A0A087YS83_POEFO Loading...

TRAF-interacting protein with FHA domain-containing protein A

AlphaFold DB , UniProt , Accession A0A087YS83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 193 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40Very low48.7Very low246 Ų246148.1 Ų148.1100%1.21279%0.792SS**  0109.60-74.1163.6176.600106.4N3M1-N3 PolarHBondContact O-N 3.46Å
2T38.7Very low49.2Very low136 Ų136148.7 Ų148.783%0.83479%0.786SS**  trans-70.3123.6-173.738.40000110.3V4T2-V4 PolarHBondContact O-N 3.4Å
3N44Very low50.4Low158 Ų158143.2 Ų143.285%0.84576%0.758SS**  trans-68.2108.4177.5-135.9-3.8000108.3M1 S5M1-N3 PolarHBondContact O-N 3.46Å; N3-S5 PolarHBondContact O-N 3.11Å
4V48.1Very low53.2Low116 Ų116139.4 Ų139.470%0.70374%0.737SS**  trans-80.998.7168.9179.30000105.7T2 Q6T2-V4 PolarHBondContact O-N 3.4Å; V4-Q6 VanDerWaalsContact C-N 3.29Å; V4-Q6 HydrophobicContact CG1-CG 4.31Å; V4-Q6 PolarHBondContact O-N 3.25Å
5S50.6Low56Low101 Ų101131.9 Ų131.971%0.70670%0.698SS**  trans-67.892.4168.9-58.80000108.2N3 T7N3-S5 PolarHBondContact O-N 3.11Å; S5-T7 VanDerWaalsContact C-N 3.3Å; S5-T7 PolarHBondContact O-N 3.06Å; S5-T7 VanDerWaalsContact O-N 3.08Å
6Q51.8Low58.6Low175 Ų175123.7 Ų123.782%0.81865%0.654SS**  trans-69.592.9160.6-74.1177.2-20.900107V4 M8V4-Q6 VanDerWaalsContact C-N 3.29Å; V4-Q6 HydrophobicContact CG1-CG 4.31Å; V4-Q6 PolarHBondContact O-N 3.25Å; Q6-M8 PolarHBondContact O-N 3.26Å; Q6-M8 VanDerWaalsContact O-N 3.14Å
7T53.5Low60.9Low125 Ų125116.8 Ų116.877%0.76762%0.618SS**  trans-68.7103.8159.733.90000106.7S5 E9S5-T7 VanDerWaalsContact C-N 3.3Å; S5-T7 PolarHBondContact O-N 3.06Å; S5-T7 VanDerWaalsContact O-N 3.08Å; T7-E9 PolarHBondContact O-N 3.42Å
8M49.7Very low62.9Low165 Ų165110.4 Ų110.481%0.81358%0.584SS**  trans-57.9119.4164.7-75.717665.400107.4Q6 T10Q6-M8 PolarHBondContact O-N 3.26Å; Q6-M8 VanDerWaalsContact O-N 3.14Å; M8-T10 PolarHBondContact O-N 3.45Å; M8-T10 VanDerWaalsContact O-N 3.12Å
9E51Low64.8Low172 Ų172106.2 Ų106.280%0.80456%0.56SS**  trans-57.6113.2166.4-63.5176166.700107T7T7-E9 PolarHBondContact O-N 3.42Å
10T57.7Low66.5Low76 Ų76101 Ų10147%0.46653%0.533SS..  trans-80.3156.1175.249.70000109.7M8 E12 D13M8-T10 PolarHBondContact O-N 3.45Å; M8-T10 VanDerWaalsContact O-N 3.12Å; T10-E12 PolarHBondContact O-N 3.36Å; T10-D13 PolarHBondContact N-OD2 3.41Å; T10-D13 VanDerWaalsContact O-CB 3.29Å; T10-D13 WeakPolarHBondContact O-CB 3.4Å; T10-D13 PolarHBondContact O-N 3.47Å; T10-D13 PolarHBondContact OG1-OD2 2.81Å
11E51.3Low68Low159 Ų15999 Ų9974%0.74352%0.52SS*.G310 helixtrans-54.8-20.6175.3-65.8175.3175.600112.2D13 E135E11-D13 VanDerWaalsContact C-N 3.34Å; E11-E135 WeakPolarHBondContact O-CB 3.22Å
12E54.2Low70.8Confident155 Ų15587.3 Ų87.372%0.72446%0.462SS*.G310 helixtrans-80.5-6.6173.1-59.1-166.415500114.8T10T10-E12 PolarHBondContact O-N 3.36Å
13D65Low73.6Confident78 Ų7882.5 Ų82.542%0.41743%0.429SS..G310 helixtrans-92.7-13.8-178.6-66-45.1000113.4T10 E11 L15T10-D13 PolarHBondContact N-OD2 3.41Å; T10-D13 VanDerWaalsContact O-CB 3.29Å; T10-D13 WeakPolarHBondContact O-CB 3.4Å; T10-D13 PolarHBondContact O-N 3.47Å; T10-D13 PolarHBondContact OG1-OD2 2.81Å; E11-D13 VanDerWaalsContact C-N 3.34Å; D13-L15 VanDerWaalsContact C-N 3.31Å; D13-L15 PolarHBondContact O-N 3.13Å
14L89.5Confident76.2Confident90 Ų9075 Ų7547%0.47139%0.389SS..  trans-74.986.1174.7-64.5-177.9000109.9G134 E135 A136L14-G134 CarbonylContact O-C 3.56Å; L14-G134 VanDerWaalsContact O-CA 3.31Å; L14-G134 WeakPolarHBondContact O-CA 3.23Å; L14-E135 HydrophobicContact CB-CB 4.45Å; L14-E135 HydrophobicContact CB-CG 4.45Å; L14-E135 PolarHBondContact O-N 2.94Å; L14-A136 PolarHBondContact O-N 3.31Å; L14-A136 VanDerWaalsContact O-N 3.12Å
15L94.9Very high78.5Confident27 Ų2772.2 Ų72.214%0.14137%0.373CS..  trans-72.9137.4178.6-66.3163.4000110.4D13 L17 R43 A136 S139 E141D13-L15 VanDerWaalsContact C-N 3.31Å; D13-L15 PolarHBondContact O-N 3.13Å; L15-L17 PolarHBondContact O-N 3.24Å; L15-R43 HydrophobicContact CD1-CG 4.29Å; L15-A136 HydrophobicContact CD2-CB 3.62Å; L15-A136 HydrophobicContact CG-CB 4.41Å; L15-S139 WeakPolarHBondContact CD2-O 3.3Å; L15-S139 WeakPolarHBondContact CD2-OG 3.45Å; L15-E141 HydrophobicContact CB-CG 3.87Å; L15-E141 HydrophobicContact CD1-CG 3.54Å; L15-E141 WeakPolarHBondContact CD1-OE1 3.25Å; L15-E141 HydrophobicContact CG-CG 4.29Å
16T97.1Very high80.7Confident0 Ų070.7 Ų70.70%036%0.355CS..EExtended strand (participates in β ladder)trans-59.3135.7164.2-65.10000108.2M86 F88 R131 E132 G134 F140 E141T16-M86 HydrophobicContact CG2-CB 4.31Å; T16-F88 HydrophobicContact CG2-CE2 3.81Å; T16-F88 HydrophobicContact CG2-CZ 4.34Å; T16-R131 HydrophobicContact CG2-CG 4.12Å; T16-E132 WeakPolarHBondContact CA-O 3.5Å; T16-E132 WeakPolarHBondContact CG2-O 3.29Å; T16-G134 PolarHBondContact OG1-N 3.13Å; T16-G134 VanDerWaalsContact OG1-N 3.16Å; T16-G134 PolarHBondContact OG1-O 3.32Å; T16-F140 CarbonylContact O-C 3.57Å; T16-F140 WeakPolarHBondContact O-CA 3.46Å; T16-F140 VanDerWaalsContact O-CB 3.25Å; T16-F140 WeakPolarHBondContact O-CB 3.44Å; T16-E141 PolarHBondContact O-N 3.33Å
17L97.8Very high82.7Confident7 Ų764.3 Ų64.34%0.03733%0.325CS..EExtended strand (participates in β ladder)trans-118.9127.9-177.3175.559.2000110.7L15 H19 R131 E132 E141 D143L15-L17 PolarHBondContact O-N 3.24Å; L17-H19 VanDerWaalsContact CD2-CE1 3.47Å; L17-H19 WeakPolarHBondContact CD2-CE1 3.42Å; L17-H19 WeakPolarHBondContact CD2-NE2 3.49Å; L17-R131 WeakPolarHBondContact O-CA 3.38Å; L17-E132 HydrophobicContact CB-CB 4.29Å; L17-E132 PolarHBondContact N-O 3.15Å; L17-E132 PolarHBondContact O-N 3.42Å; L17-E141 HydrophobicContact CD1-CB 3.61Å; L17-D143 HydrophobicContact CD1-CB 4.05Å
18L98.5Very high84.5Confident2 Ų265.7 Ų65.71%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-99.7109.4168.2-65.8-175000109.7I20 L75 F88 I129 R131 F140 E141 V142 D143L18-I20 HydrophobicContact CB-CG1 4.35Å; L18-L75 HydrophobicContact CD1-CD1 4.19Å; L18-F88 HydrophobicContact CD1-CD1 3.88Å; L18-F88 HydrophobicContact CD1-CD2 4.27Å; L18-F88 HydrophobicContact CD1-CE1 3.71Å; L18-F88 HydrophobicContact CD1-CE2 4.13Å; L18-F88 HydrophobicContact CD1-CG 4.15Å; L18-F88 HydrophobicContact CD1-CZ 3.85Å; L18-F88 HydrophobicContact CD2-CD2 3.8Å; L18-F88 HydrophobicContact CD2-CE2 3.73Å; L18-F88 HydrophobicContact CD2-CG 4.36Å; L18-F88 HydrophobicContact CD2-CZ 4.25Å; L18-F88 HydrophobicContact CG-CD2 4.39Å; L18-F88 HydrophobicContact CG-CE1 4.38Å; L18-F88 HydrophobicContact CG-CE2 4Å; L18-F88 HydrophobicContact CG-CZ 4Å; L18-I129 HydrophobicContact CD2-CG2 4.04Å; L18-R131 HydrophobicContact CD2-CB 3.98Å; L18-R131 HydrophobicContact CD2-CG 4.06Å; L18-F140 HydrophobicContact CD1-CD2 4.34Å; L18-F140 HydrophobicContact CD1-CE2 3.99Å; L18-F140 HydrophobicContact CG-CD2 4.41Å; L18-E141 PolarHBondContact N-O 3.02Å; L18-V142 HydrophobicContact CB-CG2 4.36Å; L18-V142 WeakPolarHBondContact O-CA 3.4Å; L18-D143 PolarHBondContact O-N 3.27Å
19H98.4Very high86.3Confident29 Ų2962.7 Ų62.713%0.13432%0.317CS..EExtended strand (participates in β ladder)trans-81.6115.8164.7-67.6-78.3000109.5L17 I129 V130 E132 D143L17-H19 VanDerWaalsContact CD2-CE1 3.47Å; L17-H19 WeakPolarHBondContact CD2-CE1 3.42Å; L17-H19 WeakPolarHBondContact CD2-NE2 3.49Å; H19-I129 WeakPolarHBondContact O-CA 3.38Å; H19-V130 HydrophobicContact CB-CB 4.29Å; H19-V130 PolarHBondContact N-O 3.37Å; H19-V130 PolarHBondContact O-N 2.95Å; H19-E132 IonicContact CD2-OE1 3.54Å; H19-E132 IonicContact NE2-OE1 3.64Å; H19-E132 PolarHBondContact NE2-OE1 3.05Å; H19-E132 IonicContact NE2-OE2 3.66Å; H19-D143 IonicContact CE1-OD2 3.31Å; H19-D143 IonicContact ND1-OD2 3.14Å; H19-D143 PolarHBondContact ND1-OD2 2.86Å; H19-D143 VanDerWaalsContact ND1-OD2 3.14Å
20I98.4Very high88Confident3 Ų358.6 Ų58.62%0.01530%0.296CS..EExtended strand (participates in β ladder)trans-111112.1179.6-57.1-174.7000109L18 F22 L75 M127 I129 V142 D143 M144 E145L18-I20 HydrophobicContact CB-CG1 4.35Å; I20-F22 HydrophobicContact CB-CE2 4.32Å; I20-F22 HydrophobicContact CG2-CD2 4.06Å; I20-F22 HydrophobicContact CG2-CE1 4.12Å; I20-F22 HydrophobicContact CG2-CE2 3.35Å; I20-F22 HydrophobicContact CG2-CZ 3.39Å; I20-L75 HydrophobicContact CD1-CD1 4.23Å; I20-M127 HydrophobicContact CB-CE 4.47Å; I20-M127 HydrophobicContact CD1-CE 4.02Å; I20-M127 HydrophobicContact CG1-CE 4.41Å; I20-M127 HydrophobicContact CG2-CE 3.31Å; I20-M127 HydrophobicContact CG2-CG 4.02Å; I20-M127 HydrophobicContact CG2-SD 4.45Å; I20-I129 HydrophobicContact CG1-CG1 4.34Å; I20-V142 HydrophobicContact CD1-CG1 3.68Å; I20-V142 HydrophobicContact CG1-CG1 4.09Å; I20-D143 PolarHBondContact N-O 2.77Å; I20-M144 HydrophobicContact CB-CG 4.33Å; I20-M144 HydrophobicContact CD1-CE 4.22Å; I20-M144 WeakPolarHBondContact O-CA 3.34Å; I20-E145 PolarHBondContact O-N 3.08Å; I20-E145 VanDerWaalsContact O-N 3.1Å
21K98.2Very high89.7Confident58 Ų5858 Ų5825%0.25231%0.305SS..EExtended strand (participates in β ladder)trans-109.8120.8-176.6-43.7-178.7168-132.90109.3M127 L128 E145 L147K21-M127 CarbonylContact O-C 3.54Å; K21-M127 WeakPolarHBondContact O-CA 3.22Å; K21-L128 HydrophobicContact CB-CB 4.24Å; K21-L128 HydrophobicContact CD-CD2 4.12Å; K21-L128 PolarHBondContact N-O 3.5Å; K21-L128 PolarHBondContact O-N 2.95Å; K21-E145 WeakPolarHBondContact CA-O 3.21Å; K21-E145 HydrophobicContact CB-CG 3.96Å; K21-E145 HydrophobicContact CD-CG 4.38Å; K21-E145 WeakPolarHBondContact CD-OE1 3.41Å; K21-E145 WeakPolarHBondContact CE-OE1 3.08Å; K21-E145 HydrophobicContact CG-CG 3.7Å; K21-E145 WeakPolarHBondContact CG-OE1 3.28Å; K21-E145 IonicContact NZ-OE1 2.65Å; K21-E145 PolarHBondContact NZ-OE1 2.86Å; K21-L147 HydrophobicContact CB-CD1 3.84Å; K21-L147 HydrophobicContact CB-CD2 4.39Å; K21-L147 HydrophobicContact CB-CG 3.94Å; K21-L147 HydrophobicContact CD-CD1 4.36Å; K21-L147 HydrophobicContact CD-CD2 4.37Å
22F98.1Very high91.8Very high2 Ų250.8 Ų50.81%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-102.7147.5-178.7-66.4-82.1000112.1I20 Y33 L36 L52 M127 M144 E145 V146 L147I20-F22 HydrophobicContact CB-CE2 4.32Å; I20-F22 HydrophobicContact CG2-CD2 4.06Å; I20-F22 HydrophobicContact CG2-CE1 4.12Å; I20-F22 HydrophobicContact CG2-CE2 3.35Å; I20-F22 HydrophobicContact CG2-CZ 3.39Å; F22-Y33 HydrophobicContact CB-CD1 4.25Å; F22-Y33 HydrophobicContact CB-CE1 3.57Å; F22-Y33 HydrophobicContact CD1-CE1 4.21Å; F22-Y33 HydrophobicContact CG-CD1 4.44Å; F22-Y33 AromaticContact CG-CE1 3.97Å; F22-Y33 HydrophobicContact CG-CE1 3.97Å; F22-L36 HydrophobicContact CD2-CD1 3.9Å; F22-L36 HydrophobicContact CE2-CD1 3.71Å; F22-L36 HydrophobicContact CZ-CD1 4.21Å; F22-L52 HydrophobicContact CE1-CD2 3.99Å; F22-L52 HydrophobicContact CZ-CD1 4.45Å; F22-L52 HydrophobicContact CZ-CD2 4.4Å; F22-M127 HydrophobicContact CD1-CB 4.27Å; F22-M127 HydrophobicContact CD1-CG 4.13Å; F22-M127 HydrophobicContact CE1-CB 4.36Å; F22-M127 HydrophobicContact CE1-CE 4.18Å; F22-M127 HydrophobicContact CE1-CG 3.86Å; F22-M127 HydrophobicContact CE1-SD 3.94Å; F22-M127 HydrophobicContact CZ-CE 4.13Å; F22-M127 HydrophobicContact CZ-SD 4.48Å; F22-M144 HydrophobicContact CE2-CE 4.47Å; F22-M144 HydrophobicContact CE2-CG 4.36Å; F22-M144 HydrophobicContact CE2-SD 3.95Å; F22-E145 PolarHBondContact N-O 2.99Å; F22-V146 CarbonylContact O-C 3.56Å; F22-V146 WeakPolarHBondContact O-CA 3.22Å; F22-L147 PolarHBondContact O-N 3.27Å
23Y98.3Very high93.8Very high34 Ų3444.1 Ų44.113%0.13324%0.24CC..EExtended strand (participates in β ladder)trans-143.7141.1167.3172.2-94.5000110.3P25 Y33 E126 V149 P150Y23-P25 HydrophobicContact CE1-CG 4.01Å; Y23-Y33 PolarHBondContact O-OH 3.46Å; Y23-E126 HydrophobicContact CD1-CB 4.35Å; Y23-E126 HydrophobicContact CD1-CG 4.33Å; Y23-E126 PolarHBondContact N-O 3.11Å; Y23-E126 PolarHBondContact O-N 3.2Å; Y23-V149 WeakPolarHBondContact CD2-O 3.33Å; Y23-P150 HydrophobicContact CD1-CB 3.86Å; Y23-P150 HydrophobicContact CD1-CG 4.16Å; Y23-P150 HydrophobicContact CE1-CB 3.71Å; Y23-P150 HydrophobicContact CE1-CG 3.51Å; Y23-P150 HydrophobicContact CE2-CG 4.19Å; Y23-P150 HydrophobicContact CG-CB 4.41Å
