A0A087XDF1_POEFO Loading...

Cannabinoid receptor interacting protein 1b

AlphaFold DB , UniProt , Accession A0A087XDF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 162 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M51Low84.9Confident229 Ų22977 Ų77100%1.12841%0.408SS*.  0125.10-79.4174.2173.900106.3D3M1-D3 PolarHBondContact O-N 3.32Å
2A57.5Low86Confident58 Ų5870.6 Ų70.648%0.47937%0.374SS..  trans-64.7136.7174.500000108.9V4A2-V4 PolarHBondContact O-N 3.48Å; A2-V4 VanDerWaalsContact O-N 3.12Å
3D75.2Confident87Confident149 Ų14966.7 Ų66.780%0.79736%0.356SS*.  trans-69.4107.9172.6-91.9-38.6000108.2M1 P5M1-D3 PolarHBondContact O-N 3.32Å; D3-P5 WeakPolarHBondContact O-CD 3.15Å
4V80.6Confident87.8Confident20 Ų2062.3 Ų62.312%0.12133%0.332CS..  trans-66.2125.3171.7171.20000107.2A2 Q6 E111 A112 P147A2-V4 PolarHBondContact O-N 3.48Å; A2-V4 VanDerWaalsContact O-N 3.12Å; V4-Q6 PolarHBondContact O-N 3.2Å; V4-E111 HydrophobicContact CG2-CB 3.84Å; V4-E111 VanDerWaalsContact CG2-O 3.32Å; V4-E111 WeakPolarHBondContact CG2-O 3.33Å; V4-A112 HydrophobicContact CG1-CB 3.82Å; V4-P147 HydrophobicContact CG1-CB 4.12Å; V4-P147 HydrophobicContact CG1-CG 3.82Å
5P88.8Confident88.4Confident31 Ų3165.3 Ų65.320%0.20134%0.341CS..  trans-55.3139.9-180-25.132.7000112D3 I7 P54 V57D3-P5 WeakPolarHBondContact O-CD 3.15Å; P5-I7 PolarHBondContact O-N 3.46Å; P5-P54 HydrophobicContact CB-CG 3.8Å; P5-P54 HydrophobicContact CG-CG 3.3Å; P5-V57 HydrophobicContact CG-CG2 3.72Å
6Q91.6Very high89Confident155 Ų15563.4 Ų63.472%0.72433%0.331SS*.SBendtrans-66.5-25.1175.8-66.8-172.4-4.200112.8V4 K146V4-Q6 PolarHBondContact O-N 3.2Å; Q6-K146 WeakPolarHBondContact O-CG 3.15Å
7I96.1Very high89.4Confident84 Ų8462.2 Ų62.243%0.43132%0.324SS..  trans-127.6128.5178-60.2177.5000108.4P5 K9 E144 C145P5-I7 PolarHBondContact O-N 3.46Å; I7-K9 HydrophobicContact CG2-CG 4.48Å; I7-E144 HydrophobicContact CG2-CG 3.58Å; I7-C145 CarbonylContact C-O 3.6Å; I7-C145 WeakPolarHBondContact CA-O 3.43Å
8V97.6Very high89.8Confident0 Ų064.9 Ų64.90%035%0.347CS..EExtended strand (participates in β ladder)trans-120125.5173.8-176.90000107.8I10 V52 K53 V57 C145 P147 M154V8-I10 HydrophobicContact CG1-CG1 4.05Å; V8-V52 HydrophobicContact CG1-CG1 3.81Å; V8-K53 CarbonylContact C-O 3.56Å; V8-K53 WeakPolarHBondContact CA-O 3.12Å; V8-V57 HydrophobicContact CG1-CG1 4.06Å; V8-V57 HydrophobicContact CG1-CG2 4.39Å; V8-V57 HydrophobicContact CG2-CG1 4.43Å; V8-V57 HydrophobicContact CG2-CG2 3.96Å; V8-C145 PolarHBondContact N-O 2.92Å; V8-C145 WeakPolarHBondContact O-CA 3.36Å; V8-C145 WeakPolarHBondContact O-CB 3.44Å; V8-C145 PolarHBondContact O-N 2.58Å; V8-P147 HydrophobicContact CG2-CG 3.95Å; V8-M154 HydrophobicContact CB-CE 4.49Å; V8-M154 HydrophobicContact CB-SD 4.29Å; V8-M154 HydrophobicContact CG1-CE 4.36Å; V8-M154 HydrophobicContact CG1-SD 4.42Å; V8-M154 HydrophobicContact CG2-CE 4.3Å
9K98.3Very high90Very high107 Ų10768.3 Ų68.347%0.46537%0.365SS..EExtended strand (participates in β ladder)trans-101.3132.8172.2-61.2-176.6177-172.70109.6I7 V52 K53 Y143 E144I7-K9 HydrophobicContact CG2-CG 4.48Å; K9-V52 CarbonylContact O-C 3.54Å; K9-V52 WeakPolarHBondContact O-CA 3.3Å; K9-K53 HydrophobicContact CB-CB 4.26Å; K9-K53 PolarHBondContact N-O 2.81Å; K9-K53 PolarHBondContact O-N 2.85Å; K9-Y143 CarbonylContact C-O 3.55Å; K9-Y143 VanDerWaalsContact CA-O 3.24Å; K9-Y143 WeakPolarHBondContact CA-O 3.44Å; K9-E144 WeakPolarHBondContact CE-OE2 3.32Å; K9-E144 HydrophobicContact CG-CG 4.37Å; K9-E144 IonicContact NZ-OE2 2.66Å
10I98.7Very high90.3Very high1 Ų169 Ų691%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-125.9116-177.9-54.3170.3000107.8V8 I12 V50 V51 I107 F109 F115 E142 Y143 M154V8-I10 HydrophobicContact CG1-CG1 4.05Å; I10-I12 HydrophobicContact CG2-CD1 4.27Å; I10-I12 HydrophobicContact CG2-CG1 3.94Å; I10-V50 HydrophobicContact CG2-CG1 3.95Å; I10-V51 CarbonylContact C-O 3.59Å; I10-V51 WeakPolarHBondContact CA-O 3.33Å; I10-I107 HydrophobicContact CG2-CD1 4.04Å; I10-F109 HydrophobicContact CD1-CE2 4.03Å; I10-F109 HydrophobicContact CD1-CZ 3.67Å; I10-F109 HydrophobicContact CG1-CZ 4.22Å; I10-F115 HydrophobicContact CD1-CB 3.85Å; I10-F115 HydrophobicContact CD1-CD1 4.39Å; I10-F115 HydrophobicContact CD1-CD2 3.67Å; I10-F115 HydrophobicContact CD1-CE2 4.29Å; I10-F115 HydrophobicContact CD1-CG 3.71Å; I10-E142 CarbonylContact O-C 3.59Å; I10-E142 WeakPolarHBondContact O-CA 3.42Å; I10-Y143 PolarHBondContact N-O 3.32Å; I10-Y143 PolarHBondContact O-N 2.91Å; I10-M154 HydrophobicContact CD1-SD 4.19Å
11G98.6Very high90.5Very high13 Ų1367.6 Ų67.613%0.13436%0.364CS..EExtended strand (participates in β ladder)trans-102.6130.2169.600000109.9V50 V51 I141G11-V50 CarbonylContact O-C 3.59Å; G11-V50 WeakPolarHBondContact O-CA 3.29Å; G11-V51 PolarHBondContact N-O 2.83Å; G11-V51 PolarHBondContact O-N 3.38Å; G11-I141 WeakPolarHBondContact CA-O 3.47Å
12I98.6Very high92.6Very high0 Ų058.9 Ų58.90%033%0.329CS..EExtended strand (participates in β ladder)trans-122.3120.1178.3-50.3174.6000109.3I10 I48 E49 M62 I107 F115 W119 S140 I141 Y143I10-I12 HydrophobicContact CG2-CD1 4.27Å; I10-I12 HydrophobicContact CG2-CG1 3.94Å; I12-I48 HydrophobicContact CG2-CG2 3.88Å; I12-E49 WeakPolarHBondContact CA-O 3.45Å; I12-M62 HydrophobicContact CD1-CE 4.08Å; I12-M62 HydrophobicContact CG2-CE 4.15Å; I12-I107 HydrophobicContact CD1-CD1 3.83Å; I12-I107 HydrophobicContact CG1-CD1 4.42Å; I12-F115 HydrophobicContact CD1-CE1 4.2Å; I12-W119 HydrophobicContact CB-CH2 4.32Å; I12-W119 HydrophobicContact CB-CZ2 4.15Å; I12-W119 HydrophobicContact CD1-CZ2 3.91Å; I12-W119 HydrophobicContact CG2-CH2 3.65Å; I12-W119 HydrophobicContact CG2-CZ2 3.97Å; I12-S140 CarbonylContact O-C 3.54Å; I12-S140 WeakPolarHBondContact O-CA 3.33Å; I12-S140 WeakPolarHBondContact O-CB 3.49Å; I12-I141 PolarHBondContact N-O 3Å; I12-I141 PolarHBondContact O-N 3.35Å; I12-Y143 HydrophobicContact CD1-CD2 4.45Å; I12-Y143 HydrophobicContact CD1-CE2 4.01Å; I12-Y143 HydrophobicContact CG1-CE2 4.48Å
13S98.3Very high94.5Very high20 Ų2056.4 Ų56.414%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-117.3157.5175.273.10000111.7I48 E49 N139S13-I48 WeakPolarHBondContact O-CA 3.15Å; S13-E49 PolarHBondContact N-O 2.84Å; S13-E49 PolarHBondContact O-N 2.84Å; S13-E49 VanDerWaalsContact O-N 3.08Å; S13-E49 WeakPolarHBondContact OG-CB 3.5Å; S13-N139 WeakPolarHBondContact CB-O 3.5Å
14L97.9Very high95.5Very high5 Ų551.3 Ų51.33%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-132.8132.3-176.4-73.3148.1000110.1V23 I38 K47 I48 W119 F138L14-V23 HydrophobicContact CB-CB 4.08Å; L14-V23 HydrophobicContact CB-CG1 4.38Å; L14-V23 HydrophobicContact CB-CG2 3.76Å; L14-I38 HydrophobicContact CD1-CG2 4.32Å; L14-K47 WeakPolarHBondContact CA-O 3.4Å; L14-I48 HydrophobicContact CD2-CD1 4.05Å; L14-I48 HydrophobicContact CD2-CG1 3.48Å; L14-I48 VanDerWaalsContact CD2-CG1 3.48Å; L14-I48 HydrophobicContact CG-CG1 4.34Å; L14-W119 HydrophobicContact CD1-CH2 4.21Å; L14-W119 HydrophobicContact CD1-CZ3 3.88Å; L14-F138 HydrophobicContact CB-CD1 4.1Å; L14-F138 HydrophobicContact CB-CE1 4.05Å; L14-F138 HydrophobicContact CD1-CD1 4.14Å; L14-F138 HydrophobicContact CD1-CE1 3.62Å; L14-F138 HydrophobicContact CD1-CZ 3.97Å; L14-F138 HydrophobicContact CG-CE1 4.12Å
15K97.8Very high96.2Very high108 Ų10850.8 Ų50.847%0.4727%0.274SS..EExtended strand (participates in β ladder)trans-130.1137.8167-62.2-170.6-177.5178.80110.1N20 S21 Y46 K47K15-N20 HydrophobicContact CB-CB 4.37Å; K15-N20 HydrophobicContact CD-CB 4Å; K15-S21 WeakPolarHBondContact CA-O 3.46Å; K15-Y46 CarbonylContact O-C 3.48Å; K15-Y46 VanDerWaalsContact O-CA 3.32Å; K15-Y46 WeakPolarHBondContact O-CA 3.36Å; K15-K47 PolarHBondContact N-O 2.8Å; K15-K47 PolarHBondContact O-N 2.86Å
16M97.1Very high96.4Very high34 Ų3452 Ų5217%0.16728%0.277CS..EExtended strand (participates in β ladder)trans-78.5133.5177.1-178.6-178175.900110.2N20 S21 L41 Y46M16-N20 CarbonylContact O-C 3.52Å; M16-N20 WeakPolarHBondContact O-CA 3.24Å; M16-N20 PolarHBondContact O-N 3.12Å; M16-S21 WeakPolarHBondContact CB-OG 3.31Å; M16-S21 PolarHBondContact N-O 2.83Å; M16-S21 PolarHBondContact O-N 2.99Å; M16-L41 HydrophobicContact CE-CD1 3.68Å; M16-L41 HydrophobicContact SD-CD1 3.92Å; M16-Y46 HydrophobicContact CB-CD1 4.02Å; M16-Y46 HydrophobicContact CB-CE1 3.73Å; M16-Y46 HydrophobicContact CG-CE1 4.02Å
17L96.9Very high96.3Very high43 Ų4347.9 Ų47.923%0.22527%0.265CS..THydrogen-bonded Turntrans-93.1156.9179.1-70.8174.4000111.4K45 K47 Q86L17-K45 HydrophobicContact CB-CB 4.1Å; L17-K45 HydrophobicContact CD1-CB 4.32Å; L17-K45 PolarHBondContact N-O 3.23Å; L17-K47 HydrophobicContact CD1-CB 4.13Å; L17-K47 HydrophobicContact CD2-CB 4.04Å; L17-K47 HydrophobicContact CG-CB 4.03Å; L17-Q86 HydrophobicContact CD1-CG 4.01Å
18P95.4Very high95.9Very high112 Ų11244.7 Ų44.773%0.72725%0.249SC*.THydrogen-bonded Turncis-81.1-10.40.331.6-35.5000114.8N20P18-N20 VanDerWaalsContact C-N 3.3Å; P18-N20 PolarHBondContact O-N 3.5Å
19N93.8Very high95.4Very high129 Ų12946.5 Ų46.569%0.6927%0.267SS*.THydrogen-bonded Turntrans-82.8-5.4-164.3-38.335.2000113.8S21N19-S21 PolarHBondContact O-N 2.91Å
20N95.5Very high94.8Very high81 Ų8146.3 Ų46.343%0.43329%0.286SS..THydrogen-bonded Turntrans5437.3-166.7-65.7-51.6000112.9K15 M16 P18K15-N20 HydrophobicContact CB-CB 4.37Å; K15-N20 HydrophobicContact CD-CB 4Å; M16-N20 CarbonylContact O-C 3.52Å; M16-N20 WeakPolarHBondContact O-CA 3.24Å; M16-N20 PolarHBondContact O-N 3.12Å; P18-N20 VanDerWaalsContact C-N 3.3Å; P18-N20 PolarHBondContact O-N 3.5Å
21S94.6Very high94.2Very high41 Ų4154.4 Ų54.429%0.28732%0.316SS..EExtended strand (participates in β ladder)trans-72.4154.8179.451.30000111.6K15 M16 N19K15-S21 WeakPolarHBondContact CA-O 3.46Å; M16-S21 WeakPolarHBondContact CB-OG 3.31Å; M16-S21 PolarHBondContact N-O 2.83Å; M16-S21 PolarHBondContact O-N 2.99Å; N19-S21 PolarHBondContact O-N 2.91Å
22A95.4Very high93.6Very high46 Ų4656 Ų5638%0.3832%0.32SS..EExtended strand (participates in β ladder)trans-62.6140.6-177.700000111.9F24A22-F24 HydrophobicContact CB-CE2 3.87Å; A22-F24 HydrophobicContact CB-CZ 4Å; A22-F24 WeakPolarHBondContact O-CE2 3.46Å
23V97.1Very high92.9Very high5 Ų560 Ų603%0.0336%0.36CS..EExtended strand (participates in β ladder)trans-87.7154.3160.2173.60000108.1L14 I38 L40 Y46 F138L14-V23 HydrophobicContact CB-CB 4.08Å; L14-V23 HydrophobicContact CB-CG1 4.38Å; L14-V23 HydrophobicContact CB-CG2 3.76Å; V23-I38 HydrophobicContact CG1-CG2 3.89Å; V23-L40 HydrophobicContact CG1-CD2 3.93Å; V23-L40 HydrophobicContact CG2-CD2 4.45Å; V23-Y46 HydrophobicContact CG2-CD1 3.77Å; V23-Y46 HydrophobicContact CG2-CE1 3.69Å; V23-F138 HydrophobicContact CB-CB 4.14Å; V23-F138 HydrophobicContact CG1-CB 4.07Å; V23-F138 HydrophobicContact CG1-CG 4.36Å; V23-F138 VanDerWaalsContact O-CB 3.26Å; V23-F138 WeakPolarHBondContact O-CB 3.44Å; V23-F138 PolarHBondContact O-N 2.87Å
24F96.4Very high92.4Very high42 Ų4261.5 Ų61.518%0.18437%0.365CS..EExtended strand (participates in β ladder)trans-125.1154.7-177.4-65.8-98.5000110.7A22 K39 Q133 N136A22-F24 HydrophobicContact CB-CE2 3.87Å; A22-F24 HydrophobicContact CB-CZ 4Å; A22-F24 WeakPolarHBondContact O-CE2 3.46Å; F24-K39 WeakPolarHBondContact O-CB 3.34Å; F24-K39 PolarHBondContact O-N 3.14Å; F24-Q133 WeakPolarHBondContact CD1-O 3.36Å; F24-Q133 HydrophobicContact CD2-CB 3.99Å; F24-Q133 HydrophobicContact CD2-CG 4.01Å; F24-Q133 VanDerWaalsContact CE1-O 3.26Å; F24-Q133 WeakPolarHBondContact CE1-O 3.43Å; F24-Q133 HydrophobicContact CE2-CB 3.79Å; F24-Q133 HydrophobicContact CE2-CG 3.71Å; F24-Q133 WeakPolarHBondContact CG-O 3.38Å; F24-Q133 HydrophobicContact CZ-CB 4.14Å; F24-Q133 HydrophobicContact CZ-CG 4.43Å; F24-N136 CarbonylContact C-O 3.54Å; F24-N136 VanDerWaalsContact CA-O 3.25Å; F24-N136 WeakPolarHBondContact CA-O 3.2Å
