A0A077Z5H9_TRITR Loading...

DNA-directed RNA polymerases I, II, and III subunit RPABC3

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Common component of RNA polymerases I, II and III which synthesize ribosomal RNA precursors, mRNA precursors and many functional non-coding RNAs, and small RNAs, such as 5S rRNA and tRNAs, respectively.

AlphaFold DB , UniProt , Accession A0A077Z5H9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 156 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
1M50.6Low81.5Confident209 Ų20947.1 Ų47.1100%1.0326%0.262SS*.  072.20-89.690.3178.800109.9I4M1-I4 HydrophobicContact CB-CD1 4.5Å; M1-I4 HydrophobicContact CG-CD1 4Å
2A60.8Low82.5Confident36 Ų3643.3 Ų43.330%0.29824%0.241SC..  trans-84.8144.217000000109.7I4 R83A2-I4 PolarHBondContact O-N 2.89Å; A2-R83 PolarHBondContact O-NH1 3.26Å; A2-R83 VanDerWaalsContact O-NH1 3.15Å; A2-R83 PolarHBondContact O-NH2 3.45Å
3G74.7Confident83.2Confident25 Ų2549 Ų4926%0.25826%0.262SS..SBendtrans83.1-6.7164.900000118.3I5 S61 S62G3-I5 PolarHBondContact O-N 2.6Å; G3-S61 CarbonylContact O-C 3.52Å; G3-S61 VanDerWaalsContact O-CA 3.22Å; G3-S61 WeakPolarHBondContact O-CA 3.32Å; G3-S61 PolarHBondContact O-OG 3.29Å; G3-S61 VanDerWaalsContact O-OG 3.04Å; G3-S62 WeakPolarHBondContact CA-OG 2.88Å; G3-S62 PolarHBondContact O-N 3.02Å; G3-S62 PolarHBondContact O-OG 3.39Å
4I82Confident83.8Confident59 Ų5953.3 Ų53.330%0.30328%0.279SS..EExtended strand (participates in β ladder)trans-73.6120.7177-58.3171.4000108.5M1 A2 D7 M59M1-I4 HydrophobicContact CB-CD1 4.5Å; M1-I4 HydrophobicContact CG-CD1 4Å; A2-I4 PolarHBondContact O-N 2.89Å; I4-D7 HydrophobicContact CG2-CB 4.3Å; I4-M59 HydrophobicContact CD1-CE 4.17Å; I4-M59 HydrophobicContact CD1-SD 4Å; I4-M59 HydrophobicContact CG1-SD 4.2Å; I4-M59 HydrophobicContact CG2-CG 4.07Å; I4-M59 HydrophobicContact CG2-SD 4.44Å
5I85.8Confident84.2Confident36 Ų3652.8 Ų52.819%0.18528%0.276CS..EExtended strand (participates in β ladder)trans-94.4-43.2-179.9-62.3166.8000110G3 L60 F141G3-I5 PolarHBondContact O-N 2.6Å; I5-L60 PolarHBondContact N-O 2.97Å; I5-F141 HydrophobicContact CB-CZ 4.37Å; I5-F141 HydrophobicContact CG2-CD1 4.15Å; I5-F141 HydrophobicContact CG2-CD2 3.65Å; I5-F141 HydrophobicContact CG2-CE1 3.9Å; I5-F141 HydrophobicContact CG2-CE2 3.39Å; I5-F141 HydrophobicContact CG2-CG 4.04Å; I5-F141 HydrophobicContact CG2-CZ 3.51Å
6F86.9Confident84.4Confident12 Ų1251.3 Ų51.35%0.05327%0.269CS..EExtended strand (participates in β ladder)trans-146.5142.8-173.7-167.7-91000110.2D8 F10 V37 M59 L60 L131 M138 F141F6-D8 HydrophobicContact CD1-CB 4.44Å; F6-D8 HydrophobicContact CE1-CB 3.54Å; F6-D8 HydrophobicContact CZ-CB 3.85Å; F6-F10 AromaticContact CE1-CE2 3.71Å; F6-F10 HydrophobicContact CE1-CE2 3.71Å; F6-F10 AromaticContact CE1-CZ 3.69Å; F6-F10 HydrophobicContact CE1-CZ 3.69Å; F6-F10 HydrophobicContact CZ-CE2 4.48Å; F6-F10 HydrophobicContact CZ-CZ 4.07Å; F6-V37 HydrophobicContact CZ-CG1 4.39Å; F6-V37 HydrophobicContact CZ-CG2 4.46Å; F6-M59 CarbonylContact O-C 3.59Å; F6-M59 VanDerWaalsContact O-CA 3.31Å; F6-M59 WeakPolarHBondContact O-CA 2.89Å; F6-L60 HydrophobicContact CB-CB 3.98Å; F6-L60 HydrophobicContact CB-CD1 4.11Å; F6-L60 HydrophobicContact CB-CG 4.32Å; F6-L60 HydrophobicContact CD1-CD1 4.44Å; F6-L60 PolarHBondContact N-O 3.04Å; F6-L60 VanDerWaalsContact N-O 3.14Å; F6-L60 PolarHBondContact O-N 3.25Å; F6-L131 HydrophobicContact CD2-CD2 4.36Å; F6-L131 HydrophobicContact CE2-CD2 4.42Å; F6-L131 HydrophobicContact CG-CD2 4.44Å; F6-M138 HydrophobicContact CD2-SD 4.4Å; F6-M138 HydrophobicContact CE2-CE 4.18Å; F6-M138 HydrophobicContact CE2-SD 4.34Å; F6-F141 HydrophobicContact CB-CE2 4.29Å; F6-F141 HydrophobicContact CB-CZ 4.09Å
7D88.7Confident84.2Confident57 Ų5751.7 Ų51.731%0.30528%0.275SS..EExtended strand (participates in β ladder)trans-154.5111.5178.1-178.411.5000108.9I4 R57 I58 M59I4-D7 HydrophobicContact CG2-CB 4.3Å; D7-R57 IonicContact OD1-CZ 2.93Å; D7-R57 IonicContact OD1-NE 2.78Å; D7-R57 PolarHBondContact OD1-NE 2.79Å; D7-R57 IonicContact OD1-NH2 2.72Å; D7-R57 PolarHBondContact OD1-NH2 2.98Å; D7-R57 IonicContact OD2-CZ 3.32Å; D7-R57 IonicContact OD2-NE 3.82Å; D7-R57 IonicContact OD2-NH2 2.79Å; D7-R57 PolarHBondContact OD2-NH2 3.24Å; D7-I58 WeakPolarHBondContact CA-O 3.15Å; D7-M59 HydrophobicContact CB-CE 4.2Å; D7-M59 HydrophobicContact CB-CG 4.43Å; D7-M59 VanDerWaalsContact OD2-CE 3.23Å; D7-M59 WeakPolarHBondContact OD2-CE 3.27Å
8D90Very high84.1Confident8 Ų855.3 Ų55.34%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-153167.5179.7-16218000112.9F6 F10 S32 S34 F35 R57 I58F6-D8 HydrophobicContact CD1-CB 4.44Å; F6-D8 HydrophobicContact CE1-CB 3.54Å; F6-D8 HydrophobicContact CZ-CB 3.85Å; D8-F10 HydrophobicContact CB-CE2 4.05Å; D8-S32 WeakPolarHBondContact OD2-CB 3.37Å; D8-S34 PolarHBondContact OD1-OG 3.15Å; D8-F35 HydrophobicContact CB-CD2 4.34Å; D8-F35 WeakPolarHBondContact OD2-CD2 3.41Å; D8-R57 WeakPolarHBondContact O-CA 3.4Å; D8-I58 PolarHBondContact N-O 2.58Å; D8-I58 PolarHBondContact O-N 3.29Å
9L92.3Very high84Confident57 Ų5754.2 Ų54.230%0.29830%0.298SS..EExtended strand (participates in β ladder)trans-97.3124.8174.4-65.7168.6000110.3S32 E33 F56 R57 V154L9-S32 WeakPolarHBondContact O-CA 3.38Å; L9-E33 HydrophobicContact CB-CB 4.49Å; L9-E33 PolarHBondContact O-N 2.54Å; L9-F56 CarbonylContact C-O 3.56Å; L9-F56 WeakPolarHBondContact CA-O 3.39Å; L9-R57 HydrophobicContact CD2-CB 3.79Å; L9-R57 HydrophobicContact CD2-CG 4.14Å; L9-V154 HydrophobicContact CD2-CG2 3.69Å
10F92.7Very high83.8Confident2 Ų257.7 Ų57.71%0.00931%0.31CS..EExtended strand (participates in β ladder)trans-115.2143.6177.2-70.9-87.5000111.2F6 D8 C30 D31 V37 L39 K55 F56 I58 L131F6-F10 AromaticContact CE1-CE2 3.71Å; F6-F10 HydrophobicContact CE1-CE2 3.71Å; F6-F10 AromaticContact CE1-CZ 3.69Å; F6-F10 HydrophobicContact CE1-CZ 3.69Å; F6-F10 HydrophobicContact CZ-CE2 4.48Å; F6-F10 HydrophobicContact CZ-CZ 4.07Å; D8-F10 HydrophobicContact CB-CE2 4.05Å; F10-C30 HydrophobicContact CB-CB 3.88Å; F10-C30 HydrophobicContact CD1-CB 4.17Å; F10-C30 HydrophobicContact CG-CB 4.38Å; F10-D31 CarbonylContact C-O 3.56Å; F10-D31 WeakPolarHBondContact CA-O 3.29Å; F10-V37 HydrophobicContact CE1-CB 4.41Å; F10-V37 HydrophobicContact CE1-CG1 4.13Å; F10-V37 HydrophobicContact CZ-CG1 4.19Å; F10-L39 HydrophobicContact CD1-CB 3.8Å; F10-L39 HydrophobicContact CD1-CD2 4.15Å; F10-L39 HydrophobicContact CD2-CD2 4.16Å; F10-L39 HydrophobicContact CE1-CB 3.59Å; F10-L39 HydrophobicContact CE1-CD2 4.25Å; F10-L39 HydrophobicContact CE2-CD2 4.22Å; F10-L39 HydrophobicContact CG-CD2 4.12Å; F10-L39 HydrophobicContact CZ-CB 4.19Å; F10-L39 HydrophobicContact CZ-CD2 4.28Å; F10-K55 CarbonylContact O-C 3.5Å; F10-K55 WeakPolarHBondContact O-CA 3.27Å; F10-F56 PolarHBondContact N-O 2.78Å; F10-F56 PolarHBondContact O-N 2.87Å; F10-I58 HydrophobicContact CD2-CB 3.95Å; F10-I58 HydrophobicContact CD2-CD1 3.95Å; F10-I58 HydrophobicContact CD2-CG1 4.19Å; F10-I58 HydrophobicContact CE2-CB 4.12Å; F10-I58 HydrophobicContact CG-CD1 4.44Å; F10-L131 HydrophobicContact CE1-CD1 4.39Å; F10-L131 HydrophobicContact CZ-CD1 3.89Å
11V92.5Very high83.7Confident17 Ų1761.7 Ų61.710%0.10333%0.326CS..EExtended strand (participates in β ladder)trans-110.4128.2174.1-171.90000108.7K13 C30 D31 K55V11-K13 PolarHBondContact O-N 3.41Å; V11-C30 CarbonylContact O-C 3.48Å; V11-C30 WeakPolarHBondContact O-CA 3.5Å; V11-D31 PolarHBondContact N-O 2.86Å; V11-D31 PolarHBondContact O-N 3.23Å; V11-K55 HydrophobicContact CG2-CD 4.41Å; V11-K55 HydrophobicContact CG2-CG 4.11Å
12V92.8Very high85.3Confident1 Ų158.3 Ų58.31%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-73.2112.7177.1-179.10000109.6I15 L28 V50 D53 E54 F56V12-I15 HydrophobicContact CG1-CD1 4.14Å; V12-I15 HydrophobicContact CG1-CG1 3.68Å; V12-L28 HydrophobicContact CG1-CD2 4.49Å; V12-V50 HydrophobicContact CG1-CG1 4.48Å; V12-V50 HydrophobicContact CG2-CG1 3.83Å; V12-D53 WeakPolarHBondContact O-CA 3.45Å; V12-D53 PolarHBondContact O-N 2.96Å; V12-E54 PolarHBondContact N-O 2.91Å; V12-F56 HydrophobicContact CG2-CD2 3.66Å; V12-F56 HydrophobicContact CG2-CE2 3.45Å; V12-F56 VanDerWaalsContact CG2-CE2 3.45Å
13K92Very high86.3Confident118 Ų11863.5 Ų63.551%0.51333%0.329SS..EExtended strand (participates in β ladder)trans-84.3-48.6176.6-66.4-63.3-173.9-177.90111.7V11 F29 D31V11-K13 PolarHBondContact O-N 3.41Å; K13-F29 PolarHBondContact N-O 2.9Å; K13-D31 VanDerWaalsContact CE-OD2 3.29Å; K13-D31 WeakPolarHBondContact CE-OD2 3.43Å; K13-D31 HydrophobicContact CG-CB 4.21Å; K13-D31 WeakPolarHBondContact CG-OD2 3.16Å
14E91.8Very high87Confident109 Ų10970 Ų7051%0.50935%0.345SS..EExtended strand (participates in β ladder)trans-141.6151.4-175.2-65.6-174-174.100110.7F29E14-F29 HydrophobicContact CB-CB 4.17Å; E14-F29 PolarHBondContact N-O 2.89Å; E14-F29 PolarHBondContact O-N 2.8Å
15I89Confident87.4Confident46 Ų4668.8 Ų68.824%0.23634%0.341CS..EExtended strand (participates in β ladder)trans-126.3122.6175.7-58179.2000106.5V12 L28 V50 L52V12-I15 HydrophobicContact CG1-CD1 4.14Å; V12-I15 HydrophobicContact CG1-CG1 3.68Å; I15-L28 HydrophobicContact CB-CD2 4.36Å; I15-L28 HydrophobicContact CD1-CD2 4.1Å; I15-L28 HydrophobicContact CG1-CD2 3.73Å; I15-L28 HydrophobicContact CG2-CD2 4.04Å; I15-V50 HydrophobicContact CD1-CG1 4.32Å; I15-L52 HydrophobicContact CB-CD2 4.25Å; I15-L52 HydrophobicContact CD1-CD2 4.18Å; I15-L52 HydrophobicContact CD1-CG 4.06Å; I15-L52 HydrophobicContact CG1-CD2 3.76Å; I15-L52 HydrophobicContact CG1-CG 4.19Å
16D88.1Confident87.6Confident29 Ų2967.4 Ų67.416%0.15534%0.335CS..  trans53.462.9178.3-63.7-40000114.4D18 G19 S26 R27D16-D18 PolarHBondContact O-N 2.86Å; D16-G19 WeakPolarHBondContact O-CA 3.38Å; D16-G19 PolarHBondContact O-N 3.43Å; D16-S26 VanDerWaalsContact OD1-CA 3.29Å; D16-S26 WeakPolarHBondContact OD1-CA 3.38Å; D16-S26 WeakPolarHBondContact OD2-CB 3.32Å; D16-S26 PolarHBondContact OD2-OG 2.87Å; D16-R27 PolarHBondContact N-O 2.82Å; D16-R27 PolarHBondContact OD1-N 3.1Å
17P81.1Confident87.9Confident58 Ų5870.9 Ų70.938%0.37735%0.347SS..THydrogen-bonded Turntrans-62.7-29.9179.725.7-34000113.4G19 F29P17-G19 PolarHBondContact O-N 3.38Å; P17-F29 VanDerWaalsContact CD-CD2 3.5Å; P17-F29 HydrophobicContact CG-CD2 3.58Å; P17-F29 HydrophobicContact CG-CE1 4.42Å; P17-F29 HydrophobicContact CG-CE2 3.14Å; P17-F29 HydrophobicContact CG-CG 4.4Å; P17-F29 HydrophobicContact CG-CZ 3.62Å
18D82.9Confident88.1Confident117 Ų11768.3 Ų68.363%0.62633%0.333SS*.THydrogen-bonded Turntrans-80.50.4174.6-62.1-44.1000112.8D16 H21D16-D18 PolarHBondContact O-N 2.86Å; D18-H21 PolarHBondContact O-NE2 2.91Å
19G81.2Confident88.3Confident34 Ų3470.7 Ų70.735%0.35134%0.344SS..  trans91.2158.3-172.400000113D16 P17 H21D16-G19 WeakPolarHBondContact O-CA 3.38Å; D16-G19 PolarHBondContact O-N 3.43Å; P17-G19 PolarHBondContact O-N 3.38Å; G19-H21 PolarHBondContact O-CD2 2.61Å; G19-H21 PolarHBondContact O-N 3.27Å