24H97.9Very high95.2Very high1 Ų143.6 Ų43.61%0.00525%0.253CS..  trans-142.9134.3167.6-174.4-66.6000109.3Q26 Q27 F32 Y33 E124 Y125H24-Q26 PolarHBondContact ND1-N 3.39Å; H24-Q26 PolarHBondContact O-N 3.33Å; H24-Q27 HydrophobicContact CB-CB 4.3Å; H24-Q27 VanDerWaalsContact O-CB 3.23Å; H24-Q27 WeakPolarHBondContact O-CB 3.47Å; H24-Q27 VanDerWaalsContact O-CD 3.3Å; H24-Q27 WeakPolarHBondContact O-CG 3.29Å; H24-Q27 PolarHBondContact O-N 3.17Å; H24-Q27 PolarHBondContact O-OE1 3.46Å; H24-F32 HydrophobicContact CB-CD2 4.17Å; H24-F32 HydrophobicContact CB-CE2 4.35Å; H24-F32 AromaticContact CD2-CE2 3.89Å; H24-F32 AromaticContact CE1-CE2 3.4Å; H24-F32 WeakPolarHBondContact CE1-CE2 3.5Å; H24-F32 AromaticContact CE1-CZ 3.73Å; H24-F32 AromaticContact CG-CD2 3.87Å; H24-F32 AromaticContact CG-CE2 3.6Å; H24-F32 AromaticContact ND1-CD2 3.94Å; H24-F32 AromaticContact ND1-CE2 3.25Å; H24-F32 VanDerWaalsContact ND1-CE2 3.25Å; H24-F32 WeakPolarHBondContact ND1-CE2 3.27Å; H24-F32 AromaticContact NE2-CE2 3.76Å; H24-F32 AromaticContact NE2-CZ 3.89Å; H24-Y33 VanDerWaalsContact CB-OH 3.22Å; H24-Y33 WeakPolarHBondContact CB-OH 3.48Å; H24-Y33 PolarHBondContact N-OH 2.68Å; H24-Y33 VanDerWaalsContact N-OH 3.07Å; H24-E124 WeakPolarHBondContact NE2-CB 3.49Å; H24-Y125 HydrophobicContact CB-CD1 4.07Å; H24-Y125 HydrophobicContact CB-CE1 4.07Å; H24-Y125 AromaticContact CD2-CD1 3.86Å; H24-Y125 AromaticContact CD2-CD2 3.78Å; H24-Y125 AromaticContact CD2-CE1 3.72Å; H24-Y125 AromaticContact CD2-CE2 3.64Å; H24-Y125 AromaticContact CD2-CG 3.89Å; H24-Y125 AromaticContact CD2-CZ 3.61Å
25P96.7Very high95.5Very high58 Ų5844.2 Ų44.238%0.37726%0.256SS..THydrogen-bonded Turntrans-53.1-37.2-176.4-27.533.1000114.4Y23 H28 E124Y23-P25 HydrophobicContact CE1-CG 4.01Å; P25-H28 PolarHBondContact O-CE1 3.06Å; P25-H28 PolarHBondContact O-ND1 3.35Å; P25-E124 WeakPolarHBondContact CD-O 3.23Å
26Q96.1Very high95.6Very high69 Ų6943.6 Ų43.632%0.32225%0.253SS..THydrogen-bonded Turntrans-92.410.6-179.6-56.7-179.7-1900115.2H24 H28 C29 K30 F32H24-Q26 PolarHBondContact ND1-N 3.39Å; H24-Q26 PolarHBondContact O-N 3.33Å; Q26-H28 PolarHBondContact O-N 3.35Å; Q26-H28 VanDerWaalsContact O-N 3.12Å; Q26-C29 PolarHBondContact O-N 2.99Å; Q26-K30 HydrophobicContact CB-CD 4.19Å; Q26-K30 PolarHBondContact O-N 3.27Å; Q26-F32 HydrophobicContact CB-CE2 4.08Å
27Q94.6Very high95.5Very high40 Ų4046 Ų4619%0.18727%0.268CS..THydrogen-bonded Turntrans-61.5-21.1-174.968.3-165.60.500115H24 K30 Y33 V146 L147H24-Q27 HydrophobicContact CB-CB 4.3Å; H24-Q27 VanDerWaalsContact O-CB 3.23Å; H24-Q27 WeakPolarHBondContact O-CB 3.47Å; H24-Q27 VanDerWaalsContact O-CD 3.3Å; H24-Q27 WeakPolarHBondContact O-CG 3.29Å; H24-Q27 PolarHBondContact O-N 3.17Å; H24-Q27 PolarHBondContact O-OE1 3.46Å; Q27-K30 VanDerWaalsContact O-O 3.08Å; Q27-Y33 HydrophobicContact CB-CD2 4.39Å; Q27-Y33 HydrophobicContact CB-CE2 3.71Å; Q27-V146 VanDerWaalsContact OE1-CG1 3.26Å; Q27-L147 PolarHBondContact NE2-O 3.49Å
28H90.3Very high95.4Very high154 Ų15449 Ų4971%0.71328%0.284SS*.THydrogen-bonded Turntrans-77.2-26176.458.8-84.7000112.7P25 Q26P25-H28 PolarHBondContact O-CE1 3.06Å; P25-H28 PolarHBondContact O-ND1 3.35Å; Q26-H28 PolarHBondContact O-N 3.35Å; Q26-H28 VanDerWaalsContact O-N 3.12Å
29C89.1Confident94.9Very high102 Ų10252.3 Ų52.369%0.68932%0.318SS*.THydrogen-bonded Turntrans-100.5-16.9178.9-720000112.9Q26Q26-C29 PolarHBondContact O-N 2.99Å
30K86.4Confident94.6Very high86 Ų8654.9 Ų54.937%0.37434%0.336SS..SBendtrans-130.2125-172.7-67.7-178.1175177.20110Q26 Q27 F32Q26-K30 HydrophobicContact CB-CD 4.19Å; Q26-K30 PolarHBondContact O-N 3.27Å; Q27-K30 VanDerWaalsContact O-O 3.08Å; K30-F32 HydrophobicContact CB-CD1 4.02Å; K30-F32 HydrophobicContact CB-CD2 3.81Å; K30-F32 HydrophobicContact CB-CE1 3.76Å; K30-F32 HydrophobicContact CB-CE2 3.47Å; K30-F32 VanDerWaalsContact CB-CE2 3.47Å; K30-F32 HydrophobicContact CB-CG 4.1Å; K30-F32 HydrophobicContact CB-CZ 3.52Å; K30-F32 HydrophobicContact CD-CE1 3.61Å; K30-F32 HydrophobicContact CD-CE2 3.76Å; K30-F32 HydrophobicContact CD-CZ 3.1Å; K30-F32 HydrophobicContact CG-CE1 4.31Å; K30-F32 HydrophobicContact CG-CE2 4.22Å; K30-F32 HydrophobicContact CG-CZ 3.94Å; K30-F32 PolarHBondContact O-N 3.14Å
31G91.9Very high94.4Very high64 Ų6461.8 Ų61.866%0.6636%0.362SS*.  trans-73.645.3-179.800000114.6Y33 G34G31-Y33 PolarHBondContact O-N 3.47Å; G31-Y33 VanDerWaalsContact O-N 3.14Å; G31-G34 PolarHBondContact O-N 3.49Å
32F96Very high94.3Very high7 Ų760.3 Ų60.33%0.03136%0.359CS..THydrogen-bonded Turntrans-56.3-32.6-173.8-64.4-51.1000114.2H24 Q26 K30 A64 D65 Y125H24-F32 HydrophobicContact CB-CD2 4.17Å; H24-F32 HydrophobicContact CB-CE2 4.35Å; H24-F32 AromaticContact CD2-CE2 3.89Å; H24-F32 AromaticContact CE1-CE2 3.4Å; H24-F32 WeakPolarHBondContact CE1-CE2 3.5Å; H24-F32 AromaticContact CE1-CZ 3.73Å; H24-F32 AromaticContact CG-CD2 3.87Å; H24-F32 AromaticContact CG-CE2 3.6Å; H24-F32 AromaticContact ND1-CD2 3.94Å; H24-F32 AromaticContact ND1-CE2 3.25Å; H24-F32 VanDerWaalsContact ND1-CE2 3.25Å; H24-F32 WeakPolarHBondContact ND1-CE2 3.27Å; H24-F32 AromaticContact NE2-CE2 3.76Å; H24-F32 AromaticContact NE2-CZ 3.89Å; Q26-F32 HydrophobicContact CB-CE2 4.08Å; K30-F32 HydrophobicContact CB-CD1 4.02Å; K30-F32 HydrophobicContact CB-CD2 3.81Å; K30-F32 HydrophobicContact CB-CE1 3.76Å; K30-F32 HydrophobicContact CB-CE2 3.47Å; K30-F32 VanDerWaalsContact CB-CE2 3.47Å; K30-F32 HydrophobicContact CB-CG 4.1Å; K30-F32 HydrophobicContact CB-CZ 3.52Å; K30-F32 HydrophobicContact CD-CE1 3.61Å; K30-F32 HydrophobicContact CD-CE2 3.76Å; K30-F32 HydrophobicContact CD-CZ 3.1Å; K30-F32 HydrophobicContact CG-CE1 4.31Å; K30-F32 HydrophobicContact CG-CE2 4.22Å; K30-F32 HydrophobicContact CG-CZ 3.94Å; K30-F32 PolarHBondContact O-N 3.14Å; F32-A64 PolarHBondContact O-N 2.79Å; F32-D65 HydrophobicContact CD1-CB 3.74Å; F32-D65 HydrophobicContact CE1-CB 3.9Å; F32-Y125 WeakPolarHBondContact CG-OH 3.4Å
33Y96.8Very high94.2Very high16 Ų1667.3 Ų67.36%0.06339%0.385CS..THydrogen-bonded Turntrans-98.36.1-174-51.5-59.2000113.6F22 Y23 H24 Q27 G31 L35 L36 L63 Y125 V146F22-Y33 HydrophobicContact CB-CD1 4.25Å; F22-Y33 HydrophobicContact CB-CE1 3.57Å; F22-Y33 HydrophobicContact CD1-CE1 4.21Å; F22-Y33 HydrophobicContact CG-CD1 4.44Å; F22-Y33 AromaticContact CG-CE1 3.97Å; F22-Y33 HydrophobicContact CG-CE1 3.97Å; Y23-Y33 PolarHBondContact O-OH 3.46Å; H24-Y33 VanDerWaalsContact CB-OH 3.22Å; H24-Y33 WeakPolarHBondContact CB-OH 3.48Å; H24-Y33 PolarHBondContact N-OH 2.68Å; H24-Y33 VanDerWaalsContact N-OH 3.07Å; Q27-Y33 HydrophobicContact CB-CD2 4.39Å; Q27-Y33 HydrophobicContact CB-CE2 3.71Å; G31-Y33 PolarHBondContact O-N 3.47Å; G31-Y33 VanDerWaalsContact O-N 3.14Å; Y33-L35 PolarHBondContact O-N 3.08Å; Y33-L36 HydrophobicContact CD1-CD1 3.71Å; Y33-L36 HydrophobicContact CG-CD1 4.34Å; Y33-L36 WeakPolarHBondContact O-CB 3.45Å; Y33-L36 PolarHBondContact O-N 2.64Å; Y33-L63 HydrophobicContact CD1-CD2 3.82Å; Y33-L63 HydrophobicContact CE1-CD2 4.07Å; Y33-Y125 HydrophobicContact CE1-CD1 4.26Å; Y33-Y125 AromaticContact CE1-CE1 3.83Å; Y33-Y125 HydrophobicContact CE1-CE1 3.83Å; Y33-V146 HydrophobicContact CD1-CG2 4.49Å; Y33-V146 HydrophobicContact CD2-CB 4.34Å; Y33-V146 HydrophobicContact CD2-CG1 3.77Å; Y33-V146 HydrophobicContact CD2-CG2 3.55Å; Y33-V146 HydrophobicContact CE2-CG1 3.62Å; Y33-V146 HydrophobicContact CE2-CG2 4.06Å; Y33-V146 HydrophobicContact CG-CG2 3.79Å
34G94.8Very high94.2Very high66 Ų6667.3 Ų67.368%0.6839%0.386SS*.THydrogen-bonded Turntrans-64.3-9.3-174.800000115.5G31G31-G34 PolarHBondContact O-N 3.49Å
35L95.8Very high94.1Very high103 Ų10369.5 Ų69.554%0.53940%0.402SS..THydrogen-bonded Turntrans-104.5-0.8176.8-58.1177.8000113Y33 S62 A64Y33-L35 PolarHBondContact O-N 3.08Å; L35-S62 WeakPolarHBondContact CB-O 3.48Å; L35-A64 HydrophobicContact CD1-CB 4.26Å; L35-A64 HydrophobicContact CG-CB 4.43Å
36L96.8Very high94.1Very high15 Ų1567.6 Ų67.68%0.07939%0.391CS..SBendtrans-88.8143.3179.8-61.3-175.7000110.9F22 Y33 L38 S62 L63 M144F22-L36 HydrophobicContact CD2-CD1 3.9Å; F22-L36 HydrophobicContact CE2-CD1 3.71Å; F22-L36 HydrophobicContact CZ-CD1 4.21Å; Y33-L36 HydrophobicContact CD1-CD1 3.71Å; Y33-L36 HydrophobicContact CG-CD1 4.34Å; Y33-L36 WeakPolarHBondContact O-CB 3.45Å; Y33-L36 PolarHBondContact O-N 2.64Å; L36-L38 HydrophobicContact CB-CD2 3.89Å; L36-L38 HydrophobicContact CB-CG 4.1Å; L36-L38 HydrophobicContact CD1-CD2 4.32Å; L36-L38 PolarHBondContact O-N 3.16Å; L36-S62 WeakPolarHBondContact CD2-O 3.47Å; L36-L63 HydrophobicContact CD1-CD2 3.98Å; L36-L63 HydrophobicContact CD2-CD2 4.36Å; L36-L63 HydrophobicContact CG-CD2 4.35Å; L36-M144 HydrophobicContact CB-SD 4.25Å; L36-M144 HydrophobicContact CD1-SD 4.33Å; L36-M144 HydrophobicContact CD2-SD 4.3Å
37P95.5Very high94.1Very high50 Ų5071.1 Ų71.133%0.32541%0.412SS..  trans-78.364175.633.9-35.7000111.3T40 Y61 M144P37-T40 PolarHBondContact O-N 2.61Å; P37-Y61 HydrophobicContact CG-CD1 4.27Å; P37-Y61 HydrophobicContact CG-CE1 3.88Å; P37-M144 HydrophobicContact CG-SD 4.5Å
38L95.3Very high94.2Very high71 Ų7174.4 Ų74.437%0.37243%0.431SS..THydrogen-bonded Turntrans-63.5141.8-177.1-59179.4000111.9L36 T40 M144 V146L36-L38 HydrophobicContact CB-CD2 3.89Å; L36-L38 HydrophobicContact CB-CG 4.1Å; L36-L38 HydrophobicContact CD1-CD2 4.32Å; L36-L38 PolarHBondContact O-N 3.16Å; L38-T40 PolarHBondContact O-N 2.82Å; L38-M144 HydrophobicContact CD2-CB 3.88Å; L38-V146 HydrophobicContact CD1-CG2 3.76Å; L38-V146 HydrophobicContact CD2-CG2 3.97Å
39G88.4Confident94.6Very high70 Ų7068.4 Ų68.472%0.72241%0.405SS*.THydrogen-bonded Turntrans6810.6177.800000114.9M144G39-M144 PolarHBondContact N-O 3.32Å; G39-M144 VanDerWaalsContact N-O 3.15Å
40T91.3Very high95Very high84 Ų8463.8 Ų63.852%0.51537%0.374SS..  trans-121.5129176.1-53.10000109.6P37 L38P37-T40 PolarHBondContact O-N 2.61Å; L38-T40 PolarHBondContact O-N 2.82Å
41R94.6Very high95.6Very high148 Ų14864.5 Ų64.556%0.55837%0.374SS*.  trans-76.9130.1170.4-68-172.5-177.9-179.9-1.6109.8E141 V142 D143R41-E141 WeakPolarHBondContact CD-OE2 3.44Å; R41-V142 WeakPolarHBondContact CA-O 3.23Å; R41-D143 HydrophobicContact CG-CB 4.19Å
42S95.2Very high95.9Very high26 Ų2661.7 Ų61.718%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-120.5130.1178.655.80000110.1H44 Y61 E141 V142S42-H44 WeakPolarHBondContact CB-NE2 3.36Å; S42-H44 PolarHBondContact O-CD2 2.65Å; S42-H44 PolarHBondContact O-NE2 3.31Å; S42-H44 PolarHBondContact OG-NE2 3.01Å; S42-Y61 PolarHBondContact OG-OH 3.19Å; S42-E141 CarbonylContact O-C 3.58Å; S42-E141 WeakPolarHBondContact O-CA 3.48Å; S42-V142 PolarHBondContact N-O 3.25Å; S42-V142 PolarHBondContact O-N 3.39Å; S42-V142 PolarHBondContact OG-O 3.45Å
43R96.4Very high96Very high149 Ų14961.4 Ų61.456%0.56234%0.343SS*.EExtended strand (participates in β ladder)trans-88.2136.4177.2-173.3174.5-179.8169.52.1110.2L15 S139 F140L15-R43 HydrophobicContact CD1-CG 4.29Å; R43-S139 PolarHBondContact NE-OG 2.83Å; R43-S139 PolarHBondContact NH2-OG 2.9Å; R43-F140 WeakPolarHBondContact CA-O 3.49Å
44H97.7Very high96.1Very high35 Ų3566 Ų6616%0.16236%0.36CS..EExtended strand (participates in β ladder)trans-128.4148-178-62.9-83.8000111.2S42 L50 Y61 S139 F140S42-H44 WeakPolarHBondContact CB-NE2 3.36Å; S42-H44 PolarHBondContact O-CD2 2.65Å; S42-H44 PolarHBondContact O-NE2 3.31Å; S42-H44 PolarHBondContact OG-NE2 3.01Å; H44-L50 HydrophobicContact CB-CD2 4.08Å; H44-L50 WeakPolarHBondContact ND1-CD2 3.48Å; H44-Y61 AromaticContact CE1-CZ 3.95Å; H44-Y61 PolarHBondContact CE1-OH 3.08Å; H44-Y61 AromaticContact NE2-CZ 3.89Å; H44-Y61 PolarHBondContact NE2-OH 3.27Å; H44-S139 CarbonylContact O-C 3.57Å; H44-S139 WeakPolarHBondContact O-CA 3.28Å; H44-S139 WeakPolarHBondContact O-CB 3.28Å; H44-F140 HydrophobicContact CB-CD1 4.36Å; H44-F140 HydrophobicContact CB-CE1 3.85Å; H44-F140 HydrophobicContact CB-CE2 4.21Å; H44-F140 HydrophobicContact CB-CZ 3.77Å; H44-F140 PolarHBondContact N-O 3.01Å; H44-F140 PolarHBondContact O-N 2.94Å
