A0A3B3VFX5_9TELE Loading...

Vesicle-associated membrane protein 7

AlphaFold DB , UniProt , Accession A0A3B3VFX5, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 220 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
1M62.5Low91.1Very high102 Ų10219.3 Ų19.350%0.50211%0.109SC..  0137.90-68.9-164.8-177.400107.4W20 K115M1-W20 HydrophobicContact CE-CD2 4.1Å; M1-W20 HydrophobicContact CE-CE3 4.01Å; M1-W20 HydrophobicContact CE-CH2 3.33Å; M1-W20 HydrophobicContact CE-CZ2 3.41Å; M1-W20 VanDerWaalsContact CE-CZ2 3.41Å; M1-W20 HydrophobicContact CE-CZ3 3.65Å; M1-W20 HydrophobicContact SD-CD2 3.38Å; M1-W20 HydrophobicContact SD-CE3 3.63Å; M1-W20 HydrophobicContact SD-CG 3.91Å; M1-W20 HydrophobicContact SD-CH2 4Å; M1-W20 HydrophobicContact SD-CZ2 3.76Å; M1-W20 HydrophobicContact SD-CZ3 3.93Å; M1-K115 HydrophobicContact CE-CG 4.34Å
2A81.9Confident91.2Very high18 Ų1824.9 Ų24.915%0.14914%0.144CC..  trans-98.4-25.5-167.700000114.1T66 D67 F70A2-T66 VanDerWaalsContact O-CA 3.31Å; A2-T66 WeakPolarHBondContact O-CA 3.26Å; A2-T66 WeakPolarHBondContact O-CB 3.38Å; A2-D67 PolarHBondContact O-N 3.28Å; A2-F70 HydrophobicContact CB-CB 4.18Å; A2-F70 HydrophobicContact CB-CD2 3.17Å; A2-F70 HydrophobicContact CB-CE2 3.66Å; A2-F70 HydrophobicContact CB-CG 3.87Å
3I92.6Very high91.3Very high1 Ų125.9 Ų25.91%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-91.3116.2170-50.4173.4000108.3C64 T66 F70 F78 M114 H117 S118I3-C64 HydrophobicContact CG2-CB 4.09Å; I3-T66 HydrophobicContact CB-CG2 4.43Å; I3-T66 HydrophobicContact CG1-CG2 4.09Å; I3-T66 HydrophobicContact CG2-CG2 4.35Å; I3-F70 HydrophobicContact CD1-CE1 4.1Å; I3-F70 HydrophobicContact CD1-CZ 3.96Å; I3-F70 HydrophobicContact CG1-CD1 4.48Å; I3-F70 HydrophobicContact CG1-CE1 3.78Å; I3-F70 HydrophobicContact CG1-CE2 4.46Å; I3-F70 HydrophobicContact CG1-CZ 3.76Å; I3-F78 HydrophobicContact CD1-CB 4.02Å; I3-F78 HydrophobicContact CD1-CD1 4.17Å; I3-F78 HydrophobicContact CD1-CD2 4.09Å; I3-F78 HydrophobicContact CD1-CG 3.81Å; I3-M114 HydrophobicContact CB-CE 4.48Å; I3-M114 HydrophobicContact CB-CG 4.43Å; I3-M114 HydrophobicContact CG2-CE 4.07Å; I3-M114 HydrophobicContact CG2-CG 3.98Å; I3-M114 VanDerWaalsContact O-CE 3.25Å; I3-M114 WeakPolarHBondContact O-CE 3.45Å; I3-H117 HydrophobicContact CD1-CB 3.89Å; I3-S118 PolarHBondContact N-OG 3.3Å
4L92.9Very high91.5Very high5 Ų524.4 Ų24.43%0.02614%0.142CC..EExtended strand (participates in β ladder)trans-94-40.1-168.7-54.3173.7000111.6W20 F25 Y50 I65 I158L4-W20 PolarHBondContact O-N 3.3Å; L4-F25 HydrophobicContact CB-CE1 4.09Å; L4-F25 HydrophobicContact CB-CZ 4.09Å; L4-Y50 HydrophobicContact CD1-CD1 3.82Å; L4-Y50 HydrophobicContact CD1-CE1 3.61Å; L4-I65 PolarHBondContact N-O 2.92Å; L4-I158 HydrophobicContact CD1-CD1 3.36Å; L4-I158 HydrophobicContact CG-CD1 4.46Å
5F95.2Very high91.7Very high2 Ų222.8 Ų22.81%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-145.8146.1-177.6178.8-103.8000111V7 K17 H18 A19 F25 L26 T29 C64 I65F5-V7 HydrophobicContact CE1-CB 3.74Å; F5-V7 HydrophobicContact CE1-CG1 3.93Å; F5-V7 HydrophobicContact CZ-CB 3.98Å; F5-K17 HydrophobicContact CE2-CB 3.99Å; F5-K17 HydrophobicContact CE2-CD 4.21Å; F5-K17 HydrophobicContact CE2-CG 4.45Å; F5-K17 HydrophobicContact CZ-CB 3.9Å; F5-K17 HydrophobicContact CZ-CD 4.26Å; F5-H18 WeakPolarHBondContact CA-O 3.15Å; F5-H18 WeakPolarHBondContact CD2-O 3.3Å; F5-A19 HydrophobicContact CD2-CB 3.74Å; F5-A19 HydrophobicContact CE2-CB 4.39Å; F5-F25 HydrophobicContact CB-CB 4.26Å; F5-F25 HydrophobicContact CB-CD1 3.63Å; F5-F25 HydrophobicContact CB-CD2 4.4Å; F5-F25 HydrophobicContact CB-CE1 3.99Å; F5-F25 HydrophobicContact CB-CG 3.85Å; F5-F25 HydrophobicContact CD1-CB 4.13Å; F5-F25 HydrophobicContact CD2-CB 3.77Å; F5-F25 HydrophobicContact CD2-CD2 4.36Å; F5-F25 HydrophobicContact CD2-CG 4.03Å; F5-F25 HydrophobicContact CE1-CB 4.42Å; F5-F25 HydrophobicContact CE2-CB 4.08Å; F5-F25 HydrophobicContact CG-CB 3.79Å; F5-F25 HydrophobicContact CG-CD1 4.11Å; F5-F25 AromaticContact CG-CG 3.93Å; F5-F25 HydrophobicContact CG-CG 3.93Å; F5-F25 HydrophobicContact CZ-CB 4.39Å; F5-L26 HydrophobicContact CZ-CD2 4.5Å; F5-T29 HydrophobicContact CE1-CG2 4.17Å; F5-T29 WeakPolarHBondContact CE1-OG1 3.3Å; F5-C64 CarbonylContact O-C 3.56Å; F5-C64 VanDerWaalsContact O-CA 3.22Å; F5-C64 WeakPolarHBondContact O-CA 3.33Å; F5-C64 WeakPolarHBondContact O-CB 3.49Å; F5-I65 HydrophobicContact CB-CB 4.14Å; F5-I65 HydrophobicContact CB-CD1 4.1Å; F5-I65 HydrophobicContact CB-CG1 4.22Å; F5-I65 HydrophobicContact CD1-CD1 3.71Å; F5-I65 HydrophobicContact CD1-CG1 4.08Å; F5-I65 HydrophobicContact CG-CD1 4.28Å; F5-I65 PolarHBondContact N-O 3.44Å; F5-I65 PolarHBondContact O-N 3.29Å
6A96.9Very high91.9Very high1 Ų121.4 Ų21.41%0.00812%0.124CC..EExtended strand (participates in β ladder)trans-141.614717200000111.6K17 H18 L63 C64 F78 L110 M114A6-K17 CarbonylContact O-C 3.56Å; A6-K17 VanDerWaalsContact O-CA 3.26Å; A6-K17 WeakPolarHBondContact O-CA 3.42Å; A6-H18 PolarHBondContact N-O 2.94Å; A6-H18 PolarHBondContact O-N 3.15Å; A6-L63 CarbonylContact C-O 3.48Å; A6-L63 WeakPolarHBondContact CA-O 3.44Å; A6-C64 HydrophobicContact CB-CB 4.36Å; A6-F78 HydrophobicContact CB-CE1 3.8Å; A6-F78 HydrophobicContact CB-CZ 3.62Å; A6-L110 HydrophobicContact CB-CD2 4.22Å; A6-M114 HydrophobicContact CB-CG 4.2Å; A6-M114 HydrophobicContact CB-SD 3.68Å
7V97.1Very high92.1Very high2 Ų223.1 Ų23.11%0.01213%0.13CC..EExtended strand (participates in β ladder)trans-146.5146.6-17766.30000111.4F5 I14 A16 K17 T29 L63F5-V7 HydrophobicContact CE1-CB 3.74Å; F5-V7 HydrophobicContact CE1-CG1 3.93Å; F5-V7 HydrophobicContact CZ-CB 3.98Å; V7-I14 HydrophobicContact CG2-CB 4.3Å; V7-I14 HydrophobicContact CG2-CD1 4.31Å; V7-I14 HydrophobicContact CG2-CG1 3.96Å; V7-I14 HydrophobicContact CG2-CG2 3.59Å; V7-A16 CarbonylContact C-O 3.55Å; V7-A16 WeakPolarHBondContact CA-O 3.41Å; V7-A16 WeakPolarHBondContact CG2-O 3.49Å; V7-K17 HydrophobicContact CB-CB 4.27Å; V7-K17 HydrophobicContact CG2-CB 4.06Å; V7-T29 HydrophobicContact CG1-CG2 3.85Å; V7-L63 HydrophobicContact CG1-CB 3.7Å; V7-L63 HydrophobicContact CG1-CD2 3.81Å; V7-L63 HydrophobicContact CG1-CG 4.3Å; V7-L63 PolarHBondContact N-O 3.36Å; V7-L63 PolarHBondContact O-N 3.3Å
8V97.8Very high92.2Very high0 Ų023.1 Ų23.10%013%0.128CC..EExtended strand (participates in β ladder)trans-115.2126.6165-172.70000107.8L15 A16 I60 I61 Y62 V82 F86 F106V8-L15 WeakPolarHBondContact O-CA 3.5Å; V8-L15 WeakPolarHBondContact O-CB 3.32Å; V8-L15 PolarHBondContact O-N 2.83Å; V8-A16 PolarHBondContact N-O 3.24Å; V8-A16 PolarHBondContact O-N 3.33Å; V8-I60 HydrophobicContact CG1-CG2 3.6Å; V8-I61 CarbonylContact C-O 3.54Å; V8-I61 WeakPolarHBondContact CA-O 3.48Å; V8-Y62 HydrophobicContact CB-CD1 4.45Å; V8-Y62 HydrophobicContact CG1-CD1 3.96Å; V8-Y62 HydrophobicContact CG1-CE1 3.7Å; V8-Y62 HydrophobicContact CG2-CD1 3.85Å; V8-Y62 HydrophobicContact CG2-CE1 4.12Å; V8-V82 HydrophobicContact CG2-CG1 4.06Å; V8-F86 HydrophobicContact CB-CD2 4.38Å; V8-F86 HydrophobicContact CB-CE2 4.19Å; V8-F86 HydrophobicContact CB-CZ 4.48Å; V8-F86 HydrophobicContact CG1-CD1 3.99Å; V8-F86 HydrophobicContact CG1-CD2 3.99Å; V8-F86 HydrophobicContact CG1-CE1 3.76Å; V8-F86 HydrophobicContact CG1-CE2 3.79Å; V8-F86 HydrophobicContact CG1-CG 4.09Å; V8-F86 HydrophobicContact CG1-CZ 3.66Å; V8-F86 HydrophobicContact CG2-CD2 4.17Å; V8-F86 HydrophobicContact CG2-CE2 4.45Å; V8-F106 HydrophobicContact CG2-CD1 4.23Å; V8-F106 HydrophobicContact CG2-CE1 3.87Å
9A97.3Very high92.2Very high0 Ų023.7 Ų23.70%014%0.137CC..EExtended strand (participates in β ladder)trans-138.1162.9-175.500000112.1T13 L33 I60 I61A9-T13 CarbonylContact C-O 3.56Å; A9-T13 VanDerWaalsContact CA-O 3.23Å; A9-T13 WeakPolarHBondContact CA-O 3.3Å; A9-T13 WeakPolarHBondContact CB-O 3.24Å; A9-L33 HydrophobicContact CB-CD1 3.68Å; A9-L33 HydrophobicContact CB-CD2 3.81Å; A9-L33 HydrophobicContact CB-CG 4.42Å; A9-I60 CarbonylContact O-C 3.58Å; A9-I60 WeakPolarHBondContact O-CA 3.33Å; A9-I61 HydrophobicContact CB-CB 4.49Å; A9-I61 PolarHBondContact N-O 3.11Å; A9-I61 PolarHBondContact O-N 3.15Å
10R95.3Very high91.8Very high54 Ų5426.3 Ų26.320%0.20414%0.144CC..EExtended strand (participates in β ladder)trans-124.5108.7168.9-177.2-173.169.9-125.10.5108.1T12 T13 L15 I60 A94 Q95 A97R10-T12 PolarHBondContact O-N 3.28Å; R10-T13 PolarHBondContact N-O 3.05Å; R10-T13 WeakPolarHBondContact O-CB 3.3Å; R10-T13 PolarHBondContact O-N 2.89Å; R10-L15 HydrophobicContact CB-CD1 4.4Å; R10-I60 HydrophobicContact CB-CD1 3.94Å; R10-I60 HydrophobicContact CG-CD1 4.06Å; R10-A94 PolarHBondContact NH1-O 2.71Å; R10-Q95 VanDerWaalsContact CD-O 3.3Å; R10-Q95 WeakPolarHBondContact CD-O 3.38Å; R10-Q95 VanDerWaalsContact CZ-O 3.24Å; R10-Q95 PolarHBondContact NE-O 3.48Å; R10-Q95 VanDerWaalsContact NH1-C 3.25Å; R10-Q95 PolarHBondContact NH1-O 3.39Å; R10-Q95 VanDerWaalsContact NH1-O 3.12Å; R10-A97 VanDerWaalsContact NH1-N 3.1Å; R10-A97 PolarHBondContact NH1-O 3.2Å; R10-A97 PolarHBondContact NH2-O 2.86Å
11G92.9Very high91.4Very high27 Ų2725.5 Ų25.528%0.27814%0.14SC..THydrogen-bonded Turntrans54-125.8-164.200000110
12T92.4Very high92.4Very high87 Ų8721.6 Ų21.653%0.53413%0.126SC..THydrogen-bonded Turntrans-84.3-5.3175.655.50000114.2R10 I14 A34R10-T12 PolarHBondContact O-N 3.28Å; T12-I14 PolarHBondContact O-N 3.08Å; T12-A34 HydrophobicContact CG2-CB 4.18Å
13T92.5Very high92.7Very high38 Ų3822.9 Ų22.923%0.23314%0.141CC..EExtended strand (participates in β ladder)trans-85.7109.6-178-60.20000111.1A9 R10 L15 P99A9-T13 CarbonylContact C-O 3.56Å; A9-T13 VanDerWaalsContact CA-O 3.23Å; A9-T13 WeakPolarHBondContact CA-O 3.3Å; A9-T13 WeakPolarHBondContact CB-O 3.24Å; R10-T13 PolarHBondContact N-O 3.05Å; R10-T13 WeakPolarHBondContact O-CB 3.3Å; R10-T13 PolarHBondContact O-N 2.89Å; T13-L15 HydrophobicContact CG2-CD2 4.34Å; T13-P99 HydrophobicContact CG2-CB 4.08Å; T13-P99 HydrophobicContact CG2-CG 3.79Å
14I93.4Very high92.5Very high5 Ų524.3 Ų24.33%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-71.4128.9174.9-63.4173.3000110.1V7 T12 K17 L26 L33 P99 Y100V7-I14 HydrophobicContact CG2-CB 4.3Å; V7-I14 HydrophobicContact CG2-CD1 4.31Å; V7-I14 HydrophobicContact CG2-CG1 3.96Å; V7-I14 HydrophobicContact CG2-CG2 3.59Å; T12-I14 PolarHBondContact O-N 3.08Å; I14-K17 HydrophobicContact CG2-CB 4.3Å; I14-L26 HydrophobicContact CD1-CD2 3.76Å; I14-L33 HydrophobicContact CG1-CD1 4.03Å; I14-P99 CarbonylContact O-C 3.54Å; I14-P99 WeakPolarHBondContact O-CA 3.39Å; I14-Y100 HydrophobicContact CB-CE1 3.95Å; I14-Y100 HydrophobicContact CG2-CD1 3.97Å; I14-Y100 HydrophobicContact CG2-CE1 3.56Å; I14-Y100 PolarHBondContact O-N 3.3Å
15L94.6Very high92.4Very high0 Ų024.3 Ų24.30%015%0.149CC..EExtended strand (participates in β ladder)trans-99-39.2178-59.3-178.8000112.2V8 R10 T13 I60 F86 A94 A97 Y100 M102 N103V8-L15 WeakPolarHBondContact O-CA 3.5Å; V8-L15 WeakPolarHBondContact O-CB 3.32Å; V8-L15 PolarHBondContact O-N 2.83Å; R10-L15 HydrophobicContact CB-CD1 4.4Å; T13-L15 HydrophobicContact CG2-CD2 4.34Å; L15-I60 HydrophobicContact CD1-CD1 4.31Å; L15-F86 HydrophobicContact CB-CZ 4.31Å; L15-F86 HydrophobicContact CD1-CE1 4.27Å; L15-F86 HydrophobicContact CD1-CZ 3.82Å; L15-A94 HydrophobicContact CD1-CB 4.15Å; L15-A97 HydrophobicContact CD2-CB 3.86Å; L15-Y100 CarbonylContact O-C 3.31Å; L15-Y100 VanDerWaalsContact O-C 3.31Å; L15-Y100 VanDerWaalsContact O-CA 3.29Å; L15-Y100 WeakPolarHBondContact O-CA 3.23Å; L15-M102 HydrophobicContact CB-SD 4.12Å; L15-M102 HydrophobicContact CD2-SD 4.3Å; L15-M102 PolarHBondContact O-N 3.14Å; L15-N103 PolarHBondContact O-N 3.18Å
16A94.8Very high92.1Very high0 Ų027.1 Ų27.10%016%0.164CC..EExtended strand (participates in β ladder)trans-154.4148.1175.700000110.2V7 V8 M102 N103 F106 L110V7-A16 CarbonylContact C-O 3.55Å; V7-A16 WeakPolarHBondContact CA-O 3.41Å; V7-A16 WeakPolarHBondContact CG2-O 3.49Å; V8-A16 PolarHBondContact N-O 3.24Å; V8-A16 PolarHBondContact O-N 3.33Å; A16-M102 HydrophobicContact CB-CB 4.37Å; A16-N103 WeakPolarHBondContact CA-OD1 3.3Å; A16-F106 HydrophobicContact CB-CB 4Å; A16-F106 HydrophobicContact CB-CD1 4.07Å; A16-L110 HydrophobicContact CB-CD1 4.32Å
17K95.3Very high91.7Very high51 Ų5131.2 Ų31.222%0.22218%0.183CC..EExtended strand (participates in β ladder)trans-148.3158.1176.168.9-179-178.673.50112F5 A6 V7 I14 L26 Y100 N103 S107F5-K17 HydrophobicContact CE2-CB 3.99Å; F5-K17 HydrophobicContact CE2-CD 4.21Å; F5-K17 HydrophobicContact CE2-CG 4.45Å; F5-K17 HydrophobicContact CZ-CB 3.9Å; F5-K17 HydrophobicContact CZ-CD 4.26Å; A6-K17 CarbonylContact O-C 3.56Å; A6-K17 VanDerWaalsContact O-CA 3.26Å; A6-K17 WeakPolarHBondContact O-CA 3.42Å; V7-K17 HydrophobicContact CB-CB 4.27Å; V7-K17 HydrophobicContact CG2-CB 4.06Å; I14-K17 HydrophobicContact CG2-CB 4.3Å; K17-L26 HydrophobicContact CD-CD2 3.47Å; K17-L26 VanDerWaalsContact CD-CD2 3.47Å; K17-L26 HydrophobicContact CD-CG 4.35Å; K17-Y100 HydrophobicContact CD-CE1 4.13Å; K17-N103 PolarHBondContact N-OD1 3.48Å; K17-N103 PolarHBondContact O-OD1 2.85Å; K17-S107 WeakPolarHBondContact O-CB 3.33Å
18H94Very high91.4Very high22 Ų2231.1 Ų31.110%0.10218%0.182CC..EExtended strand (participates in β ladder)trans-147.8142.7168.1-173.269.9000110.4F5 A6 L110 A111 M114F5-H18 WeakPolarHBondContact CA-O 3.15Å; F5-H18 WeakPolarHBondContact CD2-O 3.3Å; A6-H18 PolarHBondContact N-O 2.94Å; A6-H18 PolarHBondContact O-N 3.15Å; H18-L110 HydrophobicContact CB-CB 3.76Å; H18-L110 HydrophobicContact CB-CD1 4.3Å; H18-A111 VanDerWaalsContact CD2-CA 3.47Å; H18-A111 WeakPolarHBondContact CD2-CA 3.33Å; H18-A111 VanDerWaalsContact NE2-CB 3.27Å; H18-A111 WeakPolarHBondContact NE2-CB 3.25Å; H18-M114 HydrophobicContact CB-SD 4.29Å
19A91.8Very high91.1Very high35 Ų3531.1 Ų31.129%0.28918%0.182SC..EExtended strand (participates in β ladder)trans-129135.2176.200000107.8F5 F25F5-A19 HydrophobicContact CD2-CB 3.74Å; F5-A19 HydrophobicContact CE2-CB 4.39Å; A19-F25 HydrophobicContact CB-CD2 4.26Å; A19-F25 HydrophobicContact CB-CE2 4.47Å
20W84.3Confident90.8Very high76 Ų7635.9 Ų35.929%0.28820%0.204SC..SBendtrans-78.6-33.2173.8175.4-101.5000112M1 L4 M114 E162M1-W20 HydrophobicContact CE-CD2 4.1Å; M1-W20 HydrophobicContact CE-CE3 4.01Å; M1-W20 HydrophobicContact CE-CH2 3.33Å; M1-W20 HydrophobicContact CE-CZ2 3.41Å; M1-W20 VanDerWaalsContact CE-CZ2 3.41Å; M1-W20 HydrophobicContact CE-CZ3 3.65Å; M1-W20 HydrophobicContact SD-CD2 3.38Å; M1-W20 HydrophobicContact SD-CE3 3.63Å; M1-W20 HydrophobicContact SD-CG 3.91Å; M1-W20 HydrophobicContact SD-CH2 4Å; M1-W20 HydrophobicContact SD-CZ2 3.76Å; M1-W20 HydrophobicContact SD-CZ3 3.93Å; L4-W20 PolarHBondContact O-N 3.3Å; W20-M114 HydrophobicContact CB-CE 4.44Å; W20-E162 HydrophobicContact CZ2-CG 4.31Å
21C83.4Confident90.6Very high9 Ų935.1 Ų35.16%0.06120%0.203CC..SBendtrans-127.2168.4-173.453.90000112F25 I158 D159C21-F25 WeakPolarHBondContact O-CE2 3.46Å; C21-I158 HydrophobicContact CB-CG2 4.4Å; C21-I158 WeakPolarHBondContact SG-CG2 3.35Å; C21-D159 WeakPolarHBondContact CB-O 3.36Å