25F95.2Very high92.1Very high9 Ų965.2 Ų65.24%0.03939%0.388CS..EExtended strand (participates in β ladder)trans-133.6163.6170.978.5-85.6000110.5R36 T37 N136 S137 F138 F161F25-R36 HydrophobicContact CD2-CB 4.34Å; F25-R36 HydrophobicContact CD2-CG 4.34Å; F25-R36 HydrophobicContact CE2-CG 4.41Å; F25-T37 CarbonylContact C-O 3.57Å; F25-T37 WeakPolarHBondContact CA-O 3.33Å; F25-T37 VanDerWaalsContact CB-O 3.28Å; F25-T37 WeakPolarHBondContact CB-O 3.38Å; F25-N136 HydrophobicContact CD1-CB 4.04Å; F25-N136 HydrophobicContact CE1-CB 3.5Å; F25-N136 VanDerWaalsContact CE1-CB 3.5Å; F25-N136 HydrophobicContact CE2-CB 4.17Å; F25-N136 HydrophobicContact CZ-CB 3.56Å; F25-N136 PolarHBondContact N-O 2.82Å; F25-N136 PolarHBondContact O-N 3.44Å; F25-S137 WeakPolarHBondContact CE1-O 3.27Å; F25-F138 HydrophobicContact CB-CD2 4.33Å; F25-F138 HydrophobicContact CD1-CB 4.09Å; F25-F138 HydrophobicContact CD1-CD2 4.14Å; F25-F161 HydrophobicContact CD2-CD1 4.39Å; F25-F161 HydrophobicContact CG-CD1 4.43Å
26K92.6Very high91.9Very high57 Ų5763.9 Ų63.925%0.24838%0.38CS..EExtended strand (participates in β ladder)trans-125.6145.5170.863.3172.2-50.8-152.90110.8D28 R36 T37K26-D28 WeakPolarHBondContact CD-OD1 3.33Å; K26-D28 WeakPolarHBondContact CE-OD1 3.39Å; K26-D28 IonicContact NZ-OD1 3.75Å; K26-D28 PolarHBondContact NZ-OD1 3.48Å; K26-R36 CarbonylContact O-C 3.55Å; K26-R36 VanDerWaalsContact O-CA 3.27Å; K26-R36 WeakPolarHBondContact O-CA 3.26Å; K26-T37 PolarHBondContact N-O 3.19Å; K26-T37 PolarHBondContact O-N 2.83Å
27S91.3Very high91.8Very high68 Ų6862.2 Ų62.248%0.47637%0.372SS..EExtended strand (participates in β ladder)trans-80.8117.6166.5-56.20000108.1T35S27-T35 CarbonylContact C-O 3.57Å
28D86.8Confident91.8Very high18 Ų1860.3 Ų60.310%0.09636%0.362CS..  trans-101.2-7.5178.9-78.6-56.9000112.8K26 R31 F32 T35 T37 R100K26-D28 WeakPolarHBondContact CD-OD1 3.33Å; K26-D28 WeakPolarHBondContact CE-OD1 3.39Å; K26-D28 IonicContact NZ-OD1 3.75Å; K26-D28 PolarHBondContact NZ-OD1 3.48Å; D28-R31 VanDerWaalsContact O-CB 3.31Å; D28-R31 WeakPolarHBondContact O-CB 3.43Å; D28-R31 PolarHBondContact O-N 2.9Å; D28-F32 HydrophobicContact CB-CD2 3.61Å; D28-F32 HydrophobicContact CB-CE2 4.03Å; D28-F32 WeakPolarHBondContact OD1-CE2 3.32Å; D28-T35 PolarHBondContact N-O 2.87Å; D28-T37 WeakPolarHBondContact OD2-CB 3.14Å; D28-T37 PolarHBondContact OD2-OG1 2.87Å; D28-R100 IonicContact OD1-NH2 3.81Å; D28-R100 IonicContact OD2-NE 3.62Å; D28-R100 IonicContact OD2-NH2 3.56Å
29G86.5Confident91.9Very high37 Ų3755.4 Ų55.438%0.38133%0.329SS..G310 helixtrans60.4-144.4-176.200000111.2R31 T35G29-R31 PolarHBondContact O-N 3.29Å; G29-T35 PolarHBondContact N-O 2.7Å; G29-T35 WeakPolarHBondContact O-CA 3.34Å
30A87.1Confident92.1Very high104 Ų10449.4 Ų49.486%0.8630%0.297SS*.G310 helixtrans-81.613.5-179.500000114.3F32A30-F32 VanDerWaalsContact C-N 3.35Å; A30-F32 PolarHBondContact O-N 3.07Å
31R85.2Confident92.2Very high170 Ų17046 Ų4664%0.64228%0.279SS*.G310 helixtrans-71-29.2-174.2-176.8177.3171.1176.51.2113.5D28 G29D28-R31 VanDerWaalsContact O-CB 3.31Å; D28-R31 WeakPolarHBondContact O-CB 3.43Å; D28-R31 PolarHBondContact O-N 2.9Å; G29-R31 PolarHBondContact O-N 3.29Å
32F87.1Confident92.3Very high48 Ų4845.1 Ų45.121%0.21127%0.272CS..SBendtrans-129.1-177.1-177.4-57-65.9000110.2D28 A30 Q34 G98 R100D28-F32 HydrophobicContact CB-CD2 3.61Å; D28-F32 HydrophobicContact CB-CE2 4.03Å; D28-F32 WeakPolarHBondContact OD1-CE2 3.32Å; A30-F32 VanDerWaalsContact C-N 3.35Å; A30-F32 PolarHBondContact O-N 3.07Å; F32-Q34 PolarHBondContact O-N 3.13Å; F32-G98 VanDerWaalsContact CE1-O 3.22Å; F32-G98 WeakPolarHBondContact CE1-O 3.5Å; F32-R100 HydrophobicContact CD1-CG 4.15Å; F32-R100 HydrophobicContact CD2-CG 3.96Å; F32-R100 HydrophobicContact CE1-CG 4.32Å; F32-R100 HydrophobicContact CE2-CG 4.16Å; F32-R100 HydrophobicContact CG-CG 3.97Å; F32-R100 HydrophobicContact CZ-CG 4.33Å
33G82.6Confident92.3Very high83 Ų8345.7 Ų45.786%0.85628%0.282SS*.SBendtrans-61.7-23.5-179.400000114.1
34Q88.8Confident92.2Very high51 Ų5145.9 Ų45.924%0.23828%0.284CS..SBendtrans-130.3156.8172.5-60.5-176.23.200112.1F32 R36 V118 Q120F32-Q34 PolarHBondContact O-N 3.13Å; Q34-R36 VanDerWaalsContact C-N 3.26Å; Q34-R36 PolarHBondContact O-N 3.26Å; Q34-V118 PolarHBondContact NE2-O 3.01Å; Q34-Q120 HydrophobicContact CB-CB 3.81Å; Q34-Q120 HydrophobicContact CG-CB 4.08Å; Q34-Q120 PolarHBondContact O-NE2 3.42Å
35T90.6Very high92.3Very high84 Ų8448.4 Ų48.452%0.51530%0.295SS..SBendtrans-76.1-14.1-174.761.20000113.8S27 D28 G29S27-T35 CarbonylContact C-O 3.57Å; D28-T35 PolarHBondContact N-O 2.87Å; G29-T35 PolarHBondContact N-O 2.7Å; G29-T35 WeakPolarHBondContact O-CA 3.34Å
36R93.3Very high92.4Very high79 Ų7948.2 Ų48.230%0.29829%0.294SS..EExtended strand (participates in β ladder)trans-134.8147.6-178.5-65174.6-171.6-110.7-0.4110.3F25 K26 Q34 Q120 F161F25-R36 HydrophobicContact CD2-CB 4.34Å; F25-R36 HydrophobicContact CD2-CG 4.34Å; F25-R36 HydrophobicContact CE2-CG 4.41Å; K26-R36 CarbonylContact O-C 3.55Å; K26-R36 VanDerWaalsContact O-CA 3.27Å; K26-R36 WeakPolarHBondContact O-CA 3.26Å; Q34-R36 VanDerWaalsContact C-N 3.26Å; Q34-R36 PolarHBondContact O-N 3.26Å; R36-Q120 WeakPolarHBondContact O-CB 3.3Å; R36-Q120 PolarHBondContact O-NE2 2.91Å; R36-F161 HydrophobicContact CB-CD1 4.46Å; R36-F161 HydrophobicContact CB-CE1 3.99Å; R36-F161 HydrophobicContact CB-CE2 4.23Å; R36-F161 HydrophobicContact CB-CZ 3.86Å
37T95.6Very high92.7Very high0 Ų049 Ų490%030%0.297CS..EExtended strand (participates in β ladder)trans-123.4123.6174.9-68.60000110F25 K26 D28 R100 Q120 K122F25-T37 CarbonylContact C-O 3.57Å; F25-T37 WeakPolarHBondContact CA-O 3.33Å; F25-T37 VanDerWaalsContact CB-O 3.28Å; F25-T37 WeakPolarHBondContact CB-O 3.38Å; K26-T37 PolarHBondContact N-O 3.19Å; K26-T37 PolarHBondContact O-N 2.83Å; D28-T37 WeakPolarHBondContact OD2-CB 3.14Å; D28-T37 PolarHBondContact OD2-OG1 2.87Å; T37-R100 VanDerWaalsContact CG2-CD 3.47Å; T37-R100 WeakPolarHBondContact OG1-CD 3.43Å; T37-R100 PolarHBondContact OG1-NE 2.97Å; T37-R100 VanDerWaalsContact OG1-NE 3.1Å; T37-Q120 CarbonylContact C-O 3.51Å; T37-Q120 VanDerWaalsContact CA-O 3.31Å; T37-Q120 WeakPolarHBondContact CA-O 3.3Å; T37-Q120 PolarHBondContact OG1-NE2 2.84Å; T37-K122 HydrophobicContact CG2-CB 3.58Å
38I97.1Very high93.1Very high2 Ų245.7 Ų45.71%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-77.9138.4168.2-53.2173.3000109L14 V23 L40 W119 Q120 V121 K122 F138 I141 F161L14-I38 HydrophobicContact CD1-CG2 4.32Å; V23-I38 HydrophobicContact CG1-CG2 3.89Å; I38-L40 HydrophobicContact CG2-CD2 4.08Å; I38-L40 HydrophobicContact CG2-CG 4.24Å; I38-W119 HydrophobicContact CD1-CB 4.1Å; I38-W119 HydrophobicContact CD1-CD2 3.57Å; I38-W119 HydrophobicContact CD1-CE3 3.51Å; I38-W119 HydrophobicContact CD1-CG 3.87Å; I38-W119 HydrophobicContact CD1-CZ3 4.14Å; I38-Q120 PolarHBondContact N-O 3.06Å; I38-V121 HydrophobicContact CB-CG2 4.41Å; I38-V121 CarbonylContact O-C 3.58Å; I38-V121 WeakPolarHBondContact O-CA 3.26Å; I38-K122 PolarHBondContact O-N 3.3Å; I38-F138 HydrophobicContact CD1-CE2 3.96Å; I38-F138 HydrophobicContact CD1-CZ 4.34Å; I38-F138 HydrophobicContact CG1-CD2 4.37Å; I38-F138 HydrophobicContact CG1-CE2 4.06Å; I38-I141 HydrophobicContact CD1-CD1 3.88Å; I38-F161 HydrophobicContact CG1-CE1 4.35Å
39K97.1Very high93.6Very high10 Ų1048.3 Ų48.34%0.04329%0.286CS..EExtended strand (participates in β ladder)trans-109.8120.4-178.9-58.6-176.6170.7-173.70110.2F24 Y124 H131 C132 W134F24-K39 WeakPolarHBondContact O-CB 3.34Å; F24-K39 PolarHBondContact O-N 3.14Å; K39-Y124 HydrophobicContact CB-CD2 4.27Å; K39-Y124 HydrophobicContact CB-CE2 3.86Å; K39-Y124 HydrophobicContact CD-CE2 3.89Å; K39-Y124 HydrophobicContact CG-CE2 3.84Å; K39-H131 PolarHBondContact NZ-O 3.24Å; K39-H131 VanDerWaalsContact NZ-O 3.07Å; K39-C132 WeakPolarHBondContact CB-O 3.46Å; K39-C132 WeakPolarHBondContact CD-O 3.39Å; K39-W134 WeakPolarHBondContact CE-O 3.23Å; K39-W134 PolarHBondContact NZ-O 2.96Å
40L97.8Very high94.2Very high3 Ų346.6 Ų46.62%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-124150.7178.7-57.9179.8000109.8V23 I38 Y46 Y87 V121 K122 F123 Y124V23-L40 HydrophobicContact CG1-CD2 3.93Å; V23-L40 HydrophobicContact CG2-CD2 4.45Å; I38-L40 HydrophobicContact CG2-CD2 4.08Å; I38-L40 HydrophobicContact CG2-CG 4.24Å; L40-Y46 HydrophobicContact CB-CE2 4.32Å; L40-Y46 HydrophobicContact CD2-CD1 4.13Å; L40-Y46 HydrophobicContact CD2-CE1 3.71Å; L40-Y46 HydrophobicContact CD2-CE2 4.21Å; L40-Y87 HydrophobicContact CD1-CE1 4.08Å; L40-V121 HydrophobicContact CB-CG1 4.31Å; L40-V121 HydrophobicContact CD1-CG1 3.88Å; L40-V121 HydrophobicContact CG-CG1 4Å; L40-K122 PolarHBondContact N-O 3.46Å; L40-F123 HydrophobicContact CB-CD1 3.87Å; L40-F123 HydrophobicContact CB-CE1 3.9Å; L40-F123 HydrophobicContact CD1-CE1 3.81Å; L40-F123 HydrophobicContact CD1-CZ 4.33Å; L40-F123 HydrophobicContact CG-CE1 4.45Å; L40-F123 CarbonylContact O-C 3.52Å; L40-F123 VanDerWaalsContact O-CA 3.31Å; L40-F123 WeakPolarHBondContact O-CA 3.26Å; L40-Y124 PolarHBondContact O-N 2.86Å
41L97.4Very high94.8Very high8 Ų843.4 Ų43.44%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-88.3144.5167.9-71.1176000108.8M16 S44 Y46 T89 Y124 Y126 R129 C132M16-L41 HydrophobicContact CE-CD1 3.68Å; M16-L41 HydrophobicContact SD-CD1 3.92Å; L41-S44 WeakPolarHBondContact CB-OG 3.36Å; L41-Y46 PolarHBondContact N-OH 2.79Å; L41-T89 PolarHBondContact O-OG1 2.93Å; L41-Y124 CarbonylContact C-O 3.53Å; L41-Y124 VanDerWaalsContact CA-O 3.29Å; L41-Y124 WeakPolarHBondContact CA-O 3.49Å; L41-Y126 HydrophobicContact CD1-CD2 4.04Å; L41-Y126 HydrophobicContact CD1-CE2 4.37Å; L41-R129 HydrophobicContact CD1-CB 4.1Å; L41-R129 HydrophobicContact CD2-CB 4.25Å; L41-C132 HydrophobicContact CD2-CB 3.92Å; L41-C132 HydrophobicContact CG-CB 4.35Å
42T96.5Very high95.4Very high23 Ų2335.3 Ų35.314%0.14121%0.207CC..THydrogen-bonded Turntrans-77.4152.8168.559.20000110.8S44 V92 H94 F123 Y124T42-S44 PolarHBondContact O-N 3.47Å; T42-S44 PolarHBondContact O-OG 3.22Å; T42-V92 WeakPolarHBondContact CB-O 3.39Å; T42-V92 WeakPolarHBondContact CG2-O 3.38Å; T42-H94 HydrophobicContact CG2-CB 3.95Å; T42-F123 HydrophobicContact CG2-CB 3.85Å; T42-Y124 PolarHBondContact N-O 2.86Å; T42-Y124 PolarHBondContact OG1-O 3.2Å
43G95.4Very high95.9Very high58 Ų5838 Ų3860%0.59822%0.219SC*.THydrogen-bonded Turntrans63.628.6178.800000113.3T89G43-T89 PolarHBondContact N-O 2.93Å; G43-T89 PolarHBondContact N-OG1 2.86Å; G43-T89 VanDerWaalsContact N-OG1 3.16Å
44S96.4Very high96.6Very high9 Ų936 Ų366%0.06319%0.191CC..  trans-126.5151.9-177.1-65.10000111.1L41 T42 T89L41-S44 WeakPolarHBondContact CB-OG 3.36Å; T42-S44 PolarHBondContact O-N 3.47Å; T42-S44 PolarHBondContact O-OG 3.22Å; S44-T89 PolarHBondContact N-OG1 2.83Å; S44-T89 PolarHBondContact O-N 2.95Å; S44-T89 PolarHBondContact O-OG1 2.84Å
45K97.8Very high96.9Very high96 Ų9633.6 Ų33.642%0.41718%0.18SC..EExtended strand (participates in β ladder)trans-103140.9178.3-71.9168.7173.3178.30110.6L17 Y87 D88L17-K45 HydrophobicContact CB-CB 4.1Å; L17-K45 HydrophobicContact CD1-CB 4.32Å; L17-K45 PolarHBondContact N-O 3.23Å; K45-Y87 WeakPolarHBondContact CA-O 3.43Å; K45-D88 WeakPolarHBondContact CE-OD2 3.5Å; K45-D88 HydrophobicContact CG-CB 4.42Å; K45-D88 IonicContact NZ-OD2 3.9Å
46Y98.3Very high97.1Very high4 Ų432.9 Ų32.92%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-125.1128179.5-65.5-86.7000109.7K15 M16 V23 L40 L41 Q86 Y87 T89K15-Y46 CarbonylContact O-C 3.48Å; K15-Y46 VanDerWaalsContact O-CA 3.32Å; K15-Y46 WeakPolarHBondContact O-CA 3.36Å; M16-Y46 HydrophobicContact CB-CD1 4.02Å; M16-Y46 HydrophobicContact CB-CE1 3.73Å; M16-Y46 HydrophobicContact CG-CE1 4.02Å; V23-Y46 HydrophobicContact CG2-CD1 3.77Å; V23-Y46 HydrophobicContact CG2-CE1 3.69Å; L40-Y46 HydrophobicContact CB-CE2 4.32Å; L40-Y46 HydrophobicContact CD2-CD1 4.13Å; L40-Y46 HydrophobicContact CD2-CE1 3.71Å; L40-Y46 HydrophobicContact CD2-CE2 4.21Å; L41-Y46 PolarHBondContact N-OH 2.79Å; Y46-Q86 WeakPolarHBondContact O-CA 3.33Å; Y46-Y87 HydrophobicContact CD2-CD1 4.24Å; Y46-Y87 PolarHBondContact N-O 2.94Å; Y46-Y87 PolarHBondContact O-N 3.21Å; Y46-T89 HydrophobicContact CD2-CG2 4.14Å; Y46-T89 HydrophobicContact CE2-CG2 3.9Å