45S97.1Very high96.2Very high46 Ų4665.1 Ų65.132%0.32234%0.34SS..EExtended strand (participates in β ladder)trans-70.2139.5168-179.20000109.9D47S45-D47 PolarHBondContact O-N 3.18Å; S45-D47 PolarHBondContact OG-N 3.47Å
46A96.6Very high96.2Very high18 Ų1863.1 Ų63.115%0.14934%0.338CS..THydrogen-bonded Turntrans-68.8-20.6173.700000112.8D48 A77 M86 T138A46-D48 VanDerWaalsContact C-N 3.32Å; A46-A77 HydrophobicContact CB-CB 4.04Å; A46-M86 HydrophobicContact CB-CE 3.75Å; A46-M86 HydrophobicContact CB-SD 4.14Å; A46-T138 PolarHBondContact N-O 3.22Å
47D96.3Very high96.2Very high143 Ų14371.1 Ų71.177%0.76538%0.375SS*.THydrogen-bonded Turntrans-73.6-25.4-178.4-64.1-27.6000112.6S45S45-D47 PolarHBondContact O-N 3.18Å; S45-D47 PolarHBondContact OG-N 3.47Å
48D96.4Very high96.2Very high110 Ų11070.3 Ų70.359%0.58837%0.372SS*.SBendtrans-101.6129.7-175.2-69.3-53.5000111.6A46A46-D48 VanDerWaalsContact C-N 3.32Å
49P97.7Very high96.4Very high27 Ų2767.5 Ų67.518%0.17536%0.359CS..PPolyproline II helixtrans-70.6136.5175.927-32.7000111.7R51 A74 L75P49-R51 PolarHBondContact O-N 3.37Å; P49-A74 HydrophobicContact CB-CB 4.43Å; P49-L75 CarbonylContact C-O 3.52Å; P49-L75 VanDerWaalsContact CA-O 3.27Å; P49-L75 WeakPolarHBondContact CA-O 3.49Å
50L98.4Very high96.8Very high6 Ų667.2 Ų67.23%0.03134%0.343CS..EExtended strand (participates in β ladder)trans-76.6117.2168.3-58.9176.6000109.5H44 T60 Y61 A74 L75 F140 V142H44-L50 HydrophobicContact CB-CD2 4.08Å; H44-L50 WeakPolarHBondContact ND1-CD2 3.48Å; L50-T60 HydrophobicContact CD2-CG2 3.79Å; L50-Y61 HydrophobicContact CB-CE2 4.41Å; L50-Y61 HydrophobicContact CD1-CE2 4.28Å; L50-Y61 HydrophobicContact CD2-CE2 4.13Å; L50-A74 CarbonylContact O-C 3.55Å; L50-A74 VanDerWaalsContact O-CA 3.23Å; L50-A74 WeakPolarHBondContact O-CA 3.46Å; L50-L75 HydrophobicContact CB-CB 4.22Å; L50-L75 HydrophobicContact CD1-CD1 4.49Å; L50-L75 PolarHBondContact N-O 2.71Å; L50-L75 PolarHBondContact O-N 2.84Å; L50-F140 HydrophobicContact CD1-CE2 3.42Å; L50-F140 VanDerWaalsContact CD1-CE2 3.42Å; L50-F140 HydrophobicContact CD1-CZ 3.48Å; L50-F140 VanDerWaalsContact CD1-CZ 3.48Å; L50-F140 HydrophobicContact CD2-CZ 4.21Å; L50-F140 HydrophobicContact CG-CE2 4.22Å; L50-F140 HydrophobicContact CG-CZ 3.76Å; L50-V142 HydrophobicContact CD1-CG2 3.55Å
51R98.6Very high97.2Very high101 Ų10163.9 Ų63.938%0.38132%0.321SS..EExtended strand (participates in β ladder)trans-105.8132.7179.8-69.6175.6-171.9131.25110.1P49 A58 C59 T60 Y61 A74P49-R51 PolarHBondContact O-N 3.37Å; R51-A58 WeakPolarHBondContact CD-O 3.31Å; R51-C59 HydrophobicContact CB-CB 4.16Å; R51-C59 WeakPolarHBondContact O-CB 3.39Å; R51-T60 PolarHBondContact N-OG1 3.33Å; R51-T60 VanDerWaalsContact N-OG1 3.11Å; R51-T60 PolarHBondContact O-N 3.34Å; R51-Y61 PolarHBondContact O-N 3.1Å; R51-A74 HydrophobicContact CG-CB 4.22Å
52L98.7Very high97.3Very high5 Ų557.2 Ų57.23%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-114.1136171.6-177.573.6000108.7F22 Y61 L63 Q72 L73 F122 M127F22-L52 HydrophobicContact CE1-CD2 3.99Å; F22-L52 HydrophobicContact CZ-CD1 4.45Å; F22-L52 HydrophobicContact CZ-CD2 4.4Å; L52-Y61 WeakPolarHBondContact CA-O 3.48Å; L52-L63 HydrophobicContact CD1-CD1 4.3Å; L52-L63 HydrophobicContact CD1-CD2 4.37Å; L52-L63 HydrophobicContact CD1-CG 3.98Å; L52-L63 HydrophobicContact CD2-CD1 4.27Å; L52-L63 HydrophobicContact CG-CD1 4.32Å; L52-L63 HydrophobicContact CG-CG 4.48Å; L52-Q72 WeakPolarHBondContact O-CA 3.41Å; L52-Q72 VanDerWaalsContact O-CB 3.29Å; L52-Q72 WeakPolarHBondContact O-CB 3.44Å; L52-Q72 PolarHBondContact O-N 2.85Å; L52-L73 HydrophobicContact CB-CD1 3.84Å; L52-L73 HydrophobicContact CB-CG 4.01Å; L52-L73 HydrophobicContact CD2-CD1 4.43Å; L52-L73 HydrophobicContact CD2-CD2 4.12Å; L52-L73 HydrophobicContact CD2-CG 4.27Å; L52-L73 PolarHBondContact N-O 3.12Å; L52-L73 PolarHBondContact O-N 2.79Å; L52-L73 VanDerWaalsContact O-N 3.13Å; L52-F122 HydrophobicContact CD2-CE1 4.38Å; L52-F122 HydrophobicContact CD2-CZ 4.15Å; L52-M127 HydrophobicContact CD2-SD 4.17Å
53G98.4Very high97.5Very high0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-177.3-163.417800000110.7Y61 S62 L63 S69G53-Y61 PolarHBondContact N-O 3.13Å; G53-S62 CarbonylContact O-C 3.46Å; G53-S62 VanDerWaalsContact O-CA 3.23Å; G53-S62 WeakPolarHBondContact O-CA 3.44Å; G53-L63 PolarHBondContact O-N 2.81Å; G53-S69 WeakPolarHBondContact CA-O 3.33Å
54R97.9Very high97.5Very high112 Ų11251.3 Ų51.342%0.42328%0.282SS..SBendtrans-98.4-8.2172.768.3168.5178.683.2-5114.4S62 V68 S69 R70R54-S62 VanDerWaalsContact C-OG 3.3Å; R54-S62 PolarHBondContact O-OG 3Å; R54-V68 HydrophobicContact CB-CB 4.35Å; R54-V68 HydrophobicContact CB-CG1 4.48Å; R54-V68 WeakPolarHBondContact CD-O 3.33Å; R54-V68 WeakPolarHBondContact CG-O 3.29Å; R54-V68 PolarHBondContact NE-O 2.77Å; R54-S69 PolarHBondContact N-O 2.89Å; R54-S69 VanDerWaalsContact N-O 3.07Å; R54-R70 PolarHBondContact N-O 2.91Å
55D97.8Very high97.4Very high49 Ų4950.1 Ų50.126%0.26228%0.277SS..  trans-95.8100.3-176.9-173.4-12.2000110.2Q57 A58 C59 R70D55-Q57 PolarHBondContact O-N 2.91Å; D55-Q57 PolarHBondContact OD1-N 2.92Å; D55-Q57 VanDerWaalsContact OD1-N 3.09Å; D55-A58 HydrophobicContact CB-CB 4.14Å; D55-A58 PolarHBondContact O-N 3.06Å; D55-A58 VanDerWaalsContact O-N 3.11Å; D55-C59 VanDerWaalsContact O-CB 3.29Å; D55-C59 WeakPolarHBondContact O-CB 3.24Å; D55-C59 PolarHBondContact O-N 2.79Å; D55-C59 PolarHBondContact O-SG 2.9Å; D55-R70 HydrophobicContact CB-CB 3.96Å; D55-R70 HydrophobicContact CB-CG 4.32Å; D55-R70 WeakPolarHBondContact CB-O 3.39Å; D55-R70 PolarHBondContact N-O 2.92Å
56A95.6Very high97.4Very high61 Ų6153 Ų5350%0.50430%0.295SS..THydrogen-bonded Turntrans-66.4-14.8-177.500000114.1
57Q96.3Very high97.3Very high183 Ų18356.5 Ų56.586%0.85531%0.306SS*.THydrogen-bonded Turntrans-85.8-26.3174.5-61.5-59-5800111.9D55D55-Q57 PolarHBondContact O-N 2.91Å; D55-Q57 PolarHBondContact OD1-N 2.92Å; D55-Q57 VanDerWaalsContact OD1-N 3.09Å
58A96.1Very high97.4Very high32 Ų3249.7 Ų49.726%0.26427%0.27SS..THydrogen-bonded Turntrans-103.4-13.2-176.900000113.8R51 D55 K71R51-A58 WeakPolarHBondContact CD-O 3.31Å; D55-A58 HydrophobicContact CB-CB 4.14Å; D55-A58 PolarHBondContact O-N 3.06Å; D55-A58 VanDerWaalsContact O-N 3.11Å; A58-K71 HydrophobicContact CB-CD 4.38Å; A58-K71 HydrophobicContact CB-CG 4.29Å
59C98.4Very high97.5Very high13 Ų1345 Ų459%0.08825%0.246CC..  trans-119.9140.9-174.3-60.70000111.9R51 D55 Y61 R70R51-C59 HydrophobicContact CB-CB 4.16Å; R51-C59 WeakPolarHBondContact O-CB 3.39Å; D55-C59 VanDerWaalsContact O-CB 3.29Å; D55-C59 WeakPolarHBondContact O-CB 3.24Å; D55-C59 PolarHBondContact O-N 2.79Å; D55-C59 PolarHBondContact O-SG 2.9Å; C59-Y61 VanDerWaalsContact CB-O 3.28Å; C59-Y61 WeakPolarHBondContact CB-O 3.22Å; C59-Y61 PolarHBondContact O-N 3.23Å; C59-R70 PolarHBondContact SG-O 2.91Å
60T98.1Very high97.5Very high64 Ų6451.3 Ų51.339%0.39327%0.266SS..SBendtrans-60.3-39.3169.4-42.20000110.6L50 R51L50-T60 HydrophobicContact CD2-CG2 3.79Å; R51-T60 PolarHBondContact N-OG1 3.33Å; R51-T60 VanDerWaalsContact N-OG1 3.11Å; R51-T60 PolarHBondContact O-N 3.34Å
61Y98.3Very high97.5Very high13 Ų1355.9 Ų55.95%0.05129%0.286CS..EExtended strand (participates in β ladder)trans-127.2133.6-179.8-56.8-61.2000110.3P37 S42 H44 L50 R51 L52 G53 C59 V142 M144P37-Y61 HydrophobicContact CG-CD1 4.27Å; P37-Y61 HydrophobicContact CG-CE1 3.88Å; S42-Y61 PolarHBondContact OG-OH 3.19Å; H44-Y61 AromaticContact CE1-CZ 3.95Å; H44-Y61 PolarHBondContact CE1-OH 3.08Å; H44-Y61 AromaticContact NE2-CZ 3.89Å; H44-Y61 PolarHBondContact NE2-OH 3.27Å; L50-Y61 HydrophobicContact CB-CE2 4.41Å; L50-Y61 HydrophobicContact CD1-CE2 4.28Å; L50-Y61 HydrophobicContact CD2-CE2 4.13Å; R51-Y61 PolarHBondContact O-N 3.1Å; L52-Y61 WeakPolarHBondContact CA-O 3.48Å; G53-Y61 PolarHBondContact N-O 3.13Å; C59-Y61 VanDerWaalsContact CB-O 3.28Å; C59-Y61 WeakPolarHBondContact CB-O 3.22Å; C59-Y61 PolarHBondContact O-N 3.23Å; Y61-V142 HydrophobicContact CE2-CG1 4.42Å; Y61-V142 WeakPolarHBondContact OH-CB 3.37Å; Y61-V142 WeakPolarHBondContact OH-CG1 3.41Å; Y61-M144 HydrophobicContact CD1-CE 3.52Å; Y61-M144 HydrophobicContact CD1-SD 4.23Å; Y61-M144 HydrophobicContact CD2-CE 3.45Å; Y61-M144 VanDerWaalsContact CD2-CE 3.45Å; Y61-M144 HydrophobicContact CE1-CE 3.4Å; Y61-M144 VanDerWaalsContact CE1-CE 3.4Å; Y61-M144 HydrophobicContact CE1-SD 4.26Å; Y61-M144 HydrophobicContact CE2-CE 3.32Å; Y61-M144 HydrophobicContact CG-CE 3.53Å
62S98.1Very high97.5Very high9 Ų951.2 Ų51.26%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-115.9137.1-178.3-165.30000111.8L35 L36 G53 R54L35-S62 WeakPolarHBondContact CB-O 3.48Å; L36-S62 WeakPolarHBondContact CD2-O 3.47Å; G53-S62 CarbonylContact O-C 3.46Å; G53-S62 VanDerWaalsContact O-CA 3.23Å; G53-S62 WeakPolarHBondContact O-CA 3.44Å; R54-S62 VanDerWaalsContact C-OG 3.3Å; R54-S62 PolarHBondContact O-OG 3Å
63L97.9Very high97.5Very high1 Ų151 Ų511%0.00527%0.267CS..  trans-101.4133.3169.8-63.4175.7000109.5Y33 L36 L52 G53 D65 V68 F122 Y125Y33-L63 HydrophobicContact CD1-CD2 3.82Å; Y33-L63 HydrophobicContact CE1-CD2 4.07Å; L36-L63 HydrophobicContact CD1-CD2 3.98Å; L36-L63 HydrophobicContact CD2-CD2 4.36Å; L36-L63 HydrophobicContact CG-CD2 4.35Å; L52-L63 HydrophobicContact CD1-CD1 4.3Å; L52-L63 HydrophobicContact CD1-CD2 4.37Å; L52-L63 HydrophobicContact CD1-CG 3.98Å; L52-L63 HydrophobicContact CD2-CD1 4.27Å; L52-L63 HydrophobicContact CG-CD1 4.32Å; L52-L63 HydrophobicContact CG-CG 4.48Å; G53-L63 PolarHBondContact O-N 2.81Å; L63-D65 PolarHBondContact O-N 2.77Å; L63-V68 HydrophobicContact CB-CG2 4.48Å; L63-V68 HydrophobicContact CD1-CG1 4.45Å; L63-V68 HydrophobicContact CD1-CG2 4.15Å; L63-F122 HydrophobicContact CD1-CE2 4.27Å; L63-F122 HydrophobicContact CD1-CZ 4.04Å; L63-Y125 HydrophobicContact CD1-CD1 4.44Å; L63-Y125 HydrophobicContact CD1-CE1 4Å; L63-Y125 HydrophobicContact CD1-CE2 4.49Å
64A96.9Very high97.5Very high50 Ų5051.2 Ų51.241%0.41327%0.268SS..SBendtrans-79.55317600000111.6F32 L35F32-A64 PolarHBondContact O-N 2.79Å; L35-A64 HydrophobicContact CD1-CB 4.26Å; L35-A64 HydrophobicContact CG-CB 4.43Å
65D96.8Very high97.6Very high9 Ų946.1 Ų46.15%0.04825%0.25CC..  trans-129.6117.6177.9-176.92.1000111.3F32 L63 K67 V68 Y125F32-D65 HydrophobicContact CD1-CB 3.74Å; F32-D65 HydrophobicContact CE1-CB 3.9Å; L63-D65 PolarHBondContact O-N 2.77Å; D65-K67 PolarHBondContact O-N 2.75Å; D65-K67 WeakPolarHBondContact OD1-CB 3.33Å; D65-K67 PolarHBondContact OD1-N 3.24Å; D65-V68 HydrophobicContact CB-CB 4.43Å; D65-V68 HydrophobicContact CB-CG2 3.78Å; D65-V68 PolarHBondContact O-N 2.99Å; D65-Y125 VanDerWaalsContact CB-OH 3.25Å; D65-Y125 WeakPolarHBondContact CB-OH 3.25Å; D65-Y125 WeakPolarHBondContact OD2-CE2 3.49Å; D65-Y125 PolarHBondContact OD2-OH 3.26Å
66P95.4Very high97.6Very high108 Ų10845.5 Ų45.570%0.70125%0.246SC*.THydrogen-bonded Turntrans-65.1-19.9176.827.7-36.1000113.9V68P66-V68 VanDerWaalsContact C-N 3.33Å
67K96Very high97.7Very high90 Ų9043.6 Ų43.639%0.39123%0.231SC..THydrogen-bonded Turntrans-70.3-31.4175.7-63.3-177.6-179.4-178.40111.8D65 R96 L123 E124D65-K67 PolarHBondContact O-N 2.75Å; D65-K67 WeakPolarHBondContact OD1-CB 3.33Å; D65-K67 PolarHBondContact OD1-N 3.24Å; K67-R96 PolarHBondContact O-NH1 2.84Å; K67-L123 HydrophobicContact CB-CD1 3.89Å; K67-E124 IonicContact NZ-OE2 2.91Å; K67-E124 PolarHBondContact NZ-OE2 3.29Å
