HydrophobicContact CG2-CD1 4.07Å; I589-L593 HydrophobicContact CG2-CG 4.1Å; I589-L593 WeakPolarHBondContact O-CB 3.4Å; I589-L593 WeakPolarHBondContact O-CG 3.24Å; I589-L593 PolarHBondContact O-N 3.16Å; R591-L593 VanDerWaalsContact C-N 3.31Å; R591-L593 PolarHBondContact O-N 2.91Å; L593-T595 PolarHBondContact O-N 3.1Å; L593-K596 PolarHBondContact O-N 3.39Å; L593-W597 WeakPolarHBondContact O-CB 3.39Å; L593-W597 PolarHBondContact O-N 2.7Å
594K52.8Low46.8Very low133 Ų13396.7 Ų96.758%0.57845%0.452SS*.Hα-helixtrans-60.2-37.9170.5-173.1173.2-178.8-178.20109.8N590 R591 N598N590-K594 WeakPolarHBondContact O-CB 3.48Å; N590-K594 PolarHBondContact O-N 3.34Å; R591-K594 CarbonylContact O-C 3.6Å; R591-K594 PolarHBondContact O-N 3.1Å; K594-N598 WeakPolarHBondContact O-CA 3.4Å; K594-N598 WeakPolarHBondContact O-CB 3.34Å; K594-N598 PolarHBondContact O-N 3.25Å; K594-N598 PolarHBondContact O-ND2 2.88Å; K594-N598 PolarHBondContact O-OD1 3.5Å; K594-N598 VanDerWaalsContact O-OD1 3.12Å
595T48.9Very low46.7Very low55 Ų55100.4 Ų100.434%0.33746%0.461SS..Hα-helixtrans-66.4-49.7173.3-47.90000111.7R591 R592 L593 W597 N598 Q599R591-T595 PolarHBondContact O-N 3.45Å; R591-T595 PolarHBondContact O-OG1 3.04Å; R592-T595 WeakPolarHBondContact O-CB 3.48Å; R592-T595 PolarHBondContact O-N 3.42Å; L593-T595 PolarHBondContact O-N 3.1Å; T595-W597 VanDerWaalsContact C-N 3.27Å; T595-W597 PolarHBondContact O-N 2.62Å; T595-N598 PolarHBondContact O-N 3.27Å; T595-Q599 WeakPolarHBondContact O-CB 3.3Å; T595-Q599 PolarHBondContact O-N 3.22Å
596K45.6Very low46.6Very low81 Ų8197.7 Ų97.735%0.35245%0.447SS..Hα-helixtrans-57.6-40175.8-171.1-179.5175.6-171.40111E536 R592 L593 F600E536-K596 IonicContact OE1-NZ 3.96Å; E536-K596 PolarHBondContact OE1-NZ 2.62Å; E536-K596 IonicContact OE2-NZ 3.57Å; E536-K596 PolarHBondContact OE2-NZ 3.04Å; R592-K596 WeakPolarHBondContact O-CB 3.32Å; R592-K596 PolarHBondContact O-N 3.17Å; L593-K596 PolarHBondContact O-N 3.39Å; K596-F600 HydrophobicContact CG-CD2 4.42Å; K596-F600 HydrophobicContact CG-CE2 3.91Å; K596-F600 WeakPolarHBondContact O-CD2 3.42Å; K596-F600 PolarHBondContact O-N 3.42Å
597W44Very low46.6Very low147 Ų14796.7 Ų96.756%0.55745%0.449SS*.Hα-helixtrans-75.1-44.6178.9-166.858.1000112.2L593 T595 Q599 F600 D601 L604L593-W597 WeakPolarHBondContact O-CB 3.39Å; L593-W597 PolarHBondContact O-N 2.7Å; T595-W597 VanDerWaalsContact C-N 3.27Å; T595-W597 PolarHBondContact O-N 2.62Å; W597-Q599 PolarHBondContact O-N 2.74Å; W597-F600 CarbonylContact O-C 3.56Å; W597-F600 PolarHBondContact O-N 3.2Å; W597-D601 PolarHBondContact O-N 2.7Å; W597-L604 HydrophobicContact CZ2-CD1 4.18Å