47K98.4Very high97.2Very high73 Ų7329.4 Ų29.432%0.31717%0.17SC..EExtended strand (participates in β ladder)trans-76.5122.3162.2-177.2177.6179.7179.50107.4L14 K15 L17L14-K47 WeakPolarHBondContact CA-O 3.4Å; K15-K47 PolarHBondContact N-O 2.8Å; K15-K47 PolarHBondContact O-N 2.86Å; L17-K47 HydrophobicContact CD1-CB 4.13Å; L17-K47 HydrophobicContact CD2-CB 4.04Å; L17-K47 HydrophobicContact CG-CB 4.03Å
48I98.5Very high97.3Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-101.5134.7169.9-69.1168.1000107.5I12 S13 L14 V50 M62 V64 F69 T84 G85 Y87I12-I48 HydrophobicContact CG2-CG2 3.88Å; S13-I48 WeakPolarHBondContact O-CA 3.15Å; L14-I48 HydrophobicContact CD2-CD1 4.05Å; L14-I48 HydrophobicContact CD2-CG1 3.48Å; L14-I48 VanDerWaalsContact CD2-CG1 3.48Å; L14-I48 HydrophobicContact CG-CG1 4.34Å; I48-V50 HydrophobicContact CG2-CG2 3.85Å; I48-M62 HydrophobicContact CD1-SD 4.25Å; I48-M62 HydrophobicContact CG2-SD 3.83Å; I48-V64 HydrophobicContact CD1-CG2 4.04Å; I48-F69 HydrophobicContact CD1-CE1 4.32Å; I48-F69 HydrophobicContact CD1-CE2 4.14Å; I48-F69 HydrophobicContact CD1-CZ 3.49Å; I48-F69 VanDerWaalsContact CD1-CZ 3.49Å; I48-T84 CarbonylContact O-C 3.55Å; I48-T84 WeakPolarHBondContact O-CA 3.36Å; I48-G85 PolarHBondContact N-O 2.78Å; I48-G85 PolarHBondContact O-N 2.78Å; I48-Y87 HydrophobicContact CD1-CG 4.37Å
49E98.6Very high97.3Very high73 Ų7334.1 Ų34.134%0.34119%0.193SC..EExtended strand (participates in β ladder)trans-116131.4167.6-179.6-174.894.500108.8I12 S13 V51 V82 Y83 T84I12-E49 WeakPolarHBondContact CA-O 3.45Å; S13-E49 PolarHBondContact N-O 2.84Å; S13-E49 PolarHBondContact O-N 2.84Å; S13-E49 VanDerWaalsContact O-N 3.08Å; S13-E49 WeakPolarHBondContact OG-CB 3.5Å; E49-V51 HydrophobicContact CG-CG2 4.47Å; E49-V82 HydrophobicContact CG-CG1 3.61Å; E49-Y83 CarbonylContact C-O 3.58Å; E49-Y83 VanDerWaalsContact CA-O 3.3Å; E49-Y83 WeakPolarHBondContact CA-O 3.42Å; E49-T84 HydrophobicContact CB-CG2 4.31Å; E49-T84 HydrophobicContact CG-CG2 4.37Å
50V98.8Very high97.4Very high0 Ų036.8 Ų36.80%021%0.21CC..EExtended strand (participates in β ladder)trans-118.1116.3179.6-175.60000108I10 G11 I48 V52 M62 L71 Y83 I107I10-V50 HydrophobicContact CG2-CG1 3.95Å; G11-V50 CarbonylContact O-C 3.59Å; G11-V50 WeakPolarHBondContact O-CA 3.29Å; I48-V50 HydrophobicContact CG2-CG2 3.85Å; V50-V52 HydrophobicContact CG1-CG2 3.88Å; V50-M62 HydrophobicContact CG2-SD 4.1Å; V50-L71 HydrophobicContact CG2-CD1 4.29Å; V50-L71 HydrophobicContact CG2-CD2 3.96Å; V50-Y83 PolarHBondContact N-O 2.86Å; V50-Y83 PolarHBondContact O-N 2.79Å; V50-I107 HydrophobicContact CG1-CD1 4.02Å; V50-I107 HydrophobicContact CG2-CD1 4.43Å
51V98.6Very high97.4Very high37 Ų3737.9 Ų37.922%0.22422%0.218CC..EExtended strand (participates in β ladder)trans-101.9119.2174.9-177.20000108.3I10 G11 E49 V82I10-V51 CarbonylContact C-O 3.59Å; I10-V51 WeakPolarHBondContact CA-O 3.33Å; G11-V51 PolarHBondContact N-O 2.83Å; G11-V51 PolarHBondContact O-N 3.38Å; E49-V51 HydrophobicContact CG-CG2 4.47Å; V51-V82 HydrophobicContact CG2-CG1 4.39Å; V51-V82 HydrophobicContact CG2-CG2 4.25Å
52V98.5Very high97.4Very high0 Ų037.5 Ų37.50%022%0.216CC..EExtended strand (participates in β ladder)trans-113.8134.7-179.9-173.60000109.7V8 K9 V50 V57 A59 S80 V81 Y83 F109V8-V52 HydrophobicContact CG1-CG1 3.81Å; K9-V52 CarbonylContact O-C 3.54Å; K9-V52 WeakPolarHBondContact O-CA 3.3Å; V50-V52 HydrophobicContact CG1-CG2 3.88Å; V52-V57 HydrophobicContact CG1-CB 3.81Å; V52-V57 HydrophobicContact CG1-CG1 3.84Å; V52-A59 HydrophobicContact CG2-CB 4.48Å; V52-S80 CarbonylContact O-C 3.54Å; V52-S80 VanDerWaalsContact O-CA 3.29Å; V52-S80 WeakPolarHBondContact O-CA 3.44Å; V52-V81 HydrophobicContact CB-CG1 3.79Å; V52-V81 PolarHBondContact N-O 3.08Å; V52-V81 PolarHBondContact O-N 3.01Å; V52-Y83 HydrophobicContact CG2-CD2 4.28Å; V52-Y83 HydrophobicContact CG2-CE2 4.2Å; V52-F109 HydrophobicContact CG1-CE1 3.93Å; V52-F109 HydrophobicContact CG2-CE1 3.97Å; V52-F109 HydrophobicContact CG2-CZ 4.44Å
53K98Very high97.5Very high104 Ų10437.3 Ų37.345%0.45222%0.215SC..EExtended strand (participates in β ladder)trans-130.8136.7176-53.7-178.5178.9172.20110.2V8 K9 Q79V8-K53 CarbonylContact C-O 3.56Å; V8-K53 WeakPolarHBondContact CA-O 3.12Å; K9-K53 HydrophobicContact CB-CB 4.26Å; K9-K53 PolarHBondContact N-O 2.81Å; K9-K53 PolarHBondContact O-N 2.85Å; K53-Q79 WeakPolarHBondContact CB-O 3.45Å
54P97.1Very high97.7Very high42 Ų4234.7 Ų34.727%0.27319%0.188SC..SBendcis-76.3163.6-2.233.8-36.2000112.3P5 A56 V57 Q79P5-P54 HydrophobicContact CB-CG 3.8Å; P5-P54 HydrophobicContact CG-CG 3.3Å; P54-A56 PolarHBondContact O-N 2.86Å; P54-V57 HydrophobicContact CG-CG2 4.33Å; P54-V57 PolarHBondContact O-N 2.81Å; P54-V57 VanDerWaalsContact O-N 3.08Å; P54-Q79 WeakPolarHBondContact CA-O 3.27Å
55G96Very high97.6Very high1 Ų136.5 Ų36.51%0.0121%0.208CC..THydrogen-bonded Turntrans-67.7-5.9-173.400000115.6V57 K76 D77 P78 Q79G55-V57 VanDerWaalsContact C-N 3.27Å; G55-K76 WeakPolarHBondContact O-CE 3.2Å; G55-K76 PolarHBondContact O-NZ 2.98Å; G55-D77 WeakPolarHBondContact CA-O 3.31Å; G55-P78 PolarHBondContact N-O 2.86Å; G55-Q79 PolarHBondContact N-O 2.73Å
56A94.6Very high97.4Very high68 Ų6835 Ų3556%0.56222%0.219SC*.THydrogen-bonded Turntrans-68.7-25.7170.400000112.8P54P54-A56 PolarHBondContact O-N 2.86Å
57V95.6Very high97.3Very high7 Ų737.5 Ų37.54%0.04224%0.235CC..  trans-80.8122.5-177-177.40000110P5 V8 V52 P54 G55 V81 F109 A112P5-V57 HydrophobicContact CG-CG2 3.72Å; V8-V57 HydrophobicContact CG1-CG1 4.06Å; V8-V57 HydrophobicContact CG1-CG2 4.39Å; V8-V57 HydrophobicContact CG2-CG1 4.43Å; V8-V57 HydrophobicContact CG2-CG2 3.96Å; V52-V57 HydrophobicContact CG1-CB 3.81Å; V52-V57 HydrophobicContact CG1-CG1 3.84Å; P54-V57 HydrophobicContact CG-CG2 4.33Å; P54-V57 PolarHBondContact O-N 2.81Å; P54-V57 VanDerWaalsContact O-N 3.08Å; G55-V57 VanDerWaalsContact C-N 3.27Å; V57-V81 WeakPolarHBondContact O-CG1 3.33Å; V57-F109 HydrophobicContact CG1-CD1 3.46Å; V57-F109 VanDerWaalsContact CG1-CD1 3.46Å; V57-F109 HydrophobicContact CG1-CE1 3.8Å; V57-F109 HydrophobicContact CG1-CG 4.33Å; V57-A112 HydrophobicContact CG1-CB 4.26Å
58Q96.2Very high97.2Very high94 Ų9438.4 Ų38.444%0.43925%0.247SC..  trans-107.7119-173.1-61.9-179.324.800111.7Y83 F109 T110Q58-Y83 WeakPolarHBondContact CA-OH 3.37Å; Q58-F109 WeakPolarHBondContact O-CA 3.41Å; Q58-F109 WeakPolarHBondContact O-CB 3.37Å; Q58-F109 WeakPolarHBondContact O-CD1 3.42Å; Q58-T110 PolarHBondContact O-N 2.68Å
59A98Very high97.2Very high6 Ų639.2 Ų39.25%0.0525%0.25CS..EExtended strand (participates in β ladder)trans-91.8146.2171.500000110.4V52 L71 Y83 I107 Q108 F109V52-A59 HydrophobicContact CG2-CB 4.48Å; A59-L71 HydrophobicContact CB-CD1 3.81Å; A59-Y83 HydrophobicContact CB-CD2 4Å; A59-Y83 HydrophobicContact CB-CE2 3.71Å; A59-Y83 PolarHBondContact N-OH 2.93Å; A59-Y83 WeakPolarHBondContact O-CE1 3.2Å; A59-I107 HydrophobicContact CB-CG2 3.93Å; A59-Q108 CarbonylContact C-O 3.57Å; A59-Q108 WeakPolarHBondContact CA-O 3.23Å; A59-F109 HydrophobicContact CB-CD1 3.9Å; A59-F109 HydrophobicContact CB-CE1 3.71Å; A59-F109 HydrophobicContact CB-CZ 4.35Å
60T98.1Very high97.2Very high66 Ų6639.9 Ų39.941%0.40526%0.261SS..EExtended strand (participates in β ladder)trans-118.5-46-174.958.30000112.6L71 Q108T60-L71 PolarHBondContact O-N 2.87Å; T60-Q108 PolarHBondContact N-O 2.82Å; T60-Q108 WeakPolarHBondContact OG1-CB 3.39Å; T60-Q108 PolarHBondContact OG1-O 2.99Å
61S98.5Very high97.2Very high27 Ų2740.6 Ų40.619%0.18927%0.265CS..EExtended strand (participates in β ladder)trans-147.2161.1-17964.60000111.2F69 I107 Q108S61-F69 WeakPolarHBondContact CA-O 3.34Å; S61-F69 WeakPolarHBondContact CB-O 3.41Å; S61-I107 WeakPolarHBondContact O-CA 3.4Å; S61-Q108 PolarHBondContact O-N 2.93Å
62M98.6Very high97.2Very high0 Ų044.8 Ų44.80%028%0.282CS..EExtended strand (participates in β ladder)trans-131145.6173.9-178.7175.8-172.100109.6I12 I48 V50 V64 T68 F69 L71 I105 N106 I107 W119I12-M62 HydrophobicContact CD1-CE 4.08Å; I12-M62 HydrophobicContact CG2-CE 4.15Å; I48-M62 HydrophobicContact CD1-SD 4.25Å; I48-M62 HydrophobicContact CG2-SD 3.83Å; V50-M62 HydrophobicContact CG2-SD 4.1Å; M62-V64 HydrophobicContact CE-CG2 3.81Å; M62-V64 HydrophobicContact CG-CG2 4.3Å; M62-V64 HydrophobicContact SD-CG2 4.4Å; M62-T68 WeakPolarHBondContact O-CA 3.22Å; M62-F69 HydrophobicContact CB-CD2 4.42Å; M62-F69 HydrophobicContact CB-CE2 3.7Å; M62-F69 HydrophobicContact CB-CZ 3.8Å; M62-F69 HydrophobicContact CG-CE2 4.15Å; M62-F69 HydrophobicContact CG-CZ 3.78Å; M62-F69 PolarHBondContact N-O 3.01Å; M62-F69 PolarHBondContact O-N 2.86Å; M62-F69 HydrophobicContact SD-CE2 4.22Å; M62-F69 HydrophobicContact SD-CZ 3.93Å; M62-L71 HydrophobicContact CB-CD1 4.14Å; M62-L71 HydrophobicContact CB-CD2 4.2Å; M62-L71 HydrophobicContact CB-CG 4.12Å; M62-I105 HydrophobicContact CE-CG2 3.45Å; M62-I105 VanDerWaalsContact CE-CG2 3.45Å; M62-N106 CarbonylContact C-O 3.57Å; M62-N106 VanDerWaalsContact CA-O 3.23Å; M62-N106 WeakPolarHBondContact CA-O 3.38Å; M62-N106 WeakPolarHBondContact CG-O 3.47Å; M62-I107 HydrophobicContact CB-CG1 4.17Å; M62-I107 HydrophobicContact CE-CD1 4.49Å; M62-I107 HydrophobicContact CE-CG1 4.43Å; M62-I107 HydrophobicContact CG-CG1 3.82Å; M62-I107 HydrophobicContact SD-CD1 4.39Å; M62-I107 HydrophobicContact SD-CG1 4.19Å; M62-W119 HydrophobicContact CE-CH2 4.32Å
63S98.3Very high97.2Very high18 Ų1849.6 Ų49.613%0.12631%0.305CS..EExtended strand (participates in β ladder)trans-119.7133.9170.6-162.80000110.3V67 T68 I105 N106S63-V67 CarbonylContact C-O 3.52Å; S63-V67 VanDerWaalsContact CA-O 3.27Å; S63-V67 WeakPolarHBondContact CA-O 3.4Å; S63-V67 PolarHBondContact OG-O 3.2Å; S63-T68 WeakPolarHBondContact CB-OG1 3.34Å; S63-T68 PolarHBondContact OG-OG1 3.42Å; S63-I105 WeakPolarHBondContact O-CA 3.22Å; S63-N106 PolarHBondContact N-O 3.1Å; S63-N106 PolarHBondContact O-N 2.88Å
64V98.1Very high97.2Very high3 Ų349.6 Ų49.62%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-127110.7175.4179.90000108.5I48 M62 G66 V67 F69 Y87 V103 I105I48-V64 HydrophobicContact CD1-CG2 4.04Å; M62-V64 HydrophobicContact CE-CG2 3.81Å; M62-V64 HydrophobicContact CG-CG2 4.3Å; M62-V64 HydrophobicContact SD-CG2 4.4Å; V64-G66 PolarHBondContact O-N 2.86Å; V64-V67 PolarHBondContact N-O 3.11Å; V64-V67 PolarHBondContact O-N 3.47Å; V64-V67 VanDerWaalsContact O-N 3.08Å; V64-F69 HydrophobicContact CB-CE1 4.36Å; V64-F69 HydrophobicContact CG2-CE1 3.94Å; V64-F69 HydrophobicContact CG2-CZ 3.97Å; V64-Y87 HydrophobicContact CB-CD1 4.4Å; V64-Y87 HydrophobicContact CB-CD2 3.79Å; V64-Y87 HydrophobicContact CB-CE1 4.35Å; V64-Y87 HydrophobicContact CB-CE2 3.76Å; V64-Y87 HydrophobicContact CB-CG 4.13Å; V64-Y87 HydrophobicContact CG1-CD1 3.99Å; V64-Y87 HydrophobicContact CG1-CD2 4.13Å; V64-Y87 HydrophobicContact CG1-CE1 3.62Å; V64-Y87 HydrophobicContact CG1-CE2 3.8Å; V64-Y87 HydrophobicContact CG1-CG 4.23Å; V64-Y87 HydrophobicContact CG2-CG 4.49Å; V64-Y87 WeakPolarHBondContact O-CE2 3.31Å; V64-V103 HydrophobicContact CG1-CG1 3.78Å; V64-I105 HydrophobicContact CB-CD1 4.22Å; V64-I105 HydrophobicContact CG1-CD1 3.78Å; V64-I105 HydrophobicContact CG2-CD1 4.01Å
65G95.1Very high97.3Very high47 Ų4750.4 Ų50.449%0.48531%0.313SS..THydrogen-bonded Turntrans59.831179.100000113.8Q104G65-Q104 PolarHBondContact N-O 3.23Å
66G93.2Very high97.4Very high64 Ų6454.9 Ų54.966%0.6633%0.332SS*.THydrogen-bonded Turntrans90.2-6.3-177.800000114.9V64V64-G66 PolarHBondContact O-N 2.86Å