22G84Confident90.6Very high20 Ų2033.9 Ų33.921%0.20619%0.19CC..EExtended strand (participates in β ladder)trans-72.7147173.500000111D159G22-D159 PolarHBondContact N-O 2.88Å; G22-D159 PolarHBondContact O-N 3.04Å
23G87.4Confident90.7Very high45 Ų4529.9 Ų29.946%0.46417%0.165SC..EExtended strand (participates in β ladder)trans168169.5175.800000113.4F25 L157G23-F25 PolarHBondContact O-N 2.6Å; G23-F25 VanDerWaalsContact O-N 3.08Å; G23-L157 CarbonylContact C-O 3.53Å; G23-L157 WeakPolarHBondContact CA-O 3.27Å
24N89.4Confident90.8Very high31 Ų3131.5 Ų31.517%0.16618%0.182CC..SBendtrans-81.533.4177.367.8-22.3000113L26 E27 V28 E155 L157N24-L26 VanDerWaalsContact C-N 3.26Å; N24-L26 PolarHBondContact O-N 3.34Å; N24-E27 PolarHBondContact O-N 3.31Å; N24-V28 PolarHBondContact O-N 2.62Å; N24-E155 PolarHBondContact ND2-O 3.13Å; N24-L157 PolarHBondContact N-O 3.43Å; N24-L157 VanDerWaalsContact N-O 3.12Å; N24-L157 PolarHBondContact OD1-N 3.35Å; N24-L157 PolarHBondContact OD1-O 2.89Å
25F90.5Very high90.7Very high5 Ų535.9 Ų35.92%0.02220%0.201CC..Hα-helixtrans-55.4-37.9-175.9-62.5-68.7000113.8L4 F5 A19 C21 G23 T29 I65 L156 I158L4-F25 HydrophobicContact CB-CE1 4.09Å; L4-F25 HydrophobicContact CB-CZ 4.09Å; F5-F25 HydrophobicContact CB-CB 4.26Å; F5-F25 HydrophobicContact CB-CD1 3.63Å; F5-F25 HydrophobicContact CB-CD2 4.4Å; F5-F25 HydrophobicContact CB-CE1 3.99Å; F5-F25 HydrophobicContact CB-CG 3.85Å; F5-F25 HydrophobicContact CD1-CB 4.13Å; F5-F25 HydrophobicContact CD2-CB 3.77Å; F5-F25 HydrophobicContact CD2-CD2 4.36Å; F5-F25 HydrophobicContact CD2-CG 4.03Å; F5-F25 HydrophobicContact CE1-CB 4.42Å; F5-F25 HydrophobicContact CE2-CB 4.08Å; F5-F25 HydrophobicContact CG-CB 3.79Å; F5-F25 HydrophobicContact CG-CD1 4.11Å; F5-F25 AromaticContact CG-CG 3.93Å; F5-F25 HydrophobicContact CG-CG 3.93Å; F5-F25 HydrophobicContact CZ-CB 4.39Å; A19-F25 HydrophobicContact CB-CD2 4.26Å; A19-F25 HydrophobicContact CB-CE2 4.47Å; C21-F25 WeakPolarHBondContact O-CE2 3.46Å; G23-F25 PolarHBondContact O-N 2.6Å; G23-F25 VanDerWaalsContact O-N 3.08Å; F25-T29 WeakPolarHBondContact O-CB 3.44Å; F25-T29 PolarHBondContact O-N 2.8Å; F25-T29 PolarHBondContact O-OG1 3.27Å; F25-I65 HydrophobicContact CD1-CD1 3.8Å; F25-L156 HydrophobicContact CD1-CD1 3.74Å; F25-L156 HydrophobicContact CE1-CD1 4.06Å; F25-L156 HydrophobicContact CE1-CD2 4.38Å; F25-I158 HydrophobicContact CE1-CD1 3.6Å; F25-I158 HydrophobicContact CE1-CG1 3.83Å; F25-I158 HydrophobicContact CZ-CB 4.38Å; F25-I158 HydrophobicContact CZ-CD1 3.73Å; F25-I158 HydrophobicContact CZ-CG1 3.72Å; F25-I158 HydrophobicContact CZ-CG2 3.96Å
26L89.4Confident90.7Very high62 Ų6236.5 Ų36.533%0.32521%0.205SC..Hα-helixtrans-63.9-47.3-178.5-79176.7000112.1F5 I14 K17 N24 V28 T29 E30F5-L26 HydrophobicContact CZ-CD2 4.5Å; I14-L26 HydrophobicContact CD1-CD2 3.76Å; K17-L26 HydrophobicContact CD-CD2 3.47Å; K17-L26 VanDerWaalsContact CD-CD2 3.47Å; K17-L26 HydrophobicContact CD-CG 4.35Å; N24-L26 VanDerWaalsContact C-N 3.26Å; N24-L26 PolarHBondContact O-N 3.34Å; L26-V28 PolarHBondContact O-N 3.37Å; L26-T29 PolarHBondContact O-N 2.96Å; L26-E30 WeakPolarHBondContact O-CG 3.34Å; L26-E30 PolarHBondContact O-N 3.3Å
27E87.8Confident90.6Very high86 Ų8639.3 Ų39.340%0.40222%0.223SC..Hα-helixtrans-62.6-46.4-178.6-170.5-179.1-176.900110.8N24 E30 Q31 L154N24-E27 PolarHBondContact O-N 3.31Å; E27-E30 PolarHBondContact O-N 3.13Å; E27-Q31 PolarHBondContact O-N 2.85Å; E27-L154 HydrophobicContact CB-CD2 4.42Å; E27-L154 HydrophobicContact CG-CD1 4.47Å; E27-L154 HydrophobicContact CG-CD2 3.79Å
28V90.7Very high90.4Very high0 Ų040.7 Ų40.70%024%0.239CC..Hα-helixtrans-61.7-46.2175.4167.70000111.2N24 L26 E30 Q31 I32 F52 L146 L154 L156N24-V28 PolarHBondContact O-N 2.62Å; L26-V28 PolarHBondContact O-N 3.37Å; V28-E30 PolarHBondContact O-N 3.27Å; V28-Q31 PolarHBondContact O-N 3.48Å; V28-I32 HydrophobicContact CG1-CD1 3.72Å; V28-I32 HydrophobicContact CG1-CG1 4.5Å; V28-I32 WeakPolarHBondContact O-CG1 3.48Å; V28-I32 PolarHBondContact O-N 3.29Å; V28-I32 VanDerWaalsContact O-N 3.11Å; V28-F52 HydrophobicContact CG1-CD1 4.33Å; V28-F52 HydrophobicContact CG1-CE1 3.47Å; V28-F52 VanDerWaalsContact CG1-CE1 3.47Å; V28-F52 HydrophobicContact CG1-CZ 4Å; V28-L146 HydrophobicContact CB-CD1 4.37Å; V28-L146 HydrophobicContact CG1-CD1 3.58Å; V28-L146 HydrophobicContact CG2-CD1 4.28Å; V28-L154 HydrophobicContact CG2-CD2 3.79Å; V28-L154 HydrophobicContact CG2-CG 4.09Å; V28-L156 HydrophobicContact CB-CD1 4.23Å; V28-L156 HydrophobicContact CG1-CD1 4.39Å; V28-L156 HydrophobicContact CG2-CB 4.4Å; V28-L156 HydrophobicContact CG2-CD1 3.91Å
29T92.4Very high90.3Very high0 Ų046.9 Ų46.90%027%0.268CS..Hα-helixtrans-61.8-43.3-179-65.10000111.7F5 V7 F25 L26 Q31 I32 L33F5-T29 HydrophobicContact CE1-CG2 4.17Å; F5-T29 WeakPolarHBondContact CE1-OG1 3.3Å; V7-T29 HydrophobicContact CG1-CG2 3.85Å; F25-T29 WeakPolarHBondContact O-CB 3.44Å; F25-T29 PolarHBondContact O-N 2.8Å; F25-T29 PolarHBondContact O-OG1 3.27Å; L26-T29 PolarHBondContact O-N 2.96Å; T29-Q31 VanDerWaalsContact C-N 3.28Å; T29-Q31 PolarHBondContact O-N 3.12Å; T29-I32 PolarHBondContact O-N 3.05Å; T29-I32 VanDerWaalsContact O-N 3.15Å; T29-L33 HydrophobicContact CG2-CD1 3.83Å; T29-L33 HydrophobicContact CG2-CG 3.99Å; T29-L33 WeakPolarHBondContact O-CB 3.43Å; T29-L33 VanDerWaalsContact O-CG 3.26Å; T29-L33 WeakPolarHBondContact O-CG 3.42Å; T29-L33 PolarHBondContact O-N 3.35Å
30E90.8Very high90.4Very high100 Ų10049.7 Ų49.747%0.46728%0.278SS..Hα-helixtrans-60-39.3179.4-76.3177.5-177.600112.1L26 E27 V28 A34L26-E30 WeakPolarHBondContact O-CG 3.34Å; L26-E30 PolarHBondContact O-N 3.3Å; E27-E30 PolarHBondContact O-N 3.13Å; V28-E30 PolarHBondContact O-N 3.27Å; E30-A34 PolarHBondContact O-N 2.79Å; E30-A34 VanDerWaalsContact O-N 3.12Å
31Q91.1Very high90.9Very high39 Ų3948.4 Ų48.418%0.18228%0.277CS..Hα-helixtrans-67-39.4174.9-65.8-165.32300112.9E27 V28 T29 A34 L146 V147E27-Q31 PolarHBondContact O-N 2.85Å; V28-Q31 PolarHBondContact O-N 3.48Å; T29-Q31 VanDerWaalsContact C-N 3.28Å; T29-Q31 PolarHBondContact O-N 3.12Å; Q31-A34 PolarHBondContact O-N 2.84Å; Q31-L146 HydrophobicContact CB-CD2 3.86Å; Q31-V147 VanDerWaalsContact CD-O 3.26Å; Q31-V147 PolarHBondContact NE2-O 3.04Å; Q31-V147 PolarHBondContact OE1-O 3.31Å
32I93.6Very high91.4Very high0 Ų051.3 Ų51.30%029%0.289CS..Hα-helixtrans-66.6-46.8177.5-63.8167.3000110V28 T29 A34 K35 I36 Y45 F52 L63 I144 L146V28-I32 HydrophobicContact CG1-CD1 3.72Å; V28-I32 HydrophobicContact CG1-CG1 4.5Å; V28-I32 WeakPolarHBondContact O-CG1 3.48Å; V28-I32 PolarHBondContact O-N 3.29Å; V28-I32 VanDerWaalsContact O-N 3.11Å; T29-I32 PolarHBondContact O-N 3.05Å; T29-I32 VanDerWaalsContact O-N 3.15Å; I32-A34 PolarHBondContact O-N 2.76Å; I32-K35 PolarHBondContact O-N 2.85Å; I32-I36 HydrophobicContact CG2-CD1 3.93Å; I32-I36 HydrophobicContact CG2-CG1 4.39Å; I32-I36 WeakPolarHBondContact O-CG1 3.37Å; I32-I36 PolarHBondContact O-N 3.44Å; I32-Y45 HydrophobicContact CG2-CD2 3.97Å; I32-Y45 HydrophobicContact CG2-CE2 4.02Å; I32-F52 HydrophobicContact CD1-CB 4.08Å; I32-F52 HydrophobicContact CD1-CD1 3.15Å; I32-F52 HydrophobicContact CD1-CD2 4.28Å; I32-F52 HydrophobicContact CD1-CE1 3.62Å; I32-F52 HydrophobicContact CD1-CG 3.56Å; I32-F52 HydrophobicContact CD1-CZ 4.37Å; I32-L63 HydrophobicContact CB-CD1 4.41Å; I32-L63 HydrophobicContact CG2-CD1 3.68Å; I32-I144 HydrophobicContact CG1-CD1 3.95Å; I32-L146 HydrophobicContact CG1-CD2 3.9Å
33L94.5Very high92Very high3 Ų350.7 Ų50.72%0.01628%0.28CS..Hα-helixtrans-58.6-36.1178.8-70.1178.1000112.1A9 I14 T29 K35 I36 I61A9-L33 HydrophobicContact CB-CD1 3.68Å; A9-L33 HydrophobicContact CB-CD2 3.81Å; A9-L33 HydrophobicContact CB-CG 4.42Å; I14-L33 HydrophobicContact CG1-CD1 4.03Å; T29-L33 HydrophobicContact CG2-CD1 3.83Å; T29-L33 HydrophobicContact CG2-CG 3.99Å; T29-L33 WeakPolarHBondContact O-CB 3.43Å; T29-L33 VanDerWaalsContact O-CG 3.26Å; T29-L33 WeakPolarHBondContact O-CG 3.42Å; T29-L33 PolarHBondContact O-N 3.35Å; L33-K35 PolarHBondContact O-N 2.85Å; L33-I36 HydrophobicContact CD2-CD1 4.36Å; L33-I36 PolarHBondContact O-N 2.95Å; L33-I61 HydrophobicContact CD2-CB 4.15Å; L33-I61 HydrophobicContact CD2-CD1 3.82Å; L33-I61 HydrophobicContact CD2-CG2 3.77Å
34A93Very high92.4Very high72 Ų7248.5 Ų48.560%0.59526%0.258SS*.Hα-helixtrans-65.6-21.7176.300000113.7T12 E30 Q31 I32T12-A34 HydrophobicContact CG2-CB 4.18Å; E30-A34 PolarHBondContact O-N 2.79Å; E30-A34 VanDerWaalsContact O-N 3.12Å; Q31-A34 PolarHBondContact O-N 2.84Å; I32-A34 PolarHBondContact O-N 2.76Å
35K92.1Very high92.7Very high97 Ų9748 Ų4842%0.42225%0.254SS..Hα-helixtrans-96.2-11.8179.5-65.4-179.5-177-172.90113.7I32 L33 I144 D145I32-K35 PolarHBondContact O-N 2.85Å; L33-K35 PolarHBondContact O-N 2.85Å; K35-I144 HydrophobicContact CD-CD1 3.81Å; K35-I144 HydrophobicContact CD-CG1 4.21Å; K35-D145 PolarHBondContact NZ-O 3.35Å
36I93.9Very high92.9Very high13 Ų1349.2 Ų49.27%0.06726%0.263CS..SBendtrans-81123.2-178-67.7169.4000109.3I32 L33 Y45 Y54 C56 I61 L63I32-I36 HydrophobicContact CG2-CD1 3.93Å; I32-I36 HydrophobicContact CG2-CG1 4.39Å; I32-I36 WeakPolarHBondContact O-CG1 3.37Å; I32-I36 PolarHBondContact O-N 3.44Å; L33-I36 HydrophobicContact CD2-CD1 4.36Å; L33-I36 PolarHBondContact O-N 2.95Å; I36-Y45 HydrophobicContact CG1-CE2 4.5Å; I36-Y54 HydrophobicContact CD1-CD1 3.64Å; I36-Y54 HydrophobicContact CD1-CD2 3.91Å; I36-Y54 HydrophobicContact CD1-CE1 3.86Å; I36-Y54 HydrophobicContact CD1-CE2 4.18Å; I36-Y54 HydrophobicContact CD1-CG 3.67Å; I36-Y54 HydrophobicContact CG1-CD1 4.09Å; I36-Y54 HydrophobicContact CG1-CD2 4.39Å; I36-Y54 HydrophobicContact CG1-CE1 3.75Å; I36-Y54 HydrophobicContact CG1-CE2 4.15Å; I36-Y54 HydrophobicContact CG1-CG 4.4Å; I36-Y54 HydrophobicContact CG2-CD2 4.14Å; I36-Y54 HydrophobicContact CG2-CE2 3.65Å; I36-C56 HydrophobicContact CG2-CB 4.27Å; I36-I61 HydrophobicContact CB-CD1 3.99Å; I36-I61 HydrophobicContact CD1-CD1 4.35Å; I36-I61 HydrophobicContact CD1-CG2 3.85Å; I36-I61 HydrophobicContact CG2-CD1 3.71Å; I36-I61 HydrophobicContact CG2-CG1 4.05Å; I36-L63 HydrophobicContact CD1-CD1 4.27Å
37P93.1Very high92.9Very high59 Ų5947 Ų4738%0.38325%0.251SS..  trans-67.1154.1174.730.4-35.4000110.6E39 N41P37-E39 PolarHBondContact O-N 2.9Å; P37-N41 VanDerWaalsContact CG-ND2 3.3Å; P37-N41 WeakPolarHBondContact CG-ND2 3.44Å
38S90.4Very high92.9Very high80 Ų8046.1 Ų46.156%0.55927%0.265SS*.SBendtrans-75.8-6.4-179.1-630000114.2
39E93.8Very high92.9Very high153 Ų15348.8 Ų48.872%0.71528%0.284SS*.SBendtrans-76.2159.1178.1-64.8178.9-174.600112P37 N41 C56P37-E39 PolarHBondContact O-N 2.9Å; E39-N41 PolarHBondContact O-N 2.79Å; E39-N41 VanDerWaalsContact O-N 3.14Å; E39-N41 PolarHBondContact O-OD1 3.3Å; E39-C56 WeakPolarHBondContact O-CB 3.3Å; E39-C56 PolarHBondContact O-SG 3.24Å; E39-C56 VanDerWaalsContact O-SG 3.33Å
40N93.9Very high92.9Very high94 Ų9450.4 Ų50.450%0.50329%0.29SS..SBendtrans-69.1112.4178.9-69.9-4.9000110.2C56 H57 D58N40-C56 WeakPolarHBondContact CA-O 3.33Å; N40-H57 WeakPolarHBondContact OD1-CA 3.47Å; N40-D58 PolarHBondContact OD1-N 3.33Å
41N94Very high93.1Very high48 Ų4846.5 Ų46.526%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-153.9164.8176.866.1-10000111.7P37 E39 Y54 C56P37-N41 VanDerWaalsContact CG-ND2 3.3Å; P37-N41 WeakPolarHBondContact CG-ND2 3.44Å; E39-N41 PolarHBondContact O-N 2.79Å; E39-N41 VanDerWaalsContact O-N 3.14Å; E39-N41 PolarHBondContact O-OD1 3.3Å; N41-Y54 PolarHBondContact ND2-OH 2.96Å; N41-Y54 VanDerWaalsContact ND2-OH 3.08Å; N41-Y54 WeakPolarHBondContact OD1-CE2 3.46Å; N41-C56 PolarHBondContact N-O 3.13Å; N41-C56 PolarHBondContact O-N 2.99Å; N41-C56 VanDerWaalsContact OD1-CB 3.24Å; N41-C56 WeakPolarHBondContact OD1-CB 3.38Å
42K94.8Very high93.4Very high71 Ų7144.7 Ų44.731%0.30926%0.264SS..EExtended strand (participates in β ladder)trans-129.9139.2173.8-56.1-179-172.7178.50107.7Y54 I55 F76 D135 I139K42-Y54 WeakPolarHBondContact CA-O 3.41Å; K42-I55 HydrophobicContact CD-CG1 4.3Å; K42-I55 HydrophobicContact CG-CB 4.47Å; K42-I55 HydrophobicContact CG-CG1 4.12Å; K42-I55 HydrophobicContact CG-CG2 4.23Å; K42-F76 HydrophobicContact CB-CE1 4.04Å; K42-D135 IonicContact NZ-OD2 2.6Å; K42-D135 PolarHBondContact NZ-OD2 2.88Å; K42-I139 HydrophobicContact CB-CD1 3.86Å; K42-I139 HydrophobicContact CB-CG1 4.01Å; K42-I139 HydrophobicContact CB-CG2 4.41Å; K42-I139 HydrophobicContact CD-CD1 3.84Å; K42-I139 HydrophobicContact CD-CG1 4.44Å
43L95.4Very high93.5Very high6 Ų644.7 Ų44.73%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-155.2156.4178.8-163.177000110.1Y45 Y54 M140 R142L43-Y45 HydrophobicContact CD2-CD1 4.05Å; L43-Y45 HydrophobicContact CD2-CE1 3.46Å; L43-Y45 VanDerWaalsContact CD2-CE1 3.46Å; L43-Y45 HydrophobicContact CD2-CE2 4.02Å; L43-Y45 VanDerWaalsContact CD2-CZ 3.44Å; L43-Y54 HydrophobicContact CB-CD1 4.23Å; L43-Y54 HydrophobicContact CB-CE1 3.43Å; L43-Y54 VanDerWaalsContact CB-CE1 3.43Å; L43-Y54 HydrophobicContact CB-CE2 4.47Å; L43-Y54 WeakPolarHBondContact CB-OH 3.44Å; L43-Y54 HydrophobicContact CD2-CE1 4.06Å; L43-Y54 HydrophobicContact CG-CE1 4.34Å; L43-Y54 PolarHBondContact N-O 3.48Å; L43-Y54 PolarHBondContact O-N 3.41Å; L43-M140 HydrophobicContact CD1-CB 3.71Å; L43-M140 HydrophobicContact CD1-CE 4.35Å; L43-M140 WeakPolarHBondContact CD1-O 3.11Å; L43-R142 HydrophobicContact CD1-CG 4.24Å; L43-R142 HydrophobicContact CD2-CG 4.44Å
44T96.1Very high93.7Very high0 Ų044.6 Ų44.60%026%0.264CS..EExtended strand (participates in β ladder)trans-113.7129164.9-60.50000109.2L51 F52 H53 F76 M140 V141 R142T44-L51 HydrophobicContact CG2-CB 4.22Å; T44-L51 HydrophobicContact CG2-CD2 4.17Å; T44-F52 CarbonylContact C-O 3.56Å; T44-F52 VanDerWaalsContact CA-O 3.3Å; T44-F52 WeakPolarHBondContact CA-O 3.26Å; T44-H53 WeakPolarHBondContact CG2-CE1 3.31Å; T44-H53 VanDerWaalsContact CG2-ND1 3.3Å; T44-H53 WeakPolarHBondContact CG2-ND1 3.39Å; T44-H53 PolarHBondContact OG1-ND1 2.9Å; T44-F76 WeakPolarHBondContact OG1-CE2 3.34Å; T44-M140 PolarHBondContact N-O 2.92Å; T44-V141 HydrophobicContact CG2-CG1 4.21Å; T44-V141 HydrophobicContact CG2-CG2 4.34Å; T44-V141 CarbonylContact O-C 3.48Å; T44-V141 VanDerWaalsContact O-CA 3.3Å; T44-V141 WeakPolarHBondContact O-CA 3.45Å; T44-R142 PolarHBondContact O-N 3.47Å
45Y95.9Very high93.8Very high21 Ų2141.4 Ų41.48%0.08224%0.236CC..EExtended strand (participates in β ladder)trans-94.7142.8163-64.6-67.5000110.8I32 I36 L43 L51 F52 Y54 R142 I144I32-Y45 HydrophobicContact CG2-CD2 3.97Å; I32-Y45 HydrophobicContact CG2-CE2 4.02Å; I36-Y45 HydrophobicContact CG1-CE2 4.5Å; L43-Y45 HydrophobicContact CD2-CD1 4.05Å; L43-Y45 HydrophobicContact CD2-CE1 3.46Å; L43-Y45 VanDerWaalsContact CD2-CE1 3.46Å; L43-Y45 HydrophobicContact CD2-CE2 4.02Å; L43-Y45 VanDerWaalsContact CD2-CZ 3.44Å; Y45-L51 WeakPolarHBondContact O-CA 3.45Å; Y45-F52 PolarHBondContact N-O 3.23Å; Y45-F52 PolarHBondContact O-N 3.16Å; Y45-Y54 HydrophobicContact CD2-CD1 4.37Å; Y45-Y54 HydrophobicContact CD2-CE1 4.18Å; Y45-Y54 HydrophobicContact CE2-CD1 4.16Å; Y45-Y54 AromaticContact CE2-CE1 3.6Å; Y45-Y54 HydrophobicContact CE2-CE1 3.6Å; Y45-R142 CarbonylContact C-O 3.45Å; Y45-R142 WeakPolarHBondContact CA-O 3.47Å; Y45-R142 HydrophobicContact CD1-CB 4.07Å; Y45-R142 HydrophobicContact CE1-CB 4.23Å; Y45-I144 HydrophobicContact CD1-CB 3.72Å; Y45-I144 HydrophobicContact CD1-CD1 3.97Å; Y45-I144 HydrophobicContact CD1-CG1 4.32Å; Y45-I144 HydrophobicContact CD1-CG2 4.37Å; Y45-I144 HydrophobicContact CD2-CD1 3.87Å; Y45-I144 HydrophobicContact CE1-CB 4.39Å; Y45-I144 HydrophobicContact CE1-CD1 4.07Å; Y45-I144 HydrophobicContact CE2-CD1 3.98Å; Y45-I144 HydrophobicContact CG-CB 3.93Å; Y45-I144 HydrophobicContact CG-CD1 3.86Å; Y45-I144 HydrophobicContact CG-CG1 4.5Å; Y45-I144 HydrophobicContact CG-CG2 4.11Å