598N48.5Very low46.8Very low80 Ų8093.1 Ų93.143%0.42844%0.442SS..Hα-helixtrans-60.9-25.6172.6-73.32.8000111.8K594 T595 D601K594-N598 WeakPolarHBondContact O-CA 3.4Å; K594-N598 WeakPolarHBondContact O-CB 3.34Å; K594-N598 PolarHBondContact O-N 3.25Å; K594-N598 PolarHBondContact O-ND2 2.88Å; K594-N598 PolarHBondContact O-OD1 3.5Å; K594-N598 VanDerWaalsContact O-OD1 3.12Å; T595-N598 PolarHBondContact O-N 3.27Å; N598-D601 WeakPolarHBondContact O-CB 3.48Å; N598-D601 PolarHBondContact O-N 3.16Å
599Q44.2Very low46.6Very low49 Ų4998.3 Ų98.323%0.22946%0.456CS..Hα-helixtrans-80.6-22.3176.9-173.2165.735.300113.3N13 I15 T595 W597N13-Q599 PolarHBondContact O-NE2 2.93Å; N13-Q599 VanDerWaalsContact O-NE2 3.13Å; I15-Q599 HydrophobicContact CD1-CG 3.66Å; I15-Q599 HydrophobicContact CG1-CG 4.4Å; T595-Q599 WeakPolarHBondContact O-CB 3.3Å; T595-Q599 PolarHBondContact O-N 3.22Å; W597-Q599 PolarHBondContact O-N 2.74Å
600F40.6Very low46.6Very low90 Ų9097.8 Ų97.840%0.39546%0.457SS..SBendtrans-96.63.9167.2-63.8-62000112.5I15 K596 W597 E602 I603 L604I15-F600 HydrophobicContact CD1-CZ 4.29Å; K596-F600 HydrophobicContact CG-CD2 4.42Å; K596-F600 HydrophobicContact CG-CE2 3.91Å; K596-F600 WeakPolarHBondContact O-CD2 3.42Å; K596-F600 PolarHBondContact O-N 3.42Å; W597-F600 CarbonylContact O-C 3.56Å; W597-F600 PolarHBondContact O-N 3.2Å; F600-E602 PolarHBondContact O-N 3.32Å; F600-I603 HydrophobicContact CD1-CD1 3.66Å; F600-I603 HydrophobicContact CE1-CD1 4.39Å; F600-I603 WeakPolarHBondContact O-CA 3.4Å; F600-I603 WeakPolarHBondContact O-CB 3.28Å; F600-I603 PolarHBondContact O-N 3.45Å; F600-L604 PolarHBondContact O-N 3.1Å
601D43.1Very low46.7Very low37 Ų3798.1 Ų98.120%0.19846%0.462CS..THydrogen-bonded Turntrans-66.4-23.8-177.4-13837.7000111.4W597 N598 I603 R616W597-D601 PolarHBondContact O-N 2.7Å; N598-D601 WeakPolarHBondContact O-CB 3.48Å; N598-D601 PolarHBondContact O-N 3.16Å; D601-I603 VanDerWaalsContact C-N 3.31Å; D601-R616 PolarHBondContact O-NH1 2.56Å; D601-R616 IonicContact OD1-NH1 3.52Å; D601-R616 PolarHBondContact OD1-NH1 3.46Å; D601-R616 WeakPolarHBondContact OD2-CD 3.27Å; D601-R616 IonicContact OD2-CZ 3.69Å; D601-R616 IonicContact OD2-NE 2.77Å; D601-R616 IonicContact OD2-NH1 2.7Å; D601-R616 PolarHBondContact OD2-NH1 2.89Å
602E43.2Very low47.2Very low142 Ų14294.6 Ų94.666%0.66446%0.464SS*.THydrogen-bonded Turntrans-68-25.6168.9-63.9-177.5-171.700113.2F600F600-E602 PolarHBondContact O-N 3.32Å
603I42.6Very low47.8Very low126 Ų12690.8 Ų90.865%0.64647%0.471SS*.THydrogen-bonded Turntrans-87.2-25179.1-48.7-174.8000111.2F600 D601 E605F600-I603 HydrophobicContact CD1-CD1 3.66Å; F600-I603 HydrophobicContact CE1-CD1 4.39Å; F600-I603 WeakPolarHBondContact O-CA 3.4Å; F600-I603 WeakPolarHBondContact O-CB 3.28Å; F600-I603 PolarHBondContact O-N 3.45Å; D601-I603 VanDerWaalsContact C-N 3.31Å; I603-E605 PolarHBondContact O-N 3.31Å
604L36.9Very low47.9Very low73 Ų7398.7 Ų98.738%0.38250%0.499SS..SBendtrans-78.1106.8176.3-65174.6000108.7W597 F600 D606 R616W597-L604 HydrophobicContact CZ2-CD1 4.18Å; F600-L604 PolarHBondContact O-N 3.1Å; L604-D606 PolarHBondContact O-N 2.79Å; L604-R616 PolarHBondContact O-NH2 3.14Å