67V96.2Very high97.5Very high57 Ų5755.1 Ų55.135%0.34532%0.324SS..EExtended strand (participates in β ladder)trans-89.4111.7172.4-177.20000108.9S63 V64 Y87S63-V67 CarbonylContact C-O 3.52Å; S63-V67 VanDerWaalsContact CA-O 3.27Å; S63-V67 WeakPolarHBondContact CA-O 3.4Å; S63-V67 PolarHBondContact OG-O 3.2Å; V64-V67 PolarHBondContact N-O 3.11Å; V64-V67 PolarHBondContact O-N 3.47Å; V64-V67 VanDerWaalsContact O-N 3.08Å; V67-Y87 HydrophobicContact CB-CD2 4.12Å; V67-Y87 HydrophobicContact CB-CE2 3.85Å; V67-Y87 HydrophobicContact CG1-CD2 4.24Å; V67-Y87 HydrophobicContact CG1-CE2 4.37Å; V67-Y87 HydrophobicContact CG2-CE2 3.99Å
68T97.6Very high97.5Very high92 Ų9260 Ų6056%0.56436%0.356SS*.EExtended strand (participates in β ladder)trans-100.2134.1-179.9-58.60000111.2M62 S63M62-T68 WeakPolarHBondContact O-CA 3.22Å; S63-T68 WeakPolarHBondContact CB-OG1 3.34Å; S63-T68 PolarHBondContact OG-OG1 3.42Å
69F98.1Very high97.5Very high17 Ų1762.6 Ų62.68%0.07537%0.368CS..EExtended strand (participates in β ladder)trans-140.7152.1178.949.8-90.2000110.8I48 S61 M62 V64 L71 Q86 Y87I48-F69 HydrophobicContact CD1-CE1 4.32Å; I48-F69 HydrophobicContact CD1-CE2 4.14Å; I48-F69 HydrophobicContact CD1-CZ 3.49Å; I48-F69 VanDerWaalsContact CD1-CZ 3.49Å; S61-F69 WeakPolarHBondContact CA-O 3.34Å; S61-F69 WeakPolarHBondContact CB-O 3.41Å; M62-F69 HydrophobicContact CB-CD2 4.42Å; M62-F69 HydrophobicContact CB-CE2 3.7Å; M62-F69 HydrophobicContact CB-CZ 3.8Å; M62-F69 HydrophobicContact CG-CE2 4.15Å; M62-F69 HydrophobicContact CG-CZ 3.78Å; M62-F69 PolarHBondContact N-O 3.01Å; M62-F69 PolarHBondContact O-N 2.86Å; M62-F69 HydrophobicContact SD-CE2 4.22Å; M62-F69 HydrophobicContact SD-CZ 3.93Å; V64-F69 HydrophobicContact CB-CE1 4.36Å; V64-F69 HydrophobicContact CG2-CE1 3.94Å; V64-F69 HydrophobicContact CG2-CZ 3.97Å; F69-L71 HydrophobicContact CE2-CD2 4.38Å; F69-Q86 WeakPolarHBondContact CD1-O 3.28Å; F69-Q86 WeakPolarHBondContact CG-O 3.42Å; F69-Y87 HydrophobicContact CE1-CD2 4.12Å; F69-Y87 HydrophobicContact CE1-CG 4.37Å
70P98.4Very high97.5Very high88 Ų8863.3 Ų63.357%0.57137%0.373SS*.EExtended strand (participates in β ladder)trans-69.3152176.630-35.1000111.4
71L98.8Very high97.5Very high15 Ų1560.2 Ų60.28%0.07935%0.354CS..PPolyproline II helixtrans-102.8117.1170.1-75.3178.5000109.4V50 A59 T60 M62 F69 Y83 I107V50-L71 HydrophobicContact CG2-CD1 4.29Å; V50-L71 HydrophobicContact CG2-CD2 3.96Å; A59-L71 HydrophobicContact CB-CD1 3.81Å; T60-L71 PolarHBondContact O-N 2.87Å; M62-L71 HydrophobicContact CB-CD1 4.14Å; M62-L71 HydrophobicContact CB-CD2 4.2Å; M62-L71 HydrophobicContact CB-CG 4.12Å; F69-L71 HydrophobicContact CE2-CD2 4.38Å; L71-Y83 HydrophobicContact CB-CD1 4.14Å; L71-Y83 HydrophobicContact CB-CG 4.22Å; L71-I107 HydrophobicContact CD1-CG2 4.02Å
72E98.5Very high97.5Very high125 Ų12560 Ų6058%0.58435%0.351SS*.EExtended strand (participates in β ladder)trans-93.3120.8179.6-65.6179.3-176.800110.4Q74 Y83 T84E72-Q74 PolarHBondContact O-N 3.4Å; E72-Q74 PolarHBondContact O-NE2 2.96Å; E72-Q74 VanDerWaalsContact O-NE2 3.13Å; E72-Y83 CarbonylContact O-C 3.5Å; E72-Y83 VanDerWaalsContact O-CA 3.3Å; E72-Y83 WeakPolarHBondContact O-CA 3.28Å; E72-T84 PolarHBondContact N-O 2.89Å; E72-T84 PolarHBondContact O-N 2.66Å
73Q98.5Very high97.5Very high101 Ų10160.4 Ų60.447%0.47235%0.353SS..EExtended strand (participates in β ladder)trans-65.8124.6178.7-168.1-172.2-80.900110.5V81 Y83Q73-V81 HydrophobicContact CG-CG2 3.72Å; Q73-Y83 HydrophobicContact CB-CD1 3.9Å; Q73-Y83 HydrophobicContact CB-CE1 3.74Å; Q73-Y83 HydrophobicContact CG-CD1 4.37Å; Q73-Y83 HydrophobicContact CG-CE1 4.03Å
74Q98.3Very high97.6Very high104 Ų10460.2 Ų60.249%0.48635%0.351SS..EExtended strand (participates in β ladder)trans-97.6-40.9177.3-59.1-55.4-63.900111.8E72 V82 T84E72-Q74 PolarHBondContact O-N 3.4Å; E72-Q74 PolarHBondContact O-NE2 2.96Å; E72-Q74 VanDerWaalsContact O-NE2 3.13Å; Q74-V82 PolarHBondContact N-O 3.04Å; Q74-T84 VanDerWaalsContact CD-OG1 3.28Å; Q74-T84 HydrophobicContact CG-CG2 3.57Å; Q74-T84 WeakPolarHBondContact CG-OG1 3.47Å; Q74-T84 PolarHBondContact NE2-OG1 3.39Å
75S98.1Very high97.6Very high59 Ų5960.6 Ų60.641%0.41336%0.355SS..EExtended strand (participates in β ladder)trans-153.8155.4178.764.20000110.8V81 V82S75-V81 WeakPolarHBondContact O-CA 3.45Å; S75-V81 WeakPolarHBondContact O-CG2 3.37Å; S75-V82 PolarHBondContact N-O 3.36Å; S75-V82 PolarHBondContact O-N 3.03Å; S75-V82 WeakPolarHBondContact OG-CG2 3.39Å
76K98Very high97.7Very high95 Ų9563 Ų6341%0.41335%0.354SS..EExtended strand (participates in β ladder)trans-150.9132177.9179169.6171.9162.70110.5G55 V81G55-K76 WeakPolarHBondContact O-CE 3.2Å; G55-K76 PolarHBondContact O-NZ 2.98Å; K76-V81 HydrophobicContact CB-CB 4.33Å; K76-V81 HydrophobicContact CB-CG2 4.02Å; K76-V81 HydrophobicContact CD-CG2 4.36Å; K76-V81 HydrophobicContact CG-CB 4.21Å; K76-V81 HydrophobicContact CG-CG2 4.25Å
77D96.8Very high98Very high72 Ų7260.1 Ų60.139%0.38532%0.323SS..  trans-136.2176.716868.154.7000109G55 Q79 S80G55-D77 WeakPolarHBondContact CA-O 3.31Å; D77-Q79 PolarHBondContact O-N 3.22Å; D77-Q79 VanDerWaalsContact OD1-CA 3.26Å; D77-Q79 WeakPolarHBondContact OD1-CA 3.39Å; D77-Q79 VanDerWaalsContact OD1-CB 3.27Å; D77-Q79 WeakPolarHBondContact OD1-CB 2.95Å; D77-Q79 PolarHBondContact OD1-N 3.35Å; D77-S80 PolarHBondContact N-O 2.91Å; D77-S80 PolarHBondContact O-N 2.79Å; D77-S80 PolarHBondContact OD1-N 2.96Å; D77-S80 PolarHBondContact OD2-OG 2.87Å
78P96Very high98Very high111 Ų11159.1 Ų59.172%0.72132%0.316SS*.SBendtrans-62-28.3-180-26.636.8000114.7G55G55-P78 PolarHBondContact N-O 2.86Å
79Q96.7Very high98Very high148 Ų14854.7 Ų54.769%0.69229%0.289SS*.SBendtrans-85.1-32.3-178.2-60.8-61.8-50.200112.6K53 P54 G55 D77K53-Q79 WeakPolarHBondContact CB-O 3.45Å; P54-Q79 WeakPolarHBondContact CA-O 3.27Å; G55-Q79 PolarHBondContact N-O 2.73Å; D77-Q79 PolarHBondContact O-N 3.22Å; D77-Q79 VanDerWaalsContact OD1-CA 3.26Å; D77-Q79 WeakPolarHBondContact OD1-CA 3.39Å; D77-Q79 VanDerWaalsContact OD1-CB 3.27Å; D77-Q79 WeakPolarHBondContact OD1-CB 2.95Å; D77-Q79 PolarHBondContact OD1-N 3.35Å
80S97.9Very high97.8Very high21 Ų2161 Ų6115%0.14732%0.319CS..  trans-155.6157.2-175.469.90000114.4V52 D77V52-S80 CarbonylContact O-C 3.54Å; V52-S80 VanDerWaalsContact O-CA 3.29Å; V52-S80 WeakPolarHBondContact O-CA 3.44Å; D77-S80 PolarHBondContact N-O 2.91Å; D77-S80 PolarHBondContact O-N 2.79Å; D77-S80 PolarHBondContact OD1-N 2.96Å; D77-S80 PolarHBondContact OD2-OG 2.87Å
81V98.4Very high97.5Very high0 Ų060.9 Ų60.90%033%0.333CS..EExtended strand (participates in β ladder)trans-128.9138.3167.358.90000108.8V52 V57 Q73 S75 K76 Y83V52-V81 HydrophobicContact CB-CG1 3.79Å; V52-V81 PolarHBondContact N-O 3.08Å; V52-V81 PolarHBondContact O-N 3.01Å; V57-V81 WeakPolarHBondContact O-CG1 3.33Å; Q73-V81 HydrophobicContact CG-CG2 3.72Å; S75-V81 WeakPolarHBondContact O-CA 3.45Å; S75-V81 WeakPolarHBondContact O-CG2 3.37Å; K76-V81 HydrophobicContact CB-CB 4.33Å; K76-V81 HydrophobicContact CB-CG2 4.02Å; K76-V81 HydrophobicContact CD-CG2 4.36Å; K76-V81 HydrophobicContact CG-CB 4.21Å; K76-V81 HydrophobicContact CG-CG2 4.25Å; V81-Y83 HydrophobicContact CB-CE2 4.07Å; V81-Y83 HydrophobicContact CG1-CD2 4.32Å; V81-Y83 HydrophobicContact CG1-CE2 3.42Å; V81-Y83 VanDerWaalsContact CG1-CE2 3.42Å; V81-Y83 HydrophobicContact CG2-CD2 4.19Å; V81-Y83 HydrophobicContact CG2-CE1 4.12Å; V81-Y83 HydrophobicContact CG2-CE2 3.5Å; V81-Y83 VanDerWaalsContact CG2-CZ 3.43Å; V81-Y83 WeakPolarHBondContact CG2-OH 3.18Å
82V98.8Very high97.3Very high23 Ų2361.8 Ų61.814%0.13934%0.339CS..EExtended strand (participates in β ladder)trans-114128.7179.7-175.10000108.6E49 V51 Q74 S75E49-V82 HydrophobicContact CG-CG1 3.61Å; V51-V82 HydrophobicContact CG2-CG1 4.39Å; V51-V82 HydrophobicContact CG2-CG2 4.25Å; Q74-V82 PolarHBondContact N-O 3.04Å; S75-V82 PolarHBondContact N-O 3.36Å; S75-V82 PolarHBondContact O-N 3.03Å; S75-V82 WeakPolarHBondContact OG-CG2 3.39Å
83Y98.8Very high97.1Very high8 Ų859.5 Ų59.53%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-118.7154.4175.2-59.6-87.5000110.8E49 V50 V52 Q58 A59 L71 E72 Q73 V81E49-Y83 CarbonylContact C-O 3.58Å; E49-Y83 VanDerWaalsContact CA-O 3.3Å; E49-Y83 WeakPolarHBondContact CA-O 3.42Å; V50-Y83 PolarHBondContact N-O 2.86Å; V50-Y83 PolarHBondContact O-N 2.79Å; V52-Y83 HydrophobicContact CG2-CD2 4.28Å; V52-Y83 HydrophobicContact CG2-CE2 4.2Å; Q58-Y83 WeakPolarHBondContact CA-OH 3.37Å; A59-Y83 HydrophobicContact CB-CD2 4Å; A59-Y83 HydrophobicContact CB-CE2 3.71Å; A59-Y83 PolarHBondContact N-OH 2.93Å; A59-Y83 WeakPolarHBondContact O-CE1 3.2Å; L71-Y83 HydrophobicContact CB-CD1 4.14Å; L71-Y83 HydrophobicContact CB-CG 4.22Å; E72-Y83 CarbonylContact O-C 3.5Å; E72-Y83 VanDerWaalsContact O-CA 3.3Å; E72-Y83 WeakPolarHBondContact O-CA 3.28Å; Q73-Y83 HydrophobicContact CB-CD1 3.9Å; Q73-Y83 HydrophobicContact CB-CE1 3.74Å; Q73-Y83 HydrophobicContact CG-CD1 4.37Å; Q73-Y83 HydrophobicContact CG-CE1 4.03Å; V81-Y83 HydrophobicContact CB-CE2 4.07Å; V81-Y83 HydrophobicContact CG1-CD2 4.32Å; V81-Y83 HydrophobicContact CG1-CE2 3.42Å; V81-Y83 VanDerWaalsContact CG1-CE2 3.42Å; V81-Y83 HydrophobicContact CG2-CD2 4.19Å; V81-Y83 HydrophobicContact CG2-CE1 4.12Å; V81-Y83 HydrophobicContact CG2-CE2 3.5Å; V81-Y83 VanDerWaalsContact CG2-CZ 3.43Å; V81-Y83 WeakPolarHBondContact CG2-OH 3.18Å
84T98.7Very high97Very high15 Ų1559.8 Ų59.89%0.09234%0.342CS..EExtended strand (participates in β ladder)trans-126.6145.5167.355.70000111.6I48 E49 E72 Q74I48-T84 CarbonylContact O-C 3.55Å; I48-T84 WeakPolarHBondContact O-CA 3.36Å; E49-T84 HydrophobicContact CB-CG2 4.31Å; E49-T84 HydrophobicContact CG-CG2 4.37Å; E72-T84 PolarHBondContact N-O 2.89Å; E72-T84 PolarHBondContact O-N 2.66Å; Q74-T84 VanDerWaalsContact CD-OG1 3.28Å; Q74-T84 HydrophobicContact CG-CG2 3.57Å; Q74-T84 WeakPolarHBondContact CG-OG1 3.47Å; Q74-T84 PolarHBondContact NE2-OG1 3.39Å
85G98.4Very high96.9Very high10 Ų1055.7 Ų55.710%0.10332%0.324CS..EExtended strand (participates in β ladder)trans-138.5169.9171.400000110.5I48I48-G85 PolarHBondContact N-O 2.78Å; I48-G85 PolarHBondContact O-N 2.78Å
86Q98.4Very high96.7Very high97 Ų9759.6 Ų59.645%0.45333%0.334SS..EExtended strand (participates in β ladder)trans-120.9119.9177-168.5-176.6-62.300110.2L17 Y46 F69L17-Q86 HydrophobicContact CD1-CG 4.01Å; Y46-Q86 WeakPolarHBondContact O-CA 3.33Å; F69-Q86 WeakPolarHBondContact CD1-O 3.28Å; F69-Q86 WeakPolarHBondContact CG-O 3.42Å
87Y98.2Very high96.3Very high5 Ų561 Ų612%0.0236%0.356CS..EExtended strand (participates in β ladder)trans-99.6124.6173.2173.4-128.4000110.1L40 K45 Y46 I48 V64 V67 F69 T89L40-Y87 HydrophobicContact CD1-CE1 4.08Å; K45-Y87 WeakPolarHBondContact CA-O 3.43Å; Y46-Y87 HydrophobicContact CD2-CD1 4.24Å; Y46-Y87 PolarHBondContact N-O 2.94Å; Y46-Y87 PolarHBondContact O-N 3.21Å; I48-Y87 HydrophobicContact CD1-CG 4.37Å; V64-Y87 HydrophobicContact CB-CD1 4.4Å; V64-Y87 HydrophobicContact CB-CD2 3.79Å; V64-Y87 HydrophobicContact CB-CE1 4.35Å; V64-Y87 HydrophobicContact CB-CE2 3.76Å; V64-Y87 HydrophobicContact CB-CG 4.13Å; V64-Y87 HydrophobicContact CG1-CD1 3.99Å; V64-Y87 HydrophobicContact CG1-CD2 4.13Å; V64-Y87 HydrophobicContact CG1-CE1 3.62Å; V64-Y87 HydrophobicContact CG1-CE2 3.8Å; V64-Y87 HydrophobicContact CG1-CG 4.23Å; V64-Y87 HydrophobicContact CG2-CG 4.49Å; V64-Y87 WeakPolarHBondContact O-CE2 3.31Å; V67-Y87 HydrophobicContact CB-CD2 4.12Å; V67-Y87 HydrophobicContact CB-CE2 3.85Å; V67-Y87 HydrophobicContact CG1-CD2 4.24Å; V67-Y87 HydrophobicContact CG1-CE2 4.37Å; V67-Y87 HydrophobicContact CG2-CE2 3.99Å; F69-Y87 HydrophobicContact CE1-CD2 4.12Å; F69-Y87 HydrophobicContact CE1-CG 4.37Å; Y87-T89 HydrophobicContact CD1-CG2 4.06Å; Y87-T89 HydrophobicContact CE1-CG2 3.4Å; Y87-T89 VanDerWaalsContact CE1-CG2 3.4Å
88D97.1Very high95.9Very high35 Ų3559.4 Ų59.419%0.18736%0.356CS..EExtended strand (participates in β ladder)trans-104.3132.2175.5-155-27.8000110.3K45 E90K45-D88 WeakPolarHBondContact CE-OD2 3.5Å; K45-D88 HydrophobicContact CG-CB 4.42Å; K45-D88 IonicContact NZ-OD2 3.9Å; D88-E90 WeakPolarHBondContact OD1-CB 3.36Å; D88-E90 PolarHBondContact OD1-N 3.43Å