20K80.8Confident88.3Confident124 Ų12468.3 Ų68.354%0.53933%0.331SS..  trans-74.595.1-178.5-172.1173.2-179.6178.40110.5F22 D23K20-F22 WeakPolarHBondContact CE-O 3.29Å; K20-F22 VanDerWaalsContact CG-O 3.27Å; K20-F22 WeakPolarHBondContact CG-O 3.27Å; K20-D23 VanDerWaalsContact CE-O 3.31Å; K20-D23 WeakPolarHBondContact CE-O 3.47Å; K20-D23 PolarHBondContact NZ-O 2.9Å
21H81.5Confident88.3Confident142 Ų14271.5 Ų71.566%0.65735%0.349SS*.  trans-78.5-25.4176.5-70.5-64.7000113.5D18 G19D18-H21 PolarHBondContact O-NE2 2.91Å; G19-H21 PolarHBondContact O-CD2 2.61Å; G19-H21 PolarHBondContact O-N 3.27Å
22F83.6Confident88.2Confident137 Ų13771.5 Ų71.560%0.60135%0.349SS*.  trans-126.3138-174.6-59-77000111K20 R24 V25K20-F22 WeakPolarHBondContact CE-O 3.29Å; K20-F22 VanDerWaalsContact CG-O 3.27Å; K20-F22 WeakPolarHBondContact CG-O 3.27Å; F22-R24 VanDerWaalsContact C-N 3.31Å; F22-R24 PolarHBondContact O-N 2.8Å; F22-V25 HydrophobicContact CB-CB 4.03Å
23D83.1Confident87.9Confident146 Ų14676.5 Ų76.578%0.78137%0.372SS*.SBendtrans-66.1-35.1-179-75.5-27.2000113.2K20K20-D23 VanDerWaalsContact CE-O 3.31Å; K20-D23 WeakPolarHBondContact CE-O 3.47Å; K20-D23 PolarHBondContact NZ-O 2.9Å
24R88.9Confident87.3Confident160 Ų16074.5 Ų74.560%0.60437%0.373SS*.SBendtrans-109.8-10.2-169.3-59.5178.1-177.6-179.11114.2F22 N44 T45F22-R24 VanDerWaalsContact C-N 3.31Å; F22-R24 PolarHBondContact O-N 2.8Å; R24-N44 CarbonylContact O-C 3.59Å; R24-N44 WeakPolarHBondContact O-CA 3.36Å; R24-N44 PolarHBondContact O-OD1 2.96Å; R24-N44 VanDerWaalsContact O-OD1 3.05Å; R24-T45 PolarHBondContact O-N 2.76Å; R24-T45 PolarHBondContact O-OG1 2.85Å
25V89.5Confident86.4Confident35 Ų3572.5 Ų72.521%0.21236%0.363CS..EExtended strand (participates in β ladder)trans-124.2131.6-177.8-179.30000107.8F22 D42 V43 L127F22-V25 HydrophobicContact CB-CB 4.03Å; V25-D42 HydrophobicContact CG1-CB 4.03Å; V25-V43 VanDerWaalsContact CA-O 3.32Å; V25-V43 WeakPolarHBondContact CA-O 3.35Å; V25-L127 HydrophobicContact CB-CD2 4.46Å; V25-L127 HydrophobicContact CG1-CD2 3.6Å; V25-L127 HydrophobicContact CG2-CD2 3.94Å
26S91Very high86.2Confident7 Ų779.4 Ų79.45%0.04939%0.392CS..EExtended strand (participates in β ladder)trans-123.4144.5169.6-69.60000109.6D16 V43 T45D16-S26 VanDerWaalsContact OD1-CA 3.29Å; D16-S26 WeakPolarHBondContact OD1-CA 3.38Å; D16-S26 WeakPolarHBondContact OD2-CB 3.32Å; D16-S26 PolarHBondContact OD2-OG 2.87Å; S26-V43 PolarHBondContact N-O 3Å; S26-V43 VanDerWaalsContact N-O 3.07Å; S26-V43 PolarHBondContact O-N 2.88Å; S26-T45 VanDerWaalsContact CB-CG2 3.49Å
27R92.6Very high86.3Confident85 Ų8578.2 Ų78.232%0.32139%0.385SS..EExtended strand (participates in β ladder)trans-89.6111.8173.2-177.4166.3-71.1167.70.7109D16 F29 I40 D42D16-R27 PolarHBondContact N-O 2.82Å; D16-R27 PolarHBondContact OD1-N 3.1Å; R27-F29 HydrophobicContact CG-CD2 4.18Å; R27-F29 HydrophobicContact CG-CE2 3.66Å; R27-I40 HydrophobicContact CG-CG2 3.6Å; R27-D42 WeakPolarHBondContact CB-OD1 3.34Å; R27-D42 WeakPolarHBondContact CG-OD1 3.48Å; R27-D42 IonicContact CZ-OD1 3.54Å; R27-D42 IonicContact NE-OD1 3.58Å; R27-D42 PolarHBondContact NE-OD1 2.83Å; R27-D42 IonicContact NE-OD2 2.79Å; R27-D42 IonicContact NH2-OD1 3.38Å; R27-D42 PolarHBondContact NH2-OD1 2.85Å; R27-D42 IonicContact NH2-OD2 3.17Å; R27-D42 PolarHBondContact NH2-OD2 3.04Å; R27-D42 VanDerWaalsContact NH2-OD2 3.17Å
28L92.7Very high86.8Confident2 Ų277 Ų771%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-87.2136.2175.5-53.4-179.5000109.7V12 I15 I40 L41 V43 V50V12-L28 HydrophobicContact CG1-CD2 4.49Å; I15-L28 HydrophobicContact CB-CD2 4.36Å; I15-L28 HydrophobicContact CD1-CD2 4.1Å; I15-L28 HydrophobicContact CG1-CD2 3.73Å; I15-L28 HydrophobicContact CG2-CD2 4.04Å; L28-I40 WeakPolarHBondContact O-CA 3.24Å; L28-L41 PolarHBondContact N-O 3.04Å; L28-L41 PolarHBondContact O-N 2.79Å; L28-V43 HydrophobicContact CD1-CB 4.34Å; L28-V43 HydrophobicContact CD1-CG1 3.8Å; L28-V43 HydrophobicContact CD1-CG2 3.57Å; L28-V43 HydrophobicContact CD2-CG2 4.26Å; L28-V43 HydrophobicContact CG-CG1 4.42Å; L28-V43 HydrophobicContact CG-CG2 3.77Å; L28-V50 HydrophobicContact CD1-CB 4.24Å; L28-V50 HydrophobicContact CD1-CG1 3.91Å; L28-V50 HydrophobicContact CD1-CG2 4.08Å; L28-V50 HydrophobicContact CD2-CB 4.21Å; L28-V50 HydrophobicContact CD2-CG1 3.87Å
29F93.8Very high87.3Confident59 Ų5971.5 Ų71.526%0.25935%0.348SS..EExtended strand (participates in β ladder)trans-108.8113.5166.7-77.9-107.4000107.6K13 E14 P17 R27 I40K13-F29 PolarHBondContact N-O 2.9Å; E14-F29 HydrophobicContact CB-CB 4.17Å; E14-F29 PolarHBondContact N-O 2.89Å; E14-F29 PolarHBondContact O-N 2.8Å; P17-F29 VanDerWaalsContact CD-CD2 3.5Å; P17-F29 HydrophobicContact CG-CD2 3.58Å; P17-F29 HydrophobicContact CG-CE1 4.42Å; P17-F29 HydrophobicContact CG-CE2 3.14Å; P17-F29 HydrophobicContact CG-CG 4.4Å; P17-F29 HydrophobicContact CG-CZ 3.62Å; R27-F29 HydrophobicContact CG-CD2 4.18Å; R27-F29 HydrophobicContact CG-CE2 3.66Å; F29-I40 HydrophobicContact CD1-CD1 4.13Å; F29-I40 HydrophobicContact CD1-CG1 3.87Å; F29-I40 HydrophobicContact CE1-CD1 3.48Å; F29-I40 VanDerWaalsContact CE1-CD1 3.48Å; F29-I40 HydrophobicContact CE1-CG1 3.72Å; F29-I40 HydrophobicContact CE2-CG2 4.2Å; F29-I40 HydrophobicContact CG-CG1 4.49Å; F29-I40 HydrophobicContact CZ-CD1 3.9Å; F29-I40 HydrophobicContact CZ-CG1 4.21Å; F29-I40 HydrophobicContact CZ-CG2 4.18Å
30C93.3Very high87.9Confident6 Ų670.9 Ų70.94%0.04134%0.337CS..EExtended strand (participates in β ladder)trans-122.9143.2-176.5-44.50000110.5F10 V11 L39F10-C30 HydrophobicContact CB-CB 3.88Å; F10-C30 HydrophobicContact CD1-CB 4.17Å; F10-C30 HydrophobicContact CG-CB 4.38Å; V11-C30 CarbonylContact O-C 3.48Å; V11-C30 WeakPolarHBondContact O-CA 3.5Å; C30-L39 HydrophobicContact CB-CB 4.29Å; C30-L39 PolarHBondContact N-O 2.71Å; C30-L39 PolarHBondContact O-N 2.75Å
31D92.6Very high88.5Confident70 Ų7065 Ų6537%0.37431%0.312SS..EExtended strand (participates in β ladder)trans-113.5140171.2-72.4-28.1000109.2F10 V11 K13F10-D31 CarbonylContact C-O 3.56Å; F10-D31 WeakPolarHBondContact CA-O 3.29Å; V11-D31 PolarHBondContact N-O 2.86Å; V11-D31 PolarHBondContact O-N 3.23Å; K13-D31 VanDerWaalsContact CE-OD2 3.29Å; K13-D31 WeakPolarHBondContact CE-OD2 3.43Å; K13-D31 HydrophobicContact CG-CB 4.21Å; K13-D31 WeakPolarHBondContact CG-OD2 3.16Å
32S90.3Very high89.1Confident16 Ų1658.9 Ų58.911%0.11228%0.284CS..EExtended strand (participates in β ladder)trans-68.4146.8173.448.60000111.8D8 L9 F35 V37D8-S32 WeakPolarHBondContact OD2-CB 3.37Å; L9-S32 WeakPolarHBondContact O-CA 3.38Å; S32-F35 PolarHBondContact OG-O 3.15Å; S32-V37 PolarHBondContact N-O 3.17Å; S32-V37 WeakPolarHBondContact OG-CA 3.35Å; S32-V37 VanDerWaalsContact OG-CB 3.31Å; S32-V37 WeakPolarHBondContact OG-CB 3.36Å; S32-V37 PolarHBondContact OG-N 3.39Å; S32-V37 PolarHBondContact OG-O 3.38Å
33E86.2Confident89.4Confident106 Ų10652.4 Ų52.450%0.49526%0.255SS..SBendtrans-80.5-38.5176.3-174.5167.9-172.100111.8L9 K55L9-E33 HydrophobicContact CB-CB 4.49Å; L9-E33 PolarHBondContact O-N 2.54Å; E33-K55 IonicContact OE1-NZ 2.67Å; E33-K55 PolarHBondContact OE1-NZ 3.28Å; E33-K55 IonicContact OE2-NZ 3.95Å; E33-K55 PolarHBondContact OE2-NZ 3.24Å
34S78.8Confident89.8Confident76 Ų7647.3 Ų47.353%0.53123%0.228SC..SBendtrans-91.5-40.8-172.5-47.60000112.6D8D8-S34 PolarHBondContact OD1-OG 3.15Å
35F74.5Confident89.7Confident68 Ų6841.1 Ų41.130%0.29821%0.208SC..SBendtrans-108.4167-175.5-55.5-62.1000110.3D8 S32 V37 Y137D8-F35 HydrophobicContact CB-CD2 4.34Å; D8-F35 WeakPolarHBondContact OD2-CD2 3.41Å; S32-F35 PolarHBondContact OG-O 3.15Å; F35-V37 HydrophobicContact CB-CB 4.46Å; F35-V37 HydrophobicContact CB-CG2 3.64Å; F35-V37 PolarHBondContact O-N 2.99Å; F35-Y137 HydrophobicContact CB-CE2 4.46Å; F35-Y137 HydrophobicContact CD1-CD1 4.11Å; F35-Y137 HydrophobicContact CD1-CD2 4.3Å; F35-Y137 AromaticContact CD1-CE1 3.48Å; F35-Y137 HydrophobicContact CD1-CE1 3.48Å; F35-Y137 VanDerWaalsContact CD1-CE1 3.48Å; F35-Y137 AromaticContact CD1-CE2 3.7Å; F35-Y137 HydrophobicContact CD1-CE2 3.7Å; F35-Y137 HydrophobicContact CD1-CG 4.48Å; F35-Y137 AromaticContact CD1-CZ 3.24Å; F35-Y137 WeakPolarHBondContact CD1-OH 3.34Å; F35-Y137 HydrophobicContact CE1-CD1 4.05Å; F35-Y137 AromaticContact CE1-CE1 3.27Å; F35-Y137 HydrophobicContact CE1-CE1 3.27Å; F35-Y137 HydrophobicContact CE1-CE2 4.35Å; F35-Y137 AromaticContact CE1-CZ 3.45Å; F35-Y137 VanDerWaalsContact CE1-CZ 3.45Å; F35-Y137 WeakPolarHBondContact CE1-OH 3.28Å; F35-Y137 HydrophobicContact CG-CD1 4.48Å; F35-Y137 HydrophobicContact CG-CD2 4.48Å; F35-Y137 HydrophobicContact CG-CE1 4.27Å; F35-Y137 HydrophobicContact CG-CE2 4.27Å; F35-Y137 HydrophobicContact CZ-CD1 4.38Å; F35-Y137 AromaticContact CZ-CE1 3.94Å; F35-Y137 HydrophobicContact CZ-CE1 3.94Å
36K83.7Confident89.5Confident191 Ų19145.4 Ų45.483%0.8323%0.226SC*.SBendtrans-9052171.7-69.7-178.8-179.3173.10110
37V89.7Confident89.3Confident3 Ų350.9 Ų50.92%0.01825%0.254CS..  trans-104.8128.2-176.7-177.70000109F6 F10 S32 F35 L131 Q132 M138F6-V37 HydrophobicContact CZ-CG1 4.39Å; F6-V37 HydrophobicContact CZ-CG2 4.46Å; F10-V37 HydrophobicContact CE1-CB 4.41Å; F10-V37 HydrophobicContact CE1-CG1 4.13Å; F10-V37 HydrophobicContact CZ-CG1 4.19Å; S32-V37 PolarHBondContact N-O 3.17Å; S32-V37 WeakPolarHBondContact OG-CA 3.35Å; S32-V37 VanDerWaalsContact OG-CB 3.31Å; S32-V37 WeakPolarHBondContact OG-CB 3.36Å; S32-V37 PolarHBondContact OG-N 3.39Å; S32-V37 PolarHBondContact OG-O 3.38Å; F35-V37 HydrophobicContact CB-CB 4.46Å; F35-V37 HydrophobicContact CB-CG2 3.64Å; F35-V37 PolarHBondContact O-N 2.99Å; V37-L131 HydrophobicContact CG1-CD1 3.42Å; V37-L131 VanDerWaalsContact CG1-CD1 3.42Å; V37-L131 HydrophobicContact CG1-CG 3.92Å; V37-Q132 CarbonylContact C-O 3.54Å; V37-Q132 VanDerWaalsContact CA-O 3.27Å; V37-Q132 WeakPolarHBondContact CA-O 3.31Å; V37-Q132 WeakPolarHBondContact CG1-O 3.23Å; V37-M138 HydrophobicContact CG1-CE 3.65Å; V37-M138 HydrophobicContact CG2-CE 4Å
38S91.9Very high89Confident32 Ų3248 Ų4822%0.22424%0.243CC..EExtended strand (participates in β ladder)trans-102.2137.7171.459.50000109.6Q132S38-Q132 PolarHBondContact N-O 2.48Å; S38-Q132 PolarHBondContact O-N 3.04Å
39L93Very high88.7Confident2 Ų252.7 Ų52.71%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-125.1127-179.3173.966.9000109.4F10 C30 L41 I58 M129 R130 L131F10-L39 HydrophobicContact CD1-CB 3.8Å; F10-L39 HydrophobicContact CD1-CD2 4.15Å; F10-L39 HydrophobicContact CD2-CD2 4.16Å; F10-L39 HydrophobicContact CE1-CB 3.59Å; F10-L39 HydrophobicContact CE1-CD2 4.25Å; F10-L39 HydrophobicContact CE2-CD2 4.22Å; F10-L39 HydrophobicContact CG-CD2 4.12Å; F10-L39 HydrophobicContact CZ-CB 4.19Å; F10-L39 HydrophobicContact CZ-CD2 4.28Å; C30-L39 HydrophobicContact CB-CB 4.29Å; C30-L39 PolarHBondContact N-O 2.71Å; C30-L39 PolarHBondContact O-N 2.75Å; L39-L41 HydrophobicContact CD1-CB 4.48Å; L39-L41 HydrophobicContact CG-CB 4.33Å; L39-I58 HydrophobicContact CD2-CD1 3.22Å; L39-M129 HydrophobicContact CD1-CG 3.58Å; L39-M129 HydrophobicContact CD1-SD 4.05Å; L39-R130 CarbonylContact C-O 3.51Å; L39-R130 WeakPolarHBondContact CA-O 3.43Å; L39-L131 HydrophobicContact CB-CD1 4.19Å; L39-L131 HydrophobicContact CD1-CB 4.43Å; L39-L131 HydrophobicContact CD1-CD1 3.91Å