605E42.3Very low48Very low155 Ų15594.6 Ų94.672%0.72449%0.487SS*.  trans-45.7133.6169.8-72.7-179.8176.300109.7I603 S607I603-E605 PolarHBondContact O-N 3.31Å; E605-S607 PolarHBondContact O-N 3.1Å
606D46.1Very low48.2Very low34 Ų3496.5 Ų96.518%0.18249%0.488CS..  trans-50.1129.1172.7-88.2-22.4000109.5L604 P608 S615 R616L604-D606 PolarHBondContact O-N 2.79Å; D606-P608 WeakPolarHBondContact O-CD 3.06Å; D606-S615 WeakPolarHBondContact OD2-CA 3.44Å; D606-S615 PolarHBondContact OD2-OG 3.45Å; D606-R616 IonicContact OD1-CZ 2.8Å; D606-R616 IonicContact OD1-NE 2.77Å; D606-R616 PolarHBondContact OD1-NE 3.1Å; D606-R616 IonicContact OD1-NH2 3.8Å; D606-R616 PolarHBondContact OD1-NH2 3.3Å; D606-R616 PolarHBondContact OD2-N 3.04Å
607S44.9Very low48.4Very low60 Ų60102.3 Ų102.342%0.4251%0.514SS..  trans-57.1132.2167101.60000106E605 W609 S610E605-S607 PolarHBondContact O-N 3.1Å; S607-W609 PolarHBondContact O-N 3.41Å; S607-W609 PolarHBondContact OG-N 2.85Å; S607-S610 WeakPolarHBondContact O-CB 3.47Å; S607-S610 PolarHBondContact O-N 3.45Å; S607-S610 PolarHBondContact O-OG 3.14Å
608P58Low48.6Very low86 Ų86100.1 Ų100.156%0.55851%0.512SS*.THydrogen-bonded Turntrans-641.2-176.421.8-32.3000114W158 D606W158-P608 HydrophobicContact CD2-CG 4.27Å; W158-P608 HydrophobicContact CE3-CB 3.96Å; W158-P608 HydrophobicContact CE3-CG 3.9Å; W158-P608 HydrophobicContact CH2-CB 3.71Å; W158-P608 HydrophobicContact CH2-CG 3.51Å; W158-P608 HydrophobicContact CZ2-CG 3.88Å; W158-P608 HydrophobicContact CZ3-CB 3.37Å; W158-P608 HydrophobicContact CZ3-CG 3.53Å; D606-P608 WeakPolarHBondContact O-CD 3.06Å
609W47.9Very low48.6Very low198 Ų198101.1 Ų101.175%0.7552%0.516SS*.THydrogen-bonded Turntrans-101.6-4.5175-51.7101.5000113.8W158 S607 P611W158-W609 HydrophobicContact CH2-CD2 4.2Å; W158-W609 AromaticContact CH2-CE2 3.49Å; W158-W609 VanDerWaalsContact CH2-CE2 3.49Å; W158-W609 AromaticContact CH2-CH2 3.95Å; W158-W609 HydrophobicContact CH2-CH2 3.95Å; W158-W609 AromaticContact CH2-CZ2 3.4Å; W158-W609 HydrophobicContact CH2-CZ2 3.4Å; W158-W609 AromaticContact CH2-NE1 3.75Å; W158-W609 AromaticContact CZ2-CE2 3.56Å; W158-W609 HydrophobicContact CZ2-CH2 4.22Å; W158-W609 AromaticContact CZ2-CZ2 3.33Å; W158-W609 HydrophobicContact CZ2-CZ2 3.33Å; W158-W609 AromaticContact CZ2-NE1 3.57Å; S607-W609 PolarHBondContact O-N 3.41Å; S607-W609 PolarHBondContact OG-N 2.85Å; W609-P611 WeakPolarHBondContact O-CD 3.44Å
610S49.1Very low48.9Very low42 Ų42104 Ų10429%0.29453%0.532SS..SBendtrans-61.8122.7172.5-66.40000108.3S607S607-S610 WeakPolarHBondContact O-CB 3.47Å; S607-S610 PolarHBondContact O-N 3.45Å; S607-S610 PolarHBondContact O-OG 3.14Å