89T96.9Very high95.7Very high0 Ų058.7 Ų58.70%034%0.343CS..  trans-10314.8175.558.60000112.1L41 G43 S44 Y46 Y87 G91 V92 F123L41-T89 PolarHBondContact O-OG1 2.93Å; G43-T89 PolarHBondContact N-O 2.93Å; G43-T89 PolarHBondContact N-OG1 2.86Å; G43-T89 VanDerWaalsContact N-OG1 3.16Å; S44-T89 PolarHBondContact N-OG1 2.83Å; S44-T89 PolarHBondContact O-N 2.95Å; S44-T89 PolarHBondContact O-OG1 2.84Å; Y46-T89 HydrophobicContact CD2-CG2 4.14Å; Y46-T89 HydrophobicContact CE2-CG2 3.9Å; Y87-T89 HydrophobicContact CD1-CG2 4.06Å; Y87-T89 HydrophobicContact CE1-CG2 3.4Å; Y87-T89 VanDerWaalsContact CE1-CG2 3.4Å; T89-G91 PolarHBondContact O-N 2.76Å; T89-V92 WeakPolarHBondContact O-CB 3.25Å; T89-V92 PolarHBondContact O-N 3.41Å; T89-V92 VanDerWaalsContact O-N 3.12Å; T89-F123 HydrophobicContact CG2-CE1 4Å
90E94.7Very high95.6Very high150 Ų15053.8 Ų53.870%0.70132%0.318SS*.THydrogen-bonded Turntrans-53.8134.4166.4-172.8166.3-160.100110.7D88 V92D88-E90 WeakPolarHBondContact OD1-CB 3.36Å; D88-E90 PolarHBondContact OD1-N 3.43Å; E90-V92 PolarHBondContact O-N 2.79Å
91G91.4Very high95.5Very high84 Ų8456.4 Ų56.487%0.86633%0.328SS*.THydrogen-bonded Turntrans75.2-10-175.400000115.8T89 A93T89-G91 PolarHBondContact O-N 2.76Å; G91-A93 PolarHBondContact O-N 2.9Å
92V95Very high95.4Very high35 Ų3561 Ų6121%0.21236%0.358CS..PPolyproline II helixtrans-73.6125.1176.3-178.70000110.2T42 T89 E90 F123T42-V92 WeakPolarHBondContact CB-O 3.39Å; T42-V92 WeakPolarHBondContact CG2-O 3.38Å; T89-V92 WeakPolarHBondContact O-CB 3.25Å; T89-V92 PolarHBondContact O-N 3.41Å; T89-V92 VanDerWaalsContact O-N 3.12Å; E90-V92 PolarHBondContact O-N 2.79Å; V92-F123 HydrophobicContact CG1-CD1 3.89Å; V92-F123 HydrophobicContact CG1-CD2 3.97Å; V92-F123 HydrophobicContact CG1-CE1 3.91Å; V92-F123 HydrophobicContact CG1-CE2 4Å; V92-F123 HydrophobicContact CG1-CG 3.91Å; V92-F123 HydrophobicContact CG1-CZ 3.97Å
93A94.4Very high95.3Very high76 Ų7660 Ų6063%0.62835%0.352SS*.PPolyproline II helixtrans-71.4141.6177.300000111.6G91G91-A93 PolarHBondContact O-N 2.9Å
94H95.4Very high95.3Very high107 Ų10765.1 Ų65.150%0.49538%0.376SS..PPolyproline II helixtrans-70.1149.8173.273.4-82.7000110.5T42 N125T42-H94 HydrophobicContact CG2-CB 3.95Å; H94-N125 HydrophobicContact CB-CB 4.35Å
95T96.2Very high95.3Very high18 Ų1864.4 Ų64.411%0.1137%0.372CS..PPolyproline II helixtrans-92.1139.2-177.451.70000110.8Q101 K122 F123T95-Q101 HydrophobicContact CG2-CB 3.99Å; T95-K122 VanDerWaalsContact CB-NZ 3.26Å; T95-K122 PolarHBondContact O-NZ 2.99Å; T95-K122 WeakPolarHBondContact OG1-CD 3.39Å; T95-K122 WeakPolarHBondContact OG1-CE 3.34Å; T95-K122 PolarHBondContact OG1-NZ 2.76Å; T95-F123 HydrophobicContact CG2-CB 4.16Å; T95-F123 HydrophobicContact CG2-CD2 4.11Å; T95-F123 PolarHBondContact N-O 3.46Å; T95-F123 PolarHBondContact OG1-N 2.81Å; T95-F123 VanDerWaalsContact OG1-N 3.12Å; T95-F123 PolarHBondContact OG1-O 2.85Å
96K94.2Very high95.3Very high142 Ų14265.3 Ų65.362%0.61737%0.374SS*.PPolyproline II helixtrans-72.1160.6-176.2-59.7176179.8171.70112.6G98 E99 K122K96-G98 PolarHBondContact O-N 3.42Å; K96-E99 HydrophobicContact CB-CG 4.4Å; K96-E99 WeakPolarHBondContact CB-OE2 3.01Å; K96-E99 PolarHBondContact N-OE2 2.79Å; K96-E99 WeakPolarHBondContact O-CB 3.44Å; K96-E99 PolarHBondContact O-N 2.78Å; K96-K122 PolarHBondContact O-NZ 3.45Å
97S89.5Confident95.3Very high125 Ų12560.7 Ų60.787%0.87435%0.353SS*.THydrogen-bonded Turntrans-52.9140.2178.1-167.90000111.5E99S97-E99 PolarHBondContact O-N 2.82Å
98G89.1Confident95.3Very high37 Ų3764 Ų6438%0.38137%0.368SS..THydrogen-bonded Turntrans80.4-18.6-176.600000115.5F32 K96F32-G98 VanDerWaalsContact CE1-O 3.22Å; F32-G98 WeakPolarHBondContact CE1-O 3.5Å; K96-G98 PolarHBondContact O-N 3.42Å
99E92.6Very high95.3Very high97 Ų9762.8 Ų62.845%0.45336%0.361SS..  trans-91.5152.3-177-64.7174.3177.200113.1K96 S97 K122K96-E99 HydrophobicContact CB-CG 4.4Å; K96-E99 WeakPolarHBondContact CB-OE2 3.01Å; K96-E99 PolarHBondContact N-OE2 2.79Å; K96-E99 WeakPolarHBondContact O-CB 3.44Å; K96-E99 PolarHBondContact O-N 2.78Å; S97-E99 PolarHBondContact O-N 2.82Å; E99-K122 WeakPolarHBondContact O-CD 3.46Å; E99-K122 PolarHBondContact O-NZ 2.83Å
100R94.3Very high95.2Very high45 Ų4566.9 Ų66.917%0.1739%0.386CS..  trans-131.3144.7168.5-60.6-61-179.2-82.7-7.2109D28 F32 T37 Q120D28-R100 IonicContact OD1-NH2 3.81Å; D28-R100 IonicContact OD2-NE 3.62Å; D28-R100 IonicContact OD2-NH2 3.56Å; F32-R100 HydrophobicContact CD1-CG 4.15Å; F32-R100 HydrophobicContact CD2-CG 3.96Å; F32-R100 HydrophobicContact CE1-CG 4.32Å; F32-R100 HydrophobicContact CE2-CG 4.16Å; F32-R100 HydrophobicContact CG-CG 3.97Å; F32-R100 HydrophobicContact CZ-CG 4.33Å; T37-R100 VanDerWaalsContact CG2-CD 3.47Å; T37-R100 WeakPolarHBondContact OG1-CD 3.43Å; T37-R100 PolarHBondContact OG1-NE 2.97Å; T37-R100 VanDerWaalsContact OG1-NE 3.1Å; R100-Q120 HydrophobicContact CB-CG 3.6Å; R100-Q120 HydrophobicContact CG-CG 3.91Å
101Q95.1Very high95.1Very high75 Ų7564.7 Ų64.735%0.3538%0.376SS..EExtended strand (participates in β ladder)trans-103127.5178.8-174.2170.5-3.300109.6T95 V103 V121 F123T95-Q101 HydrophobicContact CG2-CB 3.99Å; Q101-V103 HydrophobicContact CB-CG2 4.49Å; Q101-V103 HydrophobicContact CG-CG2 4.16Å; Q101-V103 PolarHBondContact O-N 2.94Å; Q101-V121 PolarHBondContact N-O 2.93Å; Q101-V121 PolarHBondContact O-N 3.23Å; Q101-F123 VanDerWaalsContact OE1-CE2 3.3Å
102P96.2Very high95.2Very high96 Ų9660.8 Ų60.862%0.62334%0.336SS*.EExtended strand (participates in β ladder)trans-72.3118.7164.529.8-30.8000108.7V118P102-V118 HydrophobicContact CB-CG1 3.58Å
103V97.6Very high95.2Very high3 Ų359.7 Ų59.72%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-109.3115.8179.9176.90000108.2V64 Q101 I105 V118 W119 V121 F123V64-V103 HydrophobicContact CG1-CG1 3.78Å; Q101-V103 HydrophobicContact CB-CG2 4.49Å; Q101-V103 HydrophobicContact CG-CG2 4.16Å; Q101-V103 PolarHBondContact O-N 2.94Å; V103-I105 HydrophobicContact CG1-CD1 4.01Å; V103-V118 CarbonylContact O-C 3.55Å; V103-V118 WeakPolarHBondContact O-CA 3.2Å; V103-W119 PolarHBondContact N-O 3.24Å; V103-W119 PolarHBondContact O-N 3.32Å; V103-V121 HydrophobicContact CB-CB 4.5Å; V103-V121 HydrophobicContact CB-CG2 3.84Å; V103-V121 HydrophobicContact CG2-CB 3.67Å; V103-V121 HydrophobicContact CG2-CG1 4.47Å; V103-V121 HydrophobicContact CG2-CG2 3.54Å; V103-F123 HydrophobicContact CG2-CE2 3.81Å; V103-F123 HydrophobicContact CG2-CZ 4.09Å
104Q97.9Very high95.3Very high115 Ų11556.5 Ų56.554%0.53730%0.304SS..EExtended strand (participates in β ladder)trans-67133.1175.5-69.5-69.4-14.600110.2G65G65-Q104 PolarHBondContact N-O 3.23Å
105I98.4Very high95.5Very high1 Ų151.4 Ų51.41%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-120.9126.3177.7-51.8-61.7000107.6M62 S63 V64 V103 F115 E116 T117 W119M62-I105 HydrophobicContact CE-CG2 3.45Å; M62-I105 VanDerWaalsContact CE-CG2 3.45Å; S63-I105 WeakPolarHBondContact O-CA 3.22Å; V64-I105 HydrophobicContact CB-CD1 4.22Å; V64-I105 HydrophobicContact CG1-CD1 3.78Å; V64-I105 HydrophobicContact CG2-CD1 4.01Å; V103-I105 HydrophobicContact CG1-CD1 4.01Å; I105-F115 HydrophobicContact CG2-CE1 4.4Å; I105-E116 WeakPolarHBondContact O-CA 3.13Å; I105-T117 HydrophobicContact CB-CG2 3.76Å; I105-T117 HydrophobicContact CG1-CG2 4.17Å; I105-T117 HydrophobicContact CG2-CG2 4.25Å; I105-T117 PolarHBondContact N-O 3.13Å; I105-T117 PolarHBondContact O-N 2.9Å; I105-W119 HydrophobicContact CD1-CB 4.48Å; I105-W119 HydrophobicContact CD1-CD2 3.58Å; I105-W119 HydrophobicContact CD1-CE3 3.42Å; I105-W119 VanDerWaalsContact CD1-CE3 3.42Å; I105-W119 HydrophobicContact CD1-CG 4.06Å; I105-W119 HydrophobicContact CD1-CH2 4.39Å; I105-W119 HydrophobicContact CD1-CZ3 3.85Å; I105-W119 HydrophobicContact CG1-CB 4.23Å; I105-W119 HydrophobicContact CG1-CD2 3.48Å; I105-W119 VanDerWaalsContact CG1-CD2 3.48Å; I105-W119 HydrophobicContact CG1-CE3 3.91Å; I105-W119 HydrophobicContact CG1-CG 3.62Å; I105-W119 HydrophobicContact CG1-CZ2 4.35Å; I105-W119 HydrophobicContact CG1-CZ3 4.48Å; I105-W119 HydrophobicContact CG2-CZ2 4.41Å
106N98.3Very high95.5Very high29 Ų2954.9 Ų54.916%0.15530%0.296CS..EExtended strand (participates in β ladder)trans-132.3137.2177.6178.2-82.1000110M62 S63 Q108 F115 E116M62-N106 CarbonylContact C-O 3.57Å; M62-N106 VanDerWaalsContact CA-O 3.23Å; M62-N106 WeakPolarHBondContact CA-O 3.38Å; M62-N106 WeakPolarHBondContact CG-O 3.47Å; S63-N106 PolarHBondContact N-O 3.1Å; S63-N106 PolarHBondContact O-N 2.88Å; N106-Q108 PolarHBondContact ND2-NE2 2.52Å; N106-Q108 PolarHBondContact OD1-NE2 2.94Å; N106-F115 CarbonylContact C-O 3.57Å; N106-F115 WeakPolarHBondContact CA-O 3.16Å; N106-E116 HydrophobicContact CB-CG 4.39Å; N106-E116 WeakPolarHBondContact ND2-CG 3.38Å; N106-E116 PolarHBondContact ND2-OE1 2.91Å; N106-E116 VanDerWaalsContact ND2-OE1 3.11Å
107I98.6Very high95.7Very high0 Ų049 Ų490%027%0.272CS..EExtended strand (participates in β ladder)trans-126131169.1-58.4170000108.1I10 I12 V50 A59 S61 M62 L71 F109 S114 F115I10-I107 HydrophobicContact CG2-CD1 4.04Å; I12-I107 HydrophobicContact CD1-CD1 3.83Å; I12-I107 HydrophobicContact CG1-CD1 4.42Å; V50-I107 HydrophobicContact CG1-CD1 4.02Å; V50-I107 HydrophobicContact CG2-CD1 4.43Å; A59-I107 HydrophobicContact CB-CG2 3.93Å; S61-I107 WeakPolarHBondContact O-CA 3.4Å; M62-I107 HydrophobicContact CB-CG1 4.17Å; M62-I107 HydrophobicContact CE-CD1 4.49Å; M62-I107 HydrophobicContact CE-CG1 4.43Å; M62-I107 HydrophobicContact CG-CG1 3.82Å; M62-I107 HydrophobicContact SD-CD1 4.39Å; M62-I107 HydrophobicContact SD-CG1 4.19Å; L71-I107 HydrophobicContact CD1-CG2 4.02Å; I107-F109 HydrophobicContact CB-CE2 3.85Å; I107-F109 HydrophobicContact CB-CZ 4.28Å; I107-F109 HydrophobicContact CG2-CD2 4.2Å; I107-F109 HydrophobicContact CG2-CE1 4.36Å; I107-F109 HydrophobicContact CG2-CE2 3.56Å; I107-F109 HydrophobicContact CG2-CZ 3.66Å; I107-S114 CarbonylContact O-C 3.54Å; I107-S114 WeakPolarHBondContact O-CA 3.43Å; I107-F115 HydrophobicContact CB-CB 4.3Å; I107-F115 HydrophobicContact CB-CD1 4.34Å; I107-F115 HydrophobicContact CD1-CD1 4Å; I107-F115 HydrophobicContact CD1-CE1 4.46Å; I107-F115 HydrophobicContact CG1-CD1 4.14Å; I107-F115 PolarHBondContact N-O 3.08Å; I107-F115 PolarHBondContact O-N 2.87Å
108Q98.3Very high96.1Very high73 Ų7344.9 Ų44.934%0.34124%0.241SC..EExtended strand (participates in β ladder)trans-93.7132.7177.7-65.3-63.8-31.300110.6A59 T60 S61 N106A59-Q108 CarbonylContact C-O 3.57Å; A59-Q108 WeakPolarHBondContact CA-O 3.23Å; T60-Q108 PolarHBondContact N-O 2.82Å; T60-Q108 WeakPolarHBondContact OG1-CB 3.39Å; T60-Q108 PolarHBondContact OG1-O 2.99Å; S61-Q108 PolarHBondContact O-N 2.93Å; N106-Q108 PolarHBondContact ND2-NE2 2.52Å; N106-Q108 PolarHBondContact OD1-NE2 2.94Å
109F97.5Very high96.4Very high11 Ų1143.3 Ų43.35%0.04822%0.224CC..EExtended strand (participates in β ladder)trans-119.7142.7175.3-61.2-95.1000111.1I10 V52 V57 Q58 A59 I107 E111 A112 G113 F115 M154I10-F109 HydrophobicContact CD1-CE2 4.03Å; I10-F109 HydrophobicContact CD1-CZ 3.67Å; I10-F109 HydrophobicContact CG1-CZ 4.22Å; V52-F109 HydrophobicContact CG1-CE1 3.93Å; V52-F109 HydrophobicContact CG2-CE1 3.97Å; V52-F109 HydrophobicContact CG2-CZ 4.44Å; V57-F109 HydrophobicContact CG1-CD1 3.46Å; V57-F109 VanDerWaalsContact CG1-CD1 3.46Å; V57-F109 HydrophobicContact CG1-CE1 3.8Å; V57-F109 HydrophobicContact CG1-CG 4.33Å; Q58-F109 WeakPolarHBondContact O-CA 3.41Å; Q58-F109 WeakPolarHBondContact O-CB 3.37Å; Q58-F109 WeakPolarHBondContact O-CD1 3.42Å; A59-F109 HydrophobicContact CB-CD1 3.9Å; A59-F109 HydrophobicContact CB-CE1 3.71Å; A59-F109 HydrophobicContact CB-CZ 4.35Å; I107-F109 HydrophobicContact CB-CE2 3.85Å; I107-F109 HydrophobicContact CB-CZ 4.28Å; I107-F109 HydrophobicContact CG2-CD2 4.2Å; I107-F109 HydrophobicContact CG2-CE1 4.36Å; I107-F109 HydrophobicContact CG2-CE2 3.56Å; I107-F109 HydrophobicContact CG2-CZ 3.66Å; F109-E111 PolarHBondContact O-N 3.07Å; F109-A112 HydrophobicContact CB-CB 4.02Å; F109-G113 VanDerWaalsContact CB-O 3.28Å; F109-G113 WeakPolarHBondContact CB-O 3.38Å; F109-G113 WeakPolarHBondContact CD2-O 3.18Å; F109-G113 PolarHBondContact N-O 2.86Å; F109-F115 HydrophobicContact CE2-CB 3.77Å; F109-M154 HydrophobicContact CB-CE 4.29Å; F109-M154 HydrophobicContact CD1-CE 4.21Å; F109-M154 HydrophobicContact CD2-CE 3.44Å; F109-M154 VanDerWaalsContact CD2-CE 3.44Å; F109-M154 HydrophobicContact CD2-SD 4.42Å; F109-M154 HydrophobicContact CE1-CE 4.4Å; F109-M154 HydrophobicContact CE2-CE 3.69Å; F109-M154 HydrophobicContact CE2-SD 4.21Å; F109-M154 HydrophobicContact CG-CE 3.72Å; F109-M154 HydrophobicContact CZ-CE 4.17Å