40I94.4Very high88.4Confident22 Ų2250.7 Ų50.711%0.11327%0.267CS..EExtended strand (participates in β ladder)trans-110.4124.8166.3-54.6176000106.6R27 L28 F29 M129 R130R27-I40 HydrophobicContact CG-CG2 3.6Å; L28-I40 WeakPolarHBondContact O-CA 3.24Å; F29-I40 HydrophobicContact CD1-CD1 4.13Å; F29-I40 HydrophobicContact CD1-CG1 3.87Å; F29-I40 HydrophobicContact CE1-CD1 3.48Å; F29-I40 VanDerWaalsContact CE1-CD1 3.48Å; F29-I40 HydrophobicContact CE1-CG1 3.72Å; F29-I40 HydrophobicContact CE2-CG2 4.2Å; F29-I40 HydrophobicContact CG-CG1 4.49Å; F29-I40 HydrophobicContact CZ-CD1 3.9Å; F29-I40 HydrophobicContact CZ-CG1 4.21Å; F29-I40 HydrophobicContact CZ-CG2 4.18Å; I40-M129 CarbonylContact O-C 3.51Å; I40-M129 VanDerWaalsContact O-CA 3.24Å; I40-M129 WeakPolarHBondContact O-CA 3.32Å; I40-R130 HydrophobicContact CB-CB 4.13Å; I40-R130 PolarHBondContact N-O 2.79Å; I40-R130 PolarHBondContact O-N 3.32Å
41L93.7Very high88.1Confident1 Ų157.2 Ų57.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-138.7125.1-177.8-17567.2000111.1L28 L39 V43 I58 M91 F124 M129 L149 M151L28-L41 PolarHBondContact N-O 3.04Å; L28-L41 PolarHBondContact O-N 2.79Å; L39-L41 HydrophobicContact CD1-CB 4.48Å; L39-L41 HydrophobicContact CG-CB 4.33Å; L41-V43 HydrophobicContact CD2-CG1 3.59Å; L41-V43 HydrophobicContact CG-CG1 3.73Å; L41-I58 HydrophobicContact CD2-CD1 4.44Å; L41-M91 HydrophobicContact CD1-CE 3.86Å; L41-M91 HydrophobicContact CD2-CE 4.13Å; L41-M91 HydrophobicContact CG-CE 4.28Å; L41-F124 HydrophobicContact CD1-CE2 4.47Å; L41-M129 HydrophobicContact CD1-CB 3.73Å; L41-M129 HydrophobicContact CD1-CG 3.81Å; L41-M129 HydrophobicContact CD1-SD 4.28Å; L41-L149 HydrophobicContact CD1-CD1 3.69Å; L41-L149 HydrophobicContact CD2-CD1 3.92Å; L41-L149 HydrophobicContact CD2-CD2 4.49Å; L41-L149 HydrophobicContact CG-CD1 4.48Å; L41-M151 HydrophobicContact CD2-SD 4.48Å
42D93Very high88Confident13 Ų1359 Ų597%0.0730%0.303CS..EExtended strand (participates in β ladder)trans-80.9120.5168.6-63.6-24.1000109V25 R27 L127 L128V25-D42 HydrophobicContact CG1-CB 4.03Å; R27-D42 WeakPolarHBondContact CB-OD1 3.34Å; R27-D42 WeakPolarHBondContact CG-OD1 3.48Å; R27-D42 IonicContact CZ-OD1 3.54Å; R27-D42 IonicContact NE-OD1 3.58Å; R27-D42 PolarHBondContact NE-OD1 2.83Å; R27-D42 IonicContact NE-OD2 2.79Å; R27-D42 IonicContact NH2-OD1 3.38Å; R27-D42 PolarHBondContact NH2-OD1 2.85Å; R27-D42 IonicContact NH2-OD2 3.17Å; R27-D42 PolarHBondContact NH2-OD2 3.04Å; R27-D42 VanDerWaalsContact NH2-OD2 3.17Å; D42-L127 HydrophobicContact CB-CB 4.07Å; D42-L127 HydrophobicContact CB-CD2 3.89Å; D42-L128 PolarHBondContact N-O 3.34Å; D42-L128 PolarHBondContact OD2-N 2.89Å
43V91Very high87.9Confident0 Ų064.4 Ų64.40%033%0.331CS..EExtended strand (participates in β ladder)trans-122.8150.5179.4-58.50000111.9V25 S26 L28 L41 T45V25-V43 VanDerWaalsContact CA-O 3.32Å; V25-V43 WeakPolarHBondContact CA-O 3.35Å; S26-V43 PolarHBondContact N-O 3Å; S26-V43 VanDerWaalsContact N-O 3.07Å; S26-V43 PolarHBondContact O-N 2.88Å; L28-V43 HydrophobicContact CD1-CB 4.34Å; L28-V43 HydrophobicContact CD1-CG1 3.8Å; L28-V43 HydrophobicContact CD1-CG2 3.57Å; L28-V43 HydrophobicContact CD2-CG2 4.26Å; L28-V43 HydrophobicContact CG-CG1 4.42Å; L28-V43 HydrophobicContact CG-CG2 3.77Å; L41-V43 HydrophobicContact CD2-CG1 3.59Å; L41-V43 HydrophobicContact CG-CG1 3.73Å; V43-T45 HydrophobicContact CG2-CG2 4.06Å; V43-T45 PolarHBondContact O-N 3.04Å; V43-T45 VanDerWaalsContact O-N 3.16Å
44N90.7Very high88.1Confident39 Ų3961 Ų6121%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-80.494.4173.2-172.5-20.2000110.7R24 Q46 L47 Y48 Y89R24-N44 CarbonylContact O-C 3.59Å; R24-N44 WeakPolarHBondContact O-CA 3.36Å; R24-N44 PolarHBondContact O-OD1 2.96Å; R24-N44 VanDerWaalsContact O-OD1 3.05Å; N44-Q46 PolarHBondContact O-N 2.82Å; N44-Q46 VanDerWaalsContact O-N 3.16Å; N44-Q46 VanDerWaalsContact OD1-CB 3.27Å; N44-Q46 WeakPolarHBondContact OD1-CB 3.22Å; N44-Q46 PolarHBondContact OD1-N 2.82Å; N44-Q46 VanDerWaalsContact OD1-N 3.11Å; N44-L47 HydrophobicContact CB-CD1 4.44Å; N44-L47 PolarHBondContact O-N 2.8Å; N44-L47 VanDerWaalsContact O-N 3.08Å; N44-Y48 PolarHBondContact O-N 3.45Å; N44-Y89 PolarHBondContact N-OH 2.83Å
45T86.7Confident88.7Confident30 Ų3060.8 Ų60.818%0.18430%0.304CS..THydrogen-bonded Turntrans-66.5-13.9-178.249.60000114.1R24 S26 V43 Y48R24-T45 PolarHBondContact O-N 2.76Å; R24-T45 PolarHBondContact O-OG1 2.85Å; S26-T45 VanDerWaalsContact CB-CG2 3.49Å; V43-T45 HydrophobicContact CG2-CG2 4.06Å; V43-T45 PolarHBondContact O-N 3.04Å; V43-T45 VanDerWaalsContact O-N 3.16Å; T45-Y48 WeakPolarHBondContact CA-O 3.44Å
46Q86.5Confident89.5Confident125 Ų12557.7 Ų57.758%0.58429%0.291SS*.THydrogen-bonded Turntrans-73.8-36.2172.1-172.3-176.2-14.400111.9N44N44-Q46 PolarHBondContact O-N 2.82Å; N44-Q46 VanDerWaalsContact O-N 3.16Å; N44-Q46 VanDerWaalsContact OD1-CB 3.27Å; N44-Q46 WeakPolarHBondContact OD1-CB 3.22Å; N44-Q46 PolarHBondContact OD1-N 2.82Å; N44-Q46 VanDerWaalsContact OD1-N 3.11Å
47L87.2Confident89.9Confident123 Ų12353.3 Ų53.364%0.64427%0.269SS*.THydrogen-bonded Turntrans-86.8-39.1178.6-66.5177.4000111.4N44 Y89N44-L47 HydrophobicContact CB-CD1 4.44Å; N44-L47 PolarHBondContact O-N 2.8Å; N44-L47 VanDerWaalsContact O-N 3.08Å; L47-Y89 HydrophobicContact CB-CE2 4.37Å
48Y86.3Confident89.9Confident23 Ų2353.4 Ų53.49%0.0927%0.269CS..SBendtrans-131.690.9-174.7-160.9-100.6000110.1N44 T45 V50 F56 E88 Y89 M151 H153N44-Y48 PolarHBondContact O-N 3.45Å; T45-Y48 WeakPolarHBondContact CA-O 3.44Å; Y48-V50 HydrophobicContact CD1-CG2 3.61Å; Y48-V50 HydrophobicContact CE1-CG2 3.9Å; Y48-V50 PolarHBondContact O-N 3.03Å; Y48-F56 HydrophobicContact CE1-CD1 4.06Å; Y48-F56 AromaticContact CE1-CE1 3.57Å; Y48-F56 HydrophobicContact CE1-CE1 3.57Å; Y48-F56 HydrophobicContact CE1-CZ 4.44Å; Y48-E88 HydrophobicContact CE2-CB 3.68Å; Y48-E88 WeakPolarHBondContact CE2-OE2 3.31Å; Y48-E88 PolarHBondContact OH-OE2 2.78Å; Y48-Y89 HydrophobicContact CD2-CD2 4.49Å; Y48-Y89 HydrophobicContact CG-CD2 4.25Å; Y48-Y89 HydrophobicContact CG-CG 4.27Å; Y48-M151 HydrophobicContact CD1-CE 4.02Å; Y48-M151 HydrophobicContact CE1-CE 3.53Å; Y48-M151 HydrophobicContact CE1-SD 4.32Å; Y48-H153 WeakPolarHBondContact OH-CB 3.33Å; Y48-H153 PolarHBondContact OH-N 3.08Å
49P86.2Confident89.8Confident101 Ų10152.5 Ų52.566%0.65626%0.262SS*.  trans-71.7120.3-17828.7-33000110
50V86.9Confident89.6Confident18 Ų1852.5 Ų52.511%0.10926%0.262CS..  trans-112.1139179.4173.90000109.8V12 I15 L28 Y48 F56 M151V12-V50 HydrophobicContact CG1-CG1 4.48Å; V12-V50 HydrophobicContact CG2-CG1 3.83Å; I15-V50 HydrophobicContact CD1-CG1 4.32Å; L28-V50 HydrophobicContact CD1-CB 4.24Å; L28-V50 HydrophobicContact CD1-CG1 3.91Å; L28-V50 HydrophobicContact CD1-CG2 4.08Å; L28-V50 HydrophobicContact CD2-CB 4.21Å; L28-V50 HydrophobicContact CD2-CG1 3.87Å; Y48-V50 HydrophobicContact CD1-CG2 3.61Å; Y48-V50 HydrophobicContact CE1-CG2 3.9Å; Y48-V50 PolarHBondContact O-N 3.03Å; V50-F56 HydrophobicContact CB-CZ 4.19Å; V50-F56 HydrophobicContact CG1-CE2 3.59Å; V50-F56 HydrophobicContact CG1-CZ 3.64Å; V50-F56 HydrophobicContact CG2-CE1 4.3Å; V50-F56 HydrophobicContact CG2-CE2 4.43Å; V50-F56 HydrophobicContact CG2-CZ 3.84Å; V50-M151 HydrophobicContact CG2-CE 4.17Å
51K87.4Confident89.3Confident142 Ų14251.4 Ų51.462%0.61726%0.256SS*.  trans-111.2162.1173.2-51.9179.8-164.8134.80111.9E54K51-E54 VanDerWaalsContact CB-CD 3.49Å; K51-E54 HydrophobicContact CB-CG 3.99Å; K51-E54 WeakPolarHBondContact CB-OE1 2.99Å; K51-E54 VanDerWaalsContact CD-OE1 3.31Å; K51-E54 WeakPolarHBondContact CD-OE1 3.33Å; K51-E54 VanDerWaalsContact CG-OE1 3.31Å; K51-E54 WeakPolarHBondContact CG-OE1 3.2Å; K51-E54 PolarHBondContact N-OE2 2.98Å; K51-E54 IonicContact NZ-OE1 3.47Å; K51-E54 PolarHBondContact O-N 2.81Å
52L89.5Confident88.8Confident109 Ų10954 Ų5457%0.57127%0.274SS*.THydrogen-bonded Turntrans-61.3142.8171.2-68.9164.1000109.9I15 E54I15-L52 HydrophobicContact CB-CD2 4.25Å; I15-L52 HydrophobicContact CD1-CD2 4.18Å; I15-L52 HydrophobicContact CD1-CG 4.06Å; I15-L52 HydrophobicContact CG1-CD2 3.76Å; I15-L52 HydrophobicContact CG1-CG 4.19Å; L52-E54 PolarHBondContact O-N 2.83Å
53D89Confident88.2Confident128 Ų12854 Ų5468%0.68428%0.275SS*.THydrogen-bonded Turntrans66.611.4179.7-152.536.5000115.2V12V12-D53 WeakPolarHBondContact O-CA 3.45Å; V12-D53 PolarHBondContact O-N 2.96Å
54E90.5Very high87.3Confident35 Ų3554.7 Ų54.716%0.16428%0.278CS..  trans-78.5145.7170.9-74.6178.5173.200111.2V12 K51 L52 F56V12-E54 PolarHBondContact N-O 2.91Å; K51-E54 VanDerWaalsContact CB-CD 3.49Å; K51-E54 HydrophobicContact CB-CG 3.99Å; K51-E54 WeakPolarHBondContact CB-OE1 2.99Å; K51-E54 VanDerWaalsContact CD-OE1 3.31Å; K51-E54 WeakPolarHBondContact CD-OE1 3.33Å; K51-E54 VanDerWaalsContact CG-OE1 3.31Å; K51-E54 WeakPolarHBondContact CG-OE1 3.2Å; K51-E54 PolarHBondContact N-OE2 2.98Å; K51-E54 IonicContact NZ-OE1 3.47Å; K51-E54 PolarHBondContact O-N 2.81Å; L52-E54 PolarHBondContact O-N 2.83Å; E54-F56 HydrophobicContact CB-CD2 4.44Å; E54-F56 HydrophobicContact CB-CE2 3.45Å; E54-F56 VanDerWaalsContact CB-CE2 3.45Å; E54-F56 HydrophobicContact CB-CZ 3.6Å; E54-F56 WeakPolarHBondContact OE2-CZ 3.41Å
55K91.6Very high86.2Confident71 Ų7156.4 Ų56.431%0.30928%0.282SS..EExtended strand (participates in β ladder)trans-100.3134.3177.7-61.6-163.4174-167.10110.5F10 V11 E33 V154F10-K55 CarbonylContact O-C 3.5Å; F10-K55 WeakPolarHBondContact O-CA 3.27Å; V11-K55 HydrophobicContact CG2-CD 4.41Å; V11-K55 HydrophobicContact CG2-CG 4.11Å; E33-K55 IonicContact OE1-NZ 2.67Å; E33-K55 PolarHBondContact OE1-NZ 3.28Å; E33-K55 IonicContact OE2-NZ 3.95Å; E33-K55 PolarHBondContact OE2-NZ 3.24Å; K55-V154 HydrophobicContact CB-CB 4.26Å; K55-V154 PolarHBondContact O-N 2.66Å