46S93.8Very high94Very high29 Ų2936.9 Ų36.920%0.20322%0.217CC..EExtended strand (participates in β ladder)trans-108.4136.4168.8-175.70000109.9R142 I144S46-R142 PolarHBondContact N-O 3.39Å; S46-I144 PolarHBondContact O-N 2.95Å
47H90.7Very high94.1Very high15 Ų1539 Ų397%0.06923%0.226CC..EExtended strand (participates in β ladder)trans-151.3113.3172.5-168.493.5000110S49 Y50 F52 I144 L154H47-S49 PolarHBondContact O-N 2.9Å; H47-Y50 PolarHBondContact N-O 3.45Å; H47-Y50 PolarHBondContact O-N 2.93Å; H47-F52 HydrophobicContact CB-CD2 4.46Å; H47-F52 HydrophobicContact CB-CE2 3.52Å; H47-F52 HydrophobicContact CB-CZ 4.19Å; H47-I144 HydrophobicContact CB-CG2 4.05Å; H47-I144 PolarHBondContact ND1-O 3.45Å; H47-L154 PolarHBondContact NE2-O 3.01Å
48G88Confident94.1Very high69 Ų6940.1 Ų40.171%0.71123%0.229SC*.THydrogen-bonded Turntrans61.1-132.2-176.100000111.3Y50G48-Y50 VanDerWaalsContact C-N 3.27Å; G48-Y50 PolarHBondContact O-N 3.42Å
49S89.9Confident94.3Very high56 Ų5643.1 Ų43.139%0.39223%0.228SC..THydrogen-bonded Turntrans-90.422.5177.661.30000113.5H47 D68H47-S49 PolarHBondContact O-N 2.9Å; S49-D68 PolarHBondContact O-N 2.81Å; S49-D68 VanDerWaalsContact O-N 3.16Å
50Y93.2Very high94.5Very high33 Ų3336.1 Ų36.113%0.12920%0.196CC..EExtended strand (participates in β ladder)trans-132.6150.5-174.5-59-69.7000112.1L4 H47 G48 T66 D67 L156 I158L4-Y50 HydrophobicContact CD1-CD1 3.82Å; L4-Y50 HydrophobicContact CD1-CE1 3.61Å; H47-Y50 PolarHBondContact N-O 3.45Å; H47-Y50 PolarHBondContact O-N 2.93Å; G48-Y50 VanDerWaalsContact C-N 3.27Å; G48-Y50 PolarHBondContact O-N 3.42Å; Y50-T66 WeakPolarHBondContact CA-O 3.38Å; Y50-D67 WeakPolarHBondContact CE1-OD1 3.39Å; Y50-L156 HydrophobicContact CD1-CD2 4.28Å; Y50-L156 HydrophobicContact CD2-CB 4.09Å; Y50-L156 HydrophobicContact CD2-CD2 3.69Å; Y50-L156 HydrophobicContact CD2-CG 4.2Å; Y50-L156 HydrophobicContact CE2-CB 4.39Å; Y50-L156 HydrophobicContact CE2-CD2 4.19Å; Y50-L156 HydrophobicContact CE2-CG 4.36Å; Y50-L156 HydrophobicContact CG-CD2 3.73Å; Y50-I158 HydrophobicContact CD1-CD1 4.06Å; Y50-I158 HydrophobicContact CE1-CD1 3.42Å; Y50-I158 VanDerWaalsContact CE1-CD1 3.42Å; Y50-I158 HydrophobicContact CE2-CD1 4.08Å; Y50-I158 VanDerWaalsContact CZ-CD1 3.42Å
51L94.9Very high94.6Very high19 Ų1931.9 Ų31.910%0.09917%0.173CC..EExtended strand (participates in β ladder)trans-119.4139.7175.8-59.9175.8000110.5T44 Y45 H53 I65 T66 D68T44-L51 HydrophobicContact CG2-CB 4.22Å; T44-L51 HydrophobicContact CG2-CD2 4.17Å; Y45-L51 WeakPolarHBondContact O-CA 3.45Å; L51-H53 WeakPolarHBondContact CB-NE2 3.49Å; L51-I65 WeakPolarHBondContact O-CA 3.49Å; L51-T66 PolarHBondContact N-O 2.85Å; L51-T66 PolarHBondContact O-N 2.98Å; L51-D68 HydrophobicContact CG-CB 4.33Å
52F96.6Very high94.8Very high0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-115108.5176.1-47-99.5000107.7V28 I32 T44 Y45 H47 C64 I65 L156V28-F52 HydrophobicContact CG1-CD1 4.33Å; V28-F52 HydrophobicContact CG1-CE1 3.47Å; V28-F52 VanDerWaalsContact CG1-CE1 3.47Å; V28-F52 HydrophobicContact CG1-CZ 4Å; I32-F52 HydrophobicContact CD1-CB 4.08Å; I32-F52 HydrophobicContact CD1-CD1 3.15Å; I32-F52 HydrophobicContact CD1-CD2 4.28Å; I32-F52 HydrophobicContact CD1-CE1 3.62Å; I32-F52 HydrophobicContact CD1-CG 3.56Å; I32-F52 HydrophobicContact CD1-CZ 4.37Å; T44-F52 CarbonylContact C-O 3.56Å; T44-F52 VanDerWaalsContact CA-O 3.3Å; T44-F52 WeakPolarHBondContact CA-O 3.26Å; Y45-F52 PolarHBondContact N-O 3.23Å; Y45-F52 PolarHBondContact O-N 3.16Å; H47-F52 HydrophobicContact CB-CD2 4.46Å; H47-F52 HydrophobicContact CB-CE2 3.52Å; H47-F52 HydrophobicContact CB-CZ 4.19Å; F52-C64 WeakPolarHBondContact CA-O 3.26Å; F52-I65 HydrophobicContact CD1-CB 4.43Å; F52-I65 HydrophobicContact CD1-CD1 3.79Å; F52-I65 HydrophobicContact CD1-CG1 3.62Å; F52-I65 HydrophobicContact CD1-CG2 4.2Å; F52-I65 HydrophobicContact CE1-CD1 3.72Å; F52-I65 HydrophobicContact CE1-CG1 3.97Å; F52-I65 HydrophobicContact CE1-CG2 3.99Å; F52-L156 HydrophobicContact CE1-CD2 4.09Å; F52-L156 HydrophobicContact CZ-CD2 3.99Å
53H96.5Very high95Very high0 Ų026.2 Ų26.20%015%0.146CC..EExtended strand (participates in β ladder)trans-100.9136.5178.9-52.6-71.6000108.9T44 L51 L63 C64 T66 A75 F76 L79T44-H53 WeakPolarHBondContact CG2-CE1 3.31Å; T44-H53 VanDerWaalsContact CG2-ND1 3.3Å; T44-H53 WeakPolarHBondContact CG2-ND1 3.39Å; T44-H53 PolarHBondContact OG1-ND1 2.9Å; L51-H53 WeakPolarHBondContact CB-NE2 3.49Å; H53-L63 CarbonylContact O-C 3.54Å; H53-L63 VanDerWaalsContact O-CA 3.26Å; H53-L63 WeakPolarHBondContact O-CA 3.46Å; H53-C64 PolarHBondContact N-O 3.11Å; H53-C64 PolarHBondContact O-N 3.21Å; H53-T66 PolarHBondContact NE2-OG1 2.92Å; H53-A75 HydrophobicContact CB-CB 4.32Å; H53-A75 WeakPolarHBondContact CD2-CB 3.34Å; H53-F76 HydrophobicContact CB-CE2 4.22Å; H53-F76 HydrophobicContact CB-CZ 4.11Å; H53-F76 AromaticContact ND1-CE2 3.86Å; H53-L79 HydrophobicContact CB-CD1 3.82Å
54Y97.3Very high95.1Very high2 Ų226 Ų261%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-141.3153171.579.1-95.6000114I36 N41 K42 L43 Y45 C56 I61 Y62 F76I36-Y54 HydrophobicContact CD1-CD1 3.64Å; I36-Y54 HydrophobicContact CD1-CD2 3.91Å; I36-Y54 HydrophobicContact CD1-CE1 3.86Å; I36-Y54 HydrophobicContact CD1-CE2 4.18Å; I36-Y54 HydrophobicContact CD1-CG 3.67Å; I36-Y54 HydrophobicContact CG1-CD1 4.09Å; I36-Y54 HydrophobicContact CG1-CD2 4.39Å; I36-Y54 HydrophobicContact CG1-CE1 3.75Å; I36-Y54 HydrophobicContact CG1-CE2 4.15Å; I36-Y54 HydrophobicContact CG1-CG 4.4Å; I36-Y54 HydrophobicContact CG2-CD2 4.14Å; I36-Y54 HydrophobicContact CG2-CE2 3.65Å; N41-Y54 PolarHBondContact ND2-OH 2.96Å; N41-Y54 VanDerWaalsContact ND2-OH 3.08Å; N41-Y54 WeakPolarHBondContact OD1-CE2 3.46Å; K42-Y54 WeakPolarHBondContact CA-O 3.41Å; L43-Y54 HydrophobicContact CB-CD1 4.23Å; L43-Y54 HydrophobicContact CB-CE1 3.43Å; L43-Y54 VanDerWaalsContact CB-CE1 3.43Å; L43-Y54 HydrophobicContact CB-CE2 4.47Å; L43-Y54 WeakPolarHBondContact CB-OH 3.44Å; L43-Y54 HydrophobicContact CD2-CE1 4.06Å; L43-Y54 HydrophobicContact CG-CE1 4.34Å; L43-Y54 PolarHBondContact N-O 3.48Å; L43-Y54 PolarHBondContact O-N 3.41Å; Y45-Y54 HydrophobicContact CD2-CD1 4.37Å; Y45-Y54 HydrophobicContact CD2-CE1 4.18Å; Y45-Y54 HydrophobicContact CE2-CD1 4.16Å; Y45-Y54 AromaticContact CE2-CE1 3.6Å; Y45-Y54 HydrophobicContact CE2-CE1 3.6Å; Y54-C56 HydrophobicContact CD2-CB 4.35Å; Y54-C56 HydrophobicContact CE2-CB 4.18Å; Y54-I61 HydrophobicContact CD2-CG2 4.43Å; Y54-Y62 CarbonylContact C-O 3.53Å; Y54-Y62 WeakPolarHBondContact CA-O 3.39Å; Y54-Y62 WeakPolarHBondContact CB-O 3.39Å; Y54-F76 WeakPolarHBondContact O-CE1 3.4Å
55I96.3Very high95.1Very high4 Ų426 Ų262%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-119.2119.2166.2-58.1178.8000107K42 H57 I61 Y62 F76 L79 K83K42-I55 HydrophobicContact CD-CG1 4.3Å; K42-I55 HydrophobicContact CG-CB 4.47Å; K42-I55 HydrophobicContact CG-CG1 4.12Å; K42-I55 HydrophobicContact CG-CG2 4.23Å; I55-H57 HydrophobicContact CG2-CB 4.39Å; I55-I61 WeakPolarHBondContact O-CA 3.33Å; I55-Y62 PolarHBondContact N-O 2.78Å; I55-Y62 WeakPolarHBondContact O-CD2 3.31Å; I55-Y62 PolarHBondContact O-N 3.18Å; I55-F76 HydrophobicContact CD1-CD1 4.05Å; I55-F76 HydrophobicContact CG1-CD1 3.82Å; I55-F76 HydrophobicContact CG1-CE1 3.93Å; I55-L79 HydrophobicContact CD1-CB 3.64Å; I55-L79 HydrophobicContact CG1-CB 4.05Å; I55-L79 HydrophobicContact CG1-CD1 4.17Å; I55-K83 HydrophobicContact CG2-CD 4.27Å
56C96.4Very high95Very high3 Ų325 Ų252%0.0214%0.141CC..EExtended strand (participates in β ladder)trans-96.9123.8165.8-169.80000108.4I36 E39 N40 N41 Y54 I60 I61I36-C56 HydrophobicContact CG2-CB 4.27Å; E39-C56 WeakPolarHBondContact O-CB 3.3Å; E39-C56 PolarHBondContact O-SG 3.24Å; E39-C56 VanDerWaalsContact O-SG 3.33Å; N40-C56 WeakPolarHBondContact CA-O 3.33Å; N41-C56 PolarHBondContact N-O 3.13Å; N41-C56 PolarHBondContact O-N 2.99Å; N41-C56 VanDerWaalsContact OD1-CB 3.24Å; N41-C56 WeakPolarHBondContact OD1-CB 3.38Å; Y54-C56 HydrophobicContact CD2-CB 4.35Å; Y54-C56 HydrophobicContact CE2-CB 4.18Å; C56-I60 WeakPolarHBondContact CA-O 3.29Å; C56-I61 HydrophobicContact CB-CG1 4.35Å
57H95.1Very high95Very high57 Ų5724.6 Ų24.626%0.26414%0.137SC..EExtended strand (participates in β ladder)trans-146.9125.2177.5-171.683.4000110.1N40 I55 R59 I60 K83 Q87N40-H57 WeakPolarHBondContact OD1-CA 3.47Å; I55-H57 HydrophobicContact CG2-CB 4.39Å; H57-R59 PolarHBondContact O-N 3.25Å; H57-I60 PolarHBondContact N-O 2.84Å; H57-I60 PolarHBondContact O-N 2.79Å; H57-K83 HydrophobicContact CB-CD 4.19Å; H57-Q87 PolarHBondContact CD2-NE2 3.28Å
58D93.8Very high95Very high83 Ų8328.2 Ų28.244%0.44416%0.157SC..THydrogen-bonded Turntrans52.442.6-175.9-59.7-28.9000112.6N40 I60 Q95N40-D58 PolarHBondContact OD1-N 3.33Å; D58-I60 PolarHBondContact O-N 3.24Å; D58-I60 VanDerWaalsContact O-N 3.13Å; D58-Q95 PolarHBondContact O-NE2 3.48Å
59R94Very high95.1Very high143 Ų14331.1 Ų31.154%0.5416%0.156SC..THydrogen-bonded Turntrans64.46.7-176.7-48.8-179.1-69.1-162.1-3.9115.2H57 Q95H57-R59 PolarHBondContact O-N 3.25Å; R59-Q95 VanDerWaalsContact NE-OE1 3.14Å
60I97Very high95.2Very high6 Ų628.9 Ų28.93%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-98.5126.4171.9-52.3-56.2000108.5V8 A9 R10 L15 C56 H57 D58 Y62 F86 A94V8-I60 HydrophobicContact CG1-CG2 3.6Å; A9-I60 CarbonylContact O-C 3.58Å; A9-I60 WeakPolarHBondContact O-CA 3.33Å; R10-I60 HydrophobicContact CB-CD1 3.94Å; R10-I60 HydrophobicContact CG-CD1 4.06Å; L15-I60 HydrophobicContact CD1-CD1 4.31Å; C56-I60 WeakPolarHBondContact CA-O 3.29Å; H57-I60 PolarHBondContact N-O 2.84Å; H57-I60 PolarHBondContact O-N 2.79Å; D58-I60 PolarHBondContact O-N 3.24Å; D58-I60 VanDerWaalsContact O-N 3.13Å; I60-Y62 HydrophobicContact CB-CE2 4.08Å; I60-Y62 HydrophobicContact CG2-CD2 4.49Å; I60-Y62 HydrophobicContact CG2-CE1 4.02Å; I60-Y62 HydrophobicContact CG2-CE2 3.76Å; I60-F86 HydrophobicContact CG2-CD1 4.44Å; I60-F86 HydrophobicContact CG2-CE1 4.18Å; I60-A94 HydrophobicContact CD1-CB 3.8Å; I60-A94 HydrophobicContact CG1-CB 4.24Å
61I97.9Very high95Very high4 Ų432.7 Ų32.72%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-102.4123.4-179.1-58.6166.4000107.7V8 A9 L33 I36 Y54 I55 C56 L63V8-I61 CarbonylContact C-O 3.54Å; V8-I61 WeakPolarHBondContact CA-O 3.48Å; A9-I61 HydrophobicContact CB-CB 4.49Å; A9-I61 PolarHBondContact N-O 3.11Å; A9-I61 PolarHBondContact O-N 3.15Å; L33-I61 HydrophobicContact CD2-CB 4.15Å; L33-I61 HydrophobicContact CD2-CD1 3.82Å; L33-I61 HydrophobicContact CD2-CG2 3.77Å; I36-I61 HydrophobicContact CB-CD1 3.99Å; I36-I61 HydrophobicContact CD1-CD1 4.35Å; I36-I61 HydrophobicContact CD1-CG2 3.85Å; I36-I61 HydrophobicContact CG2-CD1 3.71Å; I36-I61 HydrophobicContact CG2-CG1 4.05Å; Y54-I61 HydrophobicContact CD2-CG2 4.43Å; I55-I61 WeakPolarHBondContact O-CA 3.33Å; C56-I61 HydrophobicContact CB-CG1 4.35Å; I61-L63 HydrophobicContact CG2-CB 4.29Å
62Y97.9Very high94.8Very high1 Ų136.5 Ų36.50%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-106.6115.4170.3-55-85.2000106.9V8 Y54 I55 I60 V82 K83 F86 Q87V8-Y62 HydrophobicContact CB-CD1 4.45Å; V8-Y62 HydrophobicContact CG1-CD1 3.96Å; V8-Y62 HydrophobicContact CG1-CE1 3.7Å; V8-Y62 HydrophobicContact CG2-CD1 3.85Å; V8-Y62 HydrophobicContact CG2-CE1 4.12Å; Y54-Y62 CarbonylContact C-O 3.53Å; Y54-Y62 WeakPolarHBondContact CA-O 3.39Å; Y54-Y62 WeakPolarHBondContact CB-O 3.39Å; I55-Y62 PolarHBondContact N-O 2.78Å; I55-Y62 WeakPolarHBondContact O-CD2 3.31Å; I55-Y62 PolarHBondContact O-N 3.18Å; I60-Y62 HydrophobicContact CB-CE2 4.08Å; I60-Y62 HydrophobicContact CG2-CD2 4.49Å; I60-Y62 HydrophobicContact CG2-CE1 4.02Å; I60-Y62 HydrophobicContact CG2-CE2 3.76Å; Y62-V82 HydrophobicContact CD1-CG1 3.98Å; Y62-K83 HydrophobicContact CD1-CB 4.18Å; Y62-K83 HydrophobicContact CD2-CB 3.92Å; Y62-K83 HydrophobicContact CD2-CD 4.3Å; Y62-K83 HydrophobicContact CD2-CG 3.99Å; Y62-K83 HydrophobicContact CE1-CB 4.08Å; Y62-K83 HydrophobicContact CE1-CG 4.41Å; Y62-K83 HydrophobicContact CE2-CB 3.82Å; Y62-K83 HydrophobicContact CE2-CD 4.03Å; Y62-K83 HydrophobicContact CE2-CG 3.49Å; Y62-K83 VanDerWaalsContact CE2-CG 3.49Å; Y62-K83 HydrophobicContact CG-CB 4.09Å; Y62-F86 HydrophobicContact CE1-CB 3.78Å; Y62-F86 HydrophobicContact CE1-CD1 4.01Å; Y62-F86 HydrophobicContact CE1-CG 4Å; Y62-F86 WeakPolarHBondContact OH-CD1 3.21Å; Y62-Q87 WeakPolarHBondContact OH-CG 3.22Å
63L98.2Very high94.4Very high0 Ų038.4 Ų38.40%018%0.184CC..EExtended strand (participates in β ladder)trans-129.3141.7-174.9178155.6000110.6A6 V7 I32 I36 H53 I61 I65A6-L63 CarbonylContact C-O 3.48Å; A6-L63 WeakPolarHBondContact CA-O 3.44Å; V7-L63 HydrophobicContact CG1-CB 3.7Å; V7-L63 HydrophobicContact CG1-CD2 3.81Å; V7-L63 HydrophobicContact CG1-CG 4.3Å; V7-L63 PolarHBondContact N-O 3.36Å; V7-L63 PolarHBondContact O-N 3.3Å; I32-L63 HydrophobicContact CB-CD1 4.41Å; I32-L63 HydrophobicContact CG2-CD1 3.68Å; I36-L63 HydrophobicContact CD1-CD1 4.27Å; H53-L63 CarbonylContact O-C 3.54Å; H53-L63 VanDerWaalsContact O-CA 3.26Å; H53-L63 WeakPolarHBondContact O-CA 3.46Å; I61-L63 HydrophobicContact CG2-CB 4.29Å; L63-I65 HydrophobicContact CD2-CG1 4.05Å
64C97.1Very high94.1Very high0 Ų040.9 Ų40.90%019%0.194CC..EExtended strand (participates in β ladder)trans-134.6157.8169.168.90000111.9I3 F5 A6 F52 H53 F78 L79I3-C64 HydrophobicContact CG2-CB 4.09Å; F5-C64 CarbonylContact O-C 3.56Å; F5-C64 VanDerWaalsContact O-CA 3.22Å; F5-C64 WeakPolarHBondContact O-CA 3.33Å; F5-C64 WeakPolarHBondContact O-CB 3.49Å; A6-C64 HydrophobicContact CB-CB 4.36Å; F52-C64 WeakPolarHBondContact CA-O 3.26Å; H53-C64 PolarHBondContact N-O 3.11Å; H53-C64 PolarHBondContact O-N 3.21Å; C64-F78 HydrophobicContact CB-CD1 4.07Å; C64-F78 HydrophobicContact CB-CE1 3.76Å; C64-L79 HydrophobicContact CB-CD2 3.99Å
65I96.2Very high93.8Very high0 Ų040.8 Ų40.80%019%0.193CC..EExtended strand (participates in β ladder)trans-119.5130177.9-53.5-179.3000107.7L4 F5 F25 L51 F52 L63 L156L4-I65 PolarHBondContact N-O 2.92Å; F5-I65 HydrophobicContact CB-CB 4.14Å; F5-I65 HydrophobicContact CB-CD1 4.1Å; F5-I65 HydrophobicContact CB-CG1 4.22Å; F5-I65 HydrophobicContact CD1-CD1 3.71Å; F5-I65 HydrophobicContact CD1-CG1 4.08Å; F5-I65 HydrophobicContact CG-CD1 4.28Å; F5-I65 PolarHBondContact N-O 3.44Å; F5-I65 PolarHBondContact O-N 3.29Å; F25-I65 HydrophobicContact CD1-CD1 3.8Å; L51-I65 WeakPolarHBondContact O-CA 3.49Å; F52-I65 HydrophobicContact CD1-CB 4.43Å; F52-I65 HydrophobicContact CD1-CD1 3.79Å; F52-I65 HydrophobicContact CD1-CG1 3.62Å; F52-I65 HydrophobicContact CD1-CG2 4.2Å; F52-I65 HydrophobicContact CE1-CD1 3.72Å; F52-I65 HydrophobicContact CE1-CG1 3.97Å; F52-I65 HydrophobicContact CE1-CG2 3.99Å; L63-I65 HydrophobicContact CD2-CG1 4.05Å; I65-L156 HydrophobicContact CG2-CD2 3.66Å