110T94.7Very high96.6Very high85 Ų8539.3 Ų39.352%0.52121%0.205SC..THydrogen-bonded Turntrans-60.6-42.5-174.9-52.10000112.9Q58Q58-T110 PolarHBondContact O-N 2.68Å
111E92.3Very high96.8Very high104 Ų10437.2 Ų37.249%0.48620%0.198SC..THydrogen-bonded Turntrans-123.4-7.5-172.4-60.3-171.916800113.9V4 F109V4-E111 HydrophobicContact CG2-CB 3.84Å; V4-E111 VanDerWaalsContact CG2-O 3.32Å; V4-E111 WeakPolarHBondContact CG2-O 3.33Å; F109-E111 PolarHBondContact O-N 3.07Å
112A93.6Very high96.9Very high3 Ų334.1 Ų34.13%0.02518%0.183CC..THydrogen-bonded Turntrans-114.18.2-169.900000113.8V4 V57 F109 P147 M154V4-A112 HydrophobicContact CG1-CB 3.82Å; V57-A112 HydrophobicContact CG1-CB 4.26Å; F109-A112 HydrophobicContact CB-CB 4.02Å; A112-P147 HydrophobicContact CB-CG 4.19Å; A112-M154 HydrophobicContact CB-CE 3.37Å; A112-M154 WeakPolarHBondContact O-CE 3.43Å; A112-M154 WeakPolarHBondContact O-CG 3.31Å
113G94.9Very high96.9Very high11 Ų1129.6 Ų29.611%0.11315%0.153CC..EExtended strand (participates in β ladder)trans80.6-159.1-179.800000113.5F109 R151 T152F109-G113 VanDerWaalsContact CB-O 3.28Å; F109-G113 WeakPolarHBondContact CB-O 3.38Å; F109-G113 WeakPolarHBondContact CD2-O 3.18Å; F109-G113 PolarHBondContact N-O 2.86Å; G113-R151 WeakPolarHBondContact CA-O 3.19Å; G113-R151 PolarHBondContact N-O 2.82Å; G113-T152 WeakPolarHBondContact CA-O 3.37Å
114S97.2Very high96.9Very high9 Ų931.2 Ų31.26%0.06316%0.159CC..EExtended strand (participates in β ladder)trans-93.7148.1172.761.20000112.2I107 E116 T152 L153 M154I107-S114 CarbonylContact O-C 3.54Å; I107-S114 WeakPolarHBondContact O-CA 3.43Å; S114-E116 PolarHBondContact OG-OE1 2.87Å; S114-T152 PolarHBondContact N-O 3.06Å; S114-T152 PolarHBondContact OG-O 2.85Å; S114-L153 CarbonylContact O-C 3.48Å; S114-L153 WeakPolarHBondContact O-CA 3.45Å; S114-L153 WeakPolarHBondContact OG-CD1 3.29Å; S114-M154 PolarHBondContact O-N 3.12Å
115F98.3Very high96.7Very high0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-98.9132.4159163.5-95.9000108.3I10 I12 I105 N106 I107 F109 T117 Y143 M154 I156I10-F115 HydrophobicContact CD1-CB 3.85Å; I10-F115 HydrophobicContact CD1-CD1 4.39Å; I10-F115 HydrophobicContact CD1-CD2 3.67Å; I10-F115 HydrophobicContact CD1-CE2 4.29Å; I10-F115 HydrophobicContact CD1-CG 3.71Å; I12-F115 HydrophobicContact CD1-CE1 4.2Å; I105-F115 HydrophobicContact CG2-CE1 4.4Å; N106-F115 CarbonylContact C-O 3.57Å; N106-F115 WeakPolarHBondContact CA-O 3.16Å; I107-F115 HydrophobicContact CB-CB 4.3Å; I107-F115 HydrophobicContact CB-CD1 4.34Å; I107-F115 HydrophobicContact CD1-CD1 4Å; I107-F115 HydrophobicContact CD1-CE1 4.46Å; I107-F115 HydrophobicContact CG1-CD1 4.14Å; I107-F115 PolarHBondContact N-O 3.08Å; I107-F115 PolarHBondContact O-N 2.87Å; F109-F115 HydrophobicContact CE2-CB 3.77Å; F115-T117 HydrophobicContact CE1-CG2 3.66Å; F115-T117 HydrophobicContact CZ-CG2 3.59Å; F115-Y143 HydrophobicContact CE1-CD2 4.46Å; F115-Y143 HydrophobicContact CE1-CE2 4.48Å; F115-Y143 AromaticContact CE2-CD1 3.87Å; F115-Y143 HydrophobicContact CE2-CD1 3.87Å; F115-Y143 HydrophobicContact CE2-CD2 4.1Å; F115-Y143 HydrophobicContact CE2-CE1 4.44Å; F115-Y143 AromaticContact CE2-CG 3.67Å; F115-Y143 HydrophobicContact CE2-CG 3.67Å; F115-Y143 AromaticContact CZ-CD1 3.74Å; F115-Y143 HydrophobicContact CZ-CD1 3.74Å; F115-Y143 AromaticContact CZ-CD2 3.59Å; F115-Y143 HydrophobicContact CZ-CD2 3.59Å; F115-Y143 AromaticContact CZ-CE1 3.9Å; F115-Y143 HydrophobicContact CZ-CE1 3.9Å; F115-Y143 AromaticContact CZ-CE2 3.8Å; F115-Y143 HydrophobicContact CZ-CE2 3.8Å; F115-Y143 AromaticContact CZ-CG 3.58Å; F115-Y143 HydrophobicContact CZ-CG 3.58Å; F115-Y143 AromaticContact CZ-CZ 3.95Å; F115-M154 HydrophobicContact CB-SD 4.34Å; F115-I156 HydrophobicContact CD2-CD1 4.23Å; F115-I156 HydrophobicContact CD2-CG1 4.22Å; F115-I156 HydrophobicContact CE2-CD1 3.47Å; F115-I156 VanDerWaalsContact CE2-CD1 3.47Å; F115-I156 HydrophobicContact CE2-CG1 3.75Å; F115-I156 HydrophobicContact CZ-CD1 4Å
116E97.9Very high96.3Very high91 Ų9134.5 Ų34.543%0.42517%0.173SC..EExtended strand (participates in β ladder)trans-134.7128.9-178.7-72172.7-159.100110.9I105 N106 S114 L153 I156I105-E116 WeakPolarHBondContact O-CA 3.13Å; N106-E116 HydrophobicContact CB-CG 4.39Å; N106-E116 WeakPolarHBondContact ND2-CG 3.38Å; N106-E116 PolarHBondContact ND2-OE1 2.91Å; N106-E116 VanDerWaalsContact ND2-OE1 3.11Å; S114-E116 PolarHBondContact OG-OE1 2.87Å; E116-L153 HydrophobicContact CB-CD1 4.17Å; E116-L153 HydrophobicContact CG-CD1 4.07Å; E116-I156 WeakPolarHBondContact O-CD1 3.41Å
117T97.6Very high95.9Very high20 Ų2039.3 Ų39.312%0.12320%0.198CC..EExtended strand (participates in β ladder)trans-147.8171.8172.5-168.90000110.7I105 F115 Y143I105-T117 HydrophobicContact CB-CG2 3.76Å; I105-T117 HydrophobicContact CG1-CG2 4.17Å; I105-T117 HydrophobicContact CG2-CG2 4.25Å; I105-T117 PolarHBondContact N-O 3.13Å; I105-T117 PolarHBondContact O-N 2.9Å; F115-T117 HydrophobicContact CE1-CG2 3.66Å; F115-T117 HydrophobicContact CZ-CG2 3.59Å; T117-Y143 HydrophobicContact CG2-CE1 4.17Å
118V97.1Very high95.6Very high38 Ų3844.9 Ų44.923%0.2322%0.222CC..EExtended strand (participates in β ladder)trans-117.3131.9173.11790000108.2Q34 P102 V103Q34-V118 PolarHBondContact NE2-O 3.01Å; P102-V118 HydrophobicContact CB-CG1 3.58Å; V103-V118 CarbonylContact O-C 3.55Å; V103-V118 WeakPolarHBondContact O-CA 3.2Å
119W96.9Very high95.3Very high4 Ų446.6 Ų46.62%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-100.5136.1167.3-68.7-8.6000110.7I12 L14 I38 M62 V103 I105 V121 I141 Y143I12-W119 HydrophobicContact CB-CH2 4.32Å; I12-W119 HydrophobicContact CB-CZ2 4.15Å; I12-W119 HydrophobicContact CD1-CZ2 3.91Å; I12-W119 HydrophobicContact CG2-CH2 3.65Å; I12-W119 HydrophobicContact CG2-CZ2 3.97Å; L14-W119 HydrophobicContact CD1-CH2 4.21Å; L14-W119 HydrophobicContact CD1-CZ3 3.88Å; I38-W119 HydrophobicContact CD1-CB 4.1Å; I38-W119 HydrophobicContact CD1-CD2 3.57Å; I38-W119 HydrophobicContact CD1-CE3 3.51Å; I38-W119 HydrophobicContact CD1-CG 3.87Å; I38-W119 HydrophobicContact CD1-CZ3 4.14Å; M62-W119 HydrophobicContact CE-CH2 4.32Å; V103-W119 PolarHBondContact N-O 3.24Å; V103-W119 PolarHBondContact O-N 3.32Å; I105-W119 HydrophobicContact CD1-CB 4.48Å; I105-W119 HydrophobicContact CD1-CD2 3.58Å; I105-W119 HydrophobicContact CD1-CE3 3.42Å; I105-W119 VanDerWaalsContact CD1-CE3 3.42Å; I105-W119 HydrophobicContact CD1-CG 4.06Å; I105-W119 HydrophobicContact CD1-CH2 4.39Å; I105-W119 HydrophobicContact CD1-CZ3 3.85Å; I105-W119 HydrophobicContact CG1-CB 4.23Å; I105-W119 HydrophobicContact CG1-CD2 3.48Å; I105-W119 VanDerWaalsContact CG1-CD2 3.48Å; I105-W119 HydrophobicContact CG1-CE3 3.91Å; I105-W119 HydrophobicContact CG1-CG 3.62Å; I105-W119 HydrophobicContact CG1-CZ2 4.35Å; I105-W119 HydrophobicContact CG1-CZ3 4.48Å; I105-W119 HydrophobicContact CG2-CZ2 4.41Å; W119-V121 HydrophobicContact CB-CG2 3.95Å; W119-V121 PolarHBondContact O-N 3.08Å; W119-I141 HydrophobicContact CD2-CD1 4.41Å; W119-I141 HydrophobicContact CZ2-CD1 4.12Å; W119-Y143 AromaticContact NE1-CZ 3.94Å; W119-Y143 PolarHBondContact NE1-OH 3.28Å
120Q96.4Very high95Very high13 Ų1350.5 Ų50.56%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-79.8115.6164.9-176.1173.7-86.800109.9Q34 R36 T37 I38 R100Q34-Q120 HydrophobicContact CB-CB 3.81Å; Q34-Q120 HydrophobicContact CG-CB 4.08Å; Q34-Q120 PolarHBondContact O-NE2 3.42Å; R36-Q120 WeakPolarHBondContact O-CB 3.3Å; R36-Q120 PolarHBondContact O-NE2 2.91Å; T37-Q120 CarbonylContact C-O 3.51Å; T37-Q120 VanDerWaalsContact CA-O 3.31Å; T37-Q120 WeakPolarHBondContact CA-O 3.3Å; T37-Q120 PolarHBondContact OG1-NE2 2.84Å; I38-Q120 PolarHBondContact N-O 3.06Å; R100-Q120 HydrophobicContact CB-CG 3.6Å; R100-Q120 HydrophobicContact CG-CG 3.91Å
121V97.3Very high94.8Very high1 Ų150 Ų501%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-120.5145.6-175.1-177.20000111.4I38 L40 Q101 V103 W119 F123I38-V121 HydrophobicContact CB-CG2 4.41Å; I38-V121 CarbonylContact O-C 3.58Å; I38-V121 WeakPolarHBondContact O-CA 3.26Å; L40-V121 HydrophobicContact CB-CG1 4.31Å; L40-V121 HydrophobicContact CD1-CG1 3.88Å; L40-V121 HydrophobicContact CG-CG1 4Å; Q101-V121 PolarHBondContact N-O 2.93Å; Q101-V121 PolarHBondContact O-N 3.23Å; V103-V121 HydrophobicContact CB-CB 4.5Å; V103-V121 HydrophobicContact CB-CG2 3.84Å; V103-V121 HydrophobicContact CG2-CB 3.67Å; V103-V121 HydrophobicContact CG2-CG1 4.47Å; V103-V121 HydrophobicContact CG2-CG2 3.54Å; W119-V121 HydrophobicContact CB-CG2 3.95Å; W119-V121 PolarHBondContact O-N 3.08Å; V121-F123 HydrophobicContact CB-CE2 4.15Å; V121-F123 HydrophobicContact CB-CZ 4.4Å; V121-F123 HydrophobicContact CG1-CD1 4.26Å; V121-F123 HydrophobicContact CG1-CD2 4.01Å; V121-F123 HydrophobicContact CG1-CE1 3.97Å; V121-F123 HydrophobicContact CG1-CE2 3.7Å; V121-F123 HydrophobicContact CG1-CG 4.28Å; V121-F123 HydrophobicContact CG1-CZ 3.68Å
122K97.1Very high94.9Very high9 Ų945.5 Ų45.54%0.03922%0.219CC..EExtended strand (participates in β ladder)trans-114.2110.5165.9-176.374.5-170.3153.70109.3T37 I38 L40 T95 K96 E99 Y124T37-K122 HydrophobicContact CG2-CB 3.58Å; I38-K122 PolarHBondContact O-N 3.3Å; L40-K122 PolarHBondContact N-O 3.46Å; T95-K122 VanDerWaalsContact CB-NZ 3.26Å; T95-K122 PolarHBondContact O-NZ 2.99Å; T95-K122 WeakPolarHBondContact OG1-CD 3.39Å; T95-K122 WeakPolarHBondContact OG1-CE 3.34Å; T95-K122 PolarHBondContact OG1-NZ 2.76Å; K96-K122 PolarHBondContact O-NZ 3.45Å; E99-K122 WeakPolarHBondContact O-CD 3.46Å; E99-K122 PolarHBondContact O-NZ 2.83Å; K122-Y124 HydrophobicContact CB-CD2 4.39Å; K122-Y124 HydrophobicContact CB-CE2 3.81Å; K122-Y124 HydrophobicContact CG-CD2 3.8Å; K122-Y124 HydrophobicContact CG-CE1 4.28Å; K122-Y124 HydrophobicContact CG-CE2 3.21Å; K122-Y124 VanDerWaalsContact CG-CZ 3.5Å; K122-Y124 WeakPolarHBondContact O-CD2 3.04Å
123F97.5Very high94.9Very high2 Ų250 Ų501%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-85.2119.3171.2-66.3-75.8000110.7L40 T42 T89 V92 T95 Q101 V103 V121L40-F123 HydrophobicContact CB-CD1 3.87Å; L40-F123 HydrophobicContact CB-CE1 3.9Å; L40-F123 HydrophobicContact CD1-CE1 3.81Å; L40-F123 HydrophobicContact CD1-CZ 4.33Å; L40-F123 HydrophobicContact CG-CE1 4.45Å; L40-F123 CarbonylContact O-C 3.52Å; L40-F123 VanDerWaalsContact O-CA 3.31Å; L40-F123 WeakPolarHBondContact O-CA 3.26Å; T42-F123 HydrophobicContact CG2-CB 3.85Å; T89-F123 HydrophobicContact CG2-CE1 4Å; V92-F123 HydrophobicContact CG1-CD1 3.89Å; V92-F123 HydrophobicContact CG1-CD2 3.97Å; V92-F123 HydrophobicContact CG1-CE1 3.91Å; V92-F123 HydrophobicContact CG1-CE2 4Å; V92-F123 HydrophobicContact CG1-CG 3.91Å; V92-F123 HydrophobicContact CG1-CZ 3.97Å; T95-F123 HydrophobicContact CG2-CB 4.16Å; T95-F123 HydrophobicContact CG2-CD2 4.11Å; T95-F123 PolarHBondContact N-O 3.46Å; T95-F123 PolarHBondContact OG1-N 2.81Å; T95-F123 VanDerWaalsContact OG1-N 3.12Å; T95-F123 PolarHBondContact OG1-O 2.85Å; Q101-F123 VanDerWaalsContact OE1-CE2 3.3Å; V103-F123 HydrophobicContact CG2-CE2 3.81Å; V103-F123 HydrophobicContact CG2-CZ 4.09Å; V121-F123 HydrophobicContact CB-CE2 4.15Å; V121-F123 HydrophobicContact CB-CZ 4.4Å; V121-F123 HydrophobicContact CG1-CD1 4.26Å; V121-F123 HydrophobicContact CG1-CD2 4.01Å; V121-F123 HydrophobicContact CG1-CE1 3.97Å; V121-F123 HydrophobicContact CG1-CE2 3.7Å; V121-F123 HydrophobicContact CG1-CG 4.28Å; V121-F123 HydrophobicContact CG1-CZ 3.68Å