56F90.7Very high85.2Confident3 Ų359.8 Ų59.81%0.01330%0.295CS..EExtended strand (participates in β ladder)trans-130.9141.2178.7-59.8-82.6000110.5L9 F10 V12 Y48 V50 E54 M151 K152 H153L9-F56 CarbonylContact C-O 3.56Å; L9-F56 WeakPolarHBondContact CA-O 3.39Å; F10-F56 PolarHBondContact N-O 2.78Å; F10-F56 PolarHBondContact O-N 2.87Å; V12-F56 HydrophobicContact CG2-CD2 3.66Å; V12-F56 HydrophobicContact CG2-CE2 3.45Å; V12-F56 VanDerWaalsContact CG2-CE2 3.45Å; Y48-F56 HydrophobicContact CE1-CD1 4.06Å; Y48-F56 AromaticContact CE1-CE1 3.57Å; Y48-F56 HydrophobicContact CE1-CE1 3.57Å; Y48-F56 HydrophobicContact CE1-CZ 4.44Å; V50-F56 HydrophobicContact CB-CZ 4.19Å; V50-F56 HydrophobicContact CG1-CE2 3.59Å; V50-F56 HydrophobicContact CG1-CZ 3.64Å; V50-F56 HydrophobicContact CG2-CE1 4.3Å; V50-F56 HydrophobicContact CG2-CE2 4.43Å; V50-F56 HydrophobicContact CG2-CZ 3.84Å; E54-F56 HydrophobicContact CB-CD2 4.44Å; E54-F56 HydrophobicContact CB-CE2 3.45Å; E54-F56 VanDerWaalsContact CB-CE2 3.45Å; E54-F56 HydrophobicContact CB-CZ 3.6Å; E54-F56 WeakPolarHBondContact OE2-CZ 3.41Å; F56-M151 HydrophobicContact CB-CE 3.89Å; F56-M151 HydrophobicContact CB-CG 4.35Å; F56-M151 HydrophobicContact CD1-CE 3.23Å; F56-M151 HydrophobicContact CD1-CG 4.42Å; F56-M151 HydrophobicContact CD2-CE 3.93Å; F56-M151 HydrophobicContact CE1-CE 3.65Å; F56-M151 HydrophobicContact CE2-CE 4.29Å; F56-M151 HydrophobicContact CG-CE 3.38Å; F56-M151 HydrophobicContact CZ-CE 4.16Å; F56-K152 WeakPolarHBondContact CA-O 3.46Å; F56-H153 HydrophobicContact CD1-CB 4.09Å; F56-H153 HydrophobicContact CE1-CB 3.93Å; F56-H153 AromaticContact CE1-CD2 3.44Å; F56-H153 VanDerWaalsContact CE1-CD2 3.44Å; F56-H153 WeakPolarHBondContact CE1-CD2 3.39Å; F56-H153 AromaticContact CZ-CD2 3.83Å
57R91.5Very high83.9Confident100 Ų10059.5 Ų59.538%0.37730%0.298SS..EExtended strand (participates in β ladder)trans-91.7127165.5-171.5175.5-179.7171.7-0.6108.5D7 D8 L9 M151 K152 V154D7-R57 IonicContact OD1-CZ 2.93Å; D7-R57 IonicContact OD1-NE 2.78Å; D7-R57 PolarHBondContact OD1-NE 2.79Å; D7-R57 IonicContact OD1-NH2 2.72Å; D7-R57 PolarHBondContact OD1-NH2 2.98Å; D7-R57 IonicContact OD2-CZ 3.32Å; D7-R57 IonicContact OD2-NE 3.82Å; D7-R57 IonicContact OD2-NH2 2.79Å; D7-R57 PolarHBondContact OD2-NH2 3.24Å; D8-R57 WeakPolarHBondContact O-CA 3.4Å; L9-R57 HydrophobicContact CD2-CB 3.79Å; L9-R57 HydrophobicContact CD2-CG 4.14Å; R57-M151 WeakPolarHBondContact O-CA 3.45Å; R57-K152 PolarHBondContact N-O 3.36Å; R57-K152 PolarHBondContact O-N 2.8Å; R57-V154 HydrophobicContact CB-CG2 3.92Å
58I90.8Very high82.5Confident4 Ų455.8 Ų55.82%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-117.8128.5175.9-65.7175000108.4D7 D8 F10 L39 L41 L60 L149 L150 M151D7-I58 WeakPolarHBondContact CA-O 3.15Å; D8-I58 PolarHBondContact N-O 2.58Å; D8-I58 PolarHBondContact O-N 3.29Å; F10-I58 HydrophobicContact CD2-CB 3.95Å; F10-I58 HydrophobicContact CD2-CD1 3.95Å; F10-I58 HydrophobicContact CD2-CG1 4.19Å; F10-I58 HydrophobicContact CE2-CB 4.12Å; F10-I58 HydrophobicContact CG-CD1 4.44Å; L39-I58 HydrophobicContact CD2-CD1 3.22Å; L41-I58 HydrophobicContact CD2-CD1 4.44Å; I58-L60 HydrophobicContact CG2-CG 4.48Å; I58-L149 HydrophobicContact CG2-CD1 4.43Å; I58-L149 HydrophobicContact CG2-CG 4.17Å; I58-L150 WeakPolarHBondContact CA-O 3.39Å; I58-M151 HydrophobicContact CG1-CB 4.38Å; I58-M151 HydrophobicContact CG1-CG 4.1Å
59M89.4Confident81Confident13 Ų1361.3 Ų61.36%0.06431%0.314CS..EExtended strand (participates in β ladder)trans-121.3128.6175.9-178.1179.1-74.300109I4 F6 D7 F87 L150I4-M59 HydrophobicContact CD1-CE 4.17Å; I4-M59 HydrophobicContact CD1-SD 4Å; I4-M59 HydrophobicContact CG1-SD 4.2Å; I4-M59 HydrophobicContact CG2-CG 4.07Å; I4-M59 HydrophobicContact CG2-SD 4.44Å; F6-M59 CarbonylContact O-C 3.59Å; F6-M59 VanDerWaalsContact O-CA 3.31Å; F6-M59 WeakPolarHBondContact O-CA 2.89Å; D7-M59 HydrophobicContact CB-CE 4.2Å; D7-M59 HydrophobicContact CB-CG 4.43Å; D7-M59 VanDerWaalsContact OD2-CE 3.23Å; D7-M59 WeakPolarHBondContact OD2-CE 3.27Å; M59-F87 HydrophobicContact CB-CE1 3.84Å; M59-F87 HydrophobicContact CB-CZ 3.62Å; M59-F87 HydrophobicContact CE-CE2 4.29Å; M59-F87 HydrophobicContact CE-CZ 3.8Å; M59-F87 HydrophobicContact CG-CZ 4.32Å; M59-F87 HydrophobicContact SD-CE2 4.01Å; M59-F87 HydrophobicContact SD-CZ 3.77Å; M59-L150 HydrophobicContact CB-CB 4.38Å; M59-L150 PolarHBondContact N-O 3.25Å; M59-L150 PolarHBondContact O-N 3.47Å
60L89.5Confident79.7Confident2 Ų261.8 Ų61.81%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-108.3128.3173.6-58.4169.4000108.6I5 F6 I58 M129 L131 F141 V147 Y148 L149I5-L60 PolarHBondContact N-O 2.97Å; F6-L60 HydrophobicContact CB-CB 3.98Å; F6-L60 HydrophobicContact CB-CD1 4.11Å; F6-L60 HydrophobicContact CB-CG 4.32Å; F6-L60 HydrophobicContact CD1-CD1 4.44Å; F6-L60 PolarHBondContact N-O 3.04Å; F6-L60 VanDerWaalsContact N-O 3.14Å; F6-L60 PolarHBondContact O-N 3.25Å; I58-L60 HydrophobicContact CG2-CG 4.48Å; L60-M129 HydrophobicContact CD1-CE 3.92Å; L60-M129 HydrophobicContact CD1-SD 4.35Å; L60-M129 HydrophobicContact CD2-CE 4.38Å; L60-M129 HydrophobicContact CD2-SD 4.22Å; L60-L131 HydrophobicContact CD1-CD2 4.12Å; L60-F141 HydrophobicContact CB-CE1 4.32Å; L60-F141 HydrophobicContact CB-CZ 4.13Å; L60-F141 HydrophobicContact CD1-CE1 3.86Å; L60-F141 HydrophobicContact CD1-CZ 3.44Å; L60-F141 VanDerWaalsContact CD1-CZ 3.44Å; L60-F141 HydrophobicContact CG-CZ 4.39Å; L60-V147 HydrophobicContact CB-CG2 4.09Å; L60-V147 HydrophobicContact CD2-CG2 4.03Å; L60-Y148 VanDerWaalsContact CA-O 3.31Å; L60-Y148 WeakPolarHBondContact CA-O 3.21Å; L60-L149 HydrophobicContact CD2-CB 3.68Å; L60-L149 HydrophobicContact CD2-CD1 4.01Å; L60-L149 HydrophobicContact CD2-CG 3.83Å
61S87Confident78.5Confident0 Ų063.5 Ų63.50%032%0.324CS..EExtended strand (participates in β ladder)trans-135.2141.6-178.1-165.90000110.6G3 T63 R83 Y148G3-S61 CarbonylContact O-C 3.52Å; G3-S61 VanDerWaalsContact O-CA 3.22Å; G3-S61 WeakPolarHBondContact O-CA 3.32Å; G3-S61 PolarHBondContact O-OG 3.29Å; G3-S61 VanDerWaalsContact O-OG 3.04Å; S61-T63 VanDerWaalsContact C-N 3.29Å; S61-T63 PolarHBondContact OG-O 3.45Å; S61-R83 PolarHBondContact OG-NH1 3.2Å; S61-Y148 PolarHBondContact N-O 2.93Å; S61-Y148 WeakPolarHBondContact O-CB 3.31Å; S61-Y148 PolarHBondContact O-N 3.43Å
62S84.3Confident77.2Confident54 Ų5463.8 Ų63.838%0.37833%0.328SS..SBendtrans-75.2-21.417253.50000112.8G3G3-S62 WeakPolarHBondContact CA-OG 2.88Å; G3-S62 PolarHBondContact O-N 3.02Å; G3-S62 PolarHBondContact O-OG 3.39Å
63T79.2Confident76Confident14 Ų1467.1 Ų67.19%0.08635%0.346CS..  trans-145.5147.5177.3179.80000112.2S61 R65 E71 R83S61-T63 VanDerWaalsContact C-N 3.29Å; S61-T63 PolarHBondContact OG-O 3.45Å; T63-R65 PolarHBondContact OG1-N 3.12Å; T63-E71 WeakPolarHBondContact CA-OE1 3.46Å; T63-E71 PolarHBondContact OG1-OE1 3.4Å; T63-R83 PolarHBondContact O-NH1 2.89Å
64L73Confident75Confident14 Ų1469 Ų697%0.07335%0.351CS..SBendtrans-84-20170-66.3172.5000112.6E71 F79 C81 L84 Y148 L150L64-E71 PolarHBondContact N-OE1 2.94Å; L64-F79 HydrophobicContact CB-CE1 4.29Å; L64-C81 PolarHBondContact O-SG 2.92Å; L64-C81 VanDerWaalsContact O-SG 3.41Å; L64-L84 HydrophobicContact CD1-CD2 4.02Å; L64-L84 HydrophobicContact CD2-CD2 3.92Å; L64-L84 HydrophobicContact CD2-CG 4.48Å; L64-Y148 HydrophobicContact CD1-CD1 3.55Å; L64-Y148 HydrophobicContact CD1-CE1 3.35Å; L64-Y148 HydrophobicContact CD1-CE2 4.48Å; L64-Y148 HydrophobicContact CD1-CG 4.19Å; L64-Y148 HydrophobicContact CD2-CD1 3.96Å; L64-Y148 HydrophobicContact CD2-CG 3.95Å; L64-Y148 HydrophobicContact CG-CD1 3.63Å; L64-Y148 HydrophobicContact CG-CD2 4.01Å; L64-Y148 HydrophobicContact CG-CE1 3.78Å; L64-Y148 HydrophobicContact CG-CE2 4.15Å; L64-Y148 HydrophobicContact CG-CG 3.73Å; L64-L150 HydrophobicContact CD2-CD1 4.42Å; L64-L150 HydrophobicContact CD2-CD2 4.16Å
65R67.5Low73.9Confident75 Ų7576.5 Ų76.528%0.28338%0.379SS..  trans-77.4127.1-180-59.2-175.678.1141.40.8109.8T63 D67 E71 F79T63-R65 PolarHBondContact OG1-N 3.12Å; R65-D67 PolarHBondContact O-N 2.81Å; R65-E71 HydrophobicContact CG-CG 4.26Å; R65-F79 HydrophobicContact CG-CE2 4.29Å; R65-F79 HydrophobicContact CG-CZ 3.82Å
66E65.3Low72.8Confident101 Ų10177.2 Ų77.247%0.47239%0.386SS..THydrogen-bonded Turntrans-72-19.9175.3-59.9-162.2144.800112.6G68 R83E66-G68 VanDerWaalsContact C-N 3.27Å; E66-G68 PolarHBondContact O-N 3.36Å; E66-R83 IonicContact OE1-NE 3.6Å
67D59.6Low71.8Confident119 Ų11981.8 Ų81.864%0.63642%0.416SS*.THydrogen-bonded Turntrans-75.8-9.6-177.2-60.1-33.7000113.8R65 F69R65-D67 PolarHBondContact O-N 2.81Å; D67-F69 HydrophobicContact CB-CD2 3.88Å; D67-F69 HydrophobicContact CB-CE2 4.45Å; D67-F69 PolarHBondContact O-N 3.27Å
68G56.8Low70.6Confident45 Ų4582 Ų8246%0.46443%0.429SS..  trans70.27.7176.500000115.6E66E66-G68 VanDerWaalsContact C-N 3.27Å; E66-G68 PolarHBondContact O-N 3.36Å
69F56.1Low69.5Low140 Ų14085.6 Ų85.661%0.61444%0.444SS*.PPolyproline II helixtrans-70.6143.7168.7-75.7-84.8000110.4D67 E71D67-F69 HydrophobicContact CB-CD2 3.88Å; D67-F69 HydrophobicContact CB-CE2 4.45Å; D67-F69 PolarHBondContact O-N 3.27Å; F69-E71 PolarHBondContact O-N 2.93Å
70P58.3Low68.2Low111 Ų11190 Ų9072%0.72147%0.472SS*.PPolyproline II helixtrans-56137172.125.4-33000108.8
71E61Low67.1Low53 Ų5390.6 Ų90.625%0.24848%0.476CS..PPolyproline II helixtrans-65.2138.5176.5-75.1175.9-179.500110.2T63 L64 R65 F69 Y148T63-E71 WeakPolarHBondContact CA-OE1 3.46Å; T63-E71 PolarHBondContact OG1-OE1 3.4Å; L64-E71 PolarHBondContact N-OE1 2.94Å; R65-E71 HydrophobicContact CG-CG 4.26Å; F69-E71 PolarHBondContact O-N 2.93Å; E71-Y148 WeakPolarHBondContact OE1-CE2 3.43Å; E71-Y148 WeakPolarHBondContact OE2-CE2 3.27Å; E71-Y148 PolarHBondContact OE2-OH 3.09Å
72E61.1Low66.2Low149 Ų14996.9 Ų96.970%0.69651%0.506SS*.PPolyproline II helixtrans-70.5142.6168.3-66.3177.6-179.800107.6E74E72-E74 PolarHBondContact O-N 3.29Å
73D63.2Low65.4Low178 Ų17895.2 Ų95.295%0.95249%0.491SS*.SBendtrans-61.7-5.6-177.2-70.6-44.7000113.9
74E68.2Low65.1Low168 Ų16896.5 Ų96.579%0.78550%0.497SS*.SBendtrans-100.2117.2-177.1-162.1159.3-160.600110.9E72 D76E72-E74 PolarHBondContact O-N 3.29Å; E74-D76 PolarHBondContact O-N 3.07Å
75Y67.9Low65.1Low192 Ų192102.6 Ų102.675%0.75353%0.525SS*.  trans-71.1110.9174.7176.1-106.3000110.2P77Y75-P77 HydrophobicContact CE1-CB 3.9Å; Y75-P77 WeakPolarHBondContact O-CD 3.46Å
76D68.6Low65.7Low87 Ų87103.3 Ų103.347%0.46554%0.535SS..  trans-89.8109170.7-168.4-18.2000110E74 T78 F79E74-D76 PolarHBondContact O-N 3.07Å; D76-T78 VanDerWaalsContact CG-OG1 3.25Å; D76-T78 PolarHBondContact O-N 2.91Å; D76-T78 VanDerWaalsContact O-N 3.16Å; D76-T78 WeakPolarHBondContact OD1-CB 3.4Å; D76-T78 PolarHBondContact OD1-N 2.92Å; D76-T78 PolarHBondContact OD1-OG1 2.89Å; D76-T78 PolarHBondContact OD2-OG1 2.94Å; D76-F79 HydrophobicContact CB-CB 4.39Å; D76-F79 VanDerWaalsContact O-CB 3.26Å; D76-F79 WeakPolarHBondContact O-CB 3.38Å; D76-F79 PolarHBondContact O-N 2.72Å; D76-F79 VanDerWaalsContact O-N 3.08Å
77P68.6Low66.6Low99 Ų9999.6 Ų99.664%0.64352%0.517SS*.THydrogen-bonded Turntrans-67.4-12.7179.229.4-36.1000113.1Y75 F79Y75-P77 HydrophobicContact CE1-CB 3.9Å; Y75-P77 WeakPolarHBondContact O-CD 3.46Å; P77-F79 VanDerWaalsContact C-N 3.31Å
78T67.5Low68Low105 Ų10599.5 Ų99.564%0.64451%0.513SS*.THydrogen-bonded Turntrans-85.8-7.5175.870.70000112.9D76 T80D76-T78 VanDerWaalsContact CG-OG1 3.25Å; D76-T78 PolarHBondContact O-N 2.91Å; D76-T78 VanDerWaalsContact O-N 3.16Å; D76-T78 WeakPolarHBondContact OD1-CB 3.4Å; D76-T78 PolarHBondContact OD1-N 2.92Å; D76-T78 PolarHBondContact OD1-OG1 2.89Å; D76-T78 PolarHBondContact OD2-OG1 2.94Å; T78-T80 PolarHBondContact O-N 3.19Å