66T95.1Very high93.7Very high0 Ų040.8 Ų40.80%019%0.193CC..EExtended strand (participates in β ladder)trans-132.7159.7-17970.50000110.4A2 I3 Y50 L51 H53 F70 A75A2-T66 VanDerWaalsContact O-CA 3.31Å; A2-T66 WeakPolarHBondContact O-CA 3.26Å; A2-T66 WeakPolarHBondContact O-CB 3.38Å; I3-T66 HydrophobicContact CB-CG2 4.43Å; I3-T66 HydrophobicContact CG1-CG2 4.09Å; I3-T66 HydrophobicContact CG2-CG2 4.35Å; Y50-T66 WeakPolarHBondContact CA-O 3.38Å; L51-T66 PolarHBondContact N-O 2.85Å; L51-T66 PolarHBondContact O-N 2.98Å; H53-T66 PolarHBondContact NE2-OG1 2.92Å; T66-F70 HydrophobicContact CG2-CD1 3.63Å; T66-F70 HydrophobicContact CG2-CE1 4.14Å; T66-F70 HydrophobicContact CG2-CG 4.34Å; T66-A75 HydrophobicContact CG2-CB 4.48Å
67D92.8Very high93.4Very high22 Ų2240.9 Ų40.912%0.11820%0.195CC..EExtended strand (participates in β ladder)trans-60.1157.5159.8-62.5-77000109.4A2 Y50 D69 F70 K160A2-D67 PolarHBondContact O-N 3.28Å; Y50-D67 WeakPolarHBondContact CE1-OD1 3.39Å; D67-D69 VanDerWaalsContact C-N 3.31Å; D67-D69 VanDerWaalsContact CB-OD1 3.29Å; D67-D69 WeakPolarHBondContact CB-OD1 3.39Å; D67-D69 PolarHBondContact O-N 3.21Å; D67-F70 WeakPolarHBondContact O-CB 3.35Å; D67-F70 PolarHBondContact O-N 3.43Å; D67-K160 IonicContact OD1-NZ 2.84Å; D67-K160 PolarHBondContact OD1-NZ 2.95Å; D67-K160 IonicContact OD2-NZ 3.7Å
68D91Very high93.3Very high91 Ų9138.2 Ų38.249%0.48718%0.183SC..THydrogen-bonded Turntrans-72.9-19.7-176.660.6-7.4000114.7S49 L51 F70S49-D68 PolarHBondContact O-N 2.81Å; S49-D68 VanDerWaalsContact O-N 3.16Å; L51-D68 HydrophobicContact CG-CB 4.33Å; D68-F70 VanDerWaalsContact C-N 3.27Å
69D90.6Very high93.4Very high129 Ų12934.4 Ų34.469%0.6916%0.162SC*.THydrogen-bonded Turntrans-78.2-9.2173.370.4-12.5000113.5D67D67-D69 VanDerWaalsContact C-N 3.31Å; D67-D69 VanDerWaalsContact CB-OD1 3.29Å; D67-D69 WeakPolarHBondContact CB-OD1 3.39Å; D67-D69 PolarHBondContact O-N 3.21Å
70F91.1Very high93.3Very high9 Ų928.9 Ų28.94%0.03915%0.146CC..SBendtrans-78.5129.4179.6-168.9-110000112A2 I3 T66 D67 D68 R72 R74 A75A2-F70 HydrophobicContact CB-CB 4.18Å; A2-F70 HydrophobicContact CB-CD2 3.17Å; A2-F70 HydrophobicContact CB-CE2 3.66Å; A2-F70 HydrophobicContact CB-CG 3.87Å; I3-F70 HydrophobicContact CD1-CE1 4.1Å; I3-F70 HydrophobicContact CD1-CZ 3.96Å; I3-F70 HydrophobicContact CG1-CD1 4.48Å; I3-F70 HydrophobicContact CG1-CE1 3.78Å; I3-F70 HydrophobicContact CG1-CE2 4.46Å; I3-F70 HydrophobicContact CG1-CZ 3.76Å; T66-F70 HydrophobicContact CG2-CD1 3.63Å; T66-F70 HydrophobicContact CG2-CE1 4.14Å; T66-F70 HydrophobicContact CG2-CG 4.34Å; D67-F70 WeakPolarHBondContact O-CB 3.35Å; D67-F70 PolarHBondContact O-N 3.43Å; D68-F70 VanDerWaalsContact C-N 3.27Å; F70-R72 PolarHBondContact O-N 2.95Å; F70-R74 HydrophobicContact CE1-CB 3.84Å; F70-R74 HydrophobicContact CE2-CB 4.24Å; F70-R74 HydrophobicContact CZ-CB 3.58Å; F70-A75 HydrophobicContact CD1-CB 4.04Å; F70-A75 HydrophobicContact CE1-CB 3.88Å
71E89.6Confident93.1Very high114 Ų11430.8 Ų30.853%0.53316%0.155SC..  trans-62.4124.3-178.1-65.7176.7-176.100112.3S73 R74 A75E71-S73 PolarHBondContact O-N 3.28Å; E71-S73 VanDerWaalsContact O-N 3.16Å; E71-R74 HydrophobicContact CB-CB 4.35Å; E71-R74 HydrophobicContact CB-CG 4.06Å; E71-R74 WeakPolarHBondContact O-CB 3.2Å; E71-R74 PolarHBondContact O-N 2.86Å; E71-R74 WeakPolarHBondContact OE2-CD 3.29Å; E71-A75 PolarHBondContact O-N 3.16Å; E71-A75 VanDerWaalsContact O-N 3.11Å
72R90.2Very high93Very high98 Ų9830.7 Ų30.737%0.3715%0.154SC..Hα-helixtrans-55.3-36.1178-61.6-167-70.8144.8-1.6112.7F70 R74 A75 F76 I139F70-R72 PolarHBondContact O-N 2.95Å; R72-R74 VanDerWaalsContact C-N 3.32Å; R72-R74 PolarHBondContact O-N 2.98Å; R72-A75 PolarHBondContact O-N 3.42Å; R72-F76 VanDerWaalsContact O-CD2 3.31Å; R72-F76 WeakPolarHBondContact O-CD2 3.27Å; R72-F76 PolarHBondContact O-N 3.33Å; R72-I139 PolarHBondContact NH1-O 2.93Å
73S87.8Confident92.9Very high41 Ų4132.9 Ų32.929%0.28716%0.163SC..Hα-helixtrans-58.2-44.3175.7490000112.3E71 G77 L136E71-S73 PolarHBondContact O-N 3.28Å; E71-S73 VanDerWaalsContact O-N 3.16Å; S73-G77 PolarHBondContact O-N 3.12Å; S73-L136 VanDerWaalsContact CB-CD1 3.41Å
74R89.8Confident92.7Very high51 Ų5138.8 Ų38.819%0.19219%0.189CC..Hα-helixtrans-68-37.7177-64.317862.2-161-1.8111.4F70 E71 R72 G77 F78 H117 S118F70-R74 HydrophobicContact CE1-CB 3.84Å; F70-R74 HydrophobicContact CE2-CB 4.24Å; F70-R74 HydrophobicContact CZ-CB 3.58Å; E71-R74 HydrophobicContact CB-CB 4.35Å; E71-R74 HydrophobicContact CB-CG 4.06Å; E71-R74 WeakPolarHBondContact O-CB 3.2Å; E71-R74 PolarHBondContact O-N 2.86Å; E71-R74 WeakPolarHBondContact OE2-CD 3.29Å; R72-R74 VanDerWaalsContact C-N 3.32Å; R72-R74 PolarHBondContact O-N 2.98Å; R74-G77 PolarHBondContact O-N 3.29Å; R74-F78 PolarHBondContact O-N 2.87Å; R74-H117 PolarHBondContact NH2-O 3.43Å; R74-S118 VanDerWaalsContact NH2-C 3.32Å; R74-S118 PolarHBondContact NH2-O 3.23Å; R74-S118 VanDerWaalsContact NH2-O 3.11Å
75A92.8Very high92.6Very high0 Ų043.7 Ų43.70%021%0.208CC..Hα-helixtrans-63.3-48.8175.800000112.4H53 T66 F70 E71 R72 G77 F78 L79H53-A75 HydrophobicContact CB-CB 4.32Å; H53-A75 WeakPolarHBondContact CD2-CB 3.34Å; T66-A75 HydrophobicContact CG2-CB 4.48Å; F70-A75 HydrophobicContact CD1-CB 4.04Å; F70-A75 HydrophobicContact CE1-CB 3.88Å; E71-A75 PolarHBondContact O-N 3.16Å; E71-A75 VanDerWaalsContact O-N 3.11Å; R72-A75 PolarHBondContact O-N 3.42Å; A75-G77 VanDerWaalsContact C-N 3.32Å; A75-G77 PolarHBondContact O-N 2.93Å; A75-F78 WeakPolarHBondContact O-CB 3.4Å; A75-F78 PolarHBondContact O-N 2.8Å; A75-L79 WeakPolarHBondContact O-CG 3.36Å; A75-L79 PolarHBondContact O-N 3.46Å
76F93.2Very high92.6Very high4 Ų443.8 Ų43.82%0.01821%0.208CC..Hα-helixtrans-70.2-28.7176.9-80.7-74.3000113.1K42 T44 H53 Y54 I55 R72 L79 S80 L136 I139K42-F76 HydrophobicContact CB-CE1 4.04Å; T44-F76 WeakPolarHBondContact OG1-CE2 3.34Å; H53-F76 HydrophobicContact CB-CE2 4.22Å; H53-F76 HydrophobicContact CB-CZ 4.11Å; H53-F76 AromaticContact ND1-CE2 3.86Å; Y54-F76 WeakPolarHBondContact O-CE1 3.4Å; I55-F76 HydrophobicContact CD1-CD1 4.05Å; I55-F76 HydrophobicContact CG1-CD1 3.82Å; I55-F76 HydrophobicContact CG1-CE1 3.93Å; R72-F76 VanDerWaalsContact O-CD2 3.31Å; R72-F76 WeakPolarHBondContact O-CD2 3.27Å; R72-F76 PolarHBondContact O-N 3.33Å; F76-L79 HydrophobicContact CD1-CD1 4.21Å; F76-L79 HydrophobicContact CE1-CD1 4.3Å; F76-L79 PolarHBondContact O-N 3.49Å; F76-S80 WeakPolarHBondContact O-CB 3.39Å; F76-S80 PolarHBondContact O-N 3.38Å; F76-S80 PolarHBondContact O-OG 2.97Å; F76-L136 HydrophobicContact CB-CD2 3.57Å; F76-L136 HydrophobicContact CD2-CD2 3.59Å; F76-L136 HydrophobicContact CG-CD2 3.71Å; F76-I139 HydrophobicContact CD1-CD1 3.84Å; F76-I139 HydrophobicContact CD2-CD1 3.9Å; F76-I139 HydrophobicContact CE1-CD1 3.71Å; F76-I139 HydrophobicContact CE1-CG2 4.46Å; F76-I139 HydrophobicContact CE2-CD1 3.77Å; F76-I139 HydrophobicContact CE2-CG2 3.85Å; F76-I139 HydrophobicContact CG-CD1 3.96Å; F76-I139 HydrophobicContact CZ-CD1 3.68Å; F76-I139 HydrophobicContact CZ-CG2 3.62Å
77G90.6Very high92.6Very high6 Ų646.6 Ų46.66%0.06222%0.221CC..Hα-helixtrans-59.1-50.3167.700000112.3S73 R74 A75 L79 S80 E81S73-G77 PolarHBondContact O-N 3.12Å; R74-G77 PolarHBondContact O-N 3.29Å; A75-G77 VanDerWaalsContact C-N 3.32Å; A75-G77 PolarHBondContact O-N 2.93Å; G77-L79 PolarHBondContact O-N 3.47Å; G77-S80 PolarHBondContact O-N 2.99Å; G77-E81 PolarHBondContact O-N 2.85Å; G77-E81 VanDerWaalsContact O-N 3.11Å
78F93Very high92.7Very high1 Ų151.1 Ų51.10%0.00425%0.25CC..Hα-helixtrans-56.3-50.3173.1163.9-99.9000111.7I3 A6 C64 R74 A75 S80 E81 V82 L110 Q113 M114 H117I3-F78 HydrophobicContact CD1-CB 4.02Å; I3-F78 HydrophobicContact CD1-CD1 4.17Å; I3-F78 HydrophobicContact CD1-CD2 4.09Å; I3-F78 HydrophobicContact CD1-CG 3.81Å; A6-F78 HydrophobicContact CB-CE1 3.8Å; A6-F78 HydrophobicContact CB-CZ 3.62Å; C64-F78 HydrophobicContact CB-CD1 4.07Å; C64-F78 HydrophobicContact CB-CE1 3.76Å; R74-F78 PolarHBondContact O-N 2.87Å; A75-F78 WeakPolarHBondContact O-CB 3.4Å; A75-F78 PolarHBondContact O-N 2.8Å; F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 2.84Å; F78-E81 PolarHBondContact O-N 2.93Å; F78-V82 HydrophobicContact CD1-CG2 4.5Å; F78-V82 HydrophobicContact CD2-CG2 4.02Å; F78-V82 HydrophobicContact CE1-CG2 4.06Å; F78-V82 HydrophobicContact CE2-CG2 3.55Å; F78-V82 HydrophobicContact CG-CG2 4.48Å; F78-V82 HydrophobicContact CZ-CG2 3.58Å; F78-V82 WeakPolarHBondContact O-CG2 3.41Å; F78-V82 PolarHBondContact O-N 2.85Å; F78-L110 HydrophobicContact CZ-CD2 4.45Å; F78-Q113 HydrophobicContact CD2-CB 3.92Å; F78-Q113 HydrophobicContact CE2-CB 3.6Å; F78-M114 HydrophobicContact CE2-CB 4.39Å; F78-M114 HydrophobicContact CE2-CG 3.68Å; F78-M114 HydrophobicContact CZ-CG 3.61Å; F78-H117 HydrophobicContact CB-CB 3.91Å; F78-H117 HydrophobicContact CD2-CB 4.22Å; F78-H117 HydrophobicContact CG-CB 4.47Å
79L95.2Very high92.9Very high2 Ų250.6 Ų50.61%0.0125%0.25CS..Hα-helixtrans-62.8-36.4-178.9-67.8177000112.7H53 I55 C64 A75 F76 G77 K83H53-L79 HydrophobicContact CB-CD1 3.82Å; I55-L79 HydrophobicContact CD1-CB 3.64Å; I55-L79 HydrophobicContact CG1-CB 4.05Å; I55-L79 HydrophobicContact CG1-CD1 4.17Å; C64-L79 HydrophobicContact CB-CD2 3.99Å; A75-L79 WeakPolarHBondContact O-CG 3.36Å; A75-L79 PolarHBondContact O-N 3.46Å; F76-L79 HydrophobicContact CD1-CD1 4.21Å; F76-L79 HydrophobicContact CE1-CD1 4.3Å; F76-L79 PolarHBondContact O-N 3.49Å; G77-L79 PolarHBondContact O-N 3.47Å; L79-K83 VanDerWaalsContact O-CB 3.26Å; L79-K83 WeakPolarHBondContact O-CB 3.42Å; L79-K83 PolarHBondContact O-N 3.25Å
80S93.1Very high93.1Very high28 Ų2845 Ų4520%0.19622%0.219CC..Hα-helixtrans-66.6-40.6177.7-62.90000111.9F76 G77 F78 K83 K84F76-S80 WeakPolarHBondContact O-CB 3.39Å; F76-S80 PolarHBondContact O-N 3.38Å; F76-S80 PolarHBondContact O-OG 2.97Å; G77-S80 PolarHBondContact O-N 2.99Å; F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 2.84Å; S80-K83 PolarHBondContact O-N 3.49Å; S80-K84 WeakPolarHBondContact O-CB 3.13Å; S80-K84 PolarHBondContact O-N 3.35Å
81E92.6Very high93.1Very high46 Ų4646.5 Ų46.522%0.21524%0.238CC..Hα-helixtrans-69.2-42.7176.4-176.558.8-163.700111.6G77 F78 K83 K84 R85G77-E81 PolarHBondContact O-N 2.85Å; G77-E81 VanDerWaalsContact O-N 3.11Å; F78-E81 PolarHBondContact O-N 2.93Å; E81-K83 VanDerWaalsContact C-N 3.34Å; E81-K83 PolarHBondContact O-N 2.94Å; E81-K84 PolarHBondContact O-N 3.29Å; E81-R85 WeakPolarHBondContact O-CG 3.48Å; E81-R85 PolarHBondContact O-N 2.94Å; E81-R85 IonicContact OE1-CZ 3.17Å; E81-R85 IonicContact OE1-NE 2.72Å; E81-R85 PolarHBondContact OE1-NE 3.44Å; E81-R85 IonicContact OE1-NH2 2.8Å; E81-R85 PolarHBondContact OE1-NH2 3.49Å
82V95.4Very high93.2Very high2 Ų245.9 Ų45.91%0.01225%0.246CC..Hα-helixtrans-59-461731720000110.8V8 Y62 F78 R85 F86 F106 L110 Q113V8-V82 HydrophobicContact CG2-CG1 4.06Å; Y62-V82 HydrophobicContact CD1-CG1 3.98Å; F78-V82 HydrophobicContact CD1-CG2 4.5Å; F78-V82 HydrophobicContact CD2-CG2 4.02Å; F78-V82 HydrophobicContact CE1-CG2 4.06Å; F78-V82 HydrophobicContact CE2-CG2 3.55Å; F78-V82 HydrophobicContact CG-CG2 4.48Å; F78-V82 HydrophobicContact CZ-CG2 3.58Å; F78-V82 WeakPolarHBondContact O-CG2 3.41Å; F78-V82 PolarHBondContact O-N 2.85Å; V82-R85 PolarHBondContact O-N 3.37Å; V82-F86 VanDerWaalsContact O-CB 3.27Å; V82-F86 WeakPolarHBondContact O-CB 3.23Å; V82-F86 PolarHBondContact O-N 2.97Å; V82-F106 HydrophobicContact CG1-CE1 3.82Å; V82-F106 HydrophobicContact CG1-CZ 4.07Å; V82-L110 HydrophobicContact CB-CD2 4.49Å; V82-L110 HydrophobicContact CG1-CD2 3.61Å; V82-L110 HydrophobicContact CG2-CD2 3.94Å; V82-Q113 HydrophobicContact CG2-CB 4.35Å
83K95.8Very high93.3Very high46 Ų4648.7 Ų48.720%0.226%0.257CS..Hα-helixtrans-56.8-53.4175.6177.1-178.193.178.70111.3I55 H57 Y62 L79 S80 E81 R85 F86 Q87I55-K83 HydrophobicContact CG2-CD 4.27Å; H57-K83 HydrophobicContact CB-CD 4.19Å; Y62-K83 HydrophobicContact CD1-CB 4.18Å; Y62-K83 HydrophobicContact CD2-CB 3.92Å; Y62-K83 HydrophobicContact CD2-CD 4.3Å; Y62-K83 HydrophobicContact CD2-CG 3.99Å; Y62-K83 HydrophobicContact CE1-CB 4.08Å; Y62-K83 HydrophobicContact CE1-CG 4.41Å; Y62-K83 HydrophobicContact CE2-CB 3.82Å; Y62-K83 HydrophobicContact CE2-CD 4.03Å; Y62-K83 HydrophobicContact CE2-CG 3.49Å; Y62-K83 VanDerWaalsContact CE2-CG 3.49Å; Y62-K83 HydrophobicContact CG-CB 4.09Å; L79-K83 VanDerWaalsContact O-CB 3.26Å; L79-K83 WeakPolarHBondContact O-CB 3.42Å; L79-K83 PolarHBondContact O-N 3.25Å; S80-K83 PolarHBondContact O-N 3.49Å; E81-K83 VanDerWaalsContact C-N 3.34Å; E81-K83 PolarHBondContact O-N 2.94Å; K83-R85 PolarHBondContact O-N 2.94Å; K83-F86 PolarHBondContact O-N 3.25Å; K83-Q87 HydrophobicContact CG-CG 4.26Å; K83-Q87 WeakPolarHBondContact O-CB 3.19Å; K83-Q87 VanDerWaalsContact O-CG 3.29Å; K83-Q87 WeakPolarHBondContact O-CG 3.48Å; K83-Q87 PolarHBondContact O-N 3.43Å
84K94.8Very high93.5Very high124 Ų12446.8 Ų46.854%0.53924%0.243SC..Hα-helixtrans-54-51.3179.7-179.2-178.6176.8-176.60110.9S80 E81 Q87 T88S80-K84 WeakPolarHBondContact O-CB 3.13Å; S80-K84 PolarHBondContact O-N 3.35Å; E81-K84 PolarHBondContact O-N 3.29Å; K84-Q87 PolarHBondContact O-N 2.97Å; K84-T88 WeakPolarHBondContact O-CB 3.45Å; K84-T88 PolarHBondContact O-N 2.89Å; K84-T88 PolarHBondContact O-OG1 3.46Å
85R95.1Very high93.6Very high103 Ų10346.7 Ų46.739%0.38925%0.245SC..Hα-helixtrans-61.8-48.2179.1-70.3178.4-176.4-96.3-11112.1E81 V82 K83 Q87 T88 T89 F106E81-R85 WeakPolarHBondContact O-CG 3.48Å; E81-R85 PolarHBondContact O-N 2.94Å; E81-R85 IonicContact OE1-CZ 3.17Å; E81-R85 IonicContact OE1-NE 2.72Å; E81-R85 PolarHBondContact OE1-NE 3.44Å; E81-R85 IonicContact OE1-NH2 2.8Å; E81-R85 PolarHBondContact OE1-NH2 3.49Å; V82-R85 PolarHBondContact O-N 3.37Å; K83-R85 PolarHBondContact O-N 2.94Å; R85-Q87 PolarHBondContact O-N 3.34Å; R85-T88 PolarHBondContact O-N 3.22Å; R85-T89 PolarHBondContact O-N 2.88Å; R85-T89 PolarHBondContact O-OG1 2.89Å; R85-F106 HydrophobicContact CB-CE2 4.2Å; R85-F106 HydrophobicContact CB-CZ 4.35Å