68V97.7Very high97.8Very high0 Ų037.9 Ų37.90%020%0.202CC..SBendtrans-65.5142-179.8176.90000110.5R54 L63 D65 P66 Q72 F122 L123 Y125R54-V68 HydrophobicContact CB-CB 4.35Å; R54-V68 HydrophobicContact CB-CG1 4.48Å; R54-V68 WeakPolarHBondContact CD-O 3.33Å; R54-V68 WeakPolarHBondContact CG-O 3.29Å; R54-V68 PolarHBondContact NE-O 2.77Å; L63-V68 HydrophobicContact CB-CG2 4.48Å; L63-V68 HydrophobicContact CD1-CG1 4.45Å; L63-V68 HydrophobicContact CD1-CG2 4.15Å; D65-V68 HydrophobicContact CB-CB 4.43Å; D65-V68 HydrophobicContact CB-CG2 3.78Å; D65-V68 PolarHBondContact O-N 2.99Å; P66-V68 VanDerWaalsContact C-N 3.33Å; V68-Q72 HydrophobicContact CG1-CB 3.9Å; V68-Q72 HydrophobicContact CG1-CG 4.29Å; V68-F122 HydrophobicContact CG2-CE2 4.25Å; V68-L123 HydrophobicContact CG2-CD1 4Å; V68-Y125 HydrophobicContact CG2-CD2 4.44Å; V68-Y125 HydrophobicContact CG2-CE2 3.67Å
69S98.2Very high97.8Very high12 Ų1241.7 Ų41.78%0.08421%0.21CC..  trans-66.1153.2175.8-75.90000111.2G53 R54 K71 S94G53-S69 WeakPolarHBondContact CA-O 3.33Å; R54-S69 PolarHBondContact N-O 2.89Å; R54-S69 VanDerWaalsContact N-O 3.07Å; S69-K71 VanDerWaalsContact CB-O 3.28Å; S69-K71 WeakPolarHBondContact CB-O 3.47Å; S69-K71 PolarHBondContact O-N 2.75Å; S69-K71 VanDerWaalsContact O-N 3.14Å; S69-S94 PolarHBondContact OG-OG 2.75Å
70R97.8Very high97.6Very high159 Ų15943.3 Ų43.360%0.622%0.219SC*.SBendtrans-49.3-44175.9-75-173.6-72178.3-2.6111.4R54 D55 C59R54-R70 PolarHBondContact N-O 2.91Å; D55-R70 HydrophobicContact CB-CB 3.96Å; D55-R70 HydrophobicContact CB-CG 4.32Å; D55-R70 WeakPolarHBondContact CB-O 3.39Å; D55-R70 PolarHBondContact N-O 2.92Å; C59-R70 PolarHBondContact SG-O 2.91Å
71K98.3Very high97.4Very high102 Ų10247 Ų4744%0.44324%0.244SC..SBendtrans-122.7117.8166.3-65.2177.2-76.3-176.80106.8A58 S69 L93A58-K71 HydrophobicContact CB-CD 4.38Å; A58-K71 HydrophobicContact CB-CG 4.29Å; S69-K71 VanDerWaalsContact CB-O 3.28Å; S69-K71 WeakPolarHBondContact CB-O 3.47Å; S69-K71 PolarHBondContact O-N 2.75Å; S69-K71 VanDerWaalsContact O-N 3.14Å; K71-L93 HydrophobicContact CB-CB 3.89Å; K71-L93 HydrophobicContact CB-CD1 3.95Å; K71-L93 CarbonylContact O-C 3.37Å
72Q98.6Very high97.1Very high4 Ų456.2 Ų56.22%0.01928%0.284CS..  trans-94.8-51.2-177-178.161.835.500110.6L52 V68 N92 L93 S94 F122L52-Q72 WeakPolarHBondContact O-CA 3.41Å; L52-Q72 VanDerWaalsContact O-CB 3.29Å; L52-Q72 WeakPolarHBondContact O-CB 3.44Å; L52-Q72 PolarHBondContact O-N 2.85Å; V68-Q72 HydrophobicContact CG1-CB 3.9Å; V68-Q72 HydrophobicContact CG1-CG 4.29Å; Q72-N92 PolarHBondContact O-OD1 2.84Å; Q72-L93 PolarHBondContact O-N 2.97Å; Q72-S94 PolarHBondContact O-N 3.44Å; Q72-F122 HydrophobicContact CG-CD1 4.39Å; Q72-F122 HydrophobicContact CG-CD2 3.68Å; Q72-F122 HydrophobicContact CG-CE2 3.82Å; Q72-F122 HydrophobicContact CG-CG 3.99Å; Q72-F122 HydrophobicContact CG-CZ 4.24Å
73L98.7Very high96.6Very high1 Ų157.4 Ų57.41%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-150.2163.7-179.762.284.2000111.1L52 L75 I90 Q91 L99 I120 F122 M127L52-L73 HydrophobicContact CB-CD1 3.84Å; L52-L73 HydrophobicContact CB-CG 4.01Å; L52-L73 HydrophobicContact CD2-CD1 4.43Å; L52-L73 HydrophobicContact CD2-CD2 4.12Å; L52-L73 HydrophobicContact CD2-CG 4.27Å; L52-L73 PolarHBondContact N-O 3.12Å; L52-L73 PolarHBondContact O-N 2.79Å; L52-L73 VanDerWaalsContact O-N 3.13Å; L73-L75 HydrophobicContact CD1-CG 4.41Å; L73-I90 HydrophobicContact CD1-CD1 4.49Å; L73-I90 HydrophobicContact CD2-CD1 4.3Å; L73-Q91 CarbonylContact C-O 3.55Å; L73-Q91 VanDerWaalsContact CA-O 3.22Å; L73-Q91 WeakPolarHBondContact CA-O 3.39Å; L73-Q91 WeakPolarHBondContact CB-O 3.2Å; L73-L99 HydrophobicContact CB-CD2 3.97Å; L73-L99 HydrophobicContact CD2-CD1 3.92Å; L73-L99 HydrophobicContact CD2-CD2 4.46Å; L73-I120 HydrophobicContact CD2-CG2 4.34Å; L73-F122 HydrophobicContact CD2-CD1 4.25Å; L73-F122 HydrophobicContact CD2-CE1 4.06Å; L73-M127 HydrophobicContact CD2-SD 4.23Å
74A98.8Very high96.2Very high3 Ų362.1 Ų62.13%0.02532%0.323CS..EExtended strand (participates in β ladder)trans-129.3143168.400000111.2P49 L50 R51 I90 Q91 L93P49-A74 HydrophobicContact CB-CB 4.43Å; L50-A74 CarbonylContact O-C 3.55Å; L50-A74 VanDerWaalsContact O-CA 3.23Å; L50-A74 WeakPolarHBondContact O-CA 3.46Å; R51-A74 HydrophobicContact CG-CB 4.22Å; A74-I90 CarbonylContact O-C 3.53Å; A74-I90 WeakPolarHBondContact O-CA 3.33Å; A74-Q91 PolarHBondContact N-O 2.84Å; A74-Q91 PolarHBondContact O-N 3.48Å; A74-L93 HydrophobicContact CB-CD1 3.82Å; A74-L93 HydrophobicContact CB-CG 4.33Å
75L98.8Very high96Very high6 Ų661.4 Ų61.43%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-104130.8165.4-55175.5000108.6L18 I20 P49 L50 L73 S89 I90 L114 I129L18-L75 HydrophobicContact CD1-CD1 4.19Å; I20-L75 HydrophobicContact CD1-CD1 4.23Å; P49-L75 CarbonylContact C-O 3.52Å; P49-L75 VanDerWaalsContact CA-O 3.27Å; P49-L75 WeakPolarHBondContact CA-O 3.49Å; L50-L75 HydrophobicContact CB-CB 4.22Å; L50-L75 HydrophobicContact CD1-CD1 4.49Å; L50-L75 PolarHBondContact N-O 2.71Å; L50-L75 PolarHBondContact O-N 2.84Å; L73-L75 HydrophobicContact CD1-CG 4.41Å; L75-S89 CarbonylContact C-O 3.59Å; L75-S89 WeakPolarHBondContact CA-O 3.39Å; L75-I90 HydrophobicContact CD2-CB 3.94Å; L75-I90 HydrophobicContact CD2-CD1 4Å; L75-I90 HydrophobicContact CD2-CG1 3.91Å; L75-L114 HydrophobicContact CD2-CD1 3.68Å; L75-I129 HydrophobicContact CD1-CD1 3.78Å; L75-I129 HydrophobicContact CD2-CD1 3.9Å; L75-I129 HydrophobicContact CG-CD1 4.49Å
76N98.6Very high96Very high35 Ų3561.1 Ų61.119%0.18731%0.311CS..EExtended strand (participates in β ladder)trans-120.6115.7-179-71.694.3000109F88 S89 R111N76-F88 CarbonylContact O-C 3.55Å; N76-F88 WeakPolarHBondContact O-CA 3.42Å; N76-S89 WeakPolarHBondContact CB-OG 3.43Å; N76-S89 PolarHBondContact N-O 2.87Å; N76-S89 PolarHBondContact O-N 2.81Å; N76-R111 VanDerWaalsContact CG-NH2 3.29Å; N76-R111 PolarHBondContact OD1-NH2 3.19Å
77A98.3Very high96.1Very high22 Ų2257.4 Ų57.418%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-67.3142.617000000110.1A46 M86 L87 F88 F140A46-A77 HydrophobicContact CB-CB 4.04Å; A77-M86 HydrophobicContact CB-CG 4.02Å; A77-M86 HydrophobicContact CB-SD 3.76Å; A77-L87 CarbonylContact C-O 3.59Å; A77-L87 WeakPolarHBondContact CA-O 2.95Å; A77-F88 HydrophobicContact CB-CD1 4.06Å; A77-F88 HydrophobicContact CB-CE1 3.66Å; A77-F88 HydrophobicContact CB-CZ 4.3Å; A77-F140 HydrophobicContact CB-CE1 4.32Å
78Y97.5Very high96.2Very high63 Ų6353.3 Ų53.325%0.24727%0.267CS..EExtended strand (participates in β ladder)trans-153167.5172.172.1-78.5000110.4T80 L87 F88 D113Y78-T80 HydrophobicContact CD2-CG2 4.02Å; Y78-T80 HydrophobicContact CE2-CG2 3.64Å; Y78-L87 HydrophobicContact CD1-CB 4.05Å; Y78-L87 WeakPolarHBondContact CD1-O 2.95Å; Y78-L87 HydrophobicContact CD2-CB 4.37Å; Y78-L87 HydrophobicContact CE1-CB 3.59Å; Y78-L87 HydrophobicContact CE2-CB 3.97Å; Y78-L87 HydrophobicContact CE2-CD1 3.95Å; Y78-L87 HydrophobicContact CG-CB 4.41Å; Y78-L87 PolarHBondContact N-O 2.83Å; Y78-L87 PolarHBondContact O-N 3.14Å; Y78-F88 VanDerWaalsContact CE1-C 3.42Å; Y78-D113 WeakPolarHBondContact OH-CB 3.46Å; Y78-D113 PolarHBondContact OH-OD1 2.82Å; Y78-D113 PolarHBondContact OH-OD2 2.9Å
79R95.8Very high96.3Very high112 Ų11253.6 Ų53.642%0.42327%0.269SS..EExtended strand (participates in β ladder)trans-128.9155.3174.2-63-177.270.5-137.4-1.8109.2P84R79-P84 PolarHBondContact NE-O 2.92Å; R79-P84 PolarHBondContact NH2-O 2.71Å
80T94.6Very high96.3Very high47 Ų4753 Ų5329%0.28827%0.265SS..EExtended strand (participates in β ladder)trans-120.9154.4174.671.80000109.8Y78 K82 S83 L87Y78-T80 HydrophobicContact CD2-CG2 4.02Å; Y78-T80 HydrophobicContact CE2-CG2 3.64Å; T80-K82 PolarHBondContact O-N 2.83Å; T80-K82 VanDerWaalsContact O-N 3.1Å; T80-K82 PolarHBondContact OG1-N 2.86Å; T80-S83 PolarHBondContact O-N 2.94Å; T80-S83 PolarHBondContact OG1-N 2.64Å; T80-L87 HydrophobicContact CG2-CD1 3.97Å
81P93.5Very high96.4Very high142 Ų14247.3 Ų47.392%0.92225%0.245SC*.THydrogen-bonded Turntrans-62.8-15.8174-23.334.2000114
82K91.8Very high96.4Very high206 Ų20642.4 Ų42.490%0.89622%0.224SC*.THydrogen-bonded Turntrans-95.2-12.6-173.7-62-179.2-179.7178.10113.4T80T80-K82 PolarHBondContact O-N 2.83Å; T80-K82 VanDerWaalsContact O-N 3.1Å; T80-K82 PolarHBondContact OG1-N 2.86Å
83S89Confident96.4Very high33 Ų3343.8 Ų43.823%0.23123%0.231CC..EExtended strand (participates in β ladder)trans-134.6133.2-176.8-176.20000110.1T80 D85T80-S83 PolarHBondContact O-N 2.94Å; T80-S83 PolarHBondContact OG1-N 2.64Å; S83-D85 PolarHBondContact O-N 2.65Å; S83-D85 PolarHBondContact OG-N 3.12Å
84P88.6Confident96.3Very high101 Ų10143.9 Ų43.966%0.65623%0.232SC*.EExtended strand (participates in β ladder)trans-67.2-29.7173.928.3-32.4000111.9R79R79-P84 PolarHBondContact NE-O 2.92Å; R79-P84 PolarHBondContact NH2-O 2.71Å
85D94.1Very high96.2Very high35 Ų3550.7 Ų50.719%0.18726%0.264CS..EExtended strand (participates in β ladder)trans-62.5151.6-172.8-68.315.8000114.3S83 L87 R131 S133S83-D85 PolarHBondContact O-N 2.65Å; S83-D85 PolarHBondContact OG-N 3.12Å; D85-L87 HydrophobicContact CB-CD2 4.29Å; D85-R131 IonicContact OD2-CZ 2.9Å; D85-R131 IonicContact OD2-NH1 2.65Å; D85-R131 PolarHBondContact OD2-NH1 2.79Å; D85-R131 IonicContact OD2-NH2 3.16Å; D85-R131 PolarHBondContact OD2-NH2 2.89Å; D85-S133 WeakPolarHBondContact OD2-CB 3.41Å; D85-S133 PolarHBondContact OD2-OG 2.91Å
86M95.9Very high95.9Very high3 Ų358.9 Ų58.92%0.01529%0.294CS..EExtended strand (participates in β ladder)trans-76.4123.7159.5-169.3178.9-59.400109.9T16 A46 A77 F88 R131 K137 F140T16-M86 HydrophobicContact CG2-CB 4.31Å; A46-M86 HydrophobicContact CB-CE 3.75Å; A46-M86 HydrophobicContact CB-SD 4.14Å; A77-M86 HydrophobicContact CB-CG 4.02Å; A77-M86 HydrophobicContact CB-SD 3.76Å; M86-F88 HydrophobicContact CG-CE2 4.13Å; M86-F88 HydrophobicContact CG-CZ 4.02Å; M86-F88 HydrophobicContact SD-CE1 4.36Å; M86-F88 HydrophobicContact SD-CE2 4.38Å; M86-F88 HydrophobicContact SD-CZ 3.73Å; M86-R131 PolarHBondContact O-NH1 3.21Å; M86-K137 WeakPolarHBondContact CE-O 3.21Å; M86-F140 HydrophobicContact CE-CB 4.36Å; M86-F140 HydrophobicContact SD-CB 3.73Å; M86-F140 HydrophobicContact SD-CD1 3.67Å; M86-F140 HydrophobicContact SD-CG 3.94Å
87L97.8Very high95.4Very high30 Ų3058.8 Ų58.816%0.15730%0.301CS..EExtended strand (participates in β ladder)trans-108.9164.7177.5-57.7179.5000109.8A77 Y78 T80 D85A77-L87 CarbonylContact C-O 3.59Å; A77-L87 WeakPolarHBondContact CA-O 2.95Å; Y78-L87 HydrophobicContact CD1-CB 4.05Å; Y78-L87 WeakPolarHBondContact CD1-O 2.95Å; Y78-L87 HydrophobicContact CD2-CB 4.37Å; Y78-L87 HydrophobicContact CE1-CB 3.59Å; Y78-L87 HydrophobicContact CE2-CB 3.97Å; Y78-L87 HydrophobicContact CE2-CD1 3.95Å; Y78-L87 HydrophobicContact CG-CB 4.41Å; Y78-L87 PolarHBondContact N-O 2.83Å; Y78-L87 PolarHBondContact O-N 3.14Å; T80-L87 HydrophobicContact CG2-CD1 3.97Å; D85-L87 HydrophobicContact CB-CD2 4.29Å
88F98.6Very high95.2Very high3 Ų364.2 Ų64.21%0.01332%0.323CS..EExtended strand (participates in β ladder)trans-132139.9-178.6-65.6-91.5000111.1T16 L18 N76 A77 Y78 M86 L114 F140T16-F88 HydrophobicContact CG2-CE2 3.81Å; T16-F88 HydrophobicContact CG2-CZ 4.34Å; L18-F88 HydrophobicContact CD1-CD1 3.88Å; L18-F88 HydrophobicContact CD1-CD2 4.27Å; L18-F88 HydrophobicContact CD1-CE1 3.71Å; L18-F88 HydrophobicContact CD1-CE2 4.13Å; L18-F88 HydrophobicContact CD1-CG 4.15Å; L18-F88 HydrophobicContact CD1-CZ 3.85Å; L18-F88 HydrophobicContact CD2-CD2 3.8Å; L18-F88 HydrophobicContact CD2-CE2 3.73Å; L18-F88 HydrophobicContact CD2-CG 4.36Å; L18-F88 HydrophobicContact CD2-CZ 4.25Å; L18-F88 HydrophobicContact CG-CD2 4.39Å; L18-F88 HydrophobicContact CG-CE1 4.38Å; L18-F88 HydrophobicContact CG-CE2 4Å; L18-F88 HydrophobicContact CG-CZ 4Å; N76-F88 CarbonylContact O-C 3.55Å; N76-F88 WeakPolarHBondContact O-CA 3.42Å; A77-F88 HydrophobicContact CB-CD1 4.06Å; A77-F88 HydrophobicContact CB-CE1 3.66Å; A77-F88 HydrophobicContact CB-CZ 4.3Å; Y78-F88 VanDerWaalsContact CE1-C 3.42Å; M86-F88 HydrophobicContact CG-CE2 4.13Å; M86-F88 HydrophobicContact CG-CZ 4.02Å; M86-F88 HydrophobicContact SD-CE1 4.36Å; M86-F88 HydrophobicContact SD-CE2 4.38Å; M86-F88 HydrophobicContact SD-CZ 3.73Å; F88-L114 HydrophobicContact CB-CD1 4.22Å; F88-L114 WeakPolarHBondContact O-CB 3.34Å; F88-L114 PolarHBondContact O-N 2.92Å; F88-F140 HydrophobicContact CE1-CD1 4.21Å; F88-F140 AromaticContact CE1-CD2 3.94Å; F88-F140 HydrophobicContact CE1-CD2 3.94Å; F88-F140 HydrophobicContact CE1-CE1 4.05Å; F88-F140 AromaticContact CE1-CE2 3.73Å; F88-F140 HydrophobicContact CE1-CE2 3.73Å; F88-F140 HydrophobicContact CE1-CG 4.17Å; F88-F140 AromaticContact CE1-CZ 3.8Å; F88-F140 HydrophobicContact CE1-CZ 3.8Å; F88-F140 HydrophobicContact CZ-CB 4.27Å; F88-F140 HydrophobicContact CZ-CD1 4.18Å; F88-F140 AromaticContact CZ-CD2 3.7Å; F88-F140 HydrophobicContact CZ-CD2 3.7Å; F88-F140 HydrophobicContact CZ-CE1 4.46Å; F88-F140 AromaticContact CZ-CE2 3.99Å; F88-F140 HydrophobicContact CZ-CE2 3.99Å; F88-F140 AromaticContact CZ-CG 3.79Å; F88-F140 HydrophobicContact CZ-CG 3.79Å; F88-F140 HydrophobicContact CZ-CZ 4.37Å