79F67.1Low69.5Low79 Ų7998.6 Ų98.635%0.34650%0.495SS..  trans-68.1105.8177.2-173-99.5000110.3L64 R65 D76 P77 C81 L84L64-F79 HydrophobicContact CB-CE1 4.29Å; R65-F79 HydrophobicContact CG-CE2 4.29Å; R65-F79 HydrophobicContact CG-CZ 3.82Å; D76-F79 HydrophobicContact CB-CB 4.39Å; D76-F79 VanDerWaalsContact O-CB 3.26Å; D76-F79 WeakPolarHBondContact O-CB 3.38Å; D76-F79 PolarHBondContact O-N 2.72Å; D76-F79 VanDerWaalsContact O-N 3.08Å; P77-F79 VanDerWaalsContact C-N 3.31Å; F79-C81 HydrophobicContact CE1-CB 3.78Å; F79-C81 HydrophobicContact CZ-CB 4.04Å; F79-L84 HydrophobicContact CD1-CD1 3.92Å; F79-L84 HydrophobicContact CE1-CD1 4.31Å; F79-L84 WeakPolarHBondContact O-CD1 3.46Å
80T63.1Low71Confident105 Ų10594.9 Ų94.964%0.64448%0.482SS*.  trans-104.5131.4168.657.40000109.1T78T78-T80 PolarHBondContact O-N 3.19Å
81C66.6Low72.6Confident14 Ų1490.2 Ų90.210%0.09545%0.45CS..  trans-132156168.586.70000109.5L64 F79 R83 L84 E85L64-C81 PolarHBondContact O-SG 2.92Å; L64-C81 VanDerWaalsContact O-SG 3.41Å; F79-C81 HydrophobicContact CE1-CB 3.78Å; F79-C81 HydrophobicContact CZ-CB 4.04Å; C81-R83 PolarHBondContact O-N 2.96Å; C81-R83 VanDerWaalsContact O-N 3.09Å; C81-L84 WeakPolarHBondContact O-CB 3.31Å; C81-L84 PolarHBondContact O-N 3.01Å; C81-L84 PolarHBondContact SG-N 3.48Å; C81-L84 VanDerWaalsContact SG-N 3.43Å; C81-E85 PolarHBondContact O-N 3.29Å; C81-E85 VanDerWaalsContact O-N 3.13Å
82Q67.2Low74Confident133 Ų13393.1 Ų93.162%0.62146%0.46SS*.Hα-helixtrans-58.6-26.9-179-66.7-173.14.300112.4N86Q82-N86 WeakPolarHBondContact O-CB 3.45Å; Q82-N86 VanDerWaalsContact O-CG 3.31Å; Q82-N86 PolarHBondContact O-N 3.14Å; Q82-N86 PolarHBondContact O-ND2 2.83Å
83R68.3Low75.5Confident18 Ų1886.3 Ų86.37%0.06843%0.43CS..Hα-helixtrans-67.4-45.4173.1-58.5-179.9179.1179.8-2.7110.8A2 S61 T63 E66 C81 E85 N86 F87 L150A2-R83 PolarHBondContact O-NH1 3.26Å; A2-R83 VanDerWaalsContact O-NH1 3.15Å; A2-R83 PolarHBondContact O-NH2 3.45Å; S61-R83 PolarHBondContact OG-NH1 3.2Å; T63-R83 PolarHBondContact O-NH1 2.89Å; E66-R83 IonicContact OE1-NE 3.6Å; C81-R83 PolarHBondContact O-N 2.96Å; C81-R83 VanDerWaalsContact O-N 3.09Å; R83-E85 VanDerWaalsContact C-N 3.29Å; R83-E85 PolarHBondContact O-N 2.61Å; R83-N86 PolarHBondContact O-N 2.91Å; R83-F87 WeakPolarHBondContact O-CD2 3.45Å; R83-F87 PolarHBondContact O-N 3.05Å; R83-L150 HydrophobicContact CB-CD2 4.14Å
84L71.6Confident76.8Confident41 Ų4182 Ų8222%0.21540%0.402CS..Hα-helixtrans-62.6-37.4178.6-67169.2000112.1L64 F79 C81 N86 I90L64-L84 HydrophobicContact CD1-CD2 4.02Å; L64-L84 HydrophobicContact CD2-CD2 3.92Å; L64-L84 HydrophobicContact CD2-CG 4.48Å; F79-L84 HydrophobicContact CD1-CD1 3.92Å; F79-L84 HydrophobicContact CE1-CD1 4.31Å; F79-L84 WeakPolarHBondContact O-CD1 3.46Å; C81-L84 WeakPolarHBondContact O-CB 3.31Å; C81-L84 PolarHBondContact O-N 3.01Å; C81-L84 PolarHBondContact SG-N 3.48Å; C81-L84 VanDerWaalsContact SG-N 3.43Å; L84-N86 VanDerWaalsContact C-N 3.33Å; L84-N86 PolarHBondContact O-N 2.83Å; L84-I90 HydrophobicContact CB-CD1 4.44Å; L84-I90 HydrophobicContact CD2-CD1 3.45Å; L84-I90 VanDerWaalsContact CD2-CD1 3.45Å; L84-I90 HydrophobicContact CD2-CG1 4.2Å; L84-I90 HydrophobicContact CD2-CG2 4.37Å
85E73.2Confident78Confident143 Ų14374 Ų7467%0.66837%0.365SS*.Hα-helixtrans-71.5-26.2179.6-67.2-179.2178.100113.6C81 R83C81-E85 PolarHBondContact O-N 3.29Å; C81-E85 VanDerWaalsContact O-N 3.13Å; R83-E85 VanDerWaalsContact C-N 3.29Å; R83-E85 PolarHBondContact O-N 2.61Å
86N80.7Confident79.2Confident89 Ų8969.9 Ų69.948%0.47635%0.349SS..Hα-helixtrans-86.4-16.3-175.3-83.6-47.6000114.2Q82 R83 L84 K152Q82-N86 WeakPolarHBondContact O-CB 3.45Å; Q82-N86 VanDerWaalsContact O-CG 3.31Å; Q82-N86 PolarHBondContact O-N 3.14Å; Q82-N86 PolarHBondContact O-ND2 2.83Å; R83-N86 PolarHBondContact O-N 2.91Å; L84-N86 VanDerWaalsContact C-N 3.33Å; L84-N86 PolarHBondContact O-N 2.83Å; N86-K152 VanDerWaalsContact O-CD 3.27Å; N86-K152 WeakPolarHBondContact O-CD 3.49Å; N86-K152 WeakPolarHBondContact O-CE 3.39Å; N86-K152 PolarHBondContact O-NZ 3.16Å
87F85Confident80.2Confident23 Ų2371.8 Ų71.810%0.10135%0.349CS..  trans-114.3144.9-176.5-71.9-97000110.2M59 R83 I90 L150 K152M59-F87 HydrophobicContact CB-CE1 3.84Å; M59-F87 HydrophobicContact CB-CZ 3.62Å; M59-F87 HydrophobicContact CE-CE2 4.29Å; M59-F87 HydrophobicContact CE-CZ 3.8Å; M59-F87 HydrophobicContact CG-CZ 4.32Å; M59-F87 HydrophobicContact SD-CE2 4.01Å; M59-F87 HydrophobicContact SD-CZ 3.77Å; R83-F87 WeakPolarHBondContact O-CD2 3.45Å; R83-F87 PolarHBondContact O-N 3.05Å; F87-I90 HydrophobicContact CB-CG1 4.49Å; F87-L150 HydrophobicContact CB-CB 3.92Å; F87-L150 HydrophobicContact CB-CD2 4.27Å; F87-L150 VanDerWaalsContact CD1-C 3.45Å; F87-L150 HydrophobicContact CD1-CB 3.47Å; F87-L150 VanDerWaalsContact CD1-CB 3.47Å; F87-L150 HydrophobicContact CD2-CB 3.98Å; F87-L150 HydrophobicContact CD2-CD2 3.84Å; F87-L150 HydrophobicContact CE1-CB 3.84Å; F87-L150 HydrophobicContact CE2-CB 4.31Å; F87-L150 HydrophobicContact CE2-CD2 4.3Å; F87-L150 HydrophobicContact CG-CB 3.53Å; F87-L150 HydrophobicContact CG-CD2 4.08Å; F87-L150 HydrophobicContact CG-CG 4.47Å; F87-L150 HydrophobicContact CZ-CB 4.24Å; F87-K152 HydrophobicContact CD1-CB 3.73Å; F87-K152 HydrophobicContact CE1-CB 4.2Å; F87-K152 HydrophobicContact CG-CB 4.41Å
88E87.1Confident81.2Confident117 Ų11769.4 Ų69.455%0.54733%0.331SS..SBendtrans-94.6-27.7-170.9-62.5170.9156.400111.7Y48 M151 H153Y48-E88 HydrophobicContact CE2-CB 3.68Å; Y48-E88 WeakPolarHBondContact CE2-OE2 3.31Å; Y48-E88 PolarHBondContact OH-OE2 2.78Å; E88-M151 PolarHBondContact N-O 3.36Å; E88-H153 WeakPolarHBondContact OE2-CB 3.26Å; E88-H153 PolarHBondContact OE2-N 3.05Å; E88-H153 VanDerWaalsContact OE2-N 3.16Å
89Y89.1Confident82.1Confident26 Ų2667.6 Ų67.610%0.10232%0.315CS..EExtended strand (participates in β ladder)trans-133.9124.8-176.7-168.9-106.6000109.9N44 L47 Y48 M91 M151N44-Y89 PolarHBondContact N-OH 2.83Å; L47-Y89 HydrophobicContact CB-CE2 4.37Å; Y48-Y89 HydrophobicContact CD2-CD2 4.49Å; Y48-Y89 HydrophobicContact CG-CD2 4.25Å; Y48-Y89 HydrophobicContact CG-CG 4.27Å; Y89-M91 HydrophobicContact CD1-CE 4.39Å; Y89-M91 HydrophobicContact CD1-CG 4.16Å; Y89-M91 HydrophobicContact CE1-CE 3.75Å; Y89-M91 HydrophobicContact CE1-CG 3.51Å; Y89-M91 HydrophobicContact CE1-SD 3.51Å; Y89-M91 VanDerWaalsContact CE1-SD 3.51Å; Y89-M151 PolarHBondContact N-O 3.13Å; Y89-M151 VanDerWaalsContact N-O 3.11Å; Y89-M151 PolarHBondContact O-N 3.25Å
90I88.5Confident82.8Confident63 Ų6366.9 Ų66.932%0.32332%0.32SS..EExtended strand (participates in β ladder)trans-128.7135.4-177-62.7137.1000109L84 F87 L149 L150L84-I90 HydrophobicContact CB-CD1 4.44Å; L84-I90 HydrophobicContact CD2-CD1 3.45Å; L84-I90 VanDerWaalsContact CD2-CD1 3.45Å; L84-I90 HydrophobicContact CD2-CG1 4.2Å; L84-I90 HydrophobicContact CD2-CG2 4.37Å; F87-I90 HydrophobicContact CB-CG1 4.49Å; I90-L149 CarbonylContact C-O 3.51Å; I90-L149 VanDerWaalsContact CA-O 3.25Å; I90-L149 WeakPolarHBondContact CA-O 3.42Å; I90-L150 HydrophobicContact CG1-CB 4.48Å; I90-L150 HydrophobicContact CG1-CD2 4.26Å; I90-L150 HydrophobicContact CG1-CG 4.2Å
91M91.1Very high83Confident13 Ų1366.4 Ų66.46%0.06431%0.313CS..EExtended strand (participates in β ladder)trans-129144.5174.3-62.5-169.4-75.500110.3L41 Y89 F124 L127 Y148 L149L41-M91 HydrophobicContact CD1-CE 3.86Å; L41-M91 HydrophobicContact CD2-CE 4.13Å; L41-M91 HydrophobicContact CG-CE 4.28Å; Y89-M91 HydrophobicContact CD1-CE 4.39Å; Y89-M91 HydrophobicContact CD1-CG 4.16Å; Y89-M91 HydrophobicContact CE1-CE 3.75Å; Y89-M91 HydrophobicContact CE1-CG 3.51Å; Y89-M91 HydrophobicContact CE1-SD 3.51Å; Y89-M91 VanDerWaalsContact CE1-SD 3.51Å; M91-F124 HydrophobicContact CB-CB 4.08Å; M91-F124 HydrophobicContact CB-CD1 3.5Å; M91-F124 VanDerWaalsContact CB-CD1 3.5Å; M91-F124 HydrophobicContact CB-CE1 4.14Å; M91-F124 HydrophobicContact CB-CG 3.89Å; M91-F124 HydrophobicContact CE-CD2 4.36Å; M91-F124 HydrophobicContact CE-CG 4.46Å; M91-F124 HydrophobicContact SD-CB 4.13Å; M91-F124 HydrophobicContact SD-CG 4.32Å; M91-L127 HydrophobicContact SD-CD1 3.73Å; M91-Y148 CarbonylContact O-C 3.59Å; M91-Y148 WeakPolarHBondContact O-CA 3.33Å; M91-L149 HydrophobicContact CB-CB 4.36Å; M91-L149 HydrophobicContact CE-CD1 3.86Å; M91-L149 HydrophobicContact CE-CD2 3.7Å; M91-L149 HydrophobicContact CE-CG 4.25Å; M91-L149 PolarHBondContact N-O 2.78Å; M91-L149 PolarHBondContact O-N 3.29Å
92Y90.4Very high82.5Confident114 Ų11473.4 Ų73.445%0.44735%0.345SS..EExtended strand (participates in β ladder)trans-112.7133.9172.4174-105.5000109.7F124 N146 Y148Y92-F124 VanDerWaalsContact C-CD1 3.44Å; Y92-N146 HydrophobicContact CE2-CB 3.89Å; Y92-N146 PolarHBondContact OH-ND2 3.19Å; Y92-N146 PolarHBondContact OH-OD1 3.38Å; Y92-Y148 AromaticContact CD2-CD1 3.83Å; Y92-Y148 HydrophobicContact CD2-CD1 3.83Å; Y92-Y148 HydrophobicContact CD2-CD2 4.31Å; Y92-Y148 AromaticContact CD2-CE1 3.28Å; Y92-Y148 HydrophobicContact CD2-CE1 3.28Å; Y92-Y148 AromaticContact CD2-CE2 3.82Å; Y92-Y148 HydrophobicContact CD2-CE2 3.82Å; Y92-Y148 HydrophobicContact CD2-CG 4.31Å; Y92-Y148 AromaticContact CD2-CZ 3.28Å; Y92-Y148 HydrophobicContact CE2-CE1 4.08Å; Y92-Y148 AromaticContact CE2-CE2 3.91Å; Y92-Y148 HydrophobicContact CE2-CE2 3.91Å; Y92-Y148 AromaticContact CE2-CZ 3.58Å; Y92-Y148 WeakPolarHBondContact CE2-OH 3.23Å; Y92-Y148 HydrophobicContact CG-CD1 4.49Å; Y92-Y148 AromaticContact CG-CE1 3.96Å; Y92-Y148 HydrophobicContact CG-CE1 3.96Å
93G91.8Very high81.6Confident6 Ų671.3 Ų71.36%0.06235%0.345CS..EExtended strand (participates in β ladder)trans-160.3-172.3-173.800000112.6S123 V147G93-S123 CarbonylContact C-O 3.59Å; G93-S123 WeakPolarHBondContact CA-O 3.2Å; G93-V147 PolarHBondContact N-O 3.41Å; G93-V147 PolarHBondContact O-N 3.05Å
94K91.6Very high80.6Confident88 Ų8874.2 Ų74.238%0.38337%0.372SS..EExtended strand (participates in β ladder)trans-135.5137.2-176.1-171.4171.8173.5-175.30110.7Y96 A122 S123 D144 S145K94-Y96 PolarHBondContact O-N 3.16Å; K94-A122 WeakPolarHBondContact O-CA 3.41Å; K94-S123 PolarHBondContact N-O 2.79Å; K94-S123 PolarHBondContact O-N 3.04Å; K94-D144 VanDerWaalsContact CE-C 3.48Å; K94-D144 VanDerWaalsContact CE-O 3.23Å; K94-D144 WeakPolarHBondContact CE-O 3.06Å; K94-D144 WeakPolarHBondContact CE-OD1 3.34Å; K94-D144 IonicContact NZ-OD1 3.69Å; K94-D144 PolarHBondContact NZ-OD1 2.9Å; K94-S145 WeakPolarHBondContact CA-O 3.04Å; K94-S145 WeakPolarHBondContact CG-O 3.42Å
95V92.5Very high79.1Confident0 Ų074.6 Ų74.60%039%0.386CS..EExtended strand (participates in β ladder)trans-76.5118.7172.1-178.10000108I98 I120 A122 F141 E142 D144 S145 V147V95-I98 HydrophobicContact CG1-CD1 4.03Å; V95-I98 HydrophobicContact CG1-CG1 3.79Å; V95-I120 HydrophobicContact CG1-CG2 3.96Å; V95-A122 HydrophobicContact CG2-CB 4.4Å; V95-F141 HydrophobicContact CG2-CD1 3.99Å; V95-E142 WeakPolarHBondContact CB-O 3.47Å; V95-D144 WeakPolarHBondContact O-CA 3.25Å; V95-D144 PolarHBondContact O-N 2.91Å; V95-S145 PolarHBondContact N-O 3.11Å; V95-V147 HydrophobicContact CG2-CB 4.36Å; V95-V147 HydrophobicContact CG2-CG1 4.05Å