124Y96.9Very high94.7Very high36 Ų3656.9 Ų56.914%0.14126%0.262CS..EExtended strand (participates in β ladder)trans-101.1143.8175.2-70.5-92000109.9K39 L40 L41 T42 K122 K128 H131 C132K39-Y124 HydrophobicContact CB-CD2 4.27Å; K39-Y124 HydrophobicContact CB-CE2 3.86Å; K39-Y124 HydrophobicContact CD-CE2 3.89Å; K39-Y124 HydrophobicContact CG-CE2 3.84Å; L40-Y124 PolarHBondContact O-N 2.86Å; L41-Y124 CarbonylContact C-O 3.53Å; L41-Y124 VanDerWaalsContact CA-O 3.29Å; L41-Y124 WeakPolarHBondContact CA-O 3.49Å; T42-Y124 PolarHBondContact N-O 2.86Å; T42-Y124 PolarHBondContact OG1-O 3.2Å; K122-Y124 HydrophobicContact CB-CD2 4.39Å; K122-Y124 HydrophobicContact CB-CE2 3.81Å; K122-Y124 HydrophobicContact CG-CD2 3.8Å; K122-Y124 HydrophobicContact CG-CE1 4.28Å; K122-Y124 HydrophobicContact CG-CE2 3.21Å; K122-Y124 VanDerWaalsContact CG-CZ 3.5Å; K122-Y124 WeakPolarHBondContact O-CD2 3.04Å; Y124-K128 HydrophobicContact CD1-CB 4.16Å; Y124-H131 HydrophobicContact CD1-CB 4.3Å; Y124-H131 HydrophobicContact CE1-CB 3.91Å; Y124-C132 HydrophobicContact CD2-CB 3.84Å; Y124-C132 HydrophobicContact CE2-CB 4.41Å; Y124-C132 HydrophobicContact CG-CB 3.96Å
125N94.4Very high94.3Very high64 Ų6459.1 Ų59.134%0.34229%0.286SS..PPolyproline II helixtrans-66.4146.9164.1-175.4-47.3000109.3H94 N127 K128H94-N125 HydrophobicContact CB-CB 4.35Å; N125-N127 PolarHBondContact O-N 3.12Å; N125-N127 VanDerWaalsContact O-N 3.11Å; N125-N127 PolarHBondContact OD1-N 2.9Å; N125-K128 WeakPolarHBondContact O-CA 3.48Å; N125-K128 PolarHBondContact O-N 2.99Å
126Y88.9Confident94.1Very high122 Ų12263.1 Ų63.148%0.47831%0.307SS..G310 helixtrans-49.2-35.1175-166.6-93.3000113.8L41 K128 R129L41-Y126 HydrophobicContact CD1-CD2 4.04Å; L41-Y126 HydrophobicContact CD1-CE2 4.37Å; Y126-K128 PolarHBondContact O-N 3.39Å; Y126-R129 WeakPolarHBondContact O-CB 3.16Å; Y126-R129 PolarHBondContact O-N 3.42Å
127N91.1Very high93.8Very high129 Ų12962.1 Ų62.169%0.6931%0.31SS*.G310 helixtrans-63.9-11.1175.6-67.3-18.4000114N125N125-N127 PolarHBondContact O-N 3.12Å; N125-N127 VanDerWaalsContact O-N 3.11Å; N125-N127 PolarHBondContact OD1-N 2.9Å
128K91.6Very high93.6Very high117 Ų11761.5 Ų61.551%0.50931%0.306SS..G310 helixtrans-114.825176.5-63.1-63-172.6-176.50112.3Y124 N125 Y126 D130 H131 C132Y124-K128 HydrophobicContact CD1-CB 4.16Å; N125-K128 WeakPolarHBondContact O-CA 3.48Å; N125-K128 PolarHBondContact O-N 2.99Å; Y126-K128 PolarHBondContact O-N 3.39Å; K128-D130 PolarHBondContact O-N 2.88Å; K128-H131 WeakPolarHBondContact O-CB 3.44Å; K128-H131 PolarHBondContact O-N 2.85Å; K128-C132 PolarHBondContact O-N 3.18Å; K128-C132 VanDerWaalsContact O-N 3.14Å
129R91.2Very high93.5Very high110 Ų11064.5 Ų64.542%0.41532%0.32SS..Hα-helixtrans-51.8-37.6179.266.7-176.2-173-87.8-5.9114L41 Y126 H131 C132 Q133L41-R129 HydrophobicContact CD1-CB 4.1Å; L41-R129 HydrophobicContact CD2-CB 4.25Å; Y126-R129 WeakPolarHBondContact O-CB 3.16Å; Y126-R129 PolarHBondContact O-N 3.42Å; R129-H131 VanDerWaalsContact C-N 3.32Å; R129-H131 PolarHBondContact O-N 2.83Å; R129-C132 WeakPolarHBondContact O-CA 3.4Å; R129-C132 VanDerWaalsContact O-CB 3.23Å; R129-C132 WeakPolarHBondContact O-CB 3.27Å; R129-C132 PolarHBondContact O-N 3.45Å; R129-Q133 WeakPolarHBondContact O-CG 3.16Å; R129-Q133 PolarHBondContact O-N 3.14Å
130D92.6Very high93.5Very high92 Ų9265 Ų6549%0.49232%0.324SS..Hα-helixtrans-62.8-41.4179.8-56.5-20.2000111K128 C132 Q133 W134K128-D130 PolarHBondContact O-N 2.88Å; D130-C132 VanDerWaalsContact C-N 3.31Å; D130-C132 PolarHBondContact O-N 3.07Å; D130-Q133 PolarHBondContact O-N 3.37Å; D130-W134 PolarHBondContact O-NE1 3.06Å
131H90.6Very high93.5Very high76 Ų7664.3 Ų64.335%0.35232%0.321SS..Hα-helixtrans-69.4-30.4175.9-73.1-141000112.6K39 Y124 K128 R129 Q133 W134K39-H131 PolarHBondContact NZ-O 3.24Å; K39-H131 VanDerWaalsContact NZ-O 3.07Å; Y124-H131 HydrophobicContact CD1-CB 4.3Å; Y124-H131 HydrophobicContact CE1-CB 3.91Å; K128-H131 WeakPolarHBondContact O-CB 3.44Å; K128-H131 PolarHBondContact O-N 2.85Å; R129-H131 VanDerWaalsContact C-N 3.32Å; R129-H131 PolarHBondContact O-N 2.83Å; H131-Q133 PolarHBondContact O-N 3.25Å; H131-W134 AromaticContact CD2-CH2 3.93Å; H131-W134 AromaticContact CD2-CZ2 3.79Å; H131-W134 AromaticContact CE1-CH2 3.86Å; H131-W134 AromaticContact NE2-CH2 3.72Å; H131-W134 AromaticContact NE2-CZ2 3.92Å; H131-W134 PolarHBondContact O-N 3.19Å
132C93.9Very high93.5Very high9 Ų968.7 Ų68.76%0.06134%0.342CS..Hα-helixtrans-64.3-27.4175.1-164.40000111.3K39 L41 Y124 K128 R129 D130K39-C132 WeakPolarHBondContact CB-O 3.46Å; K39-C132 WeakPolarHBondContact CD-O 3.39Å; L41-C132 HydrophobicContact CD2-CB 3.92Å; L41-C132 HydrophobicContact CG-CB 4.35Å; Y124-C132 HydrophobicContact CD2-CB 3.84Å; Y124-C132 HydrophobicContact CE2-CB 4.41Å; Y124-C132 HydrophobicContact CG-CB 3.96Å; K128-C132 PolarHBondContact O-N 3.18Å; K128-C132 VanDerWaalsContact O-N 3.14Å; R129-C132 WeakPolarHBondContact O-CA 3.4Å; R129-C132 VanDerWaalsContact O-CB 3.23Å; R129-C132 WeakPolarHBondContact O-CB 3.27Å; R129-C132 PolarHBondContact O-N 3.45Å; D130-C132 VanDerWaalsContact C-N 3.31Å; D130-C132 PolarHBondContact O-N 3.07Å
133Q92.9Very high93.6Very high98 Ų9868.5 Ų68.546%0.45834%0.341SS..THydrogen-bonded Turntrans-91.3-7-178.5-64.9176.2-400114.5F24 R129 D130 H131F24-Q133 WeakPolarHBondContact CD1-O 3.36Å; F24-Q133 HydrophobicContact CD2-CB 3.99Å; F24-Q133 HydrophobicContact CD2-CG 4.01Å; F24-Q133 VanDerWaalsContact CE1-O 3.26Å; F24-Q133 WeakPolarHBondContact CE1-O 3.43Å; F24-Q133 HydrophobicContact CE2-CB 3.79Å; F24-Q133 HydrophobicContact CE2-CG 3.71Å; F24-Q133 WeakPolarHBondContact CG-O 3.38Å; F24-Q133 HydrophobicContact CZ-CB 4.14Å; F24-Q133 HydrophobicContact CZ-CG 4.43Å; R129-Q133 WeakPolarHBondContact O-CG 3.16Å; R129-Q133 PolarHBondContact O-N 3.14Å; D130-Q133 PolarHBondContact O-N 3.37Å; H131-Q133 PolarHBondContact O-N 3.25Å
134W90.6Very high93.6Very high155 Ų15571 Ų7159%0.58735%0.353SS*.  trans-69143.8177.5-65.1-4.3000111.8K39 D130 H131K39-W134 WeakPolarHBondContact CE-O 3.23Å; K39-W134 PolarHBondContact NZ-O 2.96Å; D130-W134 PolarHBondContact O-NE1 3.06Å; H131-W134 AromaticContact CD2-CH2 3.93Å; H131-W134 AromaticContact CD2-CZ2 3.79Å; H131-W134 AromaticContact CE1-CH2 3.86Å; H131-W134 AromaticContact NE2-CH2 3.72Å; H131-W134 AromaticContact NE2-CZ2 3.92Å; H131-W134 PolarHBondContact O-N 3.19Å
135G89.9Confident93.7Very high55 Ų5569.3 Ų69.357%0.56735%0.346SS*.SBendtrans108.5-148.1176.900000111.9
136N92.6Very high93.8Very high85 Ų8570.2 Ų70.246%0.45535%0.347SS..EExtended strand (participates in β ladder)trans-94144.2-176.6-61-57.7000110.1F24 F25 F138F24-N136 CarbonylContact C-O 3.54Å; F24-N136 VanDerWaalsContact CA-O 3.25Å; F24-N136 WeakPolarHBondContact CA-O 3.2Å; F25-N136 HydrophobicContact CD1-CB 4.04Å; F25-N136 HydrophobicContact CE1-CB 3.5Å; F25-N136 VanDerWaalsContact CE1-CB 3.5Å; F25-N136 HydrophobicContact CE2-CB 4.17Å; F25-N136 HydrophobicContact CZ-CB 3.56Å; F25-N136 PolarHBondContact N-O 2.82Å; F25-N136 PolarHBondContact O-N 3.44Å; N136-F138 PolarHBondContact O-N 2.79Å
137S93.1Very high94.1Very high69 Ų6965 Ų6548%0.48333%0.328SS..EExtended strand (participates in β ladder)trans-62.4133168.7-170.90000109.1F25F25-S137 WeakPolarHBondContact CE1-O 3.27Å
138F93.9Very high94.1Very high8 Ų859.9 Ų59.94%0.03530%0.301CS..EExtended strand (participates in β ladder)trans-83114.2173.5-178.3-90.5000108.6L14 V23 F25 I38 N136 I141 F161L14-F138 HydrophobicContact CB-CD1 4.1Å; L14-F138 HydrophobicContact CB-CE1 4.05Å; L14-F138 HydrophobicContact CD1-CD1 4.14Å; L14-F138 HydrophobicContact CD1-CE1 3.62Å; L14-F138 HydrophobicContact CD1-CZ 3.97Å; L14-F138 HydrophobicContact CG-CE1 4.12Å; V23-F138 HydrophobicContact CB-CB 4.14Å; V23-F138 HydrophobicContact CG1-CB 4.07Å; V23-F138 HydrophobicContact CG1-CG 4.36Å; V23-F138 VanDerWaalsContact O-CB 3.26Å; V23-F138 WeakPolarHBondContact O-CB 3.44Å; V23-F138 PolarHBondContact O-N 2.87Å; F25-F138 HydrophobicContact CB-CD2 4.33Å; F25-F138 HydrophobicContact CD1-CB 4.09Å; F25-F138 HydrophobicContact CD1-CD2 4.14Å; I38-F138 HydrophobicContact CD1-CE2 3.96Å; I38-F138 HydrophobicContact CD1-CZ 4.34Å; I38-F138 HydrophobicContact CG1-CD2 4.37Å; I38-F138 HydrophobicContact CG1-CE2 4.06Å; N136-F138 PolarHBondContact O-N 2.79Å; F138-I141 HydrophobicContact CE2-CD1 3.7Å; F138-I141 HydrophobicContact CE2-CG1 3.52Å; F138-I141 HydrophobicContact CZ-CD1 3.85Å; F138-I141 HydrophobicContact CZ-CG1 3.64Å; F138-F161 HydrophobicContact CD2-CD1 4.39Å; F138-F161 HydrophobicContact CD2-CE1 4.36Å; F138-F161 HydrophobicContact CE2-CD1 4.13Å; F138-F161 AromaticContact CE2-CE1 3.93Å; F138-F161 HydrophobicContact CE2-CE1 3.93Å
139N93.9Very high94Very high100 Ų10061.3 Ų61.354%0.53531%0.314SS..  trans-90.8-64.4173.5-168.915.1000109.5S13 V162S13-N139 WeakPolarHBondContact CB-O 3.5Å; N139-V162 VanDerWaalsContact CB-O 3.31Å; N139-V162 WeakPolarHBondContact CB-O 2.85Å
140S96.1Very high94Very high14 Ų1460.8 Ų60.810%0.09832%0.323CS..  trans-157.8164.4176.159.50000112.2I12 V162I12-S140 CarbonylContact O-C 3.54Å; I12-S140 WeakPolarHBondContact O-CA 3.33Å; I12-S140 WeakPolarHBondContact O-CB 3.49Å; S140-V162 PolarHBondContact O-N 3.35Å
141I97.1Very high93.9Very high0 Ų061.1 Ų61.10%032%0.317CS..EExtended strand (participates in β ladder)trans-111.2128.6158-53.6160.9000107.8G11 I12 I38 W119 F138 Y143 E159 M160 F161G11-I141 WeakPolarHBondContact CA-O 3.47Å; I12-I141 PolarHBondContact N-O 3Å; I12-I141 PolarHBondContact O-N 3.35Å; I38-I141 HydrophobicContact CD1-CD1 3.88Å; W119-I141 HydrophobicContact CD2-CD1 4.41Å; W119-I141 HydrophobicContact CZ2-CD1 4.12Å; F138-I141 HydrophobicContact CE2-CD1 3.7Å; F138-I141 HydrophobicContact CE2-CG1 3.52Å; F138-I141 HydrophobicContact CZ-CD1 3.85Å; F138-I141 HydrophobicContact CZ-CG1 3.64Å; I141-Y143 HydrophobicContact CB-CE2 3.9Å; I141-Y143 HydrophobicContact CG2-CD2 4.35Å; I141-Y143 HydrophobicContact CG2-CE1 4.04Å; I141-Y143 HydrophobicContact CG2-CE2 3.55Å; I141-Y143 VanDerWaalsContact CG2-OH 3.23Å; I141-Y143 WeakPolarHBondContact CG2-OH 3.23Å; I141-E159 HydrophobicContact CG2-CG 3.66Å; I141-M160 CarbonylContact C-O 3.47Å; I141-M160 WeakPolarHBondContact CA-O 3.34Å; I141-F161 HydrophobicContact CD1-CD1 4.28Å; I141-F161 HydrophobicContact CD1-CE1 3.59Å; I141-F161 HydrophobicContact CD1-CE2 3.93Å; I141-F161 HydrophobicContact CD1-CZ 3.38Å; I141-F161 HydrophobicContact CG1-CD1 3.75Å; I141-F161 HydrophobicContact CG1-CD2 4.06Å; I141-F161 HydrophobicContact CG1-CE1 3.59Å; I141-F161 HydrophobicContact CG1-CE2 3.91Å; I141-F161 HydrophobicContact CG1-CG 3.99Å; I141-F161 HydrophobicContact CG1-CZ 3.68Å; I141-F161 HydrophobicContact CG2-CD2 4.21Å; I141-F161 HydrophobicContact CG2-CE2 4.2Å
142E98.2Very high94Very high93 Ų9361.5 Ų61.544%0.43533%0.325SS..EExtended strand (participates in β ladder)trans-105.9134.5176.5-62.2-170.7170.700110.7I10 E159 M160 V162I10-E142 CarbonylContact O-C 3.59Å; I10-E142 WeakPolarHBondContact O-CA 3.42Å; E142-E159 CarbonylContact O-C 3.55Å; E142-E159 WeakPolarHBondContact O-CA 3.37Å; E142-M160 PolarHBondContact N-O 2.98Å; E142-M160 PolarHBondContact O-N 3.04Å; E142-V162 HydrophobicContact CG-CG2 3.96Å