89S98.7Very high95.2Very high6 Ų661.2 Ų61.24%0.04231%0.311CS..EExtended strand (participates in β ladder)trans-111.2151.4166.361.20000109.3L75 N76 R111 M112L75-S89 CarbonylContact C-O 3.59Å; L75-S89 WeakPolarHBondContact CA-O 3.39Å; N76-S89 WeakPolarHBondContact CB-OG 3.43Å; N76-S89 PolarHBondContact N-O 2.87Å; N76-S89 PolarHBondContact O-N 2.81Å; S89-R111 WeakPolarHBondContact OG-CD 3.16Å; S89-M112 CarbonylContact C-O 3.55Å; S89-M112 VanDerWaalsContact CA-O 3.29Å; S89-M112 WeakPolarHBondContact CA-O 3.38Å; S89-M112 WeakPolarHBondContact CB-O 3.11Å
90I98.8Very high95.3Very high0 Ų057.1 Ų57.10%030%0.3CS..EExtended strand (participates in β ladder)trans-113.4136.3175.5-173.6165.3000109.9L73 A74 L75 L99 V101 L106 R111 M112 L114 I120L73-I90 HydrophobicContact CD1-CD1 4.49Å; L73-I90 HydrophobicContact CD2-CD1 4.3Å; A74-I90 CarbonylContact O-C 3.53Å; A74-I90 WeakPolarHBondContact O-CA 3.33Å; L75-I90 HydrophobicContact CD2-CB 3.94Å; L75-I90 HydrophobicContact CD2-CD1 4Å; L75-I90 HydrophobicContact CD2-CG1 3.91Å; I90-L99 HydrophobicContact CD1-CD2 3.82Å; I90-L99 HydrophobicContact CG1-CD2 3.88Å; I90-V101 HydrophobicContact CD1-CG2 4.44Å; I90-V101 HydrophobicContact CG2-CG2 3.62Å; I90-L106 HydrophobicContact CG2-CD1 4.2Å; I90-R111 CarbonylContact O-C 3.53Å; I90-R111 WeakPolarHBondContact O-CA 3.4Å; I90-R111 WeakPolarHBondContact O-CG 3.43Å; I90-M112 PolarHBondContact N-O 3.1Å; I90-M112 PolarHBondContact O-N 3.01Å; I90-L114 HydrophobicContact CB-CD1 4.13Å; I90-L114 HydrophobicContact CB-CD2 3.96Å; I90-L114 HydrophobicContact CB-CG 3.98Å; I90-L114 HydrophobicContact CG2-CD2 3.49Å; I90-L114 VanDerWaalsContact CG2-CD2 3.49Å; I90-L114 HydrophobicContact CG2-CG 3.9Å; I90-I120 HydrophobicContact CD1-CD1 3.35Å; I90-I120 HydrophobicContact CD1-CG1 3.86Å; I90-I120 HydrophobicContact CD1-CG2 4.08Å
91Q98.8Very high95.5Very high39 Ų3955 Ų5518%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-124.7133.9177.4-172.6175.624.900110.5L73 A74 L93 L109 E110 R111L73-Q91 CarbonylContact C-O 3.55Å; L73-Q91 VanDerWaalsContact CA-O 3.22Å; L73-Q91 WeakPolarHBondContact CA-O 3.39Å; L73-Q91 WeakPolarHBondContact CB-O 3.2Å; A74-Q91 PolarHBondContact N-O 2.84Å; A74-Q91 PolarHBondContact O-N 3.48Å; Q91-L93 HydrophobicContact CG-CD2 4.2Å; Q91-L109 PolarHBondContact NE2-O 2.75Å; Q91-E110 WeakPolarHBondContact CA-O 3.38Å; Q91-R111 HydrophobicContact CB-CB 4.17Å; Q91-R111 HydrophobicContact CB-CG 4.4Å; Q91-R111 HydrophobicContact CG-CB 4.19Å
92N98.8Very high95.6Very high0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-78.4125.2171.5-178.111.3000110.2Q72 S94 G97 L99 L106 G107 L109 E110Q72-N92 PolarHBondContact O-OD1 2.84Å; N92-S94 VanDerWaalsContact OD1-CB 3.28Å; N92-S94 WeakPolarHBondContact OD1-CB 3.35Å; N92-S94 PolarHBondContact OD1-N 2.89Å; N92-G97 PolarHBondContact ND2-O 2.83Å; N92-L99 HydrophobicContact CB-CB 3.81Å; N92-L99 HydrophobicContact CB-CD2 3.96Å; N92-L106 HydrophobicContact CB-CB 4.17Å; N92-L106 PolarHBondContact ND2-O 2.88Å; N92-G107 VanDerWaalsContact CB-O 3.26Å; N92-G107 WeakPolarHBondContact CB-O 3.5Å; N92-G107 PolarHBondContact ND2-O 2.98Å; N92-L109 VanDerWaalsContact O-CA 3.28Å; N92-L109 WeakPolarHBondContact O-CA 3.48Å; N92-L109 PolarHBondContact O-N 3.14Å; N92-E110 PolarHBondContact N-O 3.25Å
93L98.6Very high95.8Very high32 Ų3244.5 Ų44.517%0.16825%0.247CC..  trans-107.4-2.6177.1-59.8-177.1000112.8K71 Q72 A74 Q91 L109K71-L93 HydrophobicContact CB-CB 3.89Å; K71-L93 HydrophobicContact CB-CD1 3.95Å; K71-L93 CarbonylContact O-C 3.37Å; Q72-L93 PolarHBondContact O-N 2.97Å; A74-L93 HydrophobicContact CB-CD1 3.82Å; A74-L93 HydrophobicContact CB-CG 4.33Å; Q91-L93 HydrophobicContact CG-CD2 4.2Å; L93-L109 HydrophobicContact CD2-CD2 4.15Å
94S98.1Very high96.1Very high3 Ų345.8 Ų45.82%0.02126%0.256CS..  trans-83.6126.2179-174.90000111.2S69 Q72 N92 R96 G97S69-S94 PolarHBondContact OG-OG 2.75Å; Q72-S94 PolarHBondContact O-N 3.44Å; N92-S94 VanDerWaalsContact OD1-CB 3.28Å; N92-S94 WeakPolarHBondContact OD1-CB 3.35Å; N92-S94 PolarHBondContact OD1-N 2.89Å; S94-R96 VanDerWaalsContact C-N 3.35Å; S94-R96 PolarHBondContact OG-N 2.95Å; S94-G97 PolarHBondContact OG-N 2.85Å
95Q96.3Very high96.6Very high147 Ų14743.6 Ų43.669%0.68724%0.243SC*.SBendtrans-84-13.4167.7-65.6178.57.700112.5Y108Q95-Y108 HydrophobicContact CB-CD2 4.4Å; Q95-Y108 HydrophobicContact CG-CD1 4.03Å; Q95-Y108 HydrophobicContact CG-CD2 3.46Å; Q95-Y108 VanDerWaalsContact CG-CD2 3.46Å; Q95-Y108 HydrophobicContact CG-CE1 4.02Å; Q95-Y108 HydrophobicContact CG-CE2 3.45Å; Q95-Y108 VanDerWaalsContact CG-CE2 3.45Å; Q95-Y108 HydrophobicContact CG-CG 3.76Å; Q95-Y108 PolarHBondContact NE2-OH 2.94Å
96R91.6Very high96.8Very high178 Ų17842.2 Ų42.267%0.67224%0.236SC*.SBendtrans-92.2-17.6-170.7-67.5177.664.6-1551.1113.9K67 S94K67-R96 PolarHBondContact O-NH1 2.84Å; S94-R96 VanDerWaalsContact C-N 3.35Å; S94-R96 PolarHBondContact OG-N 2.95Å
97G88.5Confident96.9Very high33 Ų3343 Ų4334%0.3424%0.244SC..SBendtrans-165155.3-172.300000111.4N92 S94N92-G97 PolarHBondContact ND2-O 2.83Å; S94-G97 PolarHBondContact OG-N 2.85Å
98Q93.2Very high96.9Very high135 Ų13547 Ų4763%0.63126%0.258SS*.  trans-75.5150.4175.6-69.2178.6-0.600110.7S105Q98-S105 WeakPolarHBondContact CB-OG 3.33Å; Q98-S105 PolarHBondContact OE1-OG 2.84Å
99L97.9Very high96.9Very high0 Ų051 Ų510%028%0.279CS..EExtended strand (participates in β ladder)trans-107.2132.9167.7179.170.5000106.4L73 I90 N92 S105 L106 I120 F122L73-L99 HydrophobicContact CB-CD2 3.97Å; L73-L99 HydrophobicContact CD2-CD1 3.92Å; L73-L99 HydrophobicContact CD2-CD2 4.46Å; I90-L99 HydrophobicContact CD1-CD2 3.82Å; I90-L99 HydrophobicContact CG1-CD2 3.88Å; N92-L99 HydrophobicContact CB-CB 3.81Å; N92-L99 HydrophobicContact CB-CD2 3.96Å; L99-S105 CarbonylContact O-C 3.5Å; L99-L106 HydrophobicContact CB-CB 4.42Å; L99-L106 HydrophobicContact CD2-CD1 4.36Å; L99-L106 PolarHBondContact N-O 2.88Å; L99-L106 VanDerWaalsContact N-O 3.12Å; L99-L106 WeakPolarHBondContact O-CA 3.42Å; L99-L106 WeakPolarHBondContact O-CB 3.33Å; L99-L106 PolarHBondContact O-N 2.87Å; L99-I120 HydrophobicContact CD1-CG2 3.4Å; L99-I120 HydrophobicContact CG-CG2 4.17Å; L99-F122 HydrophobicContact CD1-CB 3.92Å; L99-F122 HydrophobicContact CD1-CD1 3.81Å; L99-F122 HydrophobicContact CD1-CG 4.25Å
100S98Very high96.9Very high27 Ų2755.6 Ų55.619%0.18930%0.3CS..EExtended strand (participates in β ladder)trans-111.9145172.268.40000111.1S104 I120 R121S100-S104 CarbonylContact C-O 3.37Å; S100-S104 WeakPolarHBondContact CA-O 3.25Å; S100-I120 CarbonylContact O-C 3.49Å; S100-I120 VanDerWaalsContact O-CA 3.24Å; S100-I120 WeakPolarHBondContact O-CA 3.26Å; S100-R121 PolarHBondContact N-O 2.86Å; S100-R121 PolarHBondContact O-N 2.94Å; S100-R121 WeakPolarHBondContact OG-CB 3.12Å; S100-R121 PolarHBondContact OG-O 2.8Å
101V98.3Very high96.9Very high1 Ų161.5 Ų61.51%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-127.2113.3177.2-174.80000107.1I90 G103 S104 L106 M112 L114 A118 I120I90-V101 HydrophobicContact CD1-CG2 4.44Å; I90-V101 HydrophobicContact CG2-CG2 3.62Å; V101-G103 PolarHBondContact O-N 3.4Å; V101-S104 PolarHBondContact N-O 3.03Å; V101-S104 WeakPolarHBondContact O-CB 3.44Å; V101-S104 PolarHBondContact O-N 2.9Å; V101-L106 HydrophobicContact CG2-CD1 3.8Å; V101-M112 HydrophobicContact CB-SD 4.15Å; V101-M112 HydrophobicContact CG1-SD 4.3Å; V101-L114 HydrophobicContact CG1-CD2 3.79Å; V101-A118 HydrophobicContact CG1-CB 4.33Å; V101-I120 HydrophobicContact CG2-CG1 4.47Å
102N96.7Very high96.9Very high66 Ų6662.7 Ų62.735%0.35333%0.329SS..THydrogen-bonded Turntrans51.131.8-175.7-65.9-20.6000113.8L119N102-L119 PolarHBondContact N-O 2.83Å; N102-L119 PolarHBondContact OD1-N 2.87Å
103G94.8Very high96.9Very high62 Ų6267.3 Ų67.364%0.63935%0.353SS*.THydrogen-bonded Turntrans91.5-15.2-177.900000115.1V101V101-G103 PolarHBondContact O-N 3.4Å
104S97.1Very high96.8Very high60 Ų6066.5 Ų66.542%0.4235%0.349SS..EExtended strand (participates in β ladder)trans-78.7124.6173.1-62.20000110.4S100 V101S100-S104 CarbonylContact C-O 3.37Å; S100-S104 WeakPolarHBondContact CA-O 3.25Å; V101-S104 PolarHBondContact N-O 3.03Å; V101-S104 WeakPolarHBondContact O-CB 3.44Å; V101-S104 PolarHBondContact O-N 2.9Å
105S97.8Very high96.8Very high55 Ų5569.3 Ų69.339%0.38537%0.367SS..EExtended strand (participates in β ladder)trans-85.4141.7-178.2-166.70000112.3Q98 L99Q98-S105 WeakPolarHBondContact CB-OG 3.33Å; Q98-S105 PolarHBondContact OE1-OG 2.84Å; L99-S105 CarbonylContact O-C 3.5Å
106L98.4Very high96.8Very high7 Ų766.4 Ų66.44%0.03736%0.356CS..EExtended strand (participates in β ladder)trans-120.7118175.3-58.9178.7000109.4I90 N92 L99 V101 E110 M112I90-L106 HydrophobicContact CG2-CD1 4.2Å; N92-L106 HydrophobicContact CB-CB 4.17Å; N92-L106 PolarHBondContact ND2-O 2.88Å; L99-L106 HydrophobicContact CB-CB 4.42Å; L99-L106 HydrophobicContact CD2-CD1 4.36Å; L99-L106 PolarHBondContact N-O 2.88Å; L99-L106 VanDerWaalsContact N-O 3.12Å; L99-L106 WeakPolarHBondContact O-CA 3.42Å; L99-L106 WeakPolarHBondContact O-CB 3.33Å; L99-L106 PolarHBondContact O-N 2.87Å; V101-L106 HydrophobicContact CG2-CD1 3.8Å; L106-E110 WeakPolarHBondContact CA-OE2 3.07Å; L106-E110 HydrophobicContact CB-CB 4.1Å; L106-E110 HydrophobicContact CD2-CB 4.14Å; L106-M112 HydrophobicContact CD1-CB 4.06Å; L106-M112 HydrophobicContact CD2-CB 4.04Å; L106-M112 HydrophobicContact CD2-CE 4.39Å
107G98.5Very high97.1Very high18 Ų1862.9 Ų62.919%0.18635%0.346CS..  trans-72.1-174.6168.800000113N92 L109 E110N92-G107 VanDerWaalsContact CB-O 3.26Å; N92-G107 WeakPolarHBondContact CB-O 3.5Å; N92-G107 PolarHBondContact ND2-O 2.98Å; G107-L109 PolarHBondContact O-N 2.82Å; G107-E110 PolarHBondContact N-OE2 2.86Å; G107-E110 PolarHBondContact O-N 3.12Å
108Y98.4Very high97.5Very high116 Ų11661.3 Ų61.346%0.45533%0.329SS..THydrogen-bonded Turntrans-62.2129.6-179.3175.3-119.2000111.5Q95 E110Q95-Y108 HydrophobicContact CB-CD2 4.4Å; Q95-Y108 HydrophobicContact CG-CD1 4.03Å; Q95-Y108 HydrophobicContact CG-CD2 3.46Å; Q95-Y108 VanDerWaalsContact CG-CD2 3.46Å; Q95-Y108 HydrophobicContact CG-CE1 4.02Å; Q95-Y108 HydrophobicContact CG-CE2 3.45Å; Q95-Y108 VanDerWaalsContact CG-CE2 3.45Å; Q95-Y108 HydrophobicContact CG-CG 3.76Å; Q95-Y108 PolarHBondContact NE2-OH 2.94Å; Y108-E110 PolarHBondContact O-N 2.85Å; Y108-E110 VanDerWaalsContact O-N 3.14Å
109L98.4Very high97.8Very high85 Ų8555 Ų5545%0.44530%0.3SS..THydrogen-bonded Turntrans65.1-2.2-176.5-56.5177.1000116.1Q91 N92 L93 G107Q91-L109 PolarHBondContact NE2-O 2.75Å; N92-L109 VanDerWaalsContact O-CA 3.28Å; N92-L109 WeakPolarHBondContact O-CA 3.48Å; N92-L109 PolarHBondContact O-N 3.14Å; L93-L109 HydrophobicContact CD2-CD2 4.15Å; G107-L109 PolarHBondContact O-N 2.82Å
