A0A077Z8U5_TRITR Loading...

Splicing factor 3B subunit 4

AlphaFold DB , UniProt , Accession A0A077Z8U5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 233 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
1M35.5Very low53.1Low248 Ų248124.8 Ų124.8100%1.22272%0.717SS**  0130.90-71.7-172-174.100107.5
2A34.6Very low55.9Low104 Ų104120.8 Ų120.886%0.8669%0.691SS**  trans-69.4129.5-171.300000111.1G4A2-G4 PolarHBondContact O-N 3.39Å
3A43Very low58.8Low102 Ų102111.5 Ų111.584%0.84364%0.638SS**  trans-64.8114.3167.300000108
4G41.2Very low61.4Low56 Ų56104.2 Ų104.258%0.57760%0.596SS**  trans-59160.7170.500000111.4A2 I6A2-G4 PolarHBondContact O-N 3.39Å; G4-I6 PolarHBondContact O-N 2.75Å
5P40.2Very low63.6Low115 Ų11597.3 Ų97.375%0.74756%0.557SS**  trans-57.6136.5-178.723.9-31.6000110.7Q7P5-Q7 PolarHBondContact O-N 2.96Å
6I53.6Low65.6Low125 Ų12594.1 Ų94.164%0.64153%0.533SS*.G310 helixtrans-63.93-177.3-64.5159000112.7G4G4-I6 PolarHBondContact O-N 2.75Å
7Q50.9Low67.3Low176 Ų17688.6 Ų88.682%0.82250%0.502SS*.G310 helixtrans-94-2.5-161.5-94.4163.3-15.800116.9P5P5-Q7 PolarHBondContact O-N 2.96Å
8D56.6Low68.7Low160 Ų16083.7 Ų83.786%0.85648%0.475SS*.G310 helixtrans-130.145.7172.1-83.1-57.7000111.7N10D8-N10 PolarHBondContact O-N 3.41Å
9R65.1Low69.9Low85 Ų8581.5 Ų81.532%0.32147%0.472SS..  trans-77.7122.4172-73.5-178.7173.5174.5-0.9109.1Q11 H43R9-Q11 PolarHBondContact O-N 3.29Å; R9-H43 PolarHBondContact NH2-CD2 3.39Å
10N81.2Confident71.1Confident76 Ų7677.9 Ų77.941%0.40645%0.451SS..  trans-70.794.1173.9-175.2-8.3000108.9D8 D12 A13 T14 E60D8-N10 PolarHBondContact O-N 3.41Å; N10-D12 PolarHBondContact O-N 2.89Å; N10-D12 PolarHBondContact OD1-N 3.37Å; N10-A13 HydrophobicContact CB-CB 4.11Å; N10-A13 WeakPolarHBondContact ND2-CB 3.47Å; N10-A13 CarbonylContact O-C 3.48Å; N10-A13 PolarHBondContact O-N 3.43Å; N10-A13 VanDerWaalsContact O-N 3.13Å; N10-A13 PolarHBondContact OD1-N 2.85Å; N10-T14 WeakPolarHBondContact O-CB 3.26Å; N10-T14 PolarHBondContact O-N 2.8Å; N10-T14 PolarHBondContact O-OG1 3.42Å; N10-E60 PolarHBondContact N-OE1 2.56Å
11Q82.2Confident72.2Confident126 Ų12675.3 Ų75.359%0.58944%0.435SS*.SBendtrans-60.7-29.2-175.5-64.4-173.94.500112.4R9 T14R9-Q11 PolarHBondContact O-N 3.29Å; Q11-T14 PolarHBondContact O-N 3.03Å
12D87Confident74.9Confident77 Ų7770.7 Ų70.741%0.41241%0.411SS..SBendtrans-74.7-33.8178.8-68.8-62.7000112.5N10 T14 E64 K88N10-D12 PolarHBondContact O-N 2.89Å; N10-D12 PolarHBondContact OD1-N 3.37Å; D12-T14 VanDerWaalsContact C-N 3.34Å; D12-E64 HydrophobicContact CB-CG 4.25Å; D12-K88 VanDerWaalsContact CA-CE 3.46Å; D12-K88 WeakPolarHBondContact O-CE 3.47Å; D12-K88 VanDerWaalsContact OD1-CE 3.23Å; D12-K88 WeakPolarHBondContact OD1-CE 3.35Å; D12-K88 IonicContact OD1-NZ 3.8Å; D12-K88 PolarHBondContact OD1-NZ 3.04Å; D12-K88 VanDerWaalsContact OD1-NZ 3.1Å
13A93.4Very high77.6Confident0 Ų073 Ų730%040%0.402CS..SBendtrans-89.95.7172.300000113.6N10 F61N10-A13 HydrophobicContact CB-CB 4.11Å; N10-A13 WeakPolarHBondContact ND2-CB 3.47Å; N10-A13 CarbonylContact O-C 3.48Å; N10-A13 PolarHBondContact O-N 3.43Å; N10-A13 VanDerWaalsContact O-N 3.13Å; N10-A13 PolarHBondContact OD1-N 2.85Å; A13-F61 WeakPolarHBondContact CB-O 3.47Å; A13-F61 PolarHBondContact O-N 3.12Å
14T94.7Very high80.1Confident9 Ų968.3 Ų68.36%0.05536%0.363CS..EExtended strand (participates in β ladder)trans-105.7127.8179.8-56.30000110.9N10 Q11 D12 F58 V59 A89N10-T14 WeakPolarHBondContact O-CB 3.26Å; N10-T14 PolarHBondContact O-N 2.8Å; N10-T14 PolarHBondContact O-OG1 3.42Å; Q11-T14 PolarHBondContact O-N 3.03Å; D12-T14 VanDerWaalsContact C-N 3.34Å; T14-F58 HydrophobicContact CG2-CB 4.05Å; T14-F58 HydrophobicContact CG2-CD1 4.32Å; T14-V59 WeakPolarHBondContact CA-O 3.1Å; T14-A89 HydrophobicContact CG2-CB 3.76Å; T14-A89 WeakPolarHBondContact O-CB 3.49Å; T14-A89 PolarHBondContact O-N 3.22Å
15I95.6Very high82.6Confident0 Ų069 Ų690%035%0.353CS..EExtended strand (participates in β ladder)trans-101.6144.4172.463.4165.3000111V17 F33 F58 V59 F61 A67 A70 I71 V86 N87I15-V17 HydrophobicContact CD1-CG2 3.87Å; I15-V17 HydrophobicContact CG1-CG2 4.17Å; I15-F33 HydrophobicContact CD1-CD1 3.64Å; I15-F33 HydrophobicContact CD1-CE1 3.26Å; I15-F33 HydrophobicContact CD1-CE2 4.4Å; I15-F33 HydrophobicContact CD1-CG 4.33Å; I15-F33 HydrophobicContact CD1-CZ 3.71Å; I15-F58 VanDerWaalsContact O-CA 3.28Å; I15-F58 WeakPolarHBondContact O-CA 3.26Å; I15-V59 HydrophobicContact CD1-CB 4Å; I15-V59 HydrophobicContact CD1-CG2 4.49Å; I15-V59 HydrophobicContact CG1-CB 3.68Å; I15-V59 HydrophobicContact CG1-CG2 4