86F96.2Very high93.6Very high2 Ų252.4 Ų52.41%0.00928%0.28CS..Hα-helixtrans-62.2-43.3-178.5-169-93.7000112.2V8 L15 I60 Y62 V82 K83 T89 Y90 A94 M102 F106V8-F86 HydrophobicContact CB-CD2 4.38Å; V8-F86 HydrophobicContact CB-CE2 4.19Å; V8-F86 HydrophobicContact CB-CZ 4.48Å; V8-F86 HydrophobicContact CG1-CD1 3.99Å; V8-F86 HydrophobicContact CG1-CD2 3.99Å; V8-F86 HydrophobicContact CG1-CE1 3.76Å; V8-F86 HydrophobicContact CG1-CE2 3.79Å; V8-F86 HydrophobicContact CG1-CG 4.09Å; V8-F86 HydrophobicContact CG1-CZ 3.66Å; V8-F86 HydrophobicContact CG2-CD2 4.17Å; V8-F86 HydrophobicContact CG2-CE2 4.45Å; L15-F86 HydrophobicContact CB-CZ 4.31Å; L15-F86 HydrophobicContact CD1-CE1 4.27Å; L15-F86 HydrophobicContact CD1-CZ 3.82Å; I60-F86 HydrophobicContact CG2-CD1 4.44Å; I60-F86 HydrophobicContact CG2-CE1 4.18Å; Y62-F86 HydrophobicContact CE1-CB 3.78Å; Y62-F86 HydrophobicContact CE1-CD1 4.01Å; Y62-F86 HydrophobicContact CE1-CG 4Å; Y62-F86 WeakPolarHBondContact OH-CD1 3.21Å; V82-F86 VanDerWaalsContact O-CB 3.27Å; V82-F86 WeakPolarHBondContact O-CB 3.23Å; V82-F86 PolarHBondContact O-N 2.97Å; K83-F86 PolarHBondContact O-N 3.25Å; F86-T89 PolarHBondContact O-N 3.41Å; F86-Y90 HydrophobicContact CD1-CD2 4.37Å; F86-Y90 AromaticContact CD2-CD2 3.51Å; F86-Y90 HydrophobicContact CD2-CD2 3.51Å; F86-Y90 AromaticContact CD2-CE2 3.84Å; F86-Y90 HydrophobicContact CD2-CE2 3.84Å; F86-Y90 HydrophobicContact CE1-CD2 4.36Å; F86-Y90 AromaticContact CE2-CD2 3.47Å; F86-Y90 HydrophobicContact CE2-CD2 3.47Å; F86-Y90 VanDerWaalsContact CE2-CD2 3.47Å; F86-Y90 AromaticContact CE2-CE2 3.82Å; F86-Y90 HydrophobicContact CE2-CE2 3.82Å; F86-Y90 HydrophobicContact CE2-CG 4.41Å; F86-Y90 AromaticContact CG-CD2 3.99Å; F86-Y90 HydrophobicContact CG-CD2 3.99Å; F86-Y90 AromaticContact CZ-CD2 3.92Å; F86-Y90 HydrophobicContact CZ-CD2 3.92Å; F86-Y90 HydrophobicContact CZ-CG 4.49Å; F86-Y90 PolarHBondContact O-N 3.45Å; F86-A94 HydrophobicContact CE1-CB 3.59Å; F86-A94 HydrophobicContact CZ-CB 4.17Å; F86-M102 HydrophobicContact CE2-CB 4.1Å; F86-M102 HydrophobicContact CE2-CG 4.12Å; F86-M102 HydrophobicContact CZ-CG 4.21Å; F86-F106 HydrophobicContact CB-CE1 4.14Å; F86-F106 HydrophobicContact CB-CE2 4.06Å; F86-F106 HydrophobicContact CB-CZ 3.62Å; F86-F106 AromaticContact CD2-CD1 3.72Å; F86-F106 HydrophobicContact CD2-CD1 3.72Å; F86-F106 HydrophobicContact CD2-CD2 4.1Å; F86-F106 AromaticContact CD2-CE1 3.63Å; F86-F106 HydrophobicContact CD2-CE1 3.63Å; F86-F106 HydrophobicContact CD2-CE2 4.02Å; F86-F106 AromaticContact CD2-CG 3.96Å; F86-F106 HydrophobicContact CD2-CG 3.96Å; F86-F106 AromaticContact CD2-CZ 3.79Å; F86-F106 HydrophobicContact CD2-CZ 3.79Å; F86-F106 HydrophobicContact CE2-CD1 4.29Å; F86-F106 HydrophobicContact CE2-CG 4.44Å; F86-F106 HydrophobicContact CG-CE1 4.34Å; F86-F106 HydrophobicContact CG-CZ 4.22Å
87Q94.9Very high93.4Very high59 Ų5952.8 Ų52.828%0.27628%0.284SS..Hα-helixtrans-65-43.2177.3-70.8-174.7-56.800111.4H57 Y62 K83 K84 R85 T89 G91H57-Q87 PolarHBondContact CD2-NE2 3.28Å; Y62-Q87 WeakPolarHBondContact OH-CG 3.22Å; K83-Q87 HydrophobicContact CG-CG 4.26Å; K83-Q87 WeakPolarHBondContact O-CB 3.19Å; K83-Q87 VanDerWaalsContact O-CG 3.29Å; K83-Q87 WeakPolarHBondContact O-CG 3.48Å; K83-Q87 PolarHBondContact O-N 3.43Å; K84-Q87 PolarHBondContact O-N 2.97Å; R85-Q87 PolarHBondContact O-N 3.34Å; Q87-T89 VanDerWaalsContact C-N 3.35Å; Q87-T89 PolarHBondContact O-N 2.93Å; Q87-G91 WeakPolarHBondContact O-CA 3.47Å; Q87-G91 PolarHBondContact O-N 3.11Å
88T95.1Very high93.4Very high117 Ų11757.7 Ų57.772%0.71831%0.308SS*.Hα-helixtrans-62.6-40.2176.7-610000112.2K84 R85K84-T88 WeakPolarHBondContact O-CB 3.45Å; K84-T88 PolarHBondContact O-N 2.89Å; K84-T88 PolarHBondContact O-OG1 3.46Å; R85-T88 PolarHBondContact O-N 3.22Å
89T94.6Very high93.3Very high81 Ų8160.1 Ų60.150%0.49732%0.324SS..Hα-helixtrans-79.4-42.1-177.1-54.70000113.1R85 F86 Q87R85-T89 PolarHBondContact O-N 2.88Å; R85-T89 PolarHBondContact O-OG1 2.89Å; F86-T89 PolarHBondContact O-N 3.41Å; Q87-T89 VanDerWaalsContact C-N 3.35Å; Q87-T89 PolarHBondContact O-N 2.93Å
90Y94.4Very high93Very high11 Ų1162.8 Ų62.84%0.04333%0.334CS..Hα-helixtrans-113.6-26.1-169.5-58.5-65.6000114.3F86 S92 R93 M102 E105 F106F86-Y90 HydrophobicContact CD1-CD2 4.37Å; F86-Y90 AromaticContact CD2-CD2 3.51Å; F86-Y90 HydrophobicContact CD2-CD2 3.51Å; F86-Y90 AromaticContact CD2-CE2 3.84Å; F86-Y90 HydrophobicContact CD2-CE2 3.84Å; F86-Y90 HydrophobicContact CE1-CD2 4.36Å; F86-Y90 AromaticContact CE2-CD2 3.47Å; F86-Y90 HydrophobicContact CE2-CD2 3.47Å; F86-Y90 VanDerWaalsContact CE2-CD2 3.47Å; F86-Y90 AromaticContact CE2-CE2 3.82Å; F86-Y90 HydrophobicContact CE2-CE2 3.82Å; F86-Y90 HydrophobicContact CE2-CG 4.41Å; F86-Y90 AromaticContact CG-CD2 3.99Å; F86-Y90 HydrophobicContact CG-CD2 3.99Å; F86-Y90 AromaticContact CZ-CD2 3.92Å; F86-Y90 HydrophobicContact CZ-CD2 3.92Å; F86-Y90 HydrophobicContact CZ-CG 4.49Å; F86-Y90 PolarHBondContact O-N 3.45Å; Y90-S92 PolarHBondContact O-N 3.32Å; Y90-R93 VanDerWaalsContact O-CB 3.23Å; Y90-R93 WeakPolarHBondContact O-CB 3.49Å; Y90-R93 PolarHBondContact O-N 2.82Å; Y90-M102 HydrophobicContact CD1-CE 4.31Å; Y90-M102 HydrophobicContact CD1-CG 3.82Å; Y90-M102 HydrophobicContact CD2-CG 3.99Å; Y90-M102 HydrophobicContact CE1-CB 4.36Å; Y90-M102 HydrophobicContact CE1-CG 3.75Å; Y90-M102 HydrophobicContact CE2-CB 4.05Å; Y90-M102 HydrophobicContact CE2-CG 3.91Å; Y90-M102 HydrophobicContact CG-CE 4.34Å; Y90-M102 HydrophobicContact CG-CG 3.95Å; Y90-E105 WeakPolarHBondContact CE1-OE2 3.23Å; Y90-E105 VanDerWaalsContact OH-CB 3.23Å; Y90-E105 WeakPolarHBondContact OH-CB 3.2Å; Y90-E105 PolarHBondContact OH-OE2 3.37Å; Y90-F106 HydrophobicContact CE2-CB 4.1Å; Y90-F106 AromaticContact CE2-CD2 3.73Å; Y90-F106 HydrophobicContact CE2-CD2 3.73Å; Y90-F106 HydrophobicContact CE2-CE2 4.46Å; Y90-F106 HydrophobicContact CE2-CG 4.08Å
91G91.6Very high92.7Very high41 Ų4164.1 Ų64.142%0.42335%0.347SS..G310 helixtrans45.6-122.8178.600000113.3Q87 R93 A94Q87-G91 WeakPolarHBondContact O-CA 3.47Å; Q87-G91 PolarHBondContact O-N 3.11Å; G91-R93 VanDerWaalsContact C-N 3.3Å; G91-R93 PolarHBondContact O-N 3Å; G91-A94 PolarHBondContact O-N 3.47Å
92S91.4Very high92.6Very high101 Ų10162.3 Ų62.371%0.70634%0.339SS*.G310 helixtrans-69.5-19.6-179.359.30000114.5Y90 A94 Q95Y90-S92 PolarHBondContact O-N 3.32Å; S92-A94 PolarHBondContact O-N 2.93Å; S92-A94 VanDerWaalsContact O-N 3.14Å; S92-Q95 WeakPolarHBondContact O-CB 3.37Å; S92-Q95 PolarHBondContact O-N 2.81Å
93R91.7Very high92.4Very high157 Ų15763.5 Ų63.559%0.59235%0.345SS*.G310 helixtrans-59.5-28.5178.3-63.6171.862.3-168-2111.8Y90 G91 Q95 T96 A97Y90-R93 VanDerWaalsContact O-CB 3.23Å; Y90-R93 WeakPolarHBondContact O-CB 3.49Å; Y90-R93 PolarHBondContact O-N 2.82Å; G91-R93 VanDerWaalsContact C-N 3.3Å; G91-R93 PolarHBondContact O-N 3Å; R93-Q95 PolarHBondContact O-N 3.01Å; R93-T96 PolarHBondContact O-N 3.36Å; R93-A97 WeakPolarHBondContact O-CB 3.26Å; R93-A97 PolarHBondContact O-N 2.92Å
94A92.3Very high91.9Very high1 Ų165 Ų651%0.00836%0.361CS..G310 helixtrans-61.3-25.2176.100000113.7R10 L15 I60 F86 G91 S92 T96R10-A94 PolarHBondContact NH1-O 2.71Å; L15-A94 HydrophobicContact CD1-CB 4.15Å; I60-A94 HydrophobicContact CD1-CB 3.8Å; I60-A94 HydrophobicContact CG1-CB 4.24Å; F86-A94 HydrophobicContact CE1-CB 3.59Å; F86-A94 HydrophobicContact CZ-CB 4.17Å; G91-A94 PolarHBondContact O-N 3.47Å; S92-A94 PolarHBondContact O-N 2.93Å; S92-A94 VanDerWaalsContact O-N 3.14Å; A94-T96 PolarHBondContact O-N 2.76Å
95Q92.4Very high91.6Very high48 Ų4864.3 Ų64.322%0.22436%0.36CS..G310 helixtrans-72.6-27.6-175.6-62.2-63.5-44.400113.4R10 D58 R59 S92 R93R10-Q95 VanDerWaalsContact CD-O 3.3Å; R10-Q95 WeakPolarHBondContact CD-O 3.38Å; R10-Q95 VanDerWaalsContact CZ-O 3.24Å; R10-Q95 PolarHBondContact NE-O 3.48Å; R10-Q95 VanDerWaalsContact NH1-C 3.25Å; R10-Q95 PolarHBondContact NH1-O 3.39Å; R10-Q95 VanDerWaalsContact NH1-O 3.12Å; D58-Q95 PolarHBondContact O-NE2 3.48Å; R59-Q95 VanDerWaalsContact NE-OE1 3.14Å; S92-Q95 WeakPolarHBondContact O-CB 3.37Å; S92-Q95 PolarHBondContact O-N 2.81Å; R93-Q95 PolarHBondContact O-N 3.01Å
96T92.5Very high91.5Very high120 Ų12059.6 Ų59.674%0.73634%0.342SS*.THydrogen-bonded Turntrans-120.1-0.4-177.756.90000113.7R93 A94R93-T96 PolarHBondContact O-N 3.36Å; A94-T96 PolarHBondContact O-N 2.76Å
97A89.7Confident91.3Very high12 Ų1260 Ų6010%0.09935%0.345CS..PPolyproline II helixtrans-58.6145.7179.800000113.7R10 L15 R93 A101 M102R10-A97 VanDerWaalsContact NH1-N 3.1Å; R10-A97 PolarHBondContact NH1-O 3.2Å; R10-A97 PolarHBondContact NH2-O 2.86Å; L15-A97 HydrophobicContact CD2-CB 3.86Å; R93-A97 WeakPolarHBondContact O-CB 3.26Å; R93-A97 PolarHBondContact O-N 2.92Å; A97-A101 HydrophobicContact CB-CB 4.16Å; A97-M102 HydrophobicContact CB-CE 3.32Å; A97-M102 HydrophobicContact CB-SD 3.66Å
98L90.6Very high91.2Very high110 Ų11060.6 Ų60.658%0.57636%0.356SS*.PPolyproline II helixtrans-75162.2173.3-65.2176.3000110.7Y100 A101L98-Y100 PolarHBondContact O-N 3.17Å; L98-A101 HydrophobicContact CB-CB 4.5Å; L98-A101 WeakPolarHBondContact O-CB 3.25Å; L98-A101 PolarHBondContact O-N 3.5Å
99P90.2Very high91.1Very high51 Ų5156.9 Ų56.933%0.33133%0.333SS..THydrogen-bonded Turntrans-51.8134.8173.9-2330.2000111.9T13 I14 A101T13-P99 HydrophobicContact CG2-CB 4.08Å; T13-P99 HydrophobicContact CG2-CG 3.79Å; I14-P99 CarbonylContact O-C 3.54Å; I14-P99 WeakPolarHBondContact O-CA 3.39Å; P99-A101 PolarHBondContact O-N 3.17Å; P99-A101 VanDerWaalsContact O-N 3.12Å
100Y89.5Confident91.1Very high58 Ų5853.1 Ų53.123%0.22731%0.31CS..THydrogen-bonded Turntrans59.713.7179.1-51.6-76000116I14 L15 K17 L98 M102 N103 T174I14-Y100 HydrophobicContact CB-CE1 3.95Å; I14-Y100 HydrophobicContact CG2-CD1 3.97Å; I14-Y100 HydrophobicContact CG2-CE1 3.56Å; I14-Y100 PolarHBondContact O-N 3.3Å; L15-Y100 CarbonylContact O-C 3.31Å; L15-Y100 VanDerWaalsContact O-C 3.31Å; L15-Y100 VanDerWaalsContact O-CA 3.29Å; L15-Y100 WeakPolarHBondContact O-CA 3.23Å; K17-Y100 HydrophobicContact CD-CE1 4.13Å; L98-Y100 PolarHBondContact O-N 3.17Å; Y100-M102 PolarHBondContact O-N 3.31Å; Y100-M102 VanDerWaalsContact O-N 3.1Å; Y100-N103 HydrophobicContact CD1-CB 4.49Å; Y100-N103 WeakPolarHBondContact O-CB 3.13Å; Y100-N103 PolarHBondContact O-N 3.23Å; Y100-T174 HydrophobicContact CD2-CG2 4.24Å; Y100-T174 HydrophobicContact CE2-CG2 4.11Å
101A86.3Confident90.9Very high57 Ų5754 Ų5447%0.47132%0.319SS..THydrogen-bonded Turntrans-61.4-22.9-175.400000114.1A97 L98 P99A97-A101 HydrophobicContact CB-CB 4.16Å; L98-A101 HydrophobicContact CB-CB 4.5Å; L98-A101 WeakPolarHBondContact O-CB 3.25Å; L98-A101 PolarHBondContact O-N 3.5Å; P99-A101 PolarHBondContact O-N 3.17Å; P99-A101 VanDerWaalsContact O-N 3.12Å
102M90.5Very high90.9Very high7 Ų754.7 Ų54.73%0.03432%0.321CS..THydrogen-bonded Turntrans-105.6-0.6178.8-65.877.4171.500112.5L15 A16 F86 Y90 A97 Y100 S104 E105 F106L15-M102 HydrophobicContact CB-SD 4.12Å; L15-M102 HydrophobicContact CD2-SD 4.3Å; L15-M102 PolarHBondContact O-N 3.14Å; A16-M102 HydrophobicContact CB-CB 4.37Å; F86-M102 HydrophobicContact CE2-CB 4.1Å; F86-M102 HydrophobicContact CE2-CG 4.12Å; F86-M102 HydrophobicContact CZ-CG 4.21Å; Y90-M102 HydrophobicContact CD1-CE 4.31Å; Y90-M102 HydrophobicContact CD1-CG 3.82Å; Y90-M102 HydrophobicContact CD2-CG 3.99Å; Y90-M102 HydrophobicContact CE1-CB 4.36Å; Y90-M102 HydrophobicContact CE1-CG 3.75Å; Y90-M102 HydrophobicContact CE2-CB 4.05Å; Y90-M102 HydrophobicContact CE2-CG 3.91Å; Y90-M102 HydrophobicContact CG-CE 4.34Å; Y90-M102 HydrophobicContact CG-CG 3.95Å; A97-M102 HydrophobicContact CB-CE 3.32Å; A97-M102 HydrophobicContact CB-SD 3.66Å; Y100-M102 PolarHBondContact O-N 3.31Å; Y100-M102 VanDerWaalsContact O-N 3.1Å; M102-S104 PolarHBondContact O-N 2.66Å; M102-E105 PolarHBondContact O-N 3.08Å; M102-F106 HydrophobicContact CB-CB 4.47Å; M102-F106 VanDerWaalsContact O-CB 3.23Å; M102-F106 WeakPolarHBondContact O-CB 3.46Å; M102-F106 PolarHBondContact O-N 2.81Å
103N91.3Very high90.9Very high28 Ų2850.9 Ų50.915%0.1529%0.293CS..Hα-helixtrans-65.7-41.7-168.2-167.883.6000112.4L15 A16 K17 Y100 E105 S107L15-N103 PolarHBondContact O-N 3.18Å; A16-N103 WeakPolarHBondContact CA-OD1 3.3Å; K17-N103 PolarHBondContact N-OD1 3.48Å; K17-N103 PolarHBondContact O-OD1 2.85Å; Y100-N103 HydrophobicContact CD1-CB 4.49Å; Y100-N103 WeakPolarHBondContact O-CB 3.13Å; Y100-N103 PolarHBondContact O-N 3.23Å; N103-E105 VanDerWaalsContact C-N 3.25Å; N103-E105 PolarHBondContact O-N 2.84Å; N103-S107 WeakPolarHBondContact O-CB 3.49Å; N103-S107 PolarHBondContact O-N 3.18Å; N103-S107 PolarHBondContact O-OG 2.87Å
104S85.6Confident90.9Very high76 Ų7643.7 Ų43.753%0.53127%0.266SS..Hα-helixtrans-61-32.9-177.4510000113.7M102M102-S104 PolarHBondContact O-N 2.66Å
105E87.4Confident90.8Very high111 Ų11150.3 Ų50.352%0.51929%0.294SS..Hα-helixtrans-94.3-41.8-178.2-68.3172.6-170.100111.5Y90 M102 N103 S108Y90-E105 WeakPolarHBondContact CE1-OE2 3.23Å; Y90-E105 VanDerWaalsContact OH-CB 3.23Å; Y90-E105 WeakPolarHBondContact OH-CB 3.2Å; Y90-E105 PolarHBondContact OH-OE2 3.37Å; M102-E105 PolarHBondContact O-N 3.08Å; N103-E105 VanDerWaalsContact C-N 3.25Å; N103-E105 PolarHBondContact O-N 2.84Å; E105-S108 PolarHBondContact O-OG 3.18Å; E105-S108 VanDerWaalsContact O-OG 3.08Å
106F93.4Very high90.6Very high3 Ų352.6 Ų52.61%0.01331%0.305CS..Hα-helixtrans-91.5-17.5-168.9-157.4-106000113.8V8 A16 V82 R85 F86 Y90 M102 S108 T109 L110V8-F106 HydrophobicContact CG2-CD1 4.23Å; V8-F106 HydrophobicContact CG2-CE1 3.87Å; A16-F106 HydrophobicContact CB-CB 4Å; A16-F106 HydrophobicContact CB-CD1 4.07Å; V82-F106 HydrophobicContact CG1-CE1 3.82Å; V82-F106 HydrophobicContact CG1-CZ 4.07Å; R85-F106 HydrophobicContact CB-CE2 4.2Å; R85-F106 HydrophobicContact CB-CZ 4.35Å; F86-F106 HydrophobicContact CB-CE1 4.14Å; F86-F106 HydrophobicContact CB-CE2 4.06Å; F86-F106 HydrophobicContact CB-CZ 3.62Å; F86-F106 AromaticContact CD2-CD1 3.72Å; F86-F106 HydrophobicContact CD2-CD1 3.72Å; F86-F106 HydrophobicContact CD2-CD2 4.1Å; F86-F106 AromaticContact CD2-CE1 3.63Å; F86-F106 HydrophobicContact CD2-CE1 3.63Å; F86-F106 HydrophobicContact CD2-CE2 4.02Å; F86-F106 AromaticContact CD2-CG 3.96Å; F86-F106 HydrophobicContact CD2-CG 3.96Å; F86-F106 AromaticContact CD2-CZ 3.79Å; F86-F106 HydrophobicContact CD2-CZ 3.79Å; F86-F106 HydrophobicContact CE2-CD1 4.29Å; F86-F106 HydrophobicContact CE2-CG 4.44Å; F86-F106 HydrophobicContact CG-CE1 4.34Å; F86-F106 HydrophobicContact CG-CZ 4.22Å; Y90-F106 HydrophobicContact CE2-CB 4.1Å; Y90-F106 AromaticContact CE2-CD2 3.73Å; Y90-F106 HydrophobicContact CE2-CD2 3.73Å; Y90-F106 HydrophobicContact CE2-CE2 4.46Å; Y90-F106 HydrophobicContact CE2-CG 4.08Å; M102-F106 HydrophobicContact CB-CB 4.47Å; M102-F106 VanDerWaalsContact O-CB 3.23Å; M102-F106 WeakPolarHBondContact O-CB 3.46Å; M102-F106 PolarHBondContact O-N 2.81Å; F106-S108 VanDerWaalsContact C-N 3.29Å; F106-S108 PolarHBondContact O-N 2.78Å; F106-T109 HydrophobicContact CD2-CG2 4.34Å; F106-T109 HydrophobicContact CE2-CG2 3.91Å; F106-T109 HydrophobicContact CZ-CG2 4.24Å; F106-T109 WeakPolarHBondContact O-CB 3.3Å; F106-T109 PolarHBondContact O-N 2.78Å; F106-L110 HydrophobicContact CD1-CD1 4.14Å; F106-L110 HydrophobicContact CD1-CD2 4.25Å; F106-L110 HydrophobicContact CD1-CG 3.83Å; F106-L110 HydrophobicContact CE1-CD2 3.84Å; F106-L110 HydrophobicContact CE1-CG 3.91Å; F106-L110 PolarHBondContact O-N 2.81Å
107S92.8Very high90.4Very high11 Ų1148.5 Ų48.58%0.07728%0.277CS..Hα-helixtrans-62.9-35.2178.165.30000112.8K17 N103 L110 A111K17-S107 WeakPolarHBondContact O-CB 3.33Å; N103-S107 WeakPolarHBondContact O-CB 3.49Å; N103-S107 PolarHBondContact O-N 3.18Å; N103-S107 PolarHBondContact O-OG 2.87Å; S107-L110 PolarHBondContact O-N 3.18Å; S107-A111 WeakPolarHBondContact O-CB 3.46Å; S107-A111 PolarHBondContact O-N 3.5Å