110E98.6Very high97.8Very high103 Ų10355 Ų5548%0.48130%0.3SS..  trans-66.3143.6172.2-65.7-177177.500110.4Q91 N92 L106 G107 Y108Q91-E110 WeakPolarHBondContact CA-O 3.38Å; N92-E110 PolarHBondContact N-O 3.25Å; L106-E110 WeakPolarHBondContact CA-OE2 3.07Å; L106-E110 HydrophobicContact CB-CB 4.1Å; L106-E110 HydrophobicContact CD2-CB 4.14Å; G107-E110 PolarHBondContact N-OE2 2.86Å; G107-E110 PolarHBondContact O-N 3.12Å; Y108-E110 PolarHBondContact O-N 2.85Å; Y108-E110 VanDerWaalsContact O-N 3.14Å
111R98.4Very high97.8Very high125 Ų12556.3 Ų56.347%0.47230%0.301SS..EExtended strand (participates in β ladder)trans-131.8147.2-174.4175.2-178.7-78.8170.7-2.3110.3N76 S89 I90 Q91N76-R111 VanDerWaalsContact CG-NH2 3.29Å; N76-R111 PolarHBondContact OD1-NH2 3.19Å; S89-R111 WeakPolarHBondContact OG-CD 3.16Å; I90-R111 CarbonylContact O-C 3.53Å; I90-R111 WeakPolarHBondContact O-CA 3.4Å; I90-R111 WeakPolarHBondContact O-CG 3.43Å; Q91-R111 HydrophobicContact CB-CB 4.17Å; Q91-R111 HydrophobicContact CB-CG 4.4Å; Q91-R111 HydrophobicContact CG-CB 4.19Å
112M98.4Very high97.8Very high64 Ų6456.4 Ų56.432%0.31530%0.301SS..EExtended strand (participates in β ladder)trans-141147.7175175.9174.4-74.600110.4S89 I90 V101 L106S89-M112 CarbonylContact C-O 3.55Å; S89-M112 VanDerWaalsContact CA-O 3.29Å; S89-M112 WeakPolarHBondContact CA-O 3.38Å; S89-M112 WeakPolarHBondContact CB-O 3.11Å; I90-M112 PolarHBondContact N-O 3.1Å; I90-M112 PolarHBondContact O-N 3.01Å; V101-M112 HydrophobicContact CB-SD 4.15Å; V101-M112 HydrophobicContact CG1-SD 4.3Å; L106-M112 HydrophobicContact CD1-CB 4.06Å; L106-M112 HydrophobicContact CD2-CB 4.04Å; L106-M112 HydrophobicContact CD2-CE 4.39Å
113D98.3Very high97.8Very high96 Ų9658 Ų5851%0.51331%0.309SS..EExtended strand (participates in β ladder)trans-71.2134.6171.4-70.8-5.3000110.2Y78Y78-D113 WeakPolarHBondContact OH-CB 3.46Å; Y78-D113 PolarHBondContact OH-OD1 2.82Å; Y78-D113 PolarHBondContact OH-OD2 2.9Å
114L98Very high97.9Very high15 Ų1558.8 Ų58.88%0.07930%0.296CS..PPolyproline II helixtrans-85.1130.9177.5-71.6179.2000110.6L75 F88 I90 V101 A118 I129L75-L114 HydrophobicContact CD2-CD1 3.68Å; F88-L114 HydrophobicContact CB-CD1 4.22Å; F88-L114 WeakPolarHBondContact O-CB 3.34Å; F88-L114 PolarHBondContact O-N 2.92Å; I90-L114 HydrophobicContact CB-CD1 4.13Å; I90-L114 HydrophobicContact CB-CD2 3.96Å; I90-L114 HydrophobicContact CB-CG 3.98Å; I90-L114 HydrophobicContact CG2-CD2 3.49Å; I90-L114 VanDerWaalsContact CG2-CD2 3.49Å; I90-L114 HydrophobicContact CG2-CG 3.9Å; V101-L114 HydrophobicContact CG1-CD2 3.79Å; L114-A118 HydrophobicContact CD2-CB 3.74Å; L114-I129 HydrophobicContact CD1-CD1 4.08Å
115P96.9Very high98Very high62 Ų6256 Ų5640%0.40328%0.277SS..PPolyproline II helixtrans-71.3173.6163.332.8-35.8000110.8K117 A118P115-K117 WeakPolarHBondContact CG-O 3.4Å; P115-K117 PolarHBondContact O-N 3.35Å; P115-K117 VanDerWaalsContact O-N 3.14Å; P115-A118 HydrophobicContact CG-CB 4.12Å
116D96.6Very high98Very high86 Ų8654.6 Ų54.646%0.4626%0.264SS..SBendtrans-59-29.3-179.8-63.6-13.5000113.5V130 R131D116-V130 CarbonylContact O-C 3.51Å; D116-V130 VanDerWaalsContact O-CA 3.3Å; D116-V130 WeakPolarHBondContact O-CA 3.34Å; D116-R131 PolarHBondContact O-N 3.14Å; D116-R131 IonicContact OD1-CZ 3.27Å; D116-R131 IonicContact OD1-NE 3.71Å; D116-R131 PolarHBondContact OD1-NE 3.22Å; D116-R131 IonicContact OD1-NH2 3.63Å; D116-R131 PolarHBondContact OD1-NH2 3.24Å; D116-R131 IonicContact OD2-NH2 3.01Å
117K97.8Very high98Very high104 Ų10454.4 Ų54.445%0.45226%0.263SS..EExtended strand (participates in β ladder)trans-131.2117.6174.1-174.4170.9-176.6178.60109.9P115 L128 I129 V130P115-K117 WeakPolarHBondContact CG-O 3.4Å; P115-K117 PolarHBondContact O-N 3.35Å; P115-K117 VanDerWaalsContact O-N 3.14Å; K117-L128 HydrophobicContact CG-CD1 3.84Å; K117-I129 WeakPolarHBondContact CA-O 3.27Å; K117-V130 HydrophobicContact CG-CG2 4.24Å
118A98.1Very high98Very high0 Ų053.8 Ų53.80%026%0.255CS..EExtended strand (participates in β ladder)trans-133.1126.2-176.200000111.8V101 L114 P115 L128 I129V101-A118 HydrophobicContact CG1-CB 4.33Å; L114-A118 HydrophobicContact CD2-CB 3.74Å; P115-A118 HydrophobicContact CG-CB 4.12Å; A118-L128 WeakPolarHBondContact O-CA 3.49Å; A118-L128 WeakPolarHBondContact O-CD1 3.47Å; A118-I129 PolarHBondContact N-O 3.44Å; A118-I129 PolarHBondContact O-N 3.07Å
119L98.4Very high98Very high2 Ų248.5 Ų48.51%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-92.5113.9170179.660.6000109.5N102 E126 P151N102-L119 PolarHBondContact N-O 2.83Å; N102-L119 PolarHBondContact OD1-N 2.87Å; L119-E126 HydrophobicContact CD1-CB 4.28Å; L119-P151 HydrophobicContact CD1-CB 4.3Å; L119-P151 HydrophobicContact CD1-CG 3.77Å
120I98.5Very high98Very high0 Ų046.3 Ų46.30%023%0.225CC..EExtended strand (participates in β ladder)trans-104136.3179.6-60.7159.6000109L73 I90 L99 S100 V101 F122 M127 I129L73-I120 HydrophobicContact CD2-CG2 4.34Å; I90-I120 HydrophobicContact CD1-CD1 3.35Å; I90-I120 HydrophobicContact CD1-CG1 3.86Å; I90-I120 HydrophobicContact CD1-CG2 4.08Å; L99-I120 HydrophobicContact CD1-CG2 3.4Å; L99-I120 HydrophobicContact CG-CG2 4.17Å; S100-I120 CarbonylContact O-C 3.49Å; S100-I120 VanDerWaalsContact O-CA 3.24Å; S100-I120 WeakPolarHBondContact O-CA 3.26Å; V101-I120 HydrophobicContact CG2-CG1 4.47Å; I120-F122 HydrophobicContact CG2-CD1 4.43Å; I120-M127 WeakPolarHBondContact CA-O 3.49Å; I120-M127 HydrophobicContact CB-CB 4.17Å; I120-M127 WeakPolarHBondContact CB-O 3.41Å; I120-M127 HydrophobicContact CD1-SD 4.13Å; I120-M127 PolarHBondContact N-O 3.05Å; I120-M127 PolarHBondContact O-N 3.06Å; I120-I129 HydrophobicContact CD1-CD1 3.32Å; I120-I129 HydrophobicContact CD1-CG1 3.76Å
121R98.5Very high98Very high55 Ų5542.6 Ų42.621%0.20821%0.206CC..EExtended strand (participates in β ladder)trans-132.7137.7174.2-56.4177.6159.2115.7-17.5112.2S100 Y125 E126 S152S100-R121 PolarHBondContact N-O 2.86Å; S100-R121 PolarHBondContact O-N 2.94Å; S100-R121 WeakPolarHBondContact OG-CB 3.12Å; S100-R121 PolarHBondContact OG-O 2.8Å; R121-Y125 WeakPolarHBondContact CA-O 3.21Å; R121-E126 HydrophobicContact CG-CG 4.32Å; R121-E126 IonicContact CZ-OE1 3.26Å; R121-E126 VanDerWaalsContact CZ-OE1 3.26Å; R121-E126 IonicContact NE-OE1 2.89Å; R121-E126 PolarHBondContact NE-OE1 3.46Å; R121-E126 IonicContact NH2-OE1 2.77Å; R121-E126 PolarHBondContact NH2-OE1 3.15Å; R121-S152 PolarHBondContact NH2-OG 2.83Å
122F98.1Very high97.9Very high4 Ų441.4 Ų41.42%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-151.3142.3169.659.7-85.9000108.5L52 L63 V68 Q72 L73 L99 I120 E124 Y125L52-F122 HydrophobicContact CD2-CE1 4.38Å; L52-F122 HydrophobicContact CD2-CZ 4.15Å; L63-F122 HydrophobicContact CD1-CE2 4.27Å; L63-F122 HydrophobicContact CD1-CZ 4.04Å; V68-F122 HydrophobicContact CG2-CE2 4.25Å; Q72-F122 HydrophobicContact CG-CD1 4.39Å; Q72-F122 HydrophobicContact CG-CD2 3.68Å; Q72-F122 HydrophobicContact CG-CE2 3.82Å; Q72-F122 HydrophobicContact CG-CG 3.99Å; Q72-F122 HydrophobicContact CG-CZ 4.24Å; L73-F122 HydrophobicContact CD2-CD1 4.25Å; L73-F122 HydrophobicContact CD2-CE1 4.06Å; L99-F122 HydrophobicContact CD1-CB 3.92Å; L99-F122 HydrophobicContact CD1-CD1 3.81Å; L99-F122 HydrophobicContact CD1-CG 4.25Å; I120-F122 HydrophobicContact CG2-CD1 4.43Å; F122-E124 PolarHBondContact O-N 3.2Å; F122-Y125 AromaticContact CD2-CD2 3.99Å; F122-Y125 HydrophobicContact CD2-CD2 3.99Å; F122-Y125 HydrophobicContact CD2-CG 4.41Å; F122-Y125 AromaticContact CE2-CD2 3.42Å; F122-Y125 HydrophobicContact CE2-CD2 3.42Å; F122-Y125 VanDerWaalsContact CE2-CD2 3.42Å; F122-Y125 HydrophobicContact CE2-CE2 4.11Å; F122-Y125 AromaticContact CE2-CG 3.7Å; F122-Y125 HydrophobicContact CE2-CG 3.7Å; F122-Y125 HydrophobicContact CZ-CD1 4.38Å; F122-Y125 HydrophobicContact CZ-CD2 4Å; F122-Y125 AromaticContact CZ-CG 3.78Å; F122-Y125 HydrophobicContact CZ-CG 3.78Å; F122-Y125 PolarHBondContact N-O 3.21Å; F122-Y125 WeakPolarHBondContact O-CB 3.42Å; F122-Y125 PolarHBondContact O-N 3.08Å
123L96.4Very high97.8Very high99 Ų9941.7 Ų41.752%0.51821%0.214SC..THydrogen-bonded Turntrans50.4-125.2-171.9-56.6172.7000110.5K67 V68 Y125K67-L123 HydrophobicContact CB-CD1 3.89Å; V68-L123 HydrophobicContact CG2-CD1 4Å; L123-Y125 HydrophobicContact CB-CD2 4.37Å
124E96.3Very high97.5Very high79 Ų7937.6 Ų37.637%0.36920%0.195SC..THydrogen-bonded Turntrans-101.77.1176.6-60.1174.781.900112.1H24 P25 K67 F122H24-E124 WeakPolarHBondContact NE2-CB 3.49Å; P25-E124 WeakPolarHBondContact CD-O 3.23Å; K67-E124 IonicContact NZ-OE2 2.91Å; K67-E124 PolarHBondContact NZ-OE2 3.29Å; F122-E124 PolarHBondContact O-N 3.2Å
125Y98.3Very high97.2Very high2 Ų242.1 Ų42.11%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-84137.7179.2-70.8-90.8000111.5H24 F32 Y33 L63 D65 V68 R121 F122 L123H24-Y125 HydrophobicContact CB-CD1 4.07Å; H24-Y125 HydrophobicContact CB-CE1 4.07Å; H24-Y125 AromaticContact CD2-CD1 3.86Å; H24-Y125 AromaticContact CD2-CD2 3.78Å; H24-Y125 AromaticContact CD2-CE1 3.72Å; H24-Y125 AromaticContact CD2-CE2 3.64Å; H24-Y125 AromaticContact CD2-CG 3.89Å; H24-Y125 AromaticContact CD2-CZ 3.61Å; F32-Y125 WeakPolarHBondContact CG-OH 3.4Å; Y33-Y125 HydrophobicContact CE1-CD1 4.26Å; Y33-Y125 AromaticContact CE1-CE1 3.83Å; Y33-Y125 HydrophobicContact CE1-CE1 3.83Å; L63-Y125 HydrophobicContact CD1-CD1 4.44Å; L63-Y125 HydrophobicContact CD1-CE1 4Å; L63-Y125 HydrophobicContact CD1-CE2 4.49Å; D65-Y125 VanDerWaalsContact CB-OH 3.25Å; D65-Y125 WeakPolarHBondContact CB-OH 3.25Å; D65-Y125 WeakPolarHBondContact OD2-CE2 3.49Å; D65-Y125 PolarHBondContact OD2-OH 3.26Å; V68-Y125 HydrophobicContact CG2-CD2 4.44Å; V68-Y125 HydrophobicContact CG2-CE2 3.67Å; R121-Y125 WeakPolarHBondContact CA-O 3.21Å; F122-Y125 AromaticContact CD2-CD2 3.99Å; F122-Y125 HydrophobicContact CD2-CD2 3.99Å; F122-Y125 HydrophobicContact CD2-CG 4.41Å; F122-Y125 AromaticContact CE2-CD2 3.42Å; F122-Y125 HydrophobicContact CE2-CD2 3.42Å; F122-Y125 VanDerWaalsContact CE2-CD2 3.42Å; F122-Y125 HydrophobicContact CE2-CE2 4.11Å; F122-Y125 AromaticContact CE2-CG 3.7Å; F122-Y125 HydrophobicContact CE2-CG 3.7Å; F122-Y125 HydrophobicContact CZ-CD1 4.38Å; F122-Y125 HydrophobicContact CZ-CD2 4Å; F122-Y125 AromaticContact CZ-CG 3.78Å; F122-Y125 HydrophobicContact CZ-CG 3.78Å; F122-Y125 PolarHBondContact N-O 3.21Å; F122-Y125 WeakPolarHBondContact O-CB 3.42Å; F122-Y125 PolarHBondContact O-N 3.08Å; L123-Y125 HydrophobicContact CB-CD2 4.37Å
126E98.4Very high97Very high24 Ų2439.7 Ų39.711%0.11220%0.201CC..EExtended strand (participates in β ladder)trans-110.4132.2158.4-55.7-159155.600108.8Y23 L119 R121 P150 P151 S152Y23-E126 HydrophobicContact CD1-CB 4.35Å; Y23-E126 HydrophobicContact CD1-CG 4.33Å; Y23-E126 PolarHBondContact N-O 3.11Å; Y23-E126 PolarHBondContact O-N 3.2Å; L119-E126 HydrophobicContact CD1-CB 4.28Å; R121-E126 HydrophobicContact CG-CG 4.32Å; R121-E126 IonicContact CZ-OE1 3.26Å; R121-E126 VanDerWaalsContact CZ-OE1 3.26Å; R121-E126 IonicContact NE-OE1 2.89Å; R121-E126 PolarHBondContact NE-OE1 3.46Å; R121-E126 IonicContact NH2-OE1 2.77Å; R121-E126 PolarHBondContact NH2-OE1 3.15Å; E126-P150 WeakPolarHBondContact OE2-CB 3.29Å; E126-P151 HydrophobicContact CB-CG 3.72Å; E126-P151 WeakPolarHBondContact OE2-CD 3.32Å; E126-S152 VanDerWaalsContact CD-OG 3.27Å; E126-S152 PolarHBondContact OE1-OG 3Å; E126-S152 VanDerWaalsContact OE2-CB 3.27Å; E126-S152 WeakPolarHBondContact OE2-CB 3.28Å; E126-S152 PolarHBondContact OE2-N 3.12Å; E126-S152 PolarHBondContact OE2-OG 3Å