96Y92.8Very high77.6Confident104 Ų10474.2 Ų74.241%0.40839%0.394SS..EExtended strand (participates in β ladder)trans-109.6-19.9-174.772-91.1000113.1K94 Y121 L128K94-Y96 PolarHBondContact O-N 3.16Å; Y96-Y121 WeakPolarHBondContact CD1-O 3.5Å; Y96-Y121 VanDerWaalsContact CE1-CB 3.47Å; Y96-Y121 PolarHBondContact N-O 2.84Å; Y96-Y121 WeakPolarHBondContact OH-CB 3.41Å; Y96-L128 HydrophobicContact CE1-CD2 4.44Å
97R90.2Very high75.8Confident127 Ų12777.8 Ų77.848%0.47941%0.413SS..EExtended strand (participates in β ladder)trans-151.4136.6-178.2-174.5-179.9-173.5158.9-0.3110E99 Y121R97-E99 HydrophobicContact CG-CG 4.05Å; R97-E99 IonicContact CZ-OE1 3.07Å; R97-E99 VanDerWaalsContact NE-CD 3.34Å; R97-E99 IonicContact NE-OE1 2.91Å; R97-E99 PolarHBondContact NE-OE1 2.99Å; R97-E99 IonicContact NE-OE2 4Å; R97-E99 IonicContact NH2-OE1 2.61Å; R97-E99 PolarHBondContact NH2-OE1 2.93Å; R97-Y121 HydrophobicContact CB-CD2 4Å; R97-Y121 HydrophobicContact CB-CG 4.4Å; R97-Y121 HydrophobicContact CG-CD2 4Å; R97-Y121 HydrophobicContact CG-CE2 4.47Å; R97-Y121 PolarHBondContact N-O 3.35Å; R97-Y121 PolarHBondContact O-N 3.05Å
98I89.4Confident73.9Confident50 Ų5080.2 Ų80.226%0.25643%0.433SS..EExtended strand (participates in β ladder)trans-129.8126.8170.6-56.9178.7000105.8V95 V118 I120 F141 I143V95-I98 HydrophobicContact CG1-CD1 4.03Å; V95-I98 HydrophobicContact CG1-CG1 3.79Å; I98-V118 HydrophobicContact CG2-CG1 3.79Å; I98-I120 HydrophobicContact CG1-CG1 4.22Å; I98-I120 HydrophobicContact CG2-CG1 4.08Å; I98-F141 HydrophobicContact CD1-CB 3.93Å; I98-F141 WeakPolarHBondContact CD1-O 3.49Å; I98-I143 HydrophobicContact CB-CD1 4.47Å; I98-I143 HydrophobicContact CB-CG1 4.17Å; I98-I143 HydrophobicContact CD1-CG1 3.85Å; I98-I143 HydrophobicContact CG1-CG1 3.83Å
99E87.3Confident72.2Confident67 Ų6783.7 Ų83.731%0.31346%0.455SS..EExtended strand (participates in β ladder)trans-117.8115.4176.9-60.1-171.7129.600108.3R97 V118 S119 Y121R97-E99 HydrophobicContact CG-CG 4.05Å; R97-E99 IonicContact CZ-OE1 3.07Å; R97-E99 VanDerWaalsContact NE-CD 3.34Å; R97-E99 IonicContact NE-OE1 2.91Å; R97-E99 PolarHBondContact NE-OE1 2.99Å; R97-E99 IonicContact NE-OE2 4Å; R97-E99 IonicContact NH2-OE1 2.61Å; R97-E99 PolarHBondContact NH2-OE1 2.93Å; E99-V118 CarbonylContact O-C 3.48Å; E99-V118 WeakPolarHBondContact O-CA 3.31Å; E99-S119 PolarHBondContact N-O 3.45Å; E99-S119 PolarHBondContact O-N 2.95Å; E99-Y121 HydrophobicContact CG-CE2 3.99Å; E99-Y121 VanDerWaalsContact OE2-CE2 3.27Å; E99-Y121 WeakPolarHBondContact OE2-CE2 3.44Å; E99-Y121 PolarHBondContact OE2-OH 2.83Å
100S80.6Confident70.2Confident64 Ų6490.2 Ų90.245%0.44848%0.48SS..EExtended strand (participates in β ladder)trans-90.5122164.245.20000108E102S100-E102 PolarHBondContact O-N 3.16Å
101D67.6Low68.1Low94 Ų9495.8 Ų95.850%0.50350%0.498SS..  trans-78.777.2172.8-158.70.5000108.6S103 V117D101-S103 PolarHBondContact O-N 2.97Å; D101-S103 WeakPolarHBondContact OD1-CB 3.43Å; D101-S103 PolarHBondContact OD1-N 3.08Å; D101-S103 PolarHBondContact OD1-OG 3.29Å; D101-V117 PolarHBondContact N-O 3.33Å
102E56Low65.8Low161 Ų161103 Ų10375%0.75254%0.537SS*.G310 helixtrans-73.7-0.4171.9-62.1-170.9141.900111.5S100 A104S100-E102 PolarHBondContact O-N 3.16Å; E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 2.93Å
103S49.9Very low63.8Low89 Ų89106.4 Ų106.462%0.62255%0.554SS**G310 helixtrans-80.23-168-21.80000115.3D101 G105D101-S103 PolarHBondContact O-N 2.97Å; D101-S103 WeakPolarHBondContact OD1-CB 3.43Å; D101-S103 PolarHBondContact OD1-N 3.08Å; D101-S103 PolarHBondContact OD1-OG 3.29Å; S103-G105 VanDerWaalsContact C-N 3.33Å
104A46.3Very low62Low79 Ų79110.7 Ų110.765%0.65358%0.579SS**G310 helixtrans-898.7174.200000114E102 V114E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 2.93Å; A104-V114 HydrophobicContact CB-CG1 4.27Å
105G39.8Very low60.4Low49 Ų49111.2 Ų111.251%0.50559%0.586SS.*  trans-146.338.7-170.300000116.4S103 D107S103-G105 VanDerWaalsContact C-N 3.33Å; G105-D107 PolarHBondContact O-N 2.87Å
106T41.6Very low59.4Low136 Ų136113.5 Ų113.583%0.83461%0.605SS**SBendtrans-78.18.3172.6-29.70000113.9
107D43.3Very low58.9Low163 Ų163110.9 Ų110.987%0.87260%0.6SS**SBendtrans-153.819.7178.6-14619.4000116.4G105G105-D107 PolarHBondContact O-N 2.87Å
108S45.8Very low58.9Low75 Ų75105.5 Ų105.552%0.52458%0.581SS.*  trans-121.983.9-175.1-149.40000113Y110S108-Y110 PolarHBondContact O-N 2.82Å; S108-Y110 PolarHBondContact OG-O 2.78Å
109L49.9Very low58.9Low190 Ų190103.8 Ų103.8100%0.99557%0.573SS**SBendtrans-65.828.9158.4-98.2168.1000112.5
110Y47.3Very low59.1Low163 Ų163100.6 Ų100.664%0.63956%0.558SS**SBendtrans-155.7119.7-170.8-157.7-111000107.4S108S108-Y110 PolarHBondContact O-N 2.82Å; S108-Y110 PolarHBondContact OG-O 2.78Å
111Y45.5Very low59.8Low179 Ų17999.7 Ų99.770%0.70255%0.546SS*.  trans90.489.9-174-56.9-70.6000117.2F113Y111-F113 PolarHBondContact O-N 2.94Å
112D43Very low61Low164 Ų16495.2 Ų95.288%0.87752%0.522SS*.SBendtrans-70.934171.6-160.117.7000113.8
113F47.5Very low62.8Low186 Ų18689.3 Ų89.382%0.81650%0.498SS*.  trans-161.962.6-175.3-111.3-82000111.1Y111Y111-F113 PolarHBondContact O-N 2.94Å
114V53Low64.9Low97 Ų9785.6 Ų85.659%0.58847%0.471SS*.  trans-102114.4164.2-167.10000106.3A104 A116A104-V114 HydrophobicContact CB-CG1 4.27Å; V114-A116 PolarHBondContact O-N 2.78Å
115D59.3Low66.9Low99 Ų9986 Ų8653%0.52948%0.483SS..  trans-57.7100.8176.9-67.3-40.9000108.4V117D115-V117 PolarHBondContact O-N 3.16Å; D115-V117 VanDerWaalsContact O-N 3.1Å
116A71.9Confident69.2Low47 Ų4786.3 Ų86.339%0.38849%0.486SS..  trans-69.3109.8-179.700000108.2V114 A135V114-A116 PolarHBondContact O-N 2.78Å; A116-A135 HydrophobicContact CB-CB 4.21Å; A116-A135 WeakPolarHBondContact O-CB 3.31Å; A116-A135 PolarHBondContact O-N 2.83Å
117V82.2Confident71.6Confident49 Ų4981.5 Ų81.530%0.29746%0.455SS..EExtended strand (participates in β ladder)trans-80.5128.2176.6-178.70000108.8D101 D115 Q132D101-V117 PolarHBondContact N-O 3.33Å; D115-V117 PolarHBondContact O-N 3.16Å; D115-V117 VanDerWaalsContact O-N 3.1Å; V117-Q132 HydrophobicContact CG1-CG 3.63Å
118V89Confident73.9Confident15 Ų1577 Ų779%0.09143%0.43CS..EExtended strand (participates in β ladder)trans-115135.4177.7179.80000108.9I98 E99 I120 Q132 G133 A135 M138I98-V118 HydrophobicContact CG2-CG1 3.79Å; E99-V118 CarbonylContact O-C 3.48Å; E99-V118 WeakPolarHBondContact O-CA 3.31Å; V118-I120 HydrophobicContact CG1-CG1 4.21Å; V118-Q132 VanDerWaalsContact O-CA 3.32Å; V118-Q132 WeakPolarHBondContact O-CA 3.49Å; V118-G133 PolarHBondContact N-O 2.85Å; V118-G133 PolarHBondContact O-N 3Å; V118-A135 HydrophobicContact CG2-CB 3.6Å; V118-M138 HydrophobicContact CB-CB 4.31Å; V118-M138 HydrophobicContact CB-CG 4.4Å; V118-M138 HydrophobicContact CG1-CB 4.32Å
119S90.5Very high76.2Confident13 Ų1373.5 Ų73.59%0.09141%0.406CS..EExtended strand (participates in β ladder)trans-113.8115.6174.3-59.20000110E99 L131 Q132E99-S119 PolarHBondContact N-O 3.45Å; E99-S119 PolarHBondContact O-N 2.95Å; S119-L131 CarbonylContact C-O 3.6Å; S119-L131 WeakPolarHBondContact CA-O 3.31Å; S119-Q132 WeakPolarHBondContact OG-CG 3.38Å
120I91.9Very high78.3Confident0 Ų068.1 Ų68.10%037%0.372CS..EExtended strand (participates in β ladder)trans-103.5134.5177.5-67.1149.2000109.1V95 I98 V118 R130 L131 M138 F141V95-I120 HydrophobicContact CG1-CG2 3.96Å; I98-I120 HydrophobicContact CG1-CG1 4.22Å; I98-I120 HydrophobicContact CG2-CG1 4.08Å; V118-I120 HydrophobicContact CG1-CG1 4.21Å; I120-R130 CarbonylContact O-C 3.54Å; I120-R130 WeakPolarHBondContact O-CA 3.41Å; I120-L131 HydrophobicContact CB-CB 4.47Å; I120-L131 PolarHBondContact N-O 3.46Å; I120-L131 PolarHBondContact O-N 3.25Å; I120-M138 HydrophobicContact CD1-CB 3.66Å; I120-M138 HydrophobicContact CD1-CG 3.83Å; I120-M138 HydrophobicContact CD1-SD 3.57Å; I120-M138 VanDerWaalsContact CD1-SD 3.57Å; I120-F141 HydrophobicContact CD1-CB 3.89Å; I120-F141 HydrophobicContact CD1-CD1 4.41Å; I120-F141 HydrophobicContact CD1-CD2 3.18Å; I120-F141 HydrophobicContact CD1-CE2 3.73Å; I120-F141 HydrophobicContact CD1-CG 3.57Å; I120-F141 HydrophobicContact CG1-CB 4.22Å; I120-F141 HydrophobicContact CG1-CD2 4.31Å; I120-F141 HydrophobicContact CG1-CG 4.25Å; I120-F141 HydrophobicContact CG2-CB 4.38Å; I120-F141 HydrophobicContact CG2-CD1 4.02Å; I120-F141 HydrophobicContact CG2-CG 4.11Å
121Y93.7Very high80.4Confident46 Ų4660.4 Ų60.418%0.1834%0.342CS..EExtended strand (participates in β ladder)trans-119126.7176.1-54.1-100.5000111Y96 R97 E99 M129 R130Y96-Y121 WeakPolarHBondContact CD1-O 3.5Å; Y96-Y121 VanDerWaalsContact CE1-CB 3.47Å; Y96-Y121 PolarHBondContact N-O 2.84Å; Y96-Y121 WeakPolarHBondContact OH-CB 3.41Å; R97-Y121 HydrophobicContact CB-CD2 4Å; R97-Y121 HydrophobicContact CB-CG 4.4Å; R97-Y121 HydrophobicContact CG-CD2 4Å; R97-Y121 HydrophobicContact CG-CE2 4.47Å; R97-Y121 PolarHBondContact N-O 3.35Å; R97-Y121 PolarHBondContact O-N 3.05Å; E99-Y121 HydrophobicContact CG-CE2 3.99Å; E99-Y121 VanDerWaalsContact OE2-CE2 3.27Å; E99-Y121 WeakPolarHBondContact OE2-CE2 3.44Å; E99-Y121 PolarHBondContact OE2-OH 2.83Å; Y121-M129 VanDerWaalsContact CA-O 3.28Å; Y121-M129 WeakPolarHBondContact CA-O 3.39Å; Y121-R130 HydrophobicContact CD1-CB 4Å; Y121-R130 HydrophobicContact CD1-CG 3.86Å; Y121-R130 HydrophobicContact CE1-CB 4.05Å; Y121-R130 HydrophobicContact CE1-CG 3.52Å
122A94Very high82.6Confident0 Ų054.6 Ų54.60%032%0.321CS..EExtended strand (participates in β ladder)trans-122.6153.7175.200000111.1K94 V95 F124 M129 V147K94-A122 WeakPolarHBondContact O-CA 3.41Å; V95-A122 HydrophobicContact CG2-CB 4.4Å; A122-F124 HydrophobicContact CB-CE2 3.98Å; A122-F124 HydrophobicContact CB-CZ 4.16Å; A122-M129 HydrophobicContact CB-CB 4.31Å; A122-M129 HydrophobicContact CB-CE 3.79Å; A122-M129 PolarHBondContact N-O 2.67Å; A122-M129 PolarHBondContact O-N 3.3Å; A122-V147 HydrophobicContact CB-CG1 4.17Å
123S94Very high84.7Confident37 Ų3746.9 Ų46.926%0.25928%0.281SS..EExtended strand (participates in β ladder)trans-125.2124.5176.7-179.30000110.1G93 K94G93-S123 CarbonylContact C-O 3.59Å; G93-S123 WeakPolarHBondContact CA-O 3.2Å; K94-S123 PolarHBondContact N-O 2.79Å; K94-S123 PolarHBondContact O-N 3.04Å