108S91.3Very high90.3Very high72 Ų7248.5 Ų48.550%0.50328%0.276SS..Hα-helixtrans-67.9-37.3175.760.40000111.7E105 F106 A111 A112E105-S108 PolarHBondContact O-OG 3.18Å; E105-S108 VanDerWaalsContact O-OG 3.08Å; F106-S108 VanDerWaalsContact C-N 3.29Å; F106-S108 PolarHBondContact O-N 2.78Å; S108-A111 PolarHBondContact O-N 3.41Å; S108-A112 WeakPolarHBondContact O-CB 3.33Å; S108-A112 PolarHBondContact O-N 2.91Å
109T92.9Very high90Very high39 Ų3945.9 Ų45.924%0.23926%0.263CS..Hα-helixtrans-64.6-45.2173.6-60.80000110.3F106 A111 A112 Q113F106-T109 HydrophobicContact CD2-CG2 4.34Å; F106-T109 HydrophobicContact CE2-CG2 3.91Å; F106-T109 HydrophobicContact CZ-CG2 4.24Å; F106-T109 WeakPolarHBondContact O-CB 3.3Å; F106-T109 PolarHBondContact O-N 2.78Å; T109-A111 PolarHBondContact O-N 2.82Å; T109-A112 PolarHBondContact O-N 3.31Å; T109-Q113 HydrophobicContact CG2-CG 4.41Å; T109-Q113 WeakPolarHBondContact O-CB 3.02Å; T109-Q113 VanDerWaalsContact O-CG 3.3Å; T109-Q113 WeakPolarHBondContact O-CG 3.43Å; T109-Q113 PolarHBondContact O-N 3.28Å
110L94.1Very high88.9Confident1 Ų147.4 Ų47.41%0.00527%0.273CS..Hα-helixtrans-57.4-47.4173.5-71.6173.6000111.4A6 A16 H18 F78 V82 F106 S107 A112 Q113 M114A6-L110 HydrophobicContact CB-CD2 4.22Å; A16-L110 HydrophobicContact CB-CD1 4.32Å; H18-L110 HydrophobicContact CB-CB 3.76Å; H18-L110 HydrophobicContact CB-CD1 4.3Å; F78-L110 HydrophobicContact CZ-CD2 4.45Å; V82-L110 HydrophobicContact CB-CD2 4.49Å; V82-L110 HydrophobicContact CG1-CD2 3.61Å; V82-L110 HydrophobicContact CG2-CD2 3.94Å; F106-L110 HydrophobicContact CD1-CD1 4.14Å; F106-L110 HydrophobicContact CD1-CD2 4.25Å; F106-L110 HydrophobicContact CD1-CG 3.83Å; F106-L110 HydrophobicContact CE1-CD2 3.84Å; F106-L110 HydrophobicContact CE1-CG 3.91Å; F106-L110 PolarHBondContact O-N 2.81Å; S107-L110 PolarHBondContact O-N 3.18Å; L110-A112 PolarHBondContact O-N 2.92Å; L110-Q113 PolarHBondContact O-N 3.14Å; L110-M114 WeakPolarHBondContact O-CB 3.39Å; L110-M114 VanDerWaalsContact O-CG 3.23Å; L110-M114 WeakPolarHBondContact O-CG 3.32Å; L110-M114 PolarHBondContact O-N 3.36Å
111A92.1Very high87.8Confident29 Ų2953.8 Ų53.824%0.2430%0.297CS..Hα-helixtrans-58-47.7178.100000112.5H18 S107 S108 T109 Q113 M114 K115H18-A111 VanDerWaalsContact CD2-CA 3.47Å; H18-A111 WeakPolarHBondContact CD2-CA 3.33Å; H18-A111 VanDerWaalsContact NE2-CB 3.27Å; H18-A111 WeakPolarHBondContact NE2-CB 3.25Å; S107-A111 WeakPolarHBondContact O-CB 3.46Å; S107-A111 PolarHBondContact O-N 3.5Å; S108-A111 PolarHBondContact O-N 3.41Å; T109-A111 PolarHBondContact O-N 2.82Å; A111-Q113 PolarHBondContact O-N 3.35Å; A111-M114 PolarHBondContact O-N 3.11Å; A111-K115 PolarHBondContact O-N 3.44Å
112A91.3Very high86.4Confident56 Ų5652.5 Ų52.546%0.46329%0.289SS..Hα-helixtrans-62-44.2178.700000112S108 T109 L110 K115 H116S108-A112 WeakPolarHBondContact O-CB 3.33Å; S108-A112 PolarHBondContact O-N 2.91Å; T109-A112 PolarHBondContact O-N 3.31Å; L110-A112 PolarHBondContact O-N 2.92Å; A112-K115 PolarHBondContact O-N 2.91Å; A112-H116 WeakPolarHBondContact O-CB 3.29Å; A112-H116 PolarHBondContact O-N 2.7Å
113Q91.4Very high84.7Confident22 Ų2255.5 Ų55.510%0.10331%0.308CS..Hα-helixtrans-69.4-39.1178.7-66.4-51.8-52.400112.1F78 V82 T109 L110 A111 K115 H116 H117F78-Q113 HydrophobicContact CD2-CB 3.92Å; F78-Q113 HydrophobicContact CE2-CB 3.6Å; V82-Q113 HydrophobicContact CG2-CB 4.35Å; T109-Q113 HydrophobicContact CG2-CG 4.41Å; T109-Q113 WeakPolarHBondContact O-CB 3.02Å; T109-Q113 VanDerWaalsContact O-CG 3.3Å; T109-Q113 WeakPolarHBondContact O-CG 3.43Å; T109-Q113 PolarHBondContact O-N 3.28Å; L110-Q113 PolarHBondContact O-N 3.14Å; A111-Q113 PolarHBondContact O-N 3.35Å; Q113-K115 VanDerWaalsContact C-N 3.32Å; Q113-K115 PolarHBondContact O-N 3Å; Q113-H116 PolarHBondContact O-N 3.4Å; Q113-H117 WeakPolarHBondContact O-CB 3.47Å; Q113-H117 PolarHBondContact O-CD2 2.72Å; Q113-H117 PolarHBondContact O-N 3.48Å
114M91.8Very high82.6Confident6 Ų661.3 Ų61.33%0.0334%0.339CS..Hα-helixtrans-60.2-43.8175.3-76.5173.362.500111I3 A6 H18 W20 F78 L110 A111 S118I3-M114 HydrophobicContact CB-CE 4.48Å; I3-M114 HydrophobicContact CB-CG 4.43Å; I3-M114 HydrophobicContact CG2-CE 4.07Å; I3-M114 HydrophobicContact CG2-CG 3.98Å; I3-M114 VanDerWaalsContact O-CE 3.25Å; I3-M114 WeakPolarHBondContact O-CE 3.45Å; A6-M114 HydrophobicContact CB-CG 4.2Å; A6-M114 HydrophobicContact CB-SD 3.68Å; H18-M114 HydrophobicContact CB-SD 4.29Å; W20-M114 HydrophobicContact CB-CE 4.44Å; F78-M114 HydrophobicContact CE2-CB 4.39Å; F78-M114 HydrophobicContact CE2-CG 3.68Å; F78-M114 HydrophobicContact CZ-CG 3.61Å; L110-M114 WeakPolarHBondContact O-CB 3.39Å; L110-M114 VanDerWaalsContact O-CG 3.23Å; L110-M114 WeakPolarHBondContact O-CG 3.32Å; L110-M114 PolarHBondContact O-N 3.36Å; A111-M114 PolarHBondContact O-N 3.11Å; M114-S118 WeakPolarHBondContact O-CB 3.49Å; M114-S118 PolarHBondContact O-N 3.02Å; M114-S118 PolarHBondContact O-OG 3.23Å
115K89.8Confident80.9Confident140 Ų14068.7 Ų68.761%0.60936%0.355SS*.Hα-helixtrans-64-46.5176.4-173.3175.1-177.9176.70111.8M1 A111 A112 Q113 S118 D119M1-K115 HydrophobicContact CE-CG 4.34Å; A111-K115 PolarHBondContact O-N 3.44Å; A112-K115 PolarHBondContact O-N 2.91Å; Q113-K115 VanDerWaalsContact C-N 3.32Å; Q113-K115 PolarHBondContact O-N 3Å; K115-S118 PolarHBondContact O-N 2.95Å; K115-D119 PolarHBondContact O-N 2.91Å
116H88.8Confident79Confident96 Ų9666.1 Ų66.144%0.44435%0.347SS..Hα-helixtrans-62.1-47.5-179.3-176.359.5000112.3A112 Q113 S118A112-H116 WeakPolarHBondContact O-CB 3.29Å; A112-H116 PolarHBondContact O-N 2.7Å; Q113-H116 PolarHBondContact O-N 3.4Å; H116-S118 VanDerWaalsContact C-N 3.33Å; H116-S118 PolarHBondContact O-N 3.3Å
117H87.9Confident76.8Confident33 Ų3373.1 Ų73.115%0.15339%0.39CS..Hα-helixtrans-78.3-15.9-178.7-77.6-95000113.8I3 R74 F78 Q113I3-H117 HydrophobicContact CD1-CB 3.89Å; R74-H117 PolarHBondContact NH2-O 3.43Å; F78-H117 HydrophobicContact CB-CB 3.91Å; F78-H117 HydrophobicContact CD2-CB 4.22Å; F78-H117 HydrophobicContact CG-CB 4.47Å; Q113-H117 WeakPolarHBondContact O-CB 3.47Å; Q113-H117 PolarHBondContact O-CD2 2.72Å; Q113-H117 PolarHBondContact O-N 3.48Å
118S88.2Confident74.8Confident12 Ų1279.6 Ų79.68%0.08442%0.419CS..Hα-helixtrans-79.9-29.8174.6-68.40000113.3I3 R74 M114 K115 H116 P120I3-S118 PolarHBondContact N-OG 3.3Å; R74-S118 VanDerWaalsContact NH2-C 3.32Å; R74-S118 PolarHBondContact NH2-O 3.23Å; R74-S118 VanDerWaalsContact NH2-O 3.11Å; M114-S118 WeakPolarHBondContact O-CB 3.49Å; M114-S118 PolarHBondContact O-N 3.02Å; M114-S118 PolarHBondContact O-OG 3.23Å; K115-S118 PolarHBondContact O-N 2.95Å; H116-S118 VanDerWaalsContact C-N 3.33Å; H116-S118 PolarHBondContact O-N 3.3Å; S118-P120 VanDerWaalsContact O-CD 3.3Å; S118-P120 WeakPolarHBondContact O-CD 3.48Å
119D82.5Confident72.9Confident56 Ų5679 Ų7930%0.29941%0.413SS..  trans-80.4114.4-179.6-164.6-29.3000110.8K115 R121 G122K115-D119 PolarHBondContact O-N 2.91Å; D119-R121 PolarHBondContact O-N 2.8Å; D119-R121 WeakPolarHBondContact OD1-CB 3.47Å; D119-R121 IonicContact OD1-CZ 3.78Å; D119-R121 PolarHBondContact OD1-N 3.32Å; D119-R121 IonicContact OD1-NE 3.64Å; D119-R121 PolarHBondContact OD1-NE 3.12Å; D119-R121 VanDerWaalsContact OD1-NE 3.13Å; D119-R121 IonicContact OD1-NH2 3.01Å; D119-R121 IonicContact OD2-CZ 3.9Å; D119-R121 IonicContact OD2-NE 3.13Å; D119-R121 IonicContact OD2-NH2 3.74Å; D119-R121 PolarHBondContact OD2-NH2 2.72Å; D119-G122 PolarHBondContact O-N 2.82Å
120P67.5Low70.7Confident83 Ų8384.8 Ų84.854%0.53944%0.437SS..G310 helixtrans-63.3-23.9179.125-32.3000113.2S118 G122 T123S118-P120 VanDerWaalsContact O-CD 3.3Å; S118-P120 WeakPolarHBondContact O-CD 3.48Å; P120-G122 VanDerWaalsContact C-N 3.34Å; P120-T123 PolarHBondContact O-OG1 3.1Å
121R66.5Low68.5Low191 Ų19192.7 Ų92.772%0.72148%0.476SS*.G310 helixtrans-81.2-13.7-179.3-58168.8-64.5-176.74.7113.2D119 T123D119-R121 PolarHBondContact O-N 2.8Å; D119-R121 WeakPolarHBondContact OD1-CB 3.47Å; D119-R121 IonicContact OD1-CZ 3.78Å; D119-R121 PolarHBondContact OD1-N 3.32Å; D119-R121 IonicContact OD1-NE 3.64Å; D119-R121 PolarHBondContact OD1-NE 3.12Å; D119-R121 VanDerWaalsContact OD1-NE 3.13Å; D119-R121 IonicContact OD1-NH2 3.01Å; D119-R121 IonicContact OD2-CZ 3.9Å; D119-R121 IonicContact OD2-NE 3.13Å; D119-R121 IonicContact OD2-NH2 3.74Å; D119-R121 PolarHBondContact OD2-NH2 2.72Å; R121-T123 PolarHBondContact O-N 3.04Å
122G56.8Low66.7Low30 Ų3094.1 Ų94.131%0.30948%0.477SS..G310 helixtrans-71.6-11.4176.200000113.8D119 P120D119-G122 PolarHBondContact O-N 2.82Å; P120-G122 VanDerWaalsContact C-N 3.34Å
123T54.8Low65Low71 Ų7194.9 Ų94.944%0.43648%0.477SS..G310 helixtrans-80.9-16.5-171.6-290000113.5P120 R121 R125 V126P120-T123 PolarHBondContact O-OG1 3.1Å; R121-T123 PolarHBondContact O-N 3.04Å; T123-R125 PolarHBondContact O-N 3.12Å; T123-V126 PolarHBondContact O-N 3.02Å
124D48.1Very low63.4Low149 Ų14999.3 Ų99.380%0.79750%0.501SS*.G310 helixtrans-68.9-1.9-173.6-81.6-17.5000115.3
125R48.8Very low62.2Low231 Ų231103.8 Ų103.887%0.87253%0.525SS*.G310 helixtrans-126.87.3-177.9-62.4-167.372150.72.6115.7T123T123-R125 PolarHBondContact O-N 3.12Å
126V48.2Very low61.2Low58 Ų5898.2 Ų98.235%0.35250%0.502SS..  trans-124.885179-173.50000110T123 E128T123-V126 PolarHBondContact O-N 3.02Å; V126-E128 HydrophobicContact CG1-CB 3.53Å; V126-E128 PolarHBondContact O-N 3.2Å
127T47.2Very low60.2Low150 Ų150101.6 Ų101.692%0.9252%0.515SS*.THydrogen-bonded Turntrans-58.116.8166.6-31.50000113.7
128E51.7Low59.7Low146 Ų146103.2 Ų103.268%0.68254%0.541SS*.THydrogen-bonded Turntrans-111.8-8-169.4-149.7175.4177.100113.3V126V126-E128 HydrophobicContact CG1-CB 3.53Å; V126-E128 PolarHBondContact O-N 3.2Å
129T51.3Low59.6Low61 Ų61103.3 Ų103.337%0.37454%0.54SS..SBendtrans-95.4-4.8-177.748.90000115M131 Q132T129-M131 PolarHBondContact O-N 3.19Å; T129-M131 VanDerWaalsContact O-N 3.13Å; T129-Q132 PolarHBondContact O-N 2.85Å
130Q45.2Very low59.9Low160 Ų160105.5 Ų105.575%0.74855%0.55SS**G310 helixtrans-63.6-18.8175.1-152.767.326.300112.9Q132Q130-Q132 VanDerWaalsContact C-N 3.29Å; Q130-Q132 PolarHBondContact O-N 3.25Å
131M48.3Very low61Low167 Ų167105 Ų10582%0.82355%0.545SS*.G310 helixtrans-76.4-7.1-179.5-71.1-176.467.700114.8T129T129-M131 PolarHBondContact O-N 3.19Å; T129-M131 VanDerWaalsContact O-N 3.13Å
132Q54.8Low62.3Low58 Ų58102 Ų10227%0.27153%0.534SS..G310 helixtrans-102.7-6.5-172.7-64.2-170.922.200114.8T129 Q130 L136T129-Q132 PolarHBondContact O-N 2.85Å; Q130-Q132 VanDerWaalsContact C-N 3.29Å; Q130-Q132 PolarHBondContact O-N 3.25Å; Q132-L136 VanDerWaalsContact O-CG 3.25Å; Q132-L136 WeakPolarHBondContact O-CG 3.23Å
133V55.6Low63.9Low73 Ų73107 Ų10744%0.44255%0.554SS.*THydrogen-bonded Turntrans-70.8-35.6-177-178.20000112.3L136V133-L136 PolarHBondContact O-N 3.41Å
134D57.3Low65.5Low115 Ų115103.9 Ų103.962%0.61553%0.534SS*.G310 helixtrans-71.2-32.4-179.8-75.5-34.8000112.8L136 K137D134-L136 PolarHBondContact O-N 3.41Å; D134-K137 PolarHBondContact O-N 2.9Å; D134-K137 WeakPolarHBondContact OD1-CE 3.45Å; D134-K137 IonicContact OD1-NZ 2.71Å; D134-K137 PolarHBondContact OD1-NZ 3.02Å
135D66.6Low67.3Low100 Ų100102.2 Ų102.254%0.53553%0.525SS..G310 helixtrans-71.4-14.9178.3-15142.2000112.3K42K42-D135 IonicContact NZ-OD2 2.6Å; K42-D135 PolarHBondContact NZ-OD2 2.88Å
136L68.8Low69Low23 Ų2391.2 Ų91.212%0.1248%0.484CS..G310 helixtrans-83.4-21.5177.3-56.7167.9000113.3S73 F76 Q132 V133 D134 G138 I139S73-L136 VanDerWaalsContact CB-CD1 3.41Å; F76-L136 HydrophobicContact CB-CD2 3.57Å; F76-L136 HydrophobicContact CD2-CD2 3.59Å; F76-L136 HydrophobicContact CG-CD2 3.71Å; Q132-L136 VanDerWaalsContact O-CG 3.25Å; Q132-L136 WeakPolarHBondContact O-CG 3.23Å; V133-L136 PolarHBondContact O-N 3.41Å; D134-L136 PolarHBondContact O-N 3.41Å; L136-G138 PolarHBondContact O-N 3.36Å; L136-G138 VanDerWaalsContact O-N 3.15Å; L136-I139 HydrophobicContact CD2-CD1 3.75Å; L136-I139 PolarHBondContact O-N 3.18Å
137K67.1Low70.5Confident166 Ų16692 Ų9272%0.72249%0.489SS*.THydrogen-bonded Turntrans-61.2-26-175-71.7174.7176.4161.90112.4D134D134-K137 PolarHBondContact O-N 2.9Å; D134-K137 WeakPolarHBondContact OD1-CE 3.45Å; D134-K137 IonicContact OD1-NZ 2.71Å; D134-K137 PolarHBondContact OD1-NZ 3.02Å
138G78.2Confident71.8Confident68 Ų6885.9 Ų85.970%0.70145%0.453SS*.THydrogen-bonded Turntrans-89.3-6.1175.300000115.2L136 M140L136-G138 PolarHBondContact O-N 3.36Å; L136-G138 VanDerWaalsContact O-N 3.15Å; G138-M140 PolarHBondContact O-N 3.36Å
139I85.5Confident72.6Confident13 Ų1388.7 Ų88.77%0.06747%0.466CS..  trans-85.2107.6-175.8-55.2-177.9000109.6K42 R72 F76 L136K42-I139 HydrophobicContact CB-CD1 3.86Å; K42-I139 HydrophobicContact CB-CG1 4.01Å; K42-I139 HydrophobicContact CB-CG2 4.41Å; K42-I139 HydrophobicContact CD-CD1 3.84Å; K42-I139 HydrophobicContact CD-CG1 4.44Å; R72-I139 PolarHBondContact NH1-O 2.93Å; F76-I139 HydrophobicContact CD1-CD1 3.84Å; F76-I139 HydrophobicContact CD2-CD1 3.9Å; F76-I139 HydrophobicContact CE1-CD1 3.71Å; F76-I139 HydrophobicContact CE1-CG2 4.46Å; F76-I139 HydrophobicContact CE2-CD1 3.77Å; F76-I139 HydrophobicContact CE2-CG2 3.85Å; F76-I139 HydrophobicContact CG-CD1 3.96Å; F76-I139 HydrophobicContact CZ-CD1 3.68Å; F76-I139 HydrophobicContact CZ-CG2 3.62Å; L136-I139 HydrophobicContact CD2-CD1 3.75Å; L136-I139 PolarHBondContact O-N 3.18Å
140M88.6Confident73.5Confident103 Ų10396.3 Ų96.351%0.50749%0.488SS..  trans-68.5146.2176.1-66.3178.2-74.300111.6L43 T44 G138 R142L43-M140 HydrophobicContact CD1-CB 3.71Å; L43-M140 HydrophobicContact CD1-CE 4.35Å; L43-M140 WeakPolarHBondContact CD1-O 3.11Å; T44-M140 PolarHBondContact N-O 2.92Å; G138-M140 PolarHBondContact O-N 3.36Å; M140-R142 VanDerWaalsContact CE-NH2 3.28Å
141V92.3Very high75Confident71 Ų7191.5 Ų91.543%0.4348%0.481SS..EExtended strand (participates in β ladder)trans-100.6132.9164.4-1750000107.2T44T44-V141 HydrophobicContact CG2-CG1 4.21Å; T44-V141 HydrophobicContact CG2-CG2 4.34Å; T44-V141 CarbonylContact O-C 3.48Å; T44-V141 VanDerWaalsContact O-CA 3.3Å; T44-V141 WeakPolarHBondContact O-CA 3.45Å
142R92.3Very high76.5Confident128 Ų12889.6 Ų89.648%0.48347%0.47SS..EExtended strand (participates in β ladder)trans-131.7145.1176.5-66.5-173.2-177.9172.7-3.5110.1L43 T44 Y45 S46 M140L43-R142 HydrophobicContact CD1-CG 4.24Å; L43-R142 HydrophobicContact CD2-CG 4.44Å; T44-R142 PolarHBondContact O-N 3.47Å; Y45-R142 CarbonylContact C-O 3.45Å; Y45-R142 WeakPolarHBondContact CA-O 3.47Å; Y45-R142 HydrophobicContact CD1-CB 4.07Å; Y45-R142 HydrophobicContact CE1-CB 4.23Å; S46-R142 PolarHBondContact N-O 3.39Å; M140-R142 VanDerWaalsContact CE-NH2 3.28Å
143D90.3Very high77.7Confident136 Ų13693.1 Ų93.173%0.72749%0.485SS*.EExtended strand (participates in β ladder)trans-73.8147.3169.2-60.8-38.3000110.1