143Y98.5Very high94Very high4 Ų463.7 Ų63.72%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-118.1138.8176.2-56.5-88.7000109.8K9 I10 I12 F115 T117 W119 I141 I156 K158 E159K9-Y143 CarbonylContact C-O 3.55Å; K9-Y143 VanDerWaalsContact CA-O 3.24Å; K9-Y143 WeakPolarHBondContact CA-O 3.44Å; I10-Y143 PolarHBondContact N-O 3.32Å; I10-Y143 PolarHBondContact O-N 2.91Å; I12-Y143 HydrophobicContact CD1-CD2 4.45Å; I12-Y143 HydrophobicContact CD1-CE2 4.01Å; I12-Y143 HydrophobicContact CG1-CE2 4.48Å; F115-Y143 HydrophobicContact CE1-CD2 4.46Å; F115-Y143 HydrophobicContact CE1-CE2 4.48Å; F115-Y143 AromaticContact CE2-CD1 3.87Å; F115-Y143 HydrophobicContact CE2-CD1 3.87Å; F115-Y143 HydrophobicContact CE2-CD2 4.1Å; F115-Y143 HydrophobicContact CE2-CE1 4.44Å; F115-Y143 AromaticContact CE2-CG 3.67Å; F115-Y143 HydrophobicContact CE2-CG 3.67Å; F115-Y143 AromaticContact CZ-CD1 3.74Å; F115-Y143 HydrophobicContact CZ-CD1 3.74Å; F115-Y143 AromaticContact CZ-CD2 3.59Å; F115-Y143 HydrophobicContact CZ-CD2 3.59Å; F115-Y143 AromaticContact CZ-CE1 3.9Å; F115-Y143 HydrophobicContact CZ-CE1 3.9Å; F115-Y143 AromaticContact CZ-CE2 3.8Å; F115-Y143 HydrophobicContact CZ-CE2 3.8Å; F115-Y143 AromaticContact CZ-CG 3.58Å; F115-Y143 HydrophobicContact CZ-CG 3.58Å; F115-Y143 AromaticContact CZ-CZ 3.95Å; T117-Y143 HydrophobicContact CG2-CE1 4.17Å; W119-Y143 AromaticContact NE1-CZ 3.94Å; W119-Y143 PolarHBondContact NE1-OH 3.28Å; I141-Y143 HydrophobicContact CB-CE2 3.9Å; I141-Y143 HydrophobicContact CG2-CD2 4.35Å; I141-Y143 HydrophobicContact CG2-CE1 4.04Å; I141-Y143 HydrophobicContact CG2-CE2 3.55Å; I141-Y143 VanDerWaalsContact CG2-OH 3.23Å; I141-Y143 WeakPolarHBondContact CG2-OH 3.23Å; Y143-I156 HydrophobicContact CD1-CD1 4.16Å; Y143-I156 HydrophobicContact CD1-CG2 3.96Å; Y143-I156 HydrophobicContact CE1-CD1 4.46Å; Y143-K158 VanDerWaalsContact CA-O 3.31Å; Y143-K158 WeakPolarHBondContact CA-O 3.49Å; Y143-E159 HydrophobicContact CD1-CB 4.21Å; Y143-E159 HydrophobicContact CD1-CG 4.14Å; Y143-E159 HydrophobicContact CE1-CB 4.16Å; Y143-E159 HydrophobicContact CE1-CG 3.66Å; Y143-E159 WeakPolarHBondContact CE1-OE2 3.41Å
144E98.3Very high94.2Very high56 Ų5659.2 Ų59.226%0.26232%0.315SS..EExtended strand (participates in β ladder)trans-107.6118.9163-170.4174.796.800108.5I7 K9 N157 K158I7-E144 HydrophobicContact CG2-CG 3.58Å; K9-E144 WeakPolarHBondContact CE-OE2 3.32Å; K9-E144 HydrophobicContact CG-CG 4.37Å; K9-E144 IonicContact NZ-OE2 2.66Å; E144-N157 PolarHBondContact O-N 3.47Å; E144-K158 HydrophobicContact CB-CB 4.05Å; E144-K158 PolarHBondContact N-O 2.87Å; E144-K158 PolarHBondContact O-N 3Å
145C97.5Very high94.5Very high0 Ų057.7 Ų57.70%031%0.309CS..EExtended strand (participates in β ladder)trans-123.7151-169.2-55.80000111.1I7 V8 M154 W155I7-C145 CarbonylContact C-O 3.6Å; I7-C145 WeakPolarHBondContact CA-O 3.43Å; V8-C145 PolarHBondContact N-O 2.92Å; V8-C145 WeakPolarHBondContact O-CA 3.36Å; V8-C145 WeakPolarHBondContact O-CB 3.44Å; V8-C145 PolarHBondContact O-N 2.58Å; C145-M154 HydrophobicContact CB-CB 4.01Å; C145-M154 HydrophobicContact CB-SD 3.99Å; C145-W155 CarbonylContact C-O 3.46Å; C145-W155 WeakPolarHBondContact CA-O 3.37Å
146K96.5Very high94.8Very high83 Ų8357.9 Ų57.936%0.36130%0.297SS..EExtended strand (participates in β ladder)trans-123117.2171.9174.3168.2-178.5-171.60109.7Q6 N148 M154 W155Q6-K146 WeakPolarHBondContact O-CG 3.15Å; K146-N148 PolarHBondContact O-N 3Å; K146-M154 CarbonylContact O-C 3.59Å; K146-M154 WeakPolarHBondContact O-CA 3.49Å; K146-W155 HydrophobicContact CG-CE3 4.45Å; K146-W155 PolarHBondContact N-O 3.17Å; K146-W155 PolarHBondContact O-N 2.78Å
147P94.9Very high95Very high13 Ų1358.6 Ų58.68%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-55.6136.5170.3-25.236.1000110.8V4 V8 A112 M154V4-P147 HydrophobicContact CG1-CB 4.12Å; V4-P147 HydrophobicContact CG1-CG 3.82Å; V8-P147 HydrophobicContact CG2-CG 3.95Å; A112-P147 HydrophobicContact CB-CG 4.19Å; P147-M154 HydrophobicContact CG-CE 4.46Å; P147-M154 HydrophobicContact CG-CG 4.28Å
148N92.4Very high95.1Very high21 Ų2160.8 Ų60.811%0.11230%0.301CS..  trans-72.4168.5176.372.6-5.4000111.5K146 T150 R151 T152 L153 W155K146-N148 PolarHBondContact O-N 3Å; N148-T150 PolarHBondContact ND2-OG1 3.11Å; N148-T150 VanDerWaalsContact ND2-OG1 3.14Å; N148-T150 PolarHBondContact O-N 2.7Å; N148-T150 PolarHBondContact OD1-OG1 2.87Å; N148-R151 PolarHBondContact O-N 3.49Å; N148-R151 WeakPolarHBondContact OD1-CA 3.31Å; N148-R151 PolarHBondContact OD1-N 2.79Å; N148-T152 PolarHBondContact ND2-OG1 3.44Å; N148-T152 PolarHBondContact OD1-N 2.91Å; N148-L153 VanDerWaalsContact CB-O 3.3Å; N148-L153 WeakPolarHBondContact CB-O 3.39Å; N148-L153 PolarHBondContact N-O 2.82Å; N148-L153 PolarHBondContact OD1-N 2.87Å; N148-L153 PolarHBondContact OD1-O 3.16Å; N148-L153 VanDerWaalsContact OD1-O 3.13Å; N148-W155 HydrophobicContact CB-CD2 4.34Å; N148-W155 HydrophobicContact CB-CE3 4.43Å; N148-W155 HydrophobicContact CB-CH2 3.8Å; N148-W155 HydrophobicContact CB-CZ2 3.67Å; N148-W155 HydrophobicContact CB-CZ3 4.18Å
149D89.3Confident95.2Very high147 Ų14764.2 Ų64.279%0.78632%0.318SS*.THydrogen-bonded Turntrans-61.9-30.7-174.5-59.3-30.6000112.8R151D149-R151 VanDerWaalsContact C-N 3.33Å
150T90.7Very high95.2Very high98 Ų9863.5 Ų63.560%0.60131%0.312SS*.THydrogen-bonded Turntrans-84.3-4.7177.4560000113.7N148 T152N148-T150 PolarHBondContact ND2-OG1 3.11Å; N148-T150 VanDerWaalsContact ND2-OG1 3.14Å; N148-T150 PolarHBondContact O-N 2.7Å; N148-T150 PolarHBondContact OD1-OG1 2.87Å; T150-T152 PolarHBondContact O-N 3.19Å; T150-T152 PolarHBondContact OG1-OG1 3.39Å
151R90.4Very high94.9Very high99 Ų9964.1 Ų64.137%0.37431%0.313SS..SBendtrans53.135.1-175.7-54.2178.8-179.4-167.4-0.1113.5G113 N148 D149G113-R151 WeakPolarHBondContact CA-O 3.19Å; G113-R151 PolarHBondContact N-O 2.82Å; N148-R151 PolarHBondContact O-N 3.49Å; N148-R151 WeakPolarHBondContact OD1-CA 3.31Å; N148-R151 PolarHBondContact OD1-N 2.79Å; D149-R151 VanDerWaalsContact C-N 3.33Å
152T92.6Very high94.2Very high85 Ų8568.5 Ų68.552%0.52134%0.339SS..SBendtrans-102.2-28.2178.3560000112.4G113 S114 N148 T150G113-T152 WeakPolarHBondContact CA-O 3.37Å; S114-T152 PolarHBondContact N-O 3.06Å; S114-T152 PolarHBondContact OG-O 2.85Å; N148-T152 PolarHBondContact ND2-OG1 3.44Å; N148-T152 PolarHBondContact OD1-N 2.91Å; T150-T152 PolarHBondContact O-N 3.19Å; T150-T152 PolarHBondContact OG1-OG1 3.39Å
153L95.5Very high94Very high54 Ų5467.3 Ų67.328%0.28334%0.335SS..BIsolated β-bridgetrans-147.5150.3-176.1-177.269.8000109.9S114 E116 N148S114-L153 CarbonylContact O-C 3.48Å; S114-L153 WeakPolarHBondContact O-CA 3.45Å; S114-L153 WeakPolarHBondContact OG-CD1 3.29Å; E116-L153 HydrophobicContact CB-CD1 4.17Å; E116-L153 HydrophobicContact CG-CD1 4.07Å; N148-L153 VanDerWaalsContact CB-O 3.3Å; N148-L153 WeakPolarHBondContact CB-O 3.39Å; N148-L153 PolarHBondContact N-O 2.82Å; N148-L153 PolarHBondContact OD1-N 2.87Å; N148-L153 PolarHBondContact OD1-O 3.16Å; N148-L153 VanDerWaalsContact OD1-O 3.13Å
154M96.4Very high93.8Very high5 Ų570.6 Ų70.63%0.02535%0.351CS..EExtended strand (participates in β ladder)trans-101.6136.1169.5-57.4-176.8-17500111.8V8 I10 F109 A112 S114 F115 C145 K146 P147V8-M154 HydrophobicContact CB-CE 4.49Å; V8-M154 HydrophobicContact CB-SD 4.29Å; V8-M154 HydrophobicContact CG1-CE 4.36Å; V8-M154 HydrophobicContact CG1-SD 4.42Å; V8-M154 HydrophobicContact CG2-CE 4.3Å; I10-M154 HydrophobicContact CD1-SD 4.19Å; F109-M154 HydrophobicContact CB-CE 4.29Å; F109-M154 HydrophobicContact CD1-CE 4.21Å; F109-M154 HydrophobicContact CD2-CE 3.44Å; F109-M154 VanDerWaalsContact CD2-CE 3.44Å; F109-M154 HydrophobicContact CD2-SD 4.42Å; F109-M154 HydrophobicContact CE1-CE 4.4Å; F109-M154 HydrophobicContact CE2-CE 3.69Å; F109-M154 HydrophobicContact CE2-SD 4.21Å; F109-M154 HydrophobicContact CG-CE 3.72Å; F109-M154 HydrophobicContact CZ-CE 4.17Å; A112-M154 HydrophobicContact CB-CE 3.37Å; A112-M154 WeakPolarHBondContact O-CE 3.43Å; A112-M154 WeakPolarHBondContact O-CG 3.31Å; S114-M154 PolarHBondContact O-N 3.12Å; F115-M154 HydrophobicContact CB-SD 4.34Å; C145-M154 HydrophobicContact CB-CB 4.01Å; C145-M154 HydrophobicContact CB-SD 3.99Å; K146-M154 CarbonylContact O-C 3.59Å; K146-M154 WeakPolarHBondContact O-CA 3.49Å; P147-M154 HydrophobicContact CG-CE 4.46Å; P147-M154 HydrophobicContact CG-CG 4.28Å
155W95.9Very high93.6Very high122 Ų12271.4 Ų71.446%0.46236%0.356SS..EExtended strand (participates in β ladder)trans-85.2133.4169.2-61.4-47.7000110.9C145 K146 N148C145-W155 CarbonylContact C-O 3.46Å; C145-W155 WeakPolarHBondContact CA-O 3.37Å; K146-W155 HydrophobicContact CG-CE3 4.45Å; K146-W155 PolarHBondContact N-O 3.17Å; K146-W155 PolarHBondContact O-N 2.78Å; N148-W155 HydrophobicContact CB-CD2 4.34Å; N148-W155 HydrophobicContact CB-CE3 4.43Å; N148-W155 HydrophobicContact CB-CH2 3.8Å; N148-W155 HydrophobicContact CB-CZ2 3.67Å; N148-W155 HydrophobicContact CB-CZ3 4.18Å
156I97.1Very high93.3Very high60 Ų6075.6 Ų75.631%0.30838%0.377SS..EExtended strand (participates in β ladder)trans-87.5116.4176.4-57.6176.6000108.7F115 E116 Y143F115-I156 HydrophobicContact CD2-CD1 4.23Å; F115-I156 HydrophobicContact CD2-CG1 4.22Å; F115-I156 HydrophobicContact CE2-CD1 3.47Å; F115-I156 VanDerWaalsContact CE2-CD1 3.47Å; F115-I156 HydrophobicContact CE2-CG1 3.75Å; F115-I156 HydrophobicContact CZ-CD1 4Å; E116-I156 WeakPolarHBondContact O-CD1 3.41Å; Y143-I156 HydrophobicContact CD1-CD1 4.16Å; Y143-I156 HydrophobicContact CD1-CG2 3.96Å; Y143-I156 HydrophobicContact CE1-CD1 4.46Å
157N96.1Very high93.1Very high100 Ų10075.1 Ų75.154%0.53538%0.378SS..EExtended strand (participates in β ladder)trans-91.7-31.9176.8-65.8-26.1000111.9E144E144-N157 PolarHBondContact O-N 3.47Å
158K96.1Very high93Very high114 Ų11479.3 Ų79.350%0.49640%0.398SS..EExtended strand (participates in β ladder)trans-148.2141.7-176-168.2178-178-177.30110.8Y143 E144Y143-K158 VanDerWaalsContact CA-O 3.31Å; Y143-K158 WeakPolarHBondContact CA-O 3.49Å; E144-K158 HydrophobicContact CB-CB 4.05Å; E144-K158 PolarHBondContact N-O 2.87Å; E144-K158 PolarHBondContact O-N 3Å
159E95.1Very high93Very high81 Ų8183.4 Ų83.438%0.37942%0.418SS..EExtended strand (participates in β ladder)trans-126136170-179.1-174.397.300108.9I141 E142 Y143I141-E159 HydrophobicContact CG2-CG 3.66Å; E142-E159 CarbonylContact O-C 3.55Å; E142-E159 WeakPolarHBondContact O-CA 3.37Å; Y143-E159 HydrophobicContact CD1-CB 4.21Å; Y143-E159 HydrophobicContact CD1-CG 4.14Å; Y143-E159 HydrophobicContact CE1-CB 4.16Å; Y143-E159 HydrophobicContact CE1-CG 3.66Å; Y143-E159 WeakPolarHBondContact CE1-OE2 3.41Å
160M93.5Very high93.3Very high84 Ų8478.5 Ų78.541%0.41439%0.39SS..EExtended strand (participates in β ladder)trans-140.6128.5176-172178.2-58.400111I141 E142 V162I141-M160 CarbonylContact C-O 3.47Å; I141-M160 WeakPolarHBondContact CA-O 3.34Å; E142-M160 PolarHBondContact N-O 2.98Å; E142-M160 PolarHBondContact O-N 3.04Å; M160-V162 HydrophobicContact CG-CG2 4.44Å
161F89.8Confident93.6Very high28 Ų2876.9 Ų76.912%0.12337%0.372CS..EExtended strand (participates in β ladder)trans-87.4123.5166.5-78.5-113.6000108.6F25 R36 I38 F138 I141F25-F161 HydrophobicContact CD2-CD1 4.39Å; F25-F161 HydrophobicContact CG-CD1 4.43Å; R36-F161 HydrophobicContact CB-CD1 4.46Å; R36-F161 HydrophobicContact CB-CE1 3.99Å; R36-F161 HydrophobicContact CB-CE2 4.23Å; R36-F161 HydrophobicContact CB-CZ 3.86Å; I38-F161 HydrophobicContact CG1-CE1 4.35Å; F138-F161 HydrophobicContact CD2-CD1 4.39Å; F138-F161 HydrophobicContact CD2-CE1 4.36Å; F138-F161 HydrophobicContact CE2-CD1 4.13Å; F138-F161 AromaticContact CE2-CE1 3.93Å; F138-F161 HydrophobicContact CE2-CE1 3.93Å; I141-F161 HydrophobicContact CD1-CD1 4.28Å; I141-F161 HydrophobicContact CD1-CE1 3.59Å; I141-F161 HydrophobicContact CD1-CE2 3.93Å; I141-F161 HydrophobicContact CD1-CZ 3.38Å; I141-F161 HydrophobicContact CG1-CD1 3.75Å; I141-F161 HydrophobicContact CG1-CD2 4.06Å; I141-F161 HydrophobicContact CG1-CE1 3.59Å; I141-F161 HydrophobicContact CG1-CE2 3.91Å; I141-F161 HydrophobicContact CG1-CG 3.99Å; I141-F161 HydrophobicContact CG1-CZ 3.68Å; I141-F161 HydrophobicContact CG2-CD2 4.21Å; I141-F161 HydrophobicContact CG2-CE2 4.2Å
162V84.1Confident93.8Very high91 Ų9174.9 Ų74.955%0.55237%0.372SS*.  trans-100.10178.9-173.20000110.3N139 S140 E142 M160N139-V162 VanDerWaalsContact CB-O 3.31Å; N139-V162 WeakPolarHBondContact CB-O 2.85Å; S140-V162 PolarHBondContact O-N 3.35Å; E142-V162 HydrophobicContact CG-CG2 3.96Å; M160-V162 HydrophobicContact CG-CG2 4.44Å

Retrieved 162 of 162 residues in 49.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).