124F92.9Very high86.4Confident11 Ų1139.6 Ų39.65%0.04825%0.25CC..EExtended strand (participates in β ladder)trans-108.970.5178.6-58.2-86000109L41 M91 Y92 A122 G126 L127 M129 V147 L149L41-F124 HydrophobicContact CD1-CE2 4.47Å; M91-F124 HydrophobicContact CB-CB 4.08Å; M91-F124 HydrophobicContact CB-CD1 3.5Å; M91-F124 VanDerWaalsContact CB-CD1 3.5Å; M91-F124 HydrophobicContact CB-CE1 4.14Å; M91-F124 HydrophobicContact CB-CG 3.89Å; M91-F124 HydrophobicContact CE-CD2 4.36Å; M91-F124 HydrophobicContact CE-CG 4.46Å; M91-F124 HydrophobicContact SD-CB 4.13Å; M91-F124 HydrophobicContact SD-CG 4.32Å; Y92-F124 VanDerWaalsContact C-CD1 3.44Å; A122-F124 HydrophobicContact CB-CE2 3.98Å; A122-F124 HydrophobicContact CB-CZ 4.16Å; F124-G126 VanDerWaalsContact C-N 3.29Å; F124-G126 PolarHBondContact O-N 2.85Å; F124-L127 HydrophobicContact CB-CB 4.22Å; F124-L127 PolarHBondContact N-O 3.24Å; F124-L127 PolarHBondContact O-N 3.41Å; F124-M129 HydrophobicContact CD2-CB 4.34Å; F124-M129 HydrophobicContact CE2-CB 3.72Å; F124-M129 HydrophobicContact CE2-CG 4.43Å; F124-M129 HydrophobicContact CE2-SD 3.93Å; F124-M129 HydrophobicContact CZ-SD 4.21Å; F124-V147 HydrophobicContact CE1-CG1 4.01Å; F124-V147 HydrophobicContact CZ-CG1 4.05Å; F124-L149 HydrophobicContact CE1-CB 3.63Å; F124-L149 HydrophobicContact CE2-CB 4.44Å; F124-L149 HydrophobicContact CE2-CD1 4Å; F124-L149 HydrophobicContact CZ-CB 3.6Å; F124-L149 HydrophobicContact CZ-CD1 3.89Å; F124-L149 HydrophobicContact CZ-CG 4.42Å
125G87.5Confident87.7Confident87 Ų8736 Ų3690%0.89723%0.23SC*.THydrogen-bonded Turntrans64.828.4-179.900000114.6
126G88.7Confident88.5Confident56 Ų5636.8 Ų36.858%0.57724%0.235SC*.THydrogen-bonded Turntrans109.5-15.3-177.800000114.3F124F124-G126 VanDerWaalsContact C-N 3.29Å; F124-G126 PolarHBondContact O-N 2.85Å
127L91.4Very high88.6Confident34 Ų3439.1 Ų39.118%0.17823%0.234CC..EExtended strand (participates in β ladder)trans-80.1121.7166.8-61.3174.4000108.9V25 D42 M91 F124V25-L127 HydrophobicContact CB-CD2 4.46Å; V25-L127 HydrophobicContact CG1-CD2 3.6Å; V25-L127 HydrophobicContact CG2-CD2 3.94Å; D42-L127 HydrophobicContact CB-CB 4.07Å; D42-L127 HydrophobicContact CB-CD2 3.89Å; M91-L127 HydrophobicContact SD-CD1 3.73Å; F124-L127 HydrophobicContact CB-CB 4.22Å; F124-L127 PolarHBondContact N-O 3.24Å; F124-L127 PolarHBondContact O-N 3.41Å
128L93.4Very high88.2Confident69 Ų6937.2 Ų37.236%0.36122%0.222SC..EExtended strand (participates in β ladder)trans-93.9146.4-175.4-59.5179.1000111.3D42 Y96D42-L128 PolarHBondContact N-O 3.34Å; D42-L128 PolarHBondContact OD2-N 2.89Å; Y96-L128 HydrophobicContact CE1-CD2 4.44Å
129M94Very high87.4Confident2 Ų243.4 Ų43.41%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-126.7137.9170.5-176.5-175.186.100109.7L39 I40 L41 L60 Y121 A122 F124 L131 L149L39-M129 HydrophobicContact CD1-CG 3.58Å; L39-M129 HydrophobicContact CD1-SD 4.05Å; I40-M129 CarbonylContact O-C 3.51Å; I40-M129 VanDerWaalsContact O-CA 3.24Å; I40-M129 WeakPolarHBondContact O-CA 3.32Å; L41-M129 HydrophobicContact CD1-CB 3.73Å; L41-M129 HydrophobicContact CD1-CG 3.81Å; L41-M129 HydrophobicContact CD1-SD 4.28Å; L60-M129 HydrophobicContact CD1-CE 3.92Å; L60-M129 HydrophobicContact CD1-SD 4.35Å; L60-M129 HydrophobicContact CD2-CE 4.38Å; L60-M129 HydrophobicContact CD2-SD 4.22Å; Y121-M129 VanDerWaalsContact CA-O 3.28Å; Y121-M129 WeakPolarHBondContact CA-O 3.39Å; A122-M129 HydrophobicContact CB-CB 4.31Å; A122-M129 HydrophobicContact CB-CE 3.79Å; A122-M129 PolarHBondContact N-O 2.67Å; A122-M129 PolarHBondContact O-N 3.3Å; F124-M129 HydrophobicContact CD2-CB 4.34Å; F124-M129 HydrophobicContact CE2-CB 3.72Å; F124-M129 HydrophobicContact CE2-CG 4.43Å; F124-M129 HydrophobicContact CE2-SD 3.93Å; F124-M129 HydrophobicContact CZ-SD 4.21Å; M129-L131 HydrophobicContact CE-CB 4.37Å; M129-L149 HydrophobicContact SD-CD1 3.74Å
130R93Very high86.5Confident77 Ų7744.8 Ų44.829%0.29127%0.266SS..EExtended strand (participates in β ladder)trans-125.3120.1166.3-174.2-176.3103.8-167.28109L39 I40 I120 Y121L39-R130 CarbonylContact C-O 3.51Å; L39-R130 WeakPolarHBondContact CA-O 3.43Å; I40-R130 HydrophobicContact CB-CB 4.13Å; I40-R130 PolarHBondContact N-O 2.79Å; I40-R130 PolarHBondContact O-N 3.32Å; I120-R130 CarbonylContact O-C 3.54Å; I120-R130 WeakPolarHBondContact O-CA 3.41Å; Y121-R130 HydrophobicContact CD1-CB 4Å; Y121-R130 HydrophobicContact CD1-CG 3.86Å; Y121-R130 HydrophobicContact CE1-CB 4.05Å; Y121-R130 HydrophobicContact CE1-CG 3.52Å
131L91.8Very high85.9Confident1 Ų145.5 Ų45.51%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-113.5118174.8-172.974.3000108.1F6 F10 V37 L39 L60 S119 I120 M129 M138 F141F6-L131 HydrophobicContact CD2-CD2 4.36Å; F6-L131 HydrophobicContact CE2-CD2 4.42Å; F6-L131 HydrophobicContact CG-CD2 4.44Å; F10-L131 HydrophobicContact CE1-CD1 4.39Å; F10-L131 HydrophobicContact CZ-CD1 3.89Å; V37-L131 HydrophobicContact CG1-CD1 3.42Å; V37-L131 VanDerWaalsContact CG1-CD1 3.42Å; V37-L131 HydrophobicContact CG1-CG 3.92Å; L39-L131 HydrophobicContact CB-CD1 4.19Å; L39-L131 HydrophobicContact CD1-CB 4.43Å; L39-L131 HydrophobicContact CD1-CD1 3.91Å; L60-L131 HydrophobicContact CD1-CD2 4.12Å; S119-L131 CarbonylContact C-O 3.6Å; S119-L131 WeakPolarHBondContact CA-O 3.31Å; I120-L131 HydrophobicContact CB-CB 4.47Å; I120-L131 PolarHBondContact N-O 3.46Å; I120-L131 PolarHBondContact O-N 3.25Å; M129-L131 HydrophobicContact CE-CB 4.37Å; L131-M138 HydrophobicContact CD1-CE 4.37Å; L131-M138 HydrophobicContact CD2-CE 3.56Å; L131-M138 HydrophobicContact CD2-SD 3.48Å; L131-M138 WeakPolarHBondContact CD2-SD 3.22Å; L131-M138 HydrophobicContact CG-CE 3.53Å; L131-M138 HydrophobicContact CG-SD 4.07Å; L131-F141 HydrophobicContact CD2-CE2 4.2Å; L131-F141 HydrophobicContact CD2-CZ 4.21Å
132Q90.9Very high85.4Confident57 Ų5750.1 Ų50.127%0.26629%0.292SS..EExtended strand (participates in β ladder)trans-124.8124.2-177.1176.3179.917.200110.3V37 S38 V117 V118 S119V37-Q132 CarbonylContact C-O 3.54Å; V37-Q132 VanDerWaalsContact CA-O 3.27Å; V37-Q132 WeakPolarHBondContact CA-O 3.31Å; V37-Q132 WeakPolarHBondContact CG1-O 3.23Å; S38-Q132 PolarHBondContact N-O 2.48Å; S38-Q132 PolarHBondContact O-N 3.04Å; V117-Q132 HydrophobicContact CG1-CG 3.63Å; V118-Q132 VanDerWaalsContact O-CA 3.32Å; V118-Q132 WeakPolarHBondContact O-CA 3.49Å; S119-Q132 WeakPolarHBondContact OG-CG 3.38Å
133G87.8Confident85.1Confident2 Ų254.9 Ų54.92%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-175.6-169178.200000112.4V118V118-G133 PolarHBondContact N-O 2.85Å; V118-G133 PolarHBondContact O-N 3Å
134D83.6Confident84.7Confident32 Ų3258.1 Ų58.117%0.17133%0.331CS..EExtended strand (participates in β ladder)trans-66.3139.3-176.8-57.4-44.8000112N136 Y137D134-N136 PolarHBondContact O-N 2.82Å; D134-Y137 HydrophobicContact CB-CD2 4Å; D134-Y137 HydrophobicContact CB-CE2 4.23Å; D134-Y137 PolarHBondContact O-N 2.76Å
135A79.5Confident84.4Confident21 Ų2158.8 Ų58.817%0.17434%0.337CS..Hα-helixtrans-50.9-34.3-179.600000113.3A116 V118 Y137 M138 H139A116-A135 HydrophobicContact CB-CB 4.21Å; A116-A135 WeakPolarHBondContact O-CB 3.31Å; A116-A135 PolarHBondContact O-N 2.83Å; V118-A135 HydrophobicContact CG2-CB 3.6Å; A135-Y137 PolarHBondContact O-N 3.11Å; A135-Y137 VanDerWaalsContact O-N 3.15Å; A135-M138 PolarHBondContact O-N 2.63Å; A135-H139 PolarHBondContact O-CD2 2.99Å; A135-H139 PolarHBondContact O-N 3.15Å; A135-H139 PolarHBondContact O-NE2 2.93Å
136N77.2Confident84.4Confident116 Ų11657.9 Ų57.962%0.6231%0.312SS*.Hα-helixtrans-55.3-32.4180-67.6-34.9000113.4D134 H139D134-N136 PolarHBondContact O-N 2.82Å; N136-H139 WeakPolarHBondContact CA-NE2 3.27Å; N136-H139 PolarHBondContact O-CD2 2.63Å
137Y73.2Confident84.5Confident96 Ų9655.2 Ų55.238%0.37628%0.284SS..Hα-helixtrans-93.3-8.4179.8-56-66.7000113F35 D134 A135F35-Y137 HydrophobicContact CB-CE2 4.46Å; F35-Y137 HydrophobicContact CD1-CD1 4.11Å; F35-Y137 HydrophobicContact CD1-CD2 4.3Å; F35-Y137 AromaticContact CD1-CE1 3.48Å; F35-Y137 HydrophobicContact CD1-CE1 3.48Å; F35-Y137 VanDerWaalsContact CD1-CE1 3.48Å; F35-Y137 AromaticContact CD1-CE2 3.7Å; F35-Y137 HydrophobicContact CD1-CE2 3.7Å; F35-Y137 HydrophobicContact CD1-CG 4.48Å; F35-Y137 AromaticContact CD1-CZ 3.24Å; F35-Y137 WeakPolarHBondContact CD1-OH 3.34Å; F35-Y137 HydrophobicContact CE1-CD1 4.05Å; F35-Y137 AromaticContact CE1-CE1 3.27Å; F35-Y137 HydrophobicContact CE1-CE1 3.27Å; F35-Y137 HydrophobicContact CE1-CE2 4.35Å; F35-Y137 AromaticContact CE1-CZ 3.45Å; F35-Y137 VanDerWaalsContact CE1-CZ 3.45Å; F35-Y137 WeakPolarHBondContact CE1-OH 3.28Å; F35-Y137 HydrophobicContact CG-CD1 4.48Å; F35-Y137 HydrophobicContact CG-CD2 4.48Å; F35-Y137 HydrophobicContact CG-CE1 4.27Å; F35-Y137 HydrophobicContact CG-CE2 4.27Å; F35-Y137 HydrophobicContact CZ-CD1 4.38Å; F35-Y137 AromaticContact CZ-CE1 3.94Å; F35-Y137 HydrophobicContact CZ-CE1 3.94Å; D134-Y137 HydrophobicContact CB-CD2 4Å; D134-Y137 HydrophobicContact CB-CE2 4.23Å; D134-Y137 PolarHBondContact O-N 2.76Å; A135-Y137 PolarHBondContact O-N 3.11Å; A135-Y137 VanDerWaalsContact O-N 3.15Å
138M73.5Confident84.4Confident9 Ų955 Ų554%0.04428%0.281CS..Hα-helixtrans-110.55.3-168.8-61.3-52.6176.900113.6F6 V37 V118 I120 L131 A135 G140 F141F6-M138 HydrophobicContact CD2-SD 4.4Å; F6-M138 HydrophobicContact CE2-CE 4.18Å; F6-M138 HydrophobicContact CE2-SD 4.34Å; V37-M138 HydrophobicContact CG1-CE 3.65Å; V37-M138 HydrophobicContact CG2-CE 4Å; V118-M138 HydrophobicContact CB-CB 4.31Å; V118-M138 HydrophobicContact CB-CG 4.4Å; V118-M138 HydrophobicContact CG1-CB 4.32Å; I120-M138 HydrophobicContact CD1-CB 3.66Å; I120-M138 HydrophobicContact CD1-CG 3.83Å; I120-M138 HydrophobicContact CD1-SD 3.57Å; I120-M138 VanDerWaalsContact CD1-SD 3.57Å; L131-M138 HydrophobicContact CD1-CE 4.37Å; L131-M138 HydrophobicContact CD2-CE 3.56Å; L131-M138 HydrophobicContact CD2-SD 3.48Å; L131-M138 WeakPolarHBondContact CD2-SD 3.22Å; L131-M138 HydrophobicContact CG-CE 3.53Å; L131-M138 HydrophobicContact CG-SD 4.07Å; A135-M138 PolarHBondContact O-N 2.63Å; M138-G140 PolarHBondContact O-N 3.26Å; M138-G140 VanDerWaalsContact O-N 3.12Å; M138-F141 PolarHBondContact O-N 3.26Å; M138-F141 HydrophobicContact SD-CE2 4.18Å
139H71.8Confident84.3Confident145 Ų14551.7 Ų51.767%0.67126%0.264SS*.THydrogen-bonded Turntrans-64.9-15.2-173.3-74.4-64000116A135 N136A135-H139 PolarHBondContact O-CD2 2.99Å; A135-H139 PolarHBondContact O-N 3.15Å; A135-H139 PolarHBondContact O-NE2 2.93Å; N136-H139 WeakPolarHBondContact CA-NE2 3.27Å; N136-H139 PolarHBondContact O-CD2 2.63Å
140G72.9Confident84.1Confident42 Ų4251.6 Ų51.643%0.43326%0.263SS..THydrogen-bonded Turntrans-92.82.6-176.600000115.4M138M138-G140 PolarHBondContact O-N 3.26Å; M138-G140 VanDerWaalsContact O-N 3.12Å