144I89.9Confident79.1Confident5 Ų590.3 Ų90.33%0.02647%0.467CS..  trans-127.1124.3176.9-169.4160.9000111.2I32 K35 Y45 S46 H47 L146I32-I144 HydrophobicContact CG1-CD1 3.95Å; K35-I144 HydrophobicContact CD-CD1 3.81Å; K35-I144 HydrophobicContact CD-CG1 4.21Å; Y45-I144 HydrophobicContact CD1-CB 3.72Å; Y45-I144 HydrophobicContact CD1-CD1 3.97Å; Y45-I144 HydrophobicContact CD1-CG1 4.32Å; Y45-I144 HydrophobicContact CD1-CG2 4.37Å; Y45-I144 HydrophobicContact CD2-CD1 3.87Å; Y45-I144 HydrophobicContact CE1-CB 4.39Å; Y45-I144 HydrophobicContact CE1-CD1 4.07Å; Y45-I144 HydrophobicContact CE2-CD1 3.98Å; Y45-I144 HydrophobicContact CG-CB 3.93Å; Y45-I144 HydrophobicContact CG-CD1 3.86Å; Y45-I144 HydrophobicContact CG-CG1 4.5Å; Y45-I144 HydrophobicContact CG-CG2 4.11Å; S46-I144 PolarHBondContact O-N 2.95Å; H47-I144 HydrophobicContact CB-CG2 4.05Å; H47-I144 PolarHBondContact ND1-O 3.45Å; I144-L146 HydrophobicContact CD1-CD2 4Å; I144-L146 HydrophobicContact CG1-CD2 3.92Å; I144-L146 HydrophobicContact CG1-CG 4.41Å; I144-L146 HydrophobicContact CG2-CG 4.4Å
145D86.4Confident80.4Confident115 Ų11590.3 Ų90.362%0.61546%0.464SS*.  trans-89.2114170.6-66.9-41.8000110.1K35K35-D145 PolarHBondContact NZ-O 3.35Å
146L83Confident81.3Confident0 Ų086.2 Ų86.20%044%0.442CS..  trans-98.5134.8175.9-58.5172.6000108.4V28 Q31 I32 I144 K153 L154V28-L146 HydrophobicContact CB-CD1 4.37Å; V28-L146 HydrophobicContact CG1-CD1 3.58Å; V28-L146 HydrophobicContact CG2-CD1 4.28Å; Q31-L146 HydrophobicContact CB-CD2 3.86Å; I32-L146 HydrophobicContact CG1-CD2 3.9Å; I144-L146 HydrophobicContact CD1-CD2 4Å; I144-L146 HydrophobicContact CG1-CD2 3.92Å; I144-L146 HydrophobicContact CG1-CG 4.41Å; I144-L146 HydrophobicContact CG2-CG 4.4Å; L146-K153 WeakPolarHBondContact O-CA 3.44Å; L146-L154 HydrophobicContact CB-CB 3.96Å; L146-L154 WeakPolarHBondContact CB-O 3.37Å; L146-L154 PolarHBondContact O-N 3.49Å
147V79.7Confident82Confident75 Ų7590.5 Ų90.546%0.45546%0.464SS..BIsolated β-bridgetrans-131.9120.6-172.2-175.60000109.1Q31 E152Q31-V147 VanDerWaalsContact CD-O 3.26Å; Q31-V147 PolarHBondContact NE2-O 3.04Å; Q31-V147 PolarHBondContact OE1-O 3.31Å; V147-E152 CarbonylContact C-O 3.51Å; V147-E152 WeakPolarHBondContact CA-O 3.23Å
148A75.3Confident82.8Confident20 Ų2084.1 Ų84.117%0.16544%0.437CS..  trans-68.1165.6175.300000111.3R150 G151 E152 L154A148-R150 PolarHBondContact O-N 3.46Å; A148-G151 PolarHBondContact O-N 2.82Å; A148-E152 PolarHBondContact N-O 2.97Å; A148-L154 HydrophobicContact CB-CB 4.43Å
149Q67.7Low83Confident205 Ų20585 Ų8596%0.95843%0.426SS*.THydrogen-bonded Turntrans-56.5-21.9-179.1-69.1-177-5.800114.3
150R71.4Confident82.3Confident222 Ų22290.3 Ų90.384%0.83845%0.448SS*.THydrogen-bonded Turntrans-89.92.8178.9-63.9-178.4-180177.9-0114A148 E152A148-R150 PolarHBondContact O-N 3.46Å; R150-E152 VanDerWaalsContact C-N 3.3Å
151G75.8Confident81.3Confident59 Ų5989.6 Ų89.661%0.60845%0.45SS*.SBendtrans83.22-177.100000114.5A148A148-G151 PolarHBondContact O-N 2.82Å
152E80.5Confident79.4Confident127 Ų12792.2 Ų92.259%0.59346%0.458SS*.  trans-78148174.9-67.8172.6-168.200110.8V147 A148 R150 L154V147-E152 CarbonylContact C-O 3.51Å; V147-E152 WeakPolarHBondContact CA-O 3.23Å; A148-E152 PolarHBondContact N-O 2.97Å; R150-E152 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.01Å
153K80.1Confident77.5Confident132 Ų13289.8 Ų89.857%0.57445%0.454SS*.BIsolated β-bridgetrans-63.7121.5173.8-171.7-178.3179.4-1730108.9L146L146-K153 WeakPolarHBondContact O-CA 3.44Å
154L83.6Confident75.4Confident14 Ų1490.7 Ų90.77%0.07346%0.458CS..  trans-84.3114.5177.1179.666.9000109E27 V28 H47 L146 A148 E152E27-L154 HydrophobicContact CB-CD2 4.42Å; E27-L154 HydrophobicContact CG-CD1 4.47Å; E27-L154 HydrophobicContact CG-CD2 3.79Å; V28-L154 HydrophobicContact CG2-CD2 3.79Å; V28-L154 HydrophobicContact CG2-CG 4.09Å; H47-L154 PolarHBondContact NE2-O 3.01Å; L146-L154 HydrophobicContact CB-CB 3.96Å; L146-L154 WeakPolarHBondContact CB-O 3.37Å; L146-L154 PolarHBondContact O-N 3.49Å; A148-L154 HydrophobicContact CB-CB 4.43Å; E152-L154 PolarHBondContact O-N 3.01Å
155E85.4Confident73.3Confident115 Ų11594.6 Ų94.654%0.53748%0.482SS..  trans-96.2148.5173.5-62.9-168.8162.700111.2N24 L157N24-E155 PolarHBondContact ND2-O 3.13Å; E155-L157 PolarHBondContact O-N 3.29Å
156L84.9Confident71.2Confident14 Ų1495.1 Ų95.17%0.07349%0.485CS..  trans-78113.9174.7-178.264.8000109.5F25 V28 Y50 F52 I65 I158F25-L156 HydrophobicContact CD1-CD1 3.74Å; F25-L156 HydrophobicContact CE1-CD1 4.06Å; F25-L156 HydrophobicContact CE1-CD2 4.38Å; V28-L156 HydrophobicContact CB-CD1 4.23Å; V28-L156 HydrophobicContact CG1-CD1 4.39Å; V28-L156 HydrophobicContact CG2-CB 4.4Å; V28-L156 HydrophobicContact CG2-CD1 3.91Å; Y50-L156 HydrophobicContact CD1-CD2 4.28Å; Y50-L156 HydrophobicContact CD2-CB 4.09Å; Y50-L156 HydrophobicContact CD2-CD2 3.69Å; Y50-L156 HydrophobicContact CD2-CG 4.2Å; Y50-L156 HydrophobicContact CE2-CB 4.39Å; Y50-L156 HydrophobicContact CE2-CD2 4.19Å; Y50-L156 HydrophobicContact CE2-CG 4.36Å; Y50-L156 HydrophobicContact CG-CD2 3.73Å; F52-L156 HydrophobicContact CE1-CD2 4.09Å; F52-L156 HydrophobicContact CZ-CD2 3.99Å; I65-L156 HydrophobicContact CG2-CD2 3.66Å; L156-I158 HydrophobicContact CD1-CG1 4.43Å; L156-I158 HydrophobicContact CD2-CD1 3.87Å; L156-I158 HydrophobicContact CD2-CG1 4.31Å; L156-I158 HydrophobicContact CG-CD1 4.07Å; L156-I158 HydrophobicContact CG-CG1 3.94Å
157L84.6Confident69.3Low113 Ų11398.2 Ų98.259%0.59251%0.506SS*.  trans-103.4120.4179.4-62171.9000109.3G23 N24 E155G23-L157 CarbonylContact C-O 3.53Å; G23-L157 WeakPolarHBondContact CA-O 3.27Å; N24-L157 PolarHBondContact N-O 3.43Å; N24-L157 VanDerWaalsContact N-O 3.12Å; N24-L157 PolarHBondContact OD1-N 3.35Å; N24-L157 PolarHBondContact OD1-O 2.89Å; E155-L157 PolarHBondContact O-N 3.29Å
158I84Confident67.7Low32 Ų3298.2 Ų98.216%0.16451%0.51CS..EExtended strand (participates in β ladder)trans-125.6126.6-177.5-54-175.1000109.7L4 C21 F25 Y50 L156 K160L4-I158 HydrophobicContact CD1-CD1 3.36Å; L4-I158 HydrophobicContact CG-CD1 4.46Å; C21-I158 HydrophobicContact CB-CG2 4.4Å; C21-I158 WeakPolarHBondContact SG-CG2 3.35Å; F25-I158 HydrophobicContact CE1-CD1 3.6Å; F25-I158 HydrophobicContact CE1-CG1 3.83Å; F25-I158 HydrophobicContact CZ-CB 4.38Å; F25-I158 HydrophobicContact CZ-CD1 3.73Å; F25-I158 HydrophobicContact CZ-CG1 3.72Å; F25-I158 HydrophobicContact CZ-CG2 3.96Å; Y50-I158 HydrophobicContact CD1-CD1 4.06Å; Y50-I158 HydrophobicContact CE1-CD1 3.42Å; Y50-I158 VanDerWaalsContact CE1-CD1 3.42Å; Y50-I158 HydrophobicContact CE2-CD1 4.08Å; Y50-I158 VanDerWaalsContact CZ-CD1 3.42Å; L156-I158 HydrophobicContact CD1-CG1 4.43Å; L156-I158 HydrophobicContact CD2-CD1 3.87Å; L156-I158 HydrophobicContact CD2-CG1 4.31Å; L156-I158 HydrophobicContact CG-CD1 4.07Å; L156-I158 HydrophobicContact CG-CG1 3.94Å; I158-K160 HydrophobicContact CG2-CG 4.09Å
159D82.6Confident66.1Low86 Ų86102.7 Ų102.746%0.4654%0.535SS..EExtended strand (participates in β ladder)trans-95.6100.7168.2179.75.8000108.7C21 G22 T161C21-D159 WeakPolarHBondContact CB-O 3.36Å; G22-D159 PolarHBondContact N-O 2.88Å; G22-D159 PolarHBondContact O-N 3.04Å; D159-T161 PolarHBondContact O-N 3.37Å; D159-T161 VanDerWaalsContact O-N 3.07Å; D159-T161 VanDerWaalsContact OD1-CB 3.31Å; D159-T161 WeakPolarHBondContact OD1-CB 3.31Å; D159-T161 PolarHBondContact OD1-N 3.06Å; D159-T161 VanDerWaalsContact OD1-N 3.15Å; D159-T161 PolarHBondContact OD1-OG1 3.12Å
160K69.7Low65Low124 Ų12498.1 Ų98.154%0.53952%0.521SS..  trans-71.16.8-177.8-69.4-170.1176-170.30113.7D67 I158 E162D67-K160 IonicContact OD1-NZ 2.84Å; D67-K160 PolarHBondContact OD1-NZ 2.95Å; D67-K160 IonicContact OD2-NZ 3.7Å; I158-K160 HydrophobicContact CG2-CG 4.09Å; K160-E162 PolarHBondContact O-N 3.29Å
161T67.4Low63.8Low88 Ų8893.1 Ų93.154%0.5451%0.506SS..SBendtrans-61.5126.1171.6-50.70000109.6D159 N163D159-T161 PolarHBondContact O-N 3.37Å; D159-T161 VanDerWaalsContact O-N 3.07Å; D159-T161 VanDerWaalsContact OD1-CB 3.31Å; D159-T161 WeakPolarHBondContact OD1-CB 3.31Å; D159-T161 PolarHBondContact OD1-N 3.06Å; D159-T161 VanDerWaalsContact OD1-N 3.15Å; D159-T161 PolarHBondContact OD1-OG1 3.12Å; T161-N163 PolarHBondContact O-N 3.29Å
162E53.8Low62.3Low127 Ų12798.6 Ų98.659%0.59351%0.513SS*.  trans-62.2102.4179.6-74.5-167153.100110W20 K160 L164W20-E162 HydrophobicContact CZ2-CG 4.31Å; K160-E162 PolarHBondContact O-N 3.29Å; E162-L164 PolarHBondContact O-N 3.41Å; E162-L164 VanDerWaalsContact O-N 3.09Å
163N51.8Low60.6Low76 Ų7697.5 Ų97.541%0.40652%0.515SS..  trans-77.394.9167-85.3-38.6000107.7T161 V165T161-N163 PolarHBondContact O-N 3.29Å; N163-V165 HydrophobicContact CB-CB 4.45Å; N163-V165 HydrophobicContact CB-CG2 4.07Å; N163-V165 PolarHBondContact O-N 3.15Å
164L45.3Very low58.9Low156 Ų15694.7 Ų94.782%0.81751%0.509SS*.  trans-67.445159.3-80.8161.4000110.8E162 D166E162-L164 PolarHBondContact O-N 3.41Å; E162-L164 VanDerWaalsContact O-N 3.09Å; L164-D166 PolarHBondContact O-N 3.07Å
165V45.6Very low57Low86 Ų8696 Ų9652%0.52152%0.519SS..  trans-94.391.8175.5-1770000106.5N163 S167N163-V165 HydrophobicContact CB-CB 4.45Å; N163-V165 HydrophobicContact CB-CG2 4.07Å; N163-V165 PolarHBondContact O-N 3.15Å; V165-S167 PolarHBondContact O-N 3.41Å
166D42.7Very low55.4Low127 Ų12797.1 Ų97.168%0.67952%0.519SS*.  trans-39.3115.6158.3-174.438.6000108.1L164 S168L164-D166 PolarHBondContact O-N 3.07Å; D166-S168 PolarHBondContact O-N 3.11Å; D166-S168 PolarHBondContact O-OG 2.66Å; D166-S168 PolarHBondContact OD2-OG 2.95Å; D166-S168 VanDerWaalsContact OD2-OG 3.05Å
167S43.7Very low53.9Low64 Ų64101.1 Ų101.145%0.44854%0.54SS..THydrogen-bonded Turntrans-74.347.4-169.1-69.50000112V165V165-S167 PolarHBondContact O-N 3.41Å
168S45Very low52.4Low76 Ų7699.6 Ų99.653%0.53153%0.532SS..THydrogen-bonded Turntrans-105.5-11.6174.355.70000112.4D166D166-S168 PolarHBondContact O-N 3.11Å; D166-S168 PolarHBondContact O-OG 2.66Å; D166-S168 PolarHBondContact OD2-OG 2.95Å; D166-S168 VanDerWaalsContact OD2-OG 3.05Å
169V42.4Very low51.1Low113 Ų113100.9 Ų100.969%0.68555%0.547SS*.SBendtrans-12240-173.3-157.50000114.3
170T44.6Very low49.9Very low110 Ų110103.2 Ų103.268%0.67555%0.55SS*.SBendtrans-126.132.7157.2400000112.1
171F46Very low49.2Very low117 Ų11799.6 Ų99.651%0.51354%0.543SS..  trans-106.225.9174.4-142.3-93.4000113.5S175F171-S175 WeakPolarHBondContact CD1-OG 3.32Å; F171-S175 WeakPolarHBondContact CE1-OG 3.27Å
172K44.8Very low48.8Very low174 Ų174101.9 Ų101.976%0.75755%0.549SS*.SBendtrans-108-18.5178.7-119.8-178.5-177.3178.60115.5R176K172-R176 WeakPolarHBondContact O-CD 3.36Å; K172-R176 WeakPolarHBondContact O-CG 3.11Å
173T45.4Very low48.9Very low104 Ų10499.5 Ų99.564%0.63855%0.546SS*.SBendtrans-107.8-41.7-170.36.70000113.6
174T43.3Very low49.3Very low73 Ų73102.1 Ų102.145%0.44856%0.557SS.*Hα-helixtrans-81.3-31.7-176.7-38.30000113.1Y100 R176 N177Y100-T174 HydrophobicContact CD2-CG2 4.24Å; Y100-T174 HydrophobicContact CE2-CG2 4.11Å; T174-R176 VanDerWaalsContact C-N 3.26Å; T174-R176 PolarHBondContact O-N 2.95Å; T174-N177 PolarHBondContact O-N 2.87Å
175S44.8Very low50.1Low41 Ų41102.8 Ų102.829%0.28755%0.553SS.*Hα-helixtrans-66.4-27.6173.2-50.60000112.4F171 A179F171-S175 WeakPolarHBondContact CD1-OG 3.32Å; F171-S175 WeakPolarHBondContact CE1-OG 3.27Å; S175-A179 WeakPolarHBondContact O-CB 3.4Å; S175-A179 PolarHBondContact O-N 3.36Å
176R50.1Low51.1Low139 Ų139104.2 Ų104.253%0.52556%0.558SS.*Hα-helixtrans-69.4-31.7176.5-78.3174.966.3146.2-6.4112.7K172 T174 R180K172-R176 WeakPolarHBondContact O-CD 3.36Å; K172-R176 WeakPolarHBondContact O-CG 3.11Å; T174-R176 VanDerWaalsContact C-N 3.26Å; T174-R176 PolarHBondContact O-N 2.95Å; R176-R180 WeakPolarHBondContact O-CB 3.29Å; R176-R180 VanDerWaalsContact O-CD 3.27Å; R176-R180 WeakPolarHBondContact O-CD 3.14Å; R176-R180 WeakPolarHBondContact O-CG 3.13Å; R176-R180 PolarHBondContact O-N 2.91Å
177N53.3Low52.6Low98 Ų98102.5 Ų102.552%0.52455%0.548SS..Hα-helixtrans-77-34.9179.4-70.4-15.1000111.8T174 R180 A181T174-N177 PolarHBondContact O-N 2.87Å; N177-R180 PolarHBondContact OD1-NH1 3.08Å; N177-A181 PolarHBondContact O-N 3.47Å
178L54.8Low54Low81 Ų81107.2 Ų107.242%0.42456%0.561SS.*Hα-helixtrans-72.8-41.3172.4-66.9168.9000112.1R180 A181 M182L178-R180 VanDerWaalsContact C-N 3.31Å; L178-R180 PolarHBondContact O-N 3.33Å; L178-A181 PolarHBondContact O-N 3.44Å; L178-M182 PolarHBondContact O-N 3.04Å
179A56.8Low55.5Low59 Ų59109 Ų10949%0.48856%0.564SS.*Hα-helixtrans-63.5-35.4172.400000112.2S175 C183S175-A179 WeakPolarHBondContact O-CB 3.4Å; S175-A179 PolarHBondContact O-N 3.36Å; A179-C183 WeakPolarHBondContact O-CB 3.27Å; A179-C183 PolarHBondContact O-N 3.49Å
180R55.9Low57.3Low134 Ų134109.2 Ų109.251%0.50656%0.559SS.*Hα-helixtrans-67-42.5173.3-79.5166.2179.2175.7-8.8112R176 N177 L178 C183 M184R176-R180 WeakPolarHBondContact O-CB 3.29Å; R176-R180 VanDerWaalsContact O-CD 3.27Å; R176-R180 WeakPolarHBondContact O-CD 3.14Å; R176-R180 WeakPolarHBondContact O-CG 3.13Å; R176-R180 PolarHBondContact O-N 2.91Å; N177-R180 PolarHBondContact OD1-NH1 3.08Å; L178-R180 VanDerWaalsContact C-N 3.31Å; L178-R180 PolarHBondContact O-N 3.33Å; R180-C183 PolarHBondContact O-N 2.93Å; R180-M184 WeakPolarHBondContact O-CG 3.49Å; R180-M184 PolarHBondContact O-N 3.28Å
181A56.4Low59.3Low49 Ų49107.9 Ų107.941%0.40555%0.551SS.*Hα-helixtrans-65-38.917600000112.4N177 L178 K185N177-A181 PolarHBondContact O-N 3.47Å; L178-A181 PolarHBondContact O-N 3.44Å; A181-K185 PolarHBondContact O-N 2.91Å
182M57.8Low61.4Low136 Ų136106.4 Ų106.467%0.6755%0.551SS**Hα-helixtrans-70.1-40.1173.3-80.3-170.6144.900112.6L178 M184 K185 N186L178-M182 PolarHBondContact O-N 3.04Å; M182-M184 PolarHBondContact O-N 3.04Å; M182-K185 PolarHBondContact O-N 3.5Å; M182-N186 PolarHBondContact O-N 3.4Å
183C57.1Low63.5Low76 Ų76102.4 Ų102.451%0.51454%0.541SS..Hα-helixtrans-61.6-42.3175.7-175.70000111.7A179 R180 K185 N186 L187A179-C183 WeakPolarHBondContact O-CB 3.27Å; A179-C183 PolarHBondContact O-N 3.49Å; R180-C183 PolarHBondContact O-N 2.93Å; C183-K185 VanDerWaalsContact C-N 3.31Å; C183-K185 PolarHBondContact O-N 3.25Å; C183-N186 PolarHBondContact O-N 3.29Å; C183-L187 WeakPolarHBondContact O-CB 3.05Å; C183-L187 PolarHBondContact O-N 3.32Å
184M60.5Low65.6Low131 Ų131101.1 Ų101.165%0.64553%0.532SS*.Hα-helixtrans-63.9-35178.3-72.2-169.9-58.300112.9R180 M182 K188R180-M184 WeakPolarHBondContact O-CG 3.49Å; R180-M184 PolarHBondContact O-N 3.28Å; M182-M184 PolarHBondContact O-N 3.04Å; M184-K188 WeakPolarHBondContact O-CB 3.21Å; M184-K188 PolarHBondContact O-N 3.48Å; M184-K188 VanDerWaalsContact O-N 3.12Å
185K61.8Low68Low170 Ų170102.7 Ų102.774%0.73954%0.538SS*.Hα-helixtrans-74.1-41.7175.7-65.9-172.5110.7-176.50111.9A181 M182 C183 L189A181-K185 PolarHBondContact O-N 2.91Å; M182-K185 PolarHBondContact O-N 3.5Å; C183-K185 VanDerWaalsContact C-N 3.31Å; C183-K185 PolarHBondContact O-N 3.25Å; K185-L189 PolarHBondContact O-N 3.48Å; K185-L189 VanDerWaalsContact O-N 3.11Å
186N65.3Low70.4Confident116 Ų116104.8 Ų104.862%0.6255%0.548SS*.Hα-helixtrans-69.3-35.4177.1-119.818.8000112.5M182 C183 L189 M190M182-N186 PolarHBondContact O-N 3.4Å; C183-N186 PolarHBondContact O-N 3.29Å; N186-L189 PolarHBondContact O-N 2.91Å; N186-M190 VanDerWaalsContact O-CB 3.31Å; N186-M190 WeakPolarHBondContact O-CB 3.36Å; N186-M190 PolarHBondContact O-N 3.45Å