127M98.3Very high96.7Very high4 Ų441.7 Ų41.72%0.0221%0.205CC..EExtended strand (participates in β ladder)trans-130.1115.6178.8176-170.9-176.400107.8I20 K21 F22 L52 L73 I120 I129I20-M127 HydrophobicContact CB-CE 4.47Å; I20-M127 HydrophobicContact CD1-CE 4.02Å; I20-M127 HydrophobicContact CG1-CE 4.41Å; I20-M127 HydrophobicContact CG2-CE 3.31Å; I20-M127 HydrophobicContact CG2-CG 4.02Å; I20-M127 HydrophobicContact CG2-SD 4.45Å; K21-M127 CarbonylContact O-C 3.54Å; K21-M127 WeakPolarHBondContact O-CA 3.22Å; F22-M127 HydrophobicContact CD1-CB 4.27Å; F22-M127 HydrophobicContact CD1-CG 4.13Å; F22-M127 HydrophobicContact CE1-CB 4.36Å; F22-M127 HydrophobicContact CE1-CE 4.18Å; F22-M127 HydrophobicContact CE1-CG 3.86Å; F22-M127 HydrophobicContact CE1-SD 3.94Å; F22-M127 HydrophobicContact CZ-CE 4.13Å; F22-M127 HydrophobicContact CZ-SD 4.48Å; L52-M127 HydrophobicContact CD2-SD 4.17Å; L73-M127 HydrophobicContact CD2-SD 4.23Å; I120-M127 WeakPolarHBondContact CA-O 3.49Å; I120-M127 HydrophobicContact CB-CB 4.17Å; I120-M127 WeakPolarHBondContact CB-O 3.41Å; I120-M127 HydrophobicContact CD1-SD 4.13Å; I120-M127 PolarHBondContact N-O 3.05Å; I120-M127 PolarHBondContact O-N 3.06Å; M127-I129 HydrophobicContact CE-CD1 3.67Å; M127-I129 HydrophobicContact CE-CG1 3.9Å; M127-I129 HydrophobicContact CG-CG1 4.36Å
128L98.6Very high96.5Very high5 Ų541.5 Ų41.53%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-100.4120.9175.4176.663.7000108.6K21 K117 A118 V130 P151K21-L128 HydrophobicContact CB-CB 4.24Å; K21-L128 HydrophobicContact CD-CD2 4.12Å; K21-L128 PolarHBondContact N-O 3.5Å; K21-L128 PolarHBondContact O-N 2.95Å; K117-L128 HydrophobicContact CG-CD1 3.84Å; A118-L128 WeakPolarHBondContact O-CA 3.49Å; A118-L128 WeakPolarHBondContact O-CD1 3.47Å; L128-V130 HydrophobicContact CD2-CG2 4.48Å; L128-V130 HydrophobicContact CG-CG2 4.22Å; L128-P151 HydrophobicContact CB-CB 3.89Å; L128-P151 HydrophobicContact CB-CG 4.21Å; L128-P151 HydrophobicContact CD2-CB 3.98Å
129I98.5Very high96.4Very high4 Ų441.9 Ų41.92%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-103.6128.3171.9-59.5-177000108.1L18 H19 I20 L75 L114 K117 A118 I120 M127L18-I129 HydrophobicContact CD2-CG2 4.04Å; H19-I129 WeakPolarHBondContact O-CA 3.38Å; I20-I129 HydrophobicContact CG1-CG1 4.34Å; L75-I129 HydrophobicContact CD1-CD1 3.78Å; L75-I129 HydrophobicContact CD2-CD1 3.9Å; L75-I129 HydrophobicContact CG-CD1 4.49Å; L114-I129 HydrophobicContact CD1-CD1 4.08Å; K117-I129 WeakPolarHBondContact CA-O 3.27Å; A118-I129 PolarHBondContact N-O 3.44Å; A118-I129 PolarHBondContact O-N 3.07Å; I120-I129 HydrophobicContact CD1-CD1 3.32Å; I120-I129 HydrophobicContact CD1-CG1 3.76Å; M127-I129 HydrophobicContact CE-CD1 3.67Å; M127-I129 HydrophobicContact CE-CG1 3.9Å; M127-I129 HydrophobicContact CG-CG1 4.36Å
130V98.4Very high96.4Very high39 Ų3941.9 Ų41.924%0.23622%0.216CC..EExtended strand (participates in β ladder)trans-119.8125.9169.1-173.20000108.3H19 D116 K117 L128H19-V130 HydrophobicContact CB-CB 4.29Å; H19-V130 PolarHBondContact N-O 3.37Å; H19-V130 PolarHBondContact O-N 2.95Å; D116-V130 CarbonylContact O-C 3.51Å; D116-V130 VanDerWaalsContact O-CA 3.3Å; D116-V130 WeakPolarHBondContact O-CA 3.34Å; K117-V130 HydrophobicContact CG-CG2 4.24Å; L128-V130 HydrophobicContact CD2-CG2 4.48Å; L128-V130 HydrophobicContact CG-CG2 4.22Å
131R98.1Very high96.3Very high25 Ų2544 Ų449%0.09423%0.226CC..EExtended strand (participates in β ladder)trans-97.4126.9177.3-175.9-175.975.690.24.8109.4T16 L17 L18 D85 M86 D116 S133T16-R131 HydrophobicContact CG2-CG 4.12Å; L17-R131 WeakPolarHBondContact O-CA 3.38Å; L18-R131 HydrophobicContact CD2-CB 3.98Å; L18-R131 HydrophobicContact CD2-CG 4.06Å; D85-R131 IonicContact OD2-CZ 2.9Å; D85-R131 IonicContact OD2-NH1 2.65Å; D85-R131 PolarHBondContact OD2-NH1 2.79Å; D85-R131 IonicContact OD2-NH2 3.16Å; D85-R131 PolarHBondContact OD2-NH2 2.89Å; M86-R131 PolarHBondContact O-NH1 3.21Å; D116-R131 PolarHBondContact O-N 3.14Å; D116-R131 IonicContact OD1-CZ 3.27Å; D116-R131 IonicContact OD1-NE 3.71Å; D116-R131 PolarHBondContact OD1-NE 3.22Å; D116-R131 IonicContact OD1-NH2 3.63Å; D116-R131 PolarHBondContact OD1-NH2 3.24Å; D116-R131 IonicContact OD2-NH2 3.01Å; R131-S133 PolarHBondContact NH1-OG 3.21Å; R131-S133 VanDerWaalsContact NH1-OG 3.08Å; R131-S133 PolarHBondContact NH2-OG 2.93Å
132E97.2Very high96.3Very high101 Ų10141.4 Ų41.447%0.47222%0.216SC..EExtended strand (participates in β ladder)trans-105124.6164.9-58.9-173.2167.600108.3T16 L17 H19T16-E132 WeakPolarHBondContact CA-O 3.5Å; T16-E132 WeakPolarHBondContact CG2-O 3.29Å; L17-E132 HydrophobicContact CB-CB 4.29Å; L17-E132 PolarHBondContact N-O 3.15Å; L17-E132 PolarHBondContact O-N 3.42Å; H19-E132 IonicContact CD2-OE1 3.54Å; H19-E132 IonicContact NE2-OE1 3.64Å; H19-E132 PolarHBondContact NE2-OE1 3.05Å; H19-E132 IonicContact NE2-OE2 3.66Å
133S95.4Very high96.3Very high69 Ų6942.7 Ų42.748%0.48322%0.223SC..  trans-65.9143.8-178.2-63.50000111.6D85 R131D85-S133 WeakPolarHBondContact OD2-CB 3.41Å; D85-S133 PolarHBondContact OD2-OG 2.91Å; R131-S133 PolarHBondContact NH1-OG 3.21Å; R131-S133 VanDerWaalsContact NH1-OG 3.08Å; R131-S133 PolarHBondContact NH2-OG 2.93Å
134G93.7Very high96.4Very high10 Ų1038.1 Ų38.110%0.10320%0.199CC..  trans-141.5170.7170.300000111.1L14 T16L14-G134 CarbonylContact O-C 3.56Å; L14-G134 VanDerWaalsContact O-CA 3.31Å; L14-G134 WeakPolarHBondContact O-CA 3.23Å; T16-G134 PolarHBondContact OG1-N 3.13Å; T16-G134 VanDerWaalsContact OG1-N 3.16Å; T16-G134 PolarHBondContact OG1-O 3.32Å
135E91.8Very high96.4Very high111 Ų11137.8 Ų37.852%0.51920%0.197SC..SBendtrans-93-23.2-172-61.1-176.9-172.400112.7E11 L14E11-E135 WeakPolarHBondContact O-CB 3.22Å; L14-E135 HydrophobicContact CB-CB 4.45Å; L14-E135 HydrophobicContact CB-CG 4.45Å; L14-E135 PolarHBondContact O-N 2.94Å
136A91Very high96.4Very high10 Ų1040.1 Ų40.18%0.08321%0.212CC..  trans-60.8136.1178.800000112.2L14 L15L14-A136 PolarHBondContact O-N 3.31Å; L14-A136 VanDerWaalsContact O-N 3.12Å; L15-A136 HydrophobicContact CD2-CB 3.62Å; L15-A136 HydrophobicContact CG-CB 4.41Å
137K91.7Very high96.3Very high128 Ų12840.6 Ų40.656%0.55722%0.215SC*.SBendtrans-101.4-26.7-171.3-65.2172.1-177161.80114.4M86M86-K137 WeakPolarHBondContact CE-O 3.21Å
138T93.4Very high96.2Very high100 Ų10046.4 Ų46.461%0.61325%0.25SS*.SBendtrans-109.3-9.3-168.7550000112.8A46A46-T138 PolarHBondContact N-O 3.22Å
139S95.6Very high96Very high8 Ų848.9 Ų48.96%0.05627%0.265CS..EExtended strand (participates in β ladder)trans-151.7159.2-179.659.70000111.9L15 R43 H44L15-S139 WeakPolarHBondContact CD2-O 3.3Å; L15-S139 WeakPolarHBondContact CD2-OG 3.45Å; R43-S139 PolarHBondContact NE-OG 2.83Å; R43-S139 PolarHBondContact NH2-OG 2.9Å; H44-S139 CarbonylContact O-C 3.57Å; H44-S139 WeakPolarHBondContact O-CA 3.28Å; H44-S139 WeakPolarHBondContact O-CB 3.28Å
140F97.4Very high95.9Very high3 Ų350 Ų501%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-146.7168.6178.166-82.2000109.6T16 L18 R43 H44 L50 A77 M86 F88 V142T16-F140 CarbonylContact O-C 3.57Å; T16-F140 WeakPolarHBondContact O-CA 3.46Å; T16-F140 VanDerWaalsContact O-CB 3.25Å; T16-F140 WeakPolarHBondContact O-CB 3.44Å; L18-F140 HydrophobicContact CD1-CD2 4.34Å; L18-F140 HydrophobicContact CD1-CE2 3.99Å; L18-F140 HydrophobicContact CG-CD2 4.41Å; R43-F140 WeakPolarHBondContact CA-O 3.49Å; H44-F140 HydrophobicContact CB-CD1 4.36Å; H44-F140 HydrophobicContact CB-CE1 3.85Å; H44-F140 HydrophobicContact CB-CE2 4.21Å; H44-F140 HydrophobicContact CB-CZ 3.77Å; H44-F140 PolarHBondContact N-O 3.01Å; H44-F140 PolarHBondContact O-N 2.94Å; L50-F140 HydrophobicContact CD1-CE2 3.42Å; L50-F140 VanDerWaalsContact CD1-CE2 3.42Å; L50-F140 HydrophobicContact CD1-CZ 3.48Å; L50-F140 VanDerWaalsContact CD1-CZ 3.48Å; L50-F140 HydrophobicContact CD2-CZ 4.21Å; L50-F140 HydrophobicContact CG-CE2 4.22Å; L50-F140 HydrophobicContact CG-CZ 3.76Å; A77-F140 HydrophobicContact CB-CE1 4.32Å; M86-F140 HydrophobicContact CE-CB 4.36Å; M86-F140 HydrophobicContact SD-CB 3.73Å; M86-F140 HydrophobicContact SD-CD1 3.67Å; M86-F140 HydrophobicContact SD-CG 3.94Å; F88-F140 HydrophobicContact CE1-CD1 4.21Å; F88-F140 AromaticContact CE1-CD2 3.94Å; F88-F140 HydrophobicContact CE1-CD2 3.94Å; F88-F140 HydrophobicContact CE1-CE1 4.05Å; F88-F140 AromaticContact CE1-CE2 3.73Å; F88-F140 HydrophobicContact CE1-CE2 3.73Å; F88-F140 HydrophobicContact CE1-CG 4.17Å; F88-F140 AromaticContact CE1-CZ 3.8Å; F88-F140 HydrophobicContact CE1-CZ 3.8Å; F88-F140 HydrophobicContact CZ-CB 4.27Å; F88-F140 HydrophobicContact CZ-CD1 4.18Å; F88-F140 AromaticContact CZ-CD2 3.7Å; F88-F140 HydrophobicContact CZ-CD2 3.7Å; F88-F140 HydrophobicContact CZ-CE1 4.46Å; F88-F140 AromaticContact CZ-CE2 3.99Å; F88-F140 HydrophobicContact CZ-CE2 3.99Å; F88-F140 AromaticContact CZ-CG 3.79Å; F88-F140 HydrophobicContact CZ-CG 3.79Å; F88-F140 HydrophobicContact CZ-CZ 4.37Å; F140-V142 HydrophobicContact CD2-CG2 4.21Å; F140-V142 HydrophobicContact CE2-CG2 3.75Å
141E97.7Very high95.7Very high45 Ų4548.1 Ų48.121%0.2126%0.262CS..EExtended strand (participates in β ladder)trans-109.6154.4177.5-65.7-165.7151.900111.9L15 T16 L17 L18 R41 S42L15-E141 HydrophobicContact CB-CG 3.87Å; L15-E141 HydrophobicContact CD1-CG 3.54Å; L15-E141 WeakPolarHBondContact CD1-OE1 3.25Å; L15-E141 HydrophobicContact CG-CG 4.29Å; T16-E141 PolarHBondContact O-N 3.33Å; L17-E141 HydrophobicContact CD1-CB 3.61Å; L18-E141 PolarHBondContact N-O 3.02Å; R41-E141 WeakPolarHBondContact CD-OE2 3.44Å; S42-E141 CarbonylContact O-C 3.58Å; S42-E141 WeakPolarHBondContact O-CA 3.48Å
142V98.5Very high95.4Very high0 Ų048.3 Ų48.30%027%0.267CS..EExtended strand (participates in β ladder)trans-127130.5170.3179.50000108.9L18 I20 R41 S42 L50 Y61 F140 M144L18-V142 HydrophobicContact CB-CG2 4.36Å; L18-V142 WeakPolarHBondContact O-CA 3.4Å; I20-V142 HydrophobicContact CD1-CG1 3.68Å; I20-V142 HydrophobicContact CG1-CG1 4.09Å; R41-V142 WeakPolarHBondContact CA-O 3.23Å; S42-V142 PolarHBondContact N-O 3.25Å; S42-V142 PolarHBondContact O-N 3.39Å; S42-V142 PolarHBondContact OG-O 3.45Å; L50-V142 HydrophobicContact CD1-CG2 3.55Å; Y61-V142 HydrophobicContact CE2-CG1 4.42Å; Y61-V142 WeakPolarHBondContact OH-CB 3.37Å; Y61-V142 WeakPolarHBondContact OH-CG1 3.41Å; F140-V142 HydrophobicContact CD2-CG2 4.21Å; F140-V142 HydrophobicContact CE2-CG2 3.75Å; V142-M144 HydrophobicContact CG1-CE 3.73Å; V142-M144 HydrophobicContact CG1-CG 4.08Å
143D97.9Very high94.8Very high30 Ų3052.8 Ų52.816%0.1628%0.279CS..EExtended strand (participates in β ladder)trans-115.8142.7168.9178.727.3000109.4L17 L18 H19 I20 R41L17-D143 HydrophobicContact CD1-CB 4.05Å; L18-D143 PolarHBondContact O-N 3.27Å; H19-D143 IonicContact CE1-OD2 3.31Å; H19-D143 IonicContact ND1-OD2 3.14Å; H19-D143 PolarHBondContact ND1-OD2 2.86Å; H19-D143 VanDerWaalsContact ND1-OD2 3.14Å; I20-D143 PolarHBondContact N-O 2.77Å; R41-D143 HydrophobicContact CG-CB 4.19Å
144M98.3Very high93.6Very high3 Ų356 Ų562%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-130.3131.9-176.3-63.7-167.9175.200112.6I20 F22 L36 P37 L38 G39 Y61 V142I20-M144 HydrophobicContact CB-CG 4.33Å; I20-M144 HydrophobicContact CD1-CE 4.22Å; I20-M144 WeakPolarHBondContact O-CA 3.34Å; F22-M144 HydrophobicContact CE2-CE 4.47Å; F22-M144 HydrophobicContact CE2-CG 4.36Å; F22-M144 HydrophobicContact CE2-SD 3.95Å; L36-M144 HydrophobicContact CB-SD 4.25Å; L36-M144 HydrophobicContact CD1-SD 4.33Å; L36-M144 HydrophobicContact CD2-SD 4.3Å; P37-M144 HydrophobicContact CG-SD 4.5Å; L38-M144 HydrophobicContact CD2-CB 3.88Å; G39-M144 PolarHBondContact N-O 3.32Å; G39-M144 VanDerWaalsContact N-O 3.15Å; Y61-M144 HydrophobicContact CD1-CE 3.52Å; Y61-M144 HydrophobicContact CD1-SD 4.23Å; Y61-M144 HydrophobicContact CD2-CE 3.45Å; Y61-M144 VanDerWaalsContact CD2-CE 3.45Å; Y61-M144 HydrophobicContact CE1-CE 3.4Å; Y61-M144 VanDerWaalsContact CE1-CE 3.4Å; Y61-M144 HydrophobicContact CE1-SD 4.26Å; Y61-M144 HydrophobicContact CE2-CE 3.32Å; Y61-M144 HydrophobicContact CG-CE 3.53Å; V142-M144 HydrophobicContact CG1-CE 3.73Å; V142-M144 HydrophobicContact CG1-CG 4.08Å