611P52.2Low49.3Very low66 Ų66104.8 Ų104.843%0.42954%0.54SS..  trans-54.9144.8174.2-22.331000110.2W609 A613 R614 S615W609-P611 WeakPolarHBondContact O-CD 3.44Å; P611-A613 PolarHBondContact O-N 2.89Å; P611-A613 VanDerWaalsContact O-N 3.11Å; P611-R614 CarbonylContact O-C 3.58Å; P611-R614 VanDerWaalsContact O-C 3.22Å; P611-R614 VanDerWaalsContact O-CA 3.31Å; P611-R614 WeakPolarHBondContact O-CA 3.41Å; P611-R614 PolarHBondContact O-N 2.84Å; P611-S615 PolarHBondContact O-N 2.78Å
612P64.8Low49.7Very low115 Ų115109.1 Ų109.175%0.74756%0.561SS**G310 helixtrans-54.5-33.2179.1-28.334.8000114.4R614 S615P612-R614 PolarHBondContact O-N 3.35Å; P612-S615 WeakPolarHBondContact O-CB 3.48Å; P612-S615 PolarHBondContact O-N 2.79Å; P612-S615 VanDerWaalsContact O-N 3.11Å
613A60.8Low50.2Low104 Ų104106.9 Ų106.986%0.8656%0.555SS**G310 helixtrans-73.1-8.8174.900000114.3P611P611-A613 PolarHBondContact O-N 2.89Å; P611-A613 VanDerWaalsContact O-N 3.11Å
614R50.2Low50.7Low199 Ų199105.5 Ų105.575%0.75155%0.548SS*.G310 helixtrans-119.610.6170.2-62.7-174.8179.3-174.8-1.6111.1P611 P612P611-R614 CarbonylContact O-C 3.58Å; P611-R614 VanDerWaalsContact O-C 3.22Å; P611-R614 VanDerWaalsContact O-CA 3.31Å; P611-R614 WeakPolarHBondContact O-CA 3.41Å; P611-R614 PolarHBondContact O-N 2.84Å; P612-R614 PolarHBondContact O-N 3.35Å
615S54.1Low51.8Low47 Ų47108 Ų10833%0.32956%0.561SS.*  trans-63.3134.1167.9-179.50000106.3D606 P611 P612 F617D606-S615 WeakPolarHBondContact OD2-CA 3.44Å; D606-S615 PolarHBondContact OD2-OG 3.45Å; P611-S615 PolarHBondContact O-N 2.78Å; P612-S615 WeakPolarHBondContact O-CB 3.48Å; P612-S615 PolarHBondContact O-N 2.79Å; P612-S615 VanDerWaalsContact O-N 3.11Å; S615-F617 WeakPolarHBondContact CB-O 3.26Å; S615-F617 PolarHBondContact O-N 2.74Å; S615-F617 PolarHBondContact OG-N 2.93Å; S615-F617 PolarHBondContact OG-O 3.43Å
616R53.7Low52.6Low96 Ų96104.1 Ų104.136%0.36255%0.547SS..  trans-82.9-1178.8-72.6172.4-70.1164.221.5111.8D601 L604 D606D601-R616 PolarHBondContact O-NH1 2.56Å; D601-R616 IonicContact OD1-NH1 3.52Å; D601-R616 PolarHBondContact OD1-NH1 3.46Å; D601-R616 WeakPolarHBondContact OD2-CD 3.27Å; D601-R616 IonicContact OD2-CZ 3.69Å; D601-R616 IonicContact OD2-NE 2.77Å; D601-R616 IonicContact OD2-NH1 2.7Å; D601-R616 PolarHBondContact OD2-NH1 2.89Å; L604-R616 PolarHBondContact O-NH2 3.14Å; D606-R616 IonicContact OD1-CZ 2.8Å; D606-R616 IonicContact OD1-NE 2.77Å; D606-R616 PolarHBondContact OD1-NE 3.1Å; D606-R616 IonicContact OD1-NH2 3.8Å; D606-R616 PolarHBondContact OD1-NH2 3.3Å; D606-R616 PolarHBondContact OD2-N 3.04Å
617F49.1Very low53.2Low202 Ų202110.5 Ų110.589%0.88658%0.58SS**  trans-123.20172.6-57.3-79.7000111.6S615S615-F617 WeakPolarHBondContact CB-O 3.26Å; S615-F617 PolarHBondContact O-N 2.74Å; S615-F617 PolarHBondContact OG-N 2.93Å; S615-F617 PolarHBondContact OG-O 3.43Å

Retrieved 617 of 617 residues in 113.5 ms (Link to these results)

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