187L74.4Confident72.4Confident91 Ų91100.4 Ų100.448%0.47654%0.542SS..Hα-helixtrans-67.9-43.7175.7-177.771.7000111C183 L189 M190 V191C183-L187 WeakPolarHBondContact O-CB 3.05Å; C183-L187 PolarHBondContact O-N 3.32Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 2.76Å; L187-M190 HydrophobicContact CD1-CE 4.38Å; L187-M190 PolarHBondContact O-N 3.32Å; L187-V191 HydrophobicContact CD1-CG2 4.42Å; L187-V191 HydrophobicContact CG-CG2 4.46Å; L187-V191 WeakPolarHBondContact O-CB 3.33Å; L187-V191 VanDerWaalsContact O-CG2 3.29Å; L187-V191 WeakPolarHBondContact O-CG2 3.35Å; L187-V191 PolarHBondContact O-N 2.95Å
188K74.6Confident74.2Confident163 Ų163101 Ų10171%0.70954%0.544SS*.Hα-helixtrans-60.6-39.4175.2-167.1175.8-177.4178.20111.3M184 V192M184-K188 WeakPolarHBondContact O-CB 3.21Å; M184-K188 PolarHBondContact O-N 3.48Å; M184-K188 VanDerWaalsContact O-N 3.12Å; K188-V192 VanDerWaalsContact O-CG2 3.27Å; K188-V192 WeakPolarHBondContact O-CG2 3.42Å; K188-V192 PolarHBondContact O-N 2.97Å
189L76.4Confident76Confident113 Ų113100.6 Ų100.659%0.59255%0.546SS*.Hα-helixtrans-67.8-44.5174.6-161.690.2000112K185 N186 L187 V191 V192 V193K185-L189 PolarHBondContact O-N 3.48Å; K185-L189 VanDerWaalsContact O-N 3.11Å; N186-L189 PolarHBondContact O-N 2.91Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 2.76Å; L189-V191 PolarHBondContact O-N 2.96Å; L189-V192 PolarHBondContact O-N 2.85Å; L189-V193 WeakPolarHBondContact O-CG2 3.31Å; L189-V193 PolarHBondContact O-N 3.09Å
190M78.9Confident77.7Confident118 Ų118101.3 Ų101.358%0.58154%0.543SS*.Hα-helixtrans-63.5-42.1-179.7-169.1177.69500112.3N186 L187 V192 V193 V194N186-M190 VanDerWaalsContact O-CB 3.31Å; N186-M190 WeakPolarHBondContact O-CB 3.36Å; N186-M190 PolarHBondContact O-N 3.45Å; L187-M190 HydrophobicContact CD1-CE 4.38Å; L187-M190 PolarHBondContact O-N 3.32Å; M190-V192 VanDerWaalsContact C-N 3.35Å; M190-V192 PolarHBondContact O-N 2.81Å; M190-V193 PolarHBondContact O-N 2.72Å; M190-V194 WeakPolarHBondContact O-CG2 3.31Å; M190-V194 PolarHBondContact O-N 3.46Å
191V88.1Confident79.3Confident83 Ų8399.8 Ų99.850%0.50355%0.545SS..Hα-helixtrans-62.6-42.2176.4170.40000111.1L187 L189 V194 L195L187-V191 HydrophobicContact CD1-CG2 4.42Å; L187-V191 HydrophobicContact CG-CG2 4.46Å; L187-V191 WeakPolarHBondContact O-CB 3.33Å; L187-V191 VanDerWaalsContact O-CG2 3.29Å; L187-V191 WeakPolarHBondContact O-CG2 3.35Å; L187-V191 PolarHBondContact O-N 2.95Å; L189-V191 PolarHBondContact O-N 2.96Å; V191-V194 PolarHBondContact O-N 3.33Å; V191-L195 WeakPolarHBondContact O-CB 3.14Å; V191-L195 PolarHBondContact O-N 3.01Å
192V89Confident80.8Confident85 Ų85102.2 Ų102.252%0.51554%0.544SS..Hα-helixtrans-64.2-43.41771720000111.1K188 L189 M190 L195 V196K188-V192 VanDerWaalsContact O-CG2 3.27Å; K188-V192 WeakPolarHBondContact O-CG2 3.42Å; K188-V192 PolarHBondContact O-N 2.97Å; L189-V192 PolarHBondContact O-N 2.85Å; M190-V192 VanDerWaalsContact C-N 3.35Å; M190-V192 PolarHBondContact O-N 2.81Å; V192-L195 PolarHBondContact O-N 3.49Å; V192-V196 WeakPolarHBondContact O-CG2 3.12Å; V192-V196 PolarHBondContact O-N 2.79Å
193V88.4Confident82.2Confident91 Ų91100.3 Ų100.355%0.55254%0.536SS*.Hα-helixtrans-63.7-43.3178.2172.10000111.9L189 M190 V196 A197L189-V193 WeakPolarHBondContact O-CG2 3.31Å; L189-V193 PolarHBondContact O-N 3.09Å; M190-V193 PolarHBondContact O-N 2.72Å; V193-V196 PolarHBondContact O-N 2.98Å; V193-A197 WeakPolarHBondContact O-CB 3.34Å; V193-A197 PolarHBondContact O-N 3.03Å
194V91.2Very high83.6Confident76 Ų76101.5 Ų101.546%0.46154%0.536SS..Hα-helixtrans-63.8-42177.5170.60000111.4M190 V191 A197 L198M190-V194 WeakPolarHBondContact O-CG2 3.31Å; M190-V194 PolarHBondContact O-N 3.46Å; V191-V194 PolarHBondContact O-N 3.33Å; V194-A197 PolarHBondContact O-N 2.88Å; V194-L198 HydrophobicContact CG1-CD1 4.26Å; V194-L198 WeakPolarHBondContact O-CG 3.5Å; V194-L198 PolarHBondContact O-N 3.42Å
195L93.3Very high84.7Confident107 Ų10797.9 Ų97.956%0.5652%0.521SS*.Hα-helixtrans-64.3-44.4179.3-160.6157.7000111V191 V192 A197 L198 V199V191-L195 WeakPolarHBondContact O-CB 3.14Å; V191-L195 PolarHBondContact O-N 3.01Å; V192-L195 PolarHBondContact O-N 3.49Å; L195-A197 VanDerWaalsContact C-N 3.35Å; L195-A197 PolarHBondContact O-N 3.33Å; L195-L198 PolarHBondContact O-N 2.81Å; L195-V199 HydrophobicContact CD2-CG2 4.11Å; L195-V199 WeakPolarHBondContact O-CG2 3.34Å; L195-V199 PolarHBondContact O-N 3.39Å
196V94Very high85.6Confident84 Ų8490.5 Ų90.551%0.50949%0.491SS..Hα-helixtrans-61.6-42.7174.8173.50000111.2V192 V193 L198 V199 V200V192-V196 WeakPolarHBondContact O-CG2 3.12Å; V192-V196 PolarHBondContact O-N 2.79Å; V193-V196 PolarHBondContact O-N 2.98Å; V196-L198 PolarHBondContact O-N 3.28Å; V196-V199 PolarHBondContact O-N 3.29Å; V196-V200 HydrophobicContact CG1-CG2 4.4Å; V196-V200 VanDerWaalsContact O-CG2 3.31Å; V196-V200 WeakPolarHBondContact O-CG2 3.33Å; V196-V200 PolarHBondContact O-N 3.05Å
197A91.8Very high86.3Confident47 Ų4788.8 Ų88.839%0.38849%0.493SS..Hα-helixtrans-62.6-40.6177.800000112.6V193 V194 L195 V200 L201V193-A197 WeakPolarHBondContact O-CB 3.34Å; V193-A197 PolarHBondContact O-N 3.03Å; V194-A197 PolarHBondContact O-N 2.88Å; L195-A197 VanDerWaalsContact C-N 3.35Å; L195-A197 PolarHBondContact O-N 3.33Å; A197-V200 PolarHBondContact O-N 2.92Å; A197-L201 WeakPolarHBondContact O-CB 3.39Å; A197-L201 WeakPolarHBondContact O-CG 3.31Å; A197-L201 PolarHBondContact O-N 3.46Å
198L92.8Very high86.4Confident110 Ų11088.9 Ų88.958%0.57650%0.501SS*.Hα-helixtrans-64.2-41175.3-74.7174.2000112.2V194 L195 V196 L201 Y202V194-L198 HydrophobicContact CG1-CD1 4.26Å; V194-L198 WeakPolarHBondContact O-CG 3.5Å; V194-L198 PolarHBondContact O-N 3.42Å; L195-L198 PolarHBondContact O-N 2.81Å; V196-L198 PolarHBondContact O-N 3.28Å; L198-L201 PolarHBondContact O-N 3.33Å; L198-Y202 WeakPolarHBondContact O-CB 3.44Å; L198-Y202 PolarHBondContact O-N 3.47Å
199V92.4Very high86.2Confident74 Ų7481.4 Ų81.445%0.44847%0.47SS..Hα-helixtrans-64-43.8176.1172.60000110.6L195 V196 Y202 I203L195-V199 HydrophobicContact CD2-CG2 4.11Å; L195-V199 WeakPolarHBondContact O-CG2 3.34Å; L195-V199 PolarHBondContact O-N 3.39Å; V196-V199 PolarHBondContact O-N 3.29Å; V199-Y202 PolarHBondContact O-N 2.89Å; V199-I203 HydrophobicContact CG1-CD1 3.95Å; V199-I203 VanDerWaalsContact O-CG1 3.28Å; V199-I203 WeakPolarHBondContact O-CG1 3.04Å; V199-I203 PolarHBondContact O-N 2.94Å
200V91.8Very high85.7Confident73 Ų7378.6 Ų78.644%0.44247%0.467SS..Hα-helixtrans-63.9-44.31771730000111.1V196 A197 Y202 I203 I204V196-V200 HydrophobicContact CG1-CG2 4.4Å; V196-V200 VanDerWaalsContact O-CG2 3.31Å; V196-V200 WeakPolarHBondContact O-CG2 3.33Å; V196-V200 PolarHBondContact O-N 3.05Å; A197-V200 PolarHBondContact O-N 2.92Å; V200-Y202 VanDerWaalsContact C-N 3.32Å; V200-Y202 PolarHBondContact O-N 3.47Å; V200-I203 PolarHBondContact O-N 3.43Å; V200-I204 HydrophobicContact CG1-CD1 3.84Å; V200-I204 HydrophobicContact CG1-CG1 4.44Å; V200-I204 VanDerWaalsContact O-CG1 3.31Å; V200-I204 WeakPolarHBondContact O-CG1 3.28Å; V200-I204 PolarHBondContact O-N 2.95Å
201L89.8Confident85.1Confident103 Ų10374.4 Ų74.454%0.53945%0.454SS..Hα-helixtrans-59.3-43.3174.6-81.8168.1000111.7A197 L198 I203 I204 V205A197-L201 WeakPolarHBondContact O-CB 3.39Å; A197-L201 WeakPolarHBondContact O-CG 3.31Å; A197-L201 PolarHBondContact O-N 3.46Å; L198-L201 PolarHBondContact O-N 3.33Å; L201-I203 VanDerWaalsContact C-N 3.34Å; L201-I203 PolarHBondContact O-N 3.3Å; L201-I204 PolarHBondContact O-N 3.29Å; L201-V205 VanDerWaalsContact O-CG2 3.31Å; L201-V205 WeakPolarHBondContact O-CG2 3.31Å; L201-V205 PolarHBondContact O-N 3.05Å
202Y87Confident83.8Confident99 Ų9977 Ų7739%0.38847%0.465SS..Hα-helixtrans-62.3-40.5176.4179.9-97.9000112.2L198 V199 V200 S206 L212 W214L198-Y202 WeakPolarHBondContact O-CB 3.44Å; L198-Y202 PolarHBondContact O-N 3.47Å; V199-Y202 PolarHBondContact O-N 2.89Å; V200-Y202 VanDerWaalsContact C-N 3.32Å; V200-Y202 PolarHBondContact O-N 3.47Å; Y202-S206 VanDerWaalsContact O-CB 3.31Å; Y202-S206 WeakPolarHBondContact O-CB 3.42Å; Y202-S206 PolarHBondContact O-N 3.21Å; Y202-S206 PolarHBondContact O-OG 3.21Å; Y202-L212 HydrophobicContact CE1-CD1 3.72Å; Y202-L212 VanDerWaalsContact OH-CD1 3.31Å; Y202-L212 WeakPolarHBondContact OH-CD1 3.31Å; Y202-L212 WeakPolarHBondContact OH-CG 3.16Å; Y202-W214 HydrophobicContact CD2-CZ2 4.12Å; Y202-W214 HydrophobicContact CE2-CZ2 4.01Å
203I87.6Confident82.6Confident97 Ų9777.7 Ų77.750%0.49747%0.474SS..Hα-helixtrans-65-43.1175.4-67.9167.7000110.9V199 V200 L201 S206 A207V199-I203 HydrophobicContact CG1-CD1 3.95Å; V199-I203 VanDerWaalsContact O-CG1 3.28Å; V199-I203 WeakPolarHBondContact O-CG1 3.04Å; V199-I203 PolarHBondContact O-N 2.94Å; V200-I203 PolarHBondContact O-N 3.43Å; L201-I203 VanDerWaalsContact C-N 3.34Å; L201-I203 PolarHBondContact O-N 3.3Å; I203-S206 WeakPolarHBondContact CA-OG 3.42Å; I203-S206 PolarHBondContact O-N 2.88Å; I203-S206 PolarHBondContact O-OG 2.78Å; I203-A207 VanDerWaalsContact O-CB 3.29Å; I203-A207 WeakPolarHBondContact O-CB 3.35Å; I203-A207 PolarHBondContact O-N 3.38Å
204I86.9Confident81.5Confident100 Ų10078.1 Ų78.151%0.51347%0.466SS..Hα-helixtrans-63.5-46.7178.5-67.5166.2000110.9V200 L201 A207 S208V200-I204 HydrophobicContact CG1-CD1 3.84Å; V200-I204 HydrophobicContact CG1-CG1 4.44Å; V200-I204 VanDerWaalsContact O-CG1 3.31Å; V200-I204 WeakPolarHBondContact O-CG1 3.28Å; V200-I204 PolarHBondContact O-N 2.95Å; L201-I204 PolarHBondContact O-N 3.29Å; I204-A207 PolarHBondContact O-N 2.88Å; I204-S208 PolarHBondContact O-N 2.89Å; I204-S208 PolarHBondContact O-OG 3.23Å
205V82.8Confident80.1Confident56 Ų5677.5 Ų77.534%0.33946%0.463SS..Hα-helixtrans-66.6-40.8179.3174.20000111.3L201 A207 S208 C209 W214L201-V205 VanDerWaalsContact O-CG2 3.31Å; L201-V205 WeakPolarHBondContact O-CG2 3.31Å; L201-V205 PolarHBondContact O-N 3.05Å; V205-A207 VanDerWaalsContact C-N 3.34Å; V205-A207 PolarHBondContact O-N 3.38Å; V205-S208 WeakPolarHBondContact CA-OG 3.31Å; V205-S208 PolarHBondContact O-N 3.11Å; V205-S208 PolarHBondContact O-OG 3.41Å; V205-S208 VanDerWaalsContact O-OG 3.11Å; V205-C209 WeakPolarHBondContact O-CB 3.29Å; V205-C209 PolarHBondContact O-N 2.95Å; V205-C209 PolarHBondContact O-SG 3.04Å; V205-C209 VanDerWaalsContact O-SG 3.35Å; V205-W214 HydrophobicContact CG1-CZ2 3.9Å
206S81.2Confident78.4Confident15 Ų1576.7 Ų76.711%0.10547%0.466CS..Hα-helixtrans-66.8-34.8175.3560000112.2Y202 I203 G210 G211Y202-S206 VanDerWaalsContact O-CB 3.31Å; Y202-S206 WeakPolarHBondContact O-CB 3.42Å; Y202-S206 PolarHBondContact O-N 3.21Å; Y202-S206 PolarHBondContact O-OG 3.21Å; I203-S206 WeakPolarHBondContact CA-OG 3.42Å; I203-S206 PolarHBondContact O-N 2.88Å; I203-S206 PolarHBondContact O-OG 2.78Å; S206-G210 PolarHBondContact O-N 3.5Å; S206-G211 WeakPolarHBondContact O-CA 3.5Å; S206-G211 PolarHBondContact O-N 3.31Å
207A79Confident77Confident80 Ų8076.5 Ų76.566%0.66147%0.468SS*.Hα-helixtrans-67.5-40.8173.800000112.5I203 I204 V205I203-A207 VanDerWaalsContact O-CB 3.29Å; I203-A207 WeakPolarHBondContact O-CB 3.35Å; I203-A207 PolarHBondContact O-N 3.38Å; I204-A207 PolarHBondContact O-N 2.88Å; V205-A207 VanDerWaalsContact C-N 3.34Å; V205-A207 PolarHBondContact O-N 3.38Å
208S77.6Confident75.5Confident92 Ų9279.5 Ų79.564%0.64348%0.481SS*.Hα-helixtrans-76-30.6178.662.30000113.5I204 V205I204-S208 PolarHBondContact O-N 2.89Å; I204-S208 PolarHBondContact O-OG 3.23Å; V205-S208 WeakPolarHBondContact CA-OG 3.31Å; V205-S208 PolarHBondContact O-N 3.11Å; V205-S208 PolarHBondContact O-OG 3.41Å; V205-S208 VanDerWaalsContact O-OG 3.11Å
209C69.9Low73.7Confident7 Ų783 Ų835%0.04749%0.491CS..THydrogen-bonded Turntrans-96.413.5-176.1-63.70000114.7V205 P215 S216 C217V205-C209 WeakPolarHBondContact O-CB 3.29Å; V205-C209 PolarHBondContact O-N 2.95Å; V205-C209 PolarHBondContact O-SG 3.04Å; V205-C209 VanDerWaalsContact O-SG 3.35Å; C209-P215 WeakPolarHBondContact O-CD 3.38Å; C209-S216 PolarHBondContact O-N 3.36Å; C209-C217 HydrophobicContact CB-CB 3.7Å; C209-C217 WeakPolarHBondContact CB-SG 3.04Å; C209-C217 WeakPolarHBondContact SG-CB 3.05Å; C209-C217 CovalentContact SG-SG 2.03Å; C209-C217 PolarHBondContact SG-SG 2.03Å
210G65.9Low71.6Confident53 Ų5392.8 Ų92.855%0.54653%0.528SS..THydrogen-bonded Turntrans87.626.317000000115.9S206S206-G210 PolarHBondContact O-N 3.5Å
211G67.1Low70.6Confident30 Ų3093.8 Ų93.831%0.30953%0.532SS..SBendtrans113.1-178.7174.600000114.4S206 S213 W214S206-G211 WeakPolarHBondContact O-CA 3.5Å; S206-G211 PolarHBondContact O-N 3.31Å; G211-S213 PolarHBondContact O-N 3.35Å; G211-W214 PolarHBondContact O-N 2.94Å
212L61.1Low69.6Low137 Ų13793.3 Ų93.372%0.71753%0.532SS*.THydrogen-bonded Turntrans-57.9-22.1-173.3-154.381.8000114Y202Y202-L212 HydrophobicContact CE1-CD1 3.72Å; Y202-L212 VanDerWaalsContact OH-CD1 3.31Å; Y202-L212 WeakPolarHBondContact OH-CD1 3.31Å; Y202-L212 WeakPolarHBondContact OH-CG 3.16Å
213S64Low68.6Low101 Ų10193 Ų9371%0.70654%0.54SS*.THydrogen-bonded Turntrans-94.28.3-175.860.40000114.8G211 P215G211-S213 PolarHBondContact O-N 3.35Å; S213-P215 VanDerWaalsContact C-N 3.34Å; S213-P215 WeakPolarHBondContact O-CD 3.48Å; S213-P215 VanDerWaalsContact O-N 3.12Å
214W63.9Low67.5Low100 Ų10092.8 Ų92.838%0.37954%0.543SS..  trans38.548.3179.8-67-7000116.1Y202 V205 G211 S216 V218Y202-W214 HydrophobicContact CD2-CZ2 4.12Å; Y202-W214 HydrophobicContact CE2-CZ2 4.01Å; V205-W214 HydrophobicContact CG1-CZ2 3.9Å; G211-W214 PolarHBondContact O-N 2.94Å; W214-S216 VanDerWaalsContact C-N 3.33Å; W214-S216 PolarHBondContact O-N 3.47Å; W214-V218 HydrophobicContact CB-CG2 4.13Å; W214-V218 HydrophobicContact CE3-CG2 4.41Å
215P61.4Low66.3Low63 Ų6392.3 Ų92.341%0.40954%0.544SS..THydrogen-bonded Turntrans-70.5-26.3-173.228.2-34000113.8C209 S213C209-P215 WeakPolarHBondContact O-CD 3.38Å; S213-P215 VanDerWaalsContact C-N 3.34Å; S213-P215 WeakPolarHBondContact O-CD 3.48Å; S213-P215 VanDerWaalsContact O-N 3.12Å
216S59.1Low65.2Low89 Ų8994.7 Ų94.762%0.62256%0.558SS**THydrogen-bonded Turntrans-96.7-15.6-175.1-57.40000114.8C209 W214C209-S216 PolarHBondContact O-N 3.36Å; W214-S216 VanDerWaalsContact C-N 3.33Å; W214-S216 PolarHBondContact O-N 3.47Å
217C63.3Low64.1Low81 Ų81100.4 Ų100.455%0.54759%0.59SS.*THydrogen-bonded Turntrans-103.7-7.3-178.9-71.60000113.8C209C209-C217 HydrophobicContact CB-CB 3.7Å; C209-C217 WeakPolarHBondContact CB-SG 3.04Å; C209-C217 WeakPolarHBondContact SG-CB 3.05Å; C209-C217 CovalentContact SG-SG 2.03Å; C209-C217 PolarHBondContact SG-SG 2.03Å
218V61.7Low62.9Low109 Ų109102 Ų10266%0.66159%0.585SS**SBendtrans-109.8-3.4-179174.50000112.7W214W214-V218 HydrophobicContact CB-CG2 4.13Å; W214-V218 HydrophobicContact CE3-CG2 4.41Å
219K53.3Low61.7Low183 Ų183102.8 Ų102.880%0.79658%0.58SS**  trans-93.4110.8173.4-83.1-174.4176.2-178.90111.5
220K49.5Very low60.9Low281 Ų281111.5 Ų111.5100%1.22263%0.629SS**  trans0.80158.5-118.7-178.8-178.1-1780117.5

Retrieved 220 of 220 residues in 43.3 ms (Link to these results)

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