145E97Very high92Very high73 Ų7356.9 Ų56.934%0.34129%0.29SS..EExtended strand (participates in β ladder)trans-135.7160.4172.363.8173.6-164.900111.9I20 K21 F22 L147I20-E145 PolarHBondContact O-N 3.08Å; I20-E145 VanDerWaalsContact O-N 3.1Å; K21-E145 WeakPolarHBondContact CA-O 3.21Å; K21-E145 HydrophobicContact CB-CG 3.96Å; K21-E145 HydrophobicContact CD-CG 4.38Å; K21-E145 WeakPolarHBondContact CD-OE1 3.41Å; K21-E145 WeakPolarHBondContact CE-OE1 3.08Å; K21-E145 HydrophobicContact CG-CG 3.7Å; K21-E145 WeakPolarHBondContact CG-OE1 3.28Å; K21-E145 IonicContact NZ-OE1 2.65Å; K21-E145 PolarHBondContact NZ-OE1 2.86Å; F22-E145 PolarHBondContact N-O 2.99Å; E145-L147 WeakPolarHBondContact OE1-CD2 3.38Å
146V97.6Very high90.2Very high51 Ų5157.4 Ų57.431%0.30931%0.305SS..EExtended strand (participates in β ladder)trans-113.7120.1173.81800000108F22 Q27 Y33 L38F22-V146 CarbonylContact O-C 3.56Å; F22-V146 WeakPolarHBondContact O-CA 3.22Å; Q27-V146 VanDerWaalsContact OE1-CG1 3.26Å; Y33-V146 HydrophobicContact CD1-CG2 4.49Å; Y33-V146 HydrophobicContact CD2-CB 4.34Å; Y33-V146 HydrophobicContact CD2-CG1 3.77Å; Y33-V146 HydrophobicContact CD2-CG2 3.55Å; Y33-V146 HydrophobicContact CE2-CG1 3.62Å; Y33-V146 HydrophobicContact CE2-CG2 4.06Å; Y33-V146 HydrophobicContact CG-CG2 3.79Å; L38-V146 HydrophobicContact CD1-CG2 3.76Å; L38-V146 HydrophobicContact CD2-CG2 3.97Å
147L96.8Very high88.3Confident34 Ų3459.3 Ų59.318%0.17832%0.315CS..  trans-80.9144.1178.8-61.6177.4000110.2K21 F22 Q27 E145 V149 P151K21-L147 HydrophobicContact CB-CD1 3.84Å; K21-L147 HydrophobicContact CB-CD2 4.39Å; K21-L147 HydrophobicContact CB-CG 3.94Å; K21-L147 HydrophobicContact CD-CD1 4.36Å; K21-L147 HydrophobicContact CD-CD2 4.37Å; F22-L147 PolarHBondContact O-N 3.27Å; Q27-L147 PolarHBondContact NE2-O 3.49Å; E145-L147 WeakPolarHBondContact OE1-CD2 3.38Å; L147-V149 VanDerWaalsContact C-N 3.31Å; L147-V149 WeakPolarHBondContact CB-O 3.49Å; L147-P151 HydrophobicContact CD1-CB 3.86Å; L147-P151 HydrophobicContact CD1-CG 4.29Å
148T94.9Very high86.2Confident125 Ų12558.5 Ų58.577%0.76732%0.324SS*.SBendtrans-78.9-18175.555.80000112.9
149V95.4Very high84.3Confident57 Ų5758.6 Ų58.635%0.34533%0.325SS..SBendtrans-128.2155.2-179.3-640000110.8Y23 L147Y23-V149 WeakPolarHBondContact CD2-O 3.33Å; L147-V149 VanDerWaalsContact C-N 3.31Å; L147-V149 WeakPolarHBondContact CB-O 3.49Å
150P96.5Very high81.9Confident27 Ų2764.2 Ų64.218%0.17536%0.361CS..  trans-62129.6177.4-10.618.1000111.6Y23 E126 S152 R153Y23-P150 HydrophobicContact CD1-CB 3.86Å; Y23-P150 HydrophobicContact CD1-CG 4.16Å; Y23-P150 HydrophobicContact CE1-CB 3.71Å; Y23-P150 HydrophobicContact CE1-CG 3.51Å; Y23-P150 HydrophobicContact CE2-CG 4.19Å; Y23-P150 HydrophobicContact CG-CB 4.41Å; E126-P150 WeakPolarHBondContact OE2-CB 3.29Å; P150-S152 PolarHBondContact O-N 3.04Å; P150-S152 VanDerWaalsContact O-N 3.13Å; P150-R153 HydrophobicContact CB-CG 4.42Å; P150-R153 HydrophobicContact CG-CG 4.34Å; P150-R153 PolarHBondContact O-N 3.14Å
151P94.4Very high79.5Confident0 Ų067 Ų670%039%0.391CS..G310 helixtrans-62.3-19.8177.923.7-34.2000113.5L119 E126 L128 L147 R153 E154 T155L119-P151 HydrophobicContact CD1-CB 4.3Å; L119-P151 HydrophobicContact CD1-CG 3.77Å; E126-P151 HydrophobicContact CB-CG 3.72Å; E126-P151 WeakPolarHBondContact OE2-CD 3.32Å; L128-P151 HydrophobicContact CB-CB 3.89Å; L128-P151 HydrophobicContact CB-CG 4.21Å; L128-P151 HydrophobicContact CD2-CB 3.98Å; L147-P151 HydrophobicContact CD1-CB 3.86Å; L147-P151 HydrophobicContact CD1-CG 4.29Å; P151-R153 PolarHBondContact O-N 2.89Å; P151-E154 PolarHBondContact O-N 3.32Å; P151-T155 PolarHBondContact O-N 2.9Å; P151-T155 PolarHBondContact O-OG1 3.04Å; P151-T155 VanDerWaalsContact O-OG1 3.08Å
152S91.9Very high77.7Confident29 Ų2976 Ų7620%0.20342%0.423CS..G310 helixtrans-68.7-13.4173.456.70000115.6R121 E126 P150 E154R121-S152 PolarHBondContact NH2-OG 2.83Å; E126-S152 VanDerWaalsContact CD-OG 3.27Å; E126-S152 PolarHBondContact OE1-OG 3Å; E126-S152 VanDerWaalsContact OE2-CB 3.27Å; E126-S152 WeakPolarHBondContact OE2-CB 3.28Å; E126-S152 PolarHBondContact OE2-N 3.12Å; E126-S152 PolarHBondContact OE2-OG 3Å; P150-S152 PolarHBondContact O-N 3.04Å; P150-S152 VanDerWaalsContact O-N 3.13Å; S152-E154 VanDerWaalsContact C-N 3.29Å
153R84.9Confident75.3Confident195 Ų19579.8 Ų79.874%0.73645%0.454SS*.G310 helixtrans-69.3-31.2172.7-66.9-171.170.7-178.31.5112.4P150 P151P150-R153 HydrophobicContact CB-CG 4.42Å; P150-R153 HydrophobicContact CG-CG 4.34Å; P150-R153 PolarHBondContact O-N 3.14Å; P151-R153 PolarHBondContact O-N 2.89Å
154E69.3Low73.1Confident138 Ų13884.2 Ų84.265%0.64549%0.485SS*.THydrogen-bonded Turntrans-92-30.1-178.4-61175.6-17700111.6P151 S152P151-E154 PolarHBondContact O-N 3.32Å; S152-E154 VanDerWaalsContact C-N 3.29Å
155T60.2Low71.3Confident27 Ų2789.7 Ų89.717%0.16652%0.518CS..SBendtrans-89.8107.1178.5-46.50000107.1P151 T157P151-T155 PolarHBondContact O-N 2.9Å; P151-T155 PolarHBondContact O-OG1 3.04Å; P151-T155 VanDerWaalsContact O-OG1 3.08Å; T155-T157 HydrophobicContact CG2-CG2 4.09Å; T155-T157 PolarHBondContact O-N 2.85Å; T155-T157 PolarHBondContact O-OG1 3.24Å
156C54.2Low69.5Low122 Ų12293.9 Ų93.982%0.82454%0.539SS*.  trans-65.237.4178-66.50000113.9C158C156-C158 PolarHBondContact O-N 2.94Å; C156-C158 VanDerWaalsContact O-N 3.11Å
157T50.3Low67.6Low50 Ų5099.2 Ų99.231%0.30757%0.566SS.*  trans-82.666.1162.547.20000107.9T155 V159T155-T157 HydrophobicContact CG2-CG2 4.09Å; T155-T157 PolarHBondContact O-N 2.85Å; T155-T157 PolarHBondContact O-OG1 3.24Å; T157-V159 PolarHBondContact O-N 2.8Å
158C48Very low65.6Low111 Ų111103.5 Ų103.575%0.7559%0.594SS**  trans-55.8111.9167.3-55.40000106.7C156C156-C158 PolarHBondContact O-N 2.94Å; C156-C158 VanDerWaalsContact O-N 3.11Å
159V54.4Low63.3Low103 Ų103100.7 Ų100.762%0.62459%0.59SS**  trans-48.4137.9154.2-179.70000105.4T157 G161T157-V159 PolarHBondContact O-N 2.8Å; V159-G161 PolarHBondContact O-N 3.46Å
160P45.4Very low60.8Low125 Ų125105.6 Ų105.681%0.81261%0.611SS**  trans-63.485.4174.425.1-31.6000108.1R162P160-R162 PolarHBondContact O-N 3Å
161G46.3Very low58.5Low62 Ų62110.6 Ų110.664%0.63964%0.641SS**  trans-64.5123170.300000105.4V159 A163V159-G161 PolarHBondContact O-N 3.46Å; G161-A163 PolarHBondContact O-N 3.11Å
162R58.6Low55.9Low234 Ų234117.1 Ų117.188%0.88368%0.676SS**  trans-23.7117.6171.5-143.2173.1179.2-175.7-2.8109.8P160P160-R162 PolarHBondContact O-N 3Å
163A48.5Very low53.6Low79 Ų79123.9 Ų123.965%0.65370%0.704SS**  trans-45.2135.5176.400000108.6G161 V165G161-A163 PolarHBondContact O-N 3.11Å; A163-V165 PolarHBondContact O-N 2.94Å
164P52.4Low51.3Low124 Ų124121.6 Ų121.681%0.80571%0.707SS**  trans-52.7120.4175.421.6-30.9000107.4M166P164-M166 PolarHBondContact O-N 3.26Å
165V60.7Low49.8Very low118 Ų118121.3 Ų121.372%0.71571%0.714SS**  trans-69.3104.4175.5179.60000105.1A163 D167A163-V165 PolarHBondContact O-N 2.94Å; V165-D167 PolarHBondContact O-N 3.36Å
166M59.7Low48.5Very low161 Ų161124.8 Ų124.879%0.79375%0.746SS**  trans-65.1120.2162.2-81.9-168.9-72.200106.7P164 T168P164-M166 PolarHBondContact O-N 3.26Å; M166-T168 PolarHBondContact O-N 3.21Å; M166-T168 PolarHBondContact O-OG1 2.79Å
167D57.2Low48Very low162 Ų162122.6 Ų122.687%0.86674%0.744SS**  trans-6293.4166.1-86.4-29000107.3V165 G169V165-D167 PolarHBondContact O-N 3.36Å; D167-G169 PolarHBondContact O-N 3.21Å; D167-G169 VanDerWaalsContact O-N 3.13Å
168T53.2Low47.5Very low124 Ų124127.3 Ų127.376%0.76177%0.767SS**  trans-81.295.5173.4-28.20000105.4M166 M170M166-T168 PolarHBondContact O-N 3.21Å; M166-T168 PolarHBondContact O-OG1 2.79Å; T168-M170 PolarHBondContact O-N 3.14Å; T168-M170 VanDerWaalsContact O-N 3.08Å
169G48.6Very low47.6Very low67 Ų67133.8 Ų133.869%0.69178%0.775SS**  trans-57.7112171.700000109.7D167 V171D167-G169 PolarHBondContact O-N 3.21Å; D167-G169 VanDerWaalsContact O-N 3.13Å; G169-V171 PolarHBondContact O-N 3.07Å
170M42.8Very low47.1Very low160 Ų160137.1 Ų137.179%0.78878%0.784SS**  trans-68.9114.1172.2-79.2178.857.500109T168 D172T168-M170 PolarHBondContact O-N 3.14Å; T168-M170 VanDerWaalsContact O-N 3.08Å; M170-D172 PolarHBondContact O-N 3.46Å
171V46.6Very low47.2Very low131 Ų131139.3 Ų139.379%0.79479%0.788SS**  trans-84.898164.7174.20000107.1G169 Q173G169-V171 PolarHBondContact O-N 3.07Å; V171-Q173 PolarHBondContact O-N 3.18Å
172D39.8Very low47.3Very low137 Ų137139.2 Ų139.273%0.73379%0.787SS**  trans-74.4116.3167-78.3-29000109.2M170 N174M170-D172 PolarHBondContact O-N 3.46Å; D172-N174 PolarHBondContact O-N 3.24Å
173Q44.2Very low46.8Very low172 Ų172134.4 Ų134.480%0.80479%0.786SS**  trans-81.1108.4169.9-68.3179.720.100109.4V171V171-Q173 PolarHBondContact O-N 3.18Å
174N35.9Very low46.9Very low147 Ų147138 Ų13879%0.78679%0.793SS**  -178.6114.5126.3-95.9-30.3000113.6D172D172-N174 PolarHBondContact O-N 3.24Å
175T38.9Very low47.1Very low132 Ų132141.2 Ų141.281%0.8180%0.797SS**  trans51.798139.4-37.70000120.2
176A33.7Very low47.1Very low99 Ų99140.9 Ų140.982%0.81880%0.796SS**  176.6136.6123.200000109.1
177G43Very low47Very low77 Ų77139.8 Ų139.879%0.79479%0.793SS**  trans-63.9137.8-165.400000115.7
178L39Very low47.4Very low149 Ų149139.4 Ų139.478%0.7879%0.786SS**  trans-147.1117.9139.6-141.183.5000107E180L178-E180 PolarHBondContact O-N 3.2Å
179R50.1Low47.9Very low246 Ų246138.5 Ų138.593%0.92878%0.781SS**  trans-67.1111.7165.4-75.6175.8159.1-170.2-6.1106.6
180E44.7Very low48.2Very low174 Ų174140.9 Ų140.981%0.81378%0.777SS**  trans-122.2119.2159.6-102.7-178.4165.700109.2L178L178-E180 PolarHBondContact O-N 3.2Å
181L46.8Very low48.7Very low171 Ų171139.6 Ų139.690%0.89577%0.772SS**PPolyproline II helixtrans-67.4124.3-176.5-67.2149000107.8
182G48.5Very low49Very low59 Ų59142.7 Ų142.761%0.60877%0.771SS**PPolyproline II helixtrans-55.8151165.600000110.1L184G182-L184 PolarHBondContact O-N 2.91Å
183P47.8Very low49.8Very low133 Ų133150.2 Ų150.286%0.86479%0.791SS**PPolyproline II helixtrans-59.8118.2-176.124.4-32.2000109.5E185P183-E185 PolarHBondContact O-N 3.21Å
184L50.5Low50.1Low156 Ų156149.1 Ų149.182%0.81779%0.79SS**  trans-73.3114174-17869.4000107.6G182 T186G182-L184 PolarHBondContact O-N 2.91Å; L184-T186 PolarHBondContact O-N 2.94Å; L184-T186 VanDerWaalsContact O-N 3.11Å
185E56.9Low50.8Low190 Ų190149.2 Ų149.289%0.88879%0.79SS**  trans-63.1109.3170.2-72.4-175.715000109P183P183-E185 PolarHBondContact O-N 3.21Å
186T61.2Low51.5Low111 Ų111150.2 Ų150.268%0.68179%0.789SS**  trans-90.9104.8166.944.80000108.6L184 E188L184-T186 PolarHBondContact O-N 2.94Å; L184-T186 VanDerWaalsContact O-N 3.11Å; T186-E188 PolarHBondContact O-N 3.11Å
187D57.2Low52.5Low138 Ų138153.2 Ų153.274%0.73879%0.788SS**  trans-80.7103162.8-177.55.7000108T189D187-T189 PolarHBondContact O-N 3.09Å
188E66.3Low53.1Low154 Ų154157.9 Ų157.972%0.7279%0.787SS**  trans-91.592.5169.7-70.4-123.2161.900109.3T186 L190T186-E188 PolarHBondContact O-N 3.11Å; E188-L190 PolarHBondContact O-N 3.21Å
189T62.7Low54Low106 Ų106158.5 Ų158.565%0.6579%0.788SS**  trans-79.7100.7164.2-23.50000108.9D187D187-T189 PolarHBondContact O-N 3.09Å
190L55Low54.3Low117 Ų117152.3 Ų152.361%0.61378%0.778SS**  trans-103.694.5168.7-70175000110.2E188 Y192E188-L190 PolarHBondContact O-N 3.21Å; L190-Y192 HydrophobicContact CB-CD2 4.3Å; L190-Y192 HydrophobicContact CB-CE2 4.18Å; L190-Y192 HydrophobicContact CD1-CE2 4.32Å; L190-Y192 HydrophobicContact CD2-CE2 4.22Å; L190-Y192 HydrophobicContact CG-CE2 4.48Å
191I54.9Low55.1Low132 Ų132150.6 Ų150.668%0.67778%0.775SS**  trans-78.7119.7157.5-61.5-81.8000106.4
192Y52.5Low55.8Low197 Ų197148.9 Ų148.977%0.77377%0.765SS**  trans-107.1130.9162.1-85.3-85.7000109.4L190L190-Y192 HydrophobicContact CB-CD2 4.3Å; L190-Y192 HydrophobicContact CB-CE2 4.18Å; L190-Y192 HydrophobicContact CD1-CE2 4.32Å; L190-Y192 HydrophobicContact CD2-CE2 4.22Å; L190-Y192 HydrophobicContact CG-CE2 4.48Å
193Y55.4Low56.4Low294 Ų294157.1 Ų157.1100%1.15378%0.779SS**  trans-71.50173.2-76.5-86.9000112.1

Retrieved 193 of 193 residues in 469.8 ms (Link to these results)

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