141F80Confident84Confident15 Ų1548 Ų487%0.06625%0.25CS..  trans-93.2128.5179.1-67.9-84.4000111.4I5 F6 L60 V95 I98 I120 L131 M138 V147I5-F141 HydrophobicContact CB-CZ 4.37Å; I5-F141 HydrophobicContact CG2-CD1 4.15Å; I5-F141 HydrophobicContact CG2-CD2 3.65Å; I5-F141 HydrophobicContact CG2-CE1 3.9Å; I5-F141 HydrophobicContact CG2-CE2 3.39Å; I5-F141 HydrophobicContact CG2-CG 4.04Å; I5-F141 HydrophobicContact CG2-CZ 3.51Å; F6-F141 HydrophobicContact CB-CE2 4.29Å; F6-F141 HydrophobicContact CB-CZ 4.09Å; L60-F141 HydrophobicContact CB-CE1 4.32Å; L60-F141 HydrophobicContact CB-CZ 4.13Å; L60-F141 HydrophobicContact CD1-CE1 3.86Å; L60-F141 HydrophobicContact CD1-CZ 3.44Å; L60-F141 VanDerWaalsContact CD1-CZ 3.44Å; L60-F141 HydrophobicContact CG-CZ 4.39Å; V95-F141 HydrophobicContact CG2-CD1 3.99Å; I98-F141 HydrophobicContact CD1-CB 3.93Å; I98-F141 WeakPolarHBondContact CD1-O 3.49Å; I120-F141 HydrophobicContact CD1-CB 3.89Å; I120-F141 HydrophobicContact CD1-CD1 4.41Å; I120-F141 HydrophobicContact CD1-CD2 3.18Å; I120-F141 HydrophobicContact CD1-CE2 3.73Å; I120-F141 HydrophobicContact CD1-CG 3.57Å; I120-F141 HydrophobicContact CG1-CB 4.22Å; I120-F141 HydrophobicContact CG1-CD2 4.31Å; I120-F141 HydrophobicContact CG1-CG 4.25Å; I120-F141 HydrophobicContact CG2-CB 4.38Å; I120-F141 HydrophobicContact CG2-CD1 4.02Å; I120-F141 HydrophobicContact CG2-CG 4.11Å; L131-F141 HydrophobicContact CD2-CE2 4.2Å; L131-F141 HydrophobicContact CD2-CZ 4.21Å; M138-F141 PolarHBondContact O-N 3.26Å; M138-F141 HydrophobicContact SD-CE2 4.18Å; F141-V147 HydrophobicContact CE1-CG2 4.46Å
142E82.7Confident84Confident143 Ų14351.5 Ų51.567%0.66827%0.265SS*.  trans-113.6142.2172.8-67.2-177.5170.500110.1V95 S145V95-E142 WeakPolarHBondContact CB-O 3.47Å; E142-S145 VanDerWaalsContact O-CB 3.31Å; E142-S145 WeakPolarHBondContact O-CB 3.39Å; E142-S145 PolarHBondContact O-N 3.4Å; E142-S145 PolarHBondContact O-OG 3.46Å
143I86.9Confident83.9Confident100 Ų10051.8 Ų51.851%0.51327%0.267SS..THydrogen-bonded Turntrans-62.5141.3170.6-61.5173.7000108I98 S145I98-I143 HydrophobicContact CB-CD1 4.47Å; I98-I143 HydrophobicContact CB-CG1 4.17Å; I98-I143 HydrophobicContact CD1-CG1 3.85Å; I98-I143 HydrophobicContact CG1-CG1 3.83Å; I143-S145 PolarHBondContact O-N 3.03Å
144D86.4Confident83.9Confident106 Ų10654.1 Ų54.157%0.56728%0.28SS*.THydrogen-bonded Turntrans65.812.3-176.1-73.6-44.5000115.5K94 V95K94-D144 VanDerWaalsContact CE-C 3.48Å; K94-D144 VanDerWaalsContact CE-O 3.23Å; K94-D144 WeakPolarHBondContact CE-O 3.06Å; K94-D144 WeakPolarHBondContact CE-OD1 3.34Å; K94-D144 IonicContact NZ-OD1 3.69Å; K94-D144 PolarHBondContact NZ-OD1 2.9Å; V95-D144 WeakPolarHBondContact O-CA 3.25Å; V95-D144 PolarHBondContact O-N 2.91Å
145S86.1Confident83.3Confident24 Ų2455 Ų5517%0.16830%0.297CS..  trans-82145.3172.565.90000112.9K94 V95 E142 I143K94-S145 WeakPolarHBondContact CA-O 3.04Å; K94-S145 WeakPolarHBondContact CG-O 3.42Å; V95-S145 PolarHBondContact N-O 3.11Å; E142-S145 VanDerWaalsContact O-CB 3.31Å; E142-S145 WeakPolarHBondContact O-CB 3.39Å; E142-S145 PolarHBondContact O-N 3.4Å; E142-S145 PolarHBondContact O-OG 3.46Å; I143-S145 PolarHBondContact O-N 3.03Å
146N87.9Confident82Confident69 Ų6962.8 Ų62.837%0.36935%0.35SS..EExtended strand (participates in β ladder)trans-74137.1170.2-66.5-19.1000109.6Y92Y92-N146 HydrophobicContact CE2-CB 3.89Å; Y92-N146 PolarHBondContact OH-ND2 3.19Å; Y92-N146 PolarHBondContact OH-OD1 3.38Å
147V90Very high82.3Confident0 Ų060.1 Ų60.10%034%0.337CS..EExtended strand (participates in β ladder)trans-135.7133.5179.563.60000110.7L60 G93 V95 A122 F124 F141L60-V147 HydrophobicContact CB-CG2 4.09Å; L60-V147 HydrophobicContact CD2-CG2 4.03Å; G93-V147 PolarHBondContact N-O 3.41Å; G93-V147 PolarHBondContact O-N 3.05Å; V95-V147 HydrophobicContact CG2-CB 4.36Å; V95-V147 HydrophobicContact CG2-CG1 4.05Å; A122-V147 HydrophobicContact CB-CG1 4.17Å; F124-V147 HydrophobicContact CE1-CG1 4.01Å; F124-V147 HydrophobicContact CZ-CG1 4.05Å; F141-V147 HydrophobicContact CE1-CG2 4.46Å
148Y89.3Confident82.8Confident28 Ų2858.2 Ų58.211%0.1134%0.335CS..EExtended strand (participates in β ladder)trans-99.5123.2168.7-68.8-84.4000109L60 S61 L64 E71 M91 Y92L60-Y148 VanDerWaalsContact CA-O 3.31Å; L60-Y148 WeakPolarHBondContact CA-O 3.21Å; S61-Y148 PolarHBondContact N-O 2.93Å; S61-Y148 WeakPolarHBondContact O-CB 3.31Å; S61-Y148 PolarHBondContact O-N 3.43Å; L64-Y148 HydrophobicContact CD1-CD1 3.55Å; L64-Y148 HydrophobicContact CD1-CE1 3.35Å; L64-Y148 HydrophobicContact CD1-CE2 4.48Å; L64-Y148 HydrophobicContact CD1-CG 4.19Å; L64-Y148 HydrophobicContact CD2-CD1 3.96Å; L64-Y148 HydrophobicContact CD2-CG 3.95Å; L64-Y148 HydrophobicContact CG-CD1 3.63Å; L64-Y148 HydrophobicContact CG-CD2 4.01Å; L64-Y148 HydrophobicContact CG-CE1 3.78Å; L64-Y148 HydrophobicContact CG-CE2 4.15Å; L64-Y148 HydrophobicContact CG-CG 3.73Å; E71-Y148 WeakPolarHBondContact OE1-CE2 3.43Å; E71-Y148 WeakPolarHBondContact OE2-CE2 3.27Å; E71-Y148 PolarHBondContact OE2-OH 3.09Å; M91-Y148 CarbonylContact O-C 3.59Å; M91-Y148 WeakPolarHBondContact O-CA 3.33Å; Y92-Y148 AromaticContact CD2-CD1 3.83Å; Y92-Y148 HydrophobicContact CD2-CD1 3.83Å; Y92-Y148 HydrophobicContact CD2-CD2 4.31Å; Y92-Y148 AromaticContact CD2-CE1 3.28Å; Y92-Y148 HydrophobicContact CD2-CE1 3.28Å; Y92-Y148 AromaticContact CD2-CE2 3.82Å; Y92-Y148 HydrophobicContact CD2-CE2 3.82Å; Y92-Y148 HydrophobicContact CD2-CG 4.31Å; Y92-Y148 AromaticContact CD2-CZ 3.28Å; Y92-Y148 HydrophobicContact CE2-CE1 4.08Å; Y92-Y148 AromaticContact CE2-CE2 3.91Å; Y92-Y148 HydrophobicContact CE2-CE2 3.91Å; Y92-Y148 AromaticContact CE2-CZ 3.58Å; Y92-Y148 WeakPolarHBondContact CE2-OH 3.23Å; Y92-Y148 HydrophobicContact CG-CD1 4.49Å; Y92-Y148 AromaticContact CG-CE1 3.96Å; Y92-Y148 HydrophobicContact CG-CE1 3.96Å
149L91.4Very high83.3Confident0 Ų060.9 Ų60.90%035%0.351CS..EExtended strand (participates in β ladder)trans-98.1121.5168.7-177.7158000108.4L41 I58 L60 I90 M91 F124 M129 M151L41-L149 HydrophobicContact CD1-CD1 3.69Å; L41-L149 HydrophobicContact CD2-CD1 3.92Å; L41-L149 HydrophobicContact CD2-CD2 4.49Å; L41-L149 HydrophobicContact CG-CD1 4.48Å; I58-L149 HydrophobicContact CG2-CD1 4.43Å; I58-L149 HydrophobicContact CG2-CG 4.17Å; L60-L149 HydrophobicContact CD2-CB 3.68Å; L60-L149 HydrophobicContact CD2-CD1 4.01Å; L60-L149 HydrophobicContact CD2-CG 3.83Å; I90-L149 CarbonylContact C-O 3.51Å; I90-L149 VanDerWaalsContact CA-O 3.25Å; I90-L149 WeakPolarHBondContact CA-O 3.42Å; M91-L149 HydrophobicContact CB-CB 4.36Å; M91-L149 HydrophobicContact CE-CD1 3.86Å; M91-L149 HydrophobicContact CE-CD2 3.7Å; M91-L149 HydrophobicContact CE-CG 4.25Å; M91-L149 PolarHBondContact N-O 2.78Å; M91-L149 PolarHBondContact O-N 3.29Å; F124-L149 HydrophobicContact CE1-CB 3.63Å; F124-L149 HydrophobicContact CE2-CB 4.44Å; F124-L149 HydrophobicContact CE2-CD1 4Å; F124-L149 HydrophobicContact CZ-CB 3.6Å; F124-L149 HydrophobicContact CZ-CD1 3.89Å; F124-L149 HydrophobicContact CZ-CG 4.42Å; M129-L149 HydrophobicContact SD-CD1 3.74Å; L149-M151 HydrophobicContact CD2-CB 3.97Å
150L90.4Very high84Confident0 Ų056 Ų560%033%0.332CS..EExtended strand (participates in β ladder)trans-114.6129.6173.6-5492.3000108.3I58 M59 L64 R83 F87 I90I58-L150 WeakPolarHBondContact CA-O 3.39Å; M59-L150 HydrophobicContact CB-CB 4.38Å; M59-L150 PolarHBondContact N-O 3.25Å; M59-L150 PolarHBondContact O-N 3.47Å; L64-L150 HydrophobicContact CD2-CD1 4.42Å; L64-L150 HydrophobicContact CD2-CD2 4.16Å; R83-L150 HydrophobicContact CB-CD2 4.14Å; F87-L150 HydrophobicContact CB-CB 3.92Å; F87-L150 HydrophobicContact CB-CD2 4.27Å; F87-L150 VanDerWaalsContact CD1-C 3.45Å; F87-L150 HydrophobicContact CD1-CB 3.47Å; F87-L150 VanDerWaalsContact CD1-CB 3.47Å; F87-L150 HydrophobicContact CD2-CB 3.98Å; F87-L150 HydrophobicContact CD2-CD2 3.84Å; F87-L150 HydrophobicContact CE1-CB 3.84Å; F87-L150 HydrophobicContact CE2-CB 4.31Å; F87-L150 HydrophobicContact CE2-CD2 4.3Å; F87-L150 HydrophobicContact CG-CB 3.53Å; F87-L150 HydrophobicContact CG-CD2 4.08Å; F87-L150 HydrophobicContact CG-CG 4.47Å; F87-L150 HydrophobicContact CZ-CB 4.24Å; I90-L150 HydrophobicContact CG1-CB 4.48Å; I90-L150 HydrophobicContact CG1-CD2 4.26Å; I90-L150 HydrophobicContact CG1-CG 4.2Å
151M91.3Very high84.6Confident2 Ų256.9 Ų56.91%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-128.8137.9-176.2-178.9179.5167.800110.5L41 Y48 V50 F56 R57 I58 E88 Y89 L149L41-M151 HydrophobicContact CD2-SD 4.48Å; Y48-M151 HydrophobicContact CD1-CE 4.02Å; Y48-M151 HydrophobicContact CE1-CE 3.53Å; Y48-M151 HydrophobicContact CE1-SD 4.32Å; V50-M151 HydrophobicContact CG2-CE 4.17Å; F56-M151 HydrophobicContact CB-CE 3.89Å; F56-M151 HydrophobicContact CB-CG 4.35Å; F56-M151 HydrophobicContact CD1-CE 3.23Å; F56-M151 HydrophobicContact CD1-CG 4.42Å; F56-M151 HydrophobicContact CD2-CE 3.93Å; F56-M151 HydrophobicContact CE1-CE 3.65Å; F56-M151 HydrophobicContact CE2-CE 4.29Å; F56-M151 HydrophobicContact CG-CE 3.38Å; F56-M151 HydrophobicContact CZ-CE 4.16Å; R57-M151 WeakPolarHBondContact O-CA 3.45Å; I58-M151 HydrophobicContact CG1-CB 4.38Å; I58-M151 HydrophobicContact CG1-CG 4.1Å; E88-M151 PolarHBondContact N-O 3.36Å; Y89-M151 PolarHBondContact N-O 3.13Å; Y89-M151 VanDerWaalsContact N-O 3.11Å; Y89-M151 PolarHBondContact O-N 3.25Å; L149-M151 HydrophobicContact CD2-CB 3.97Å
152K91.1Very high85Confident74 Ų7459.7 Ų59.732%0.32234%0.343SS..EExtended strand (participates in β ladder)trans-137.7131.1-178.8-177.1-173.9-170.9136.90109.6F56 R57 N86 F87 V154F56-K152 WeakPolarHBondContact CA-O 3.46Å; R57-K152 PolarHBondContact N-O 3.36Å; R57-K152 PolarHBondContact O-N 2.8Å; N86-K152 VanDerWaalsContact O-CD 3.27Å; N86-K152 WeakPolarHBondContact O-CD 3.49Å; N86-K152 WeakPolarHBondContact O-CE 3.39Å; N86-K152 PolarHBondContact O-NZ 3.16Å; F87-K152 HydrophobicContact CD1-CB 3.73Å; F87-K152 HydrophobicContact CE1-CB 4.2Å; F87-K152 HydrophobicContact CG-CB 4.41Å; K152-V154 PolarHBondContact O-N 3.2Å
153H89.4Confident85.1Confident64 Ų6453.7 Ų53.730%0.29632%0.32SS..EExtended strand (participates in β ladder)trans-68.3128.7171.6-178.5-103.5000109.9Y48 F56 E88 G155Y48-H153 WeakPolarHBondContact OH-CB 3.33Å; Y48-H153 PolarHBondContact OH-N 3.08Å; F56-H153 HydrophobicContact CD1-CB 4.09Å; F56-H153 HydrophobicContact CE1-CB 3.93Å; F56-H153 AromaticContact CE1-CD2 3.44Å; F56-H153 VanDerWaalsContact CE1-CD2 3.44Å; F56-H153 WeakPolarHBondContact CE1-CD2 3.39Å; F56-H153 AromaticContact CZ-CD2 3.83Å; E88-H153 WeakPolarHBondContact OE2-CB 3.26Å; E88-H153 PolarHBondContact OE2-N 3.05Å; E88-H153 VanDerWaalsContact OE2-N 3.16Å; H153-G155 PolarHBondContact ND1-N 3.26Å
154V86.8Confident85Confident50 Ų5050.2 Ų50.230%0.30331%0.305SS..EExtended strand (participates in β ladder)trans-98.698.1171.1-178.80000106L9 K55 R57 K152 S156L9-V154 HydrophobicContact CD2-CG2 3.69Å; K55-V154 HydrophobicContact CB-CB 4.26Å; K55-V154 PolarHBondContact O-N 2.66Å; R57-V154 HydrophobicContact CB-CG2 3.92Å; K152-V154 PolarHBondContact O-N 3.2Å; V154-S156 PolarHBondContact O-N 2.91Å
155G72.8Confident84.9Confident52 Ų5245.5 Ų45.554%0.53628%0.283SS..  trans-55126.4171.700000109.6H153H153-G155 PolarHBondContact ND1-N 3.26Å
156S52.1Low84.8Confident183 Ų18347.5 Ų47.5100%1.2829%0.293SS*.  trans-63.90169.7-1780000112V154V154-S156 PolarHBondContact O-N 2.91Å

Retrieved 156 of 156 residues in 219.7 ms (Link to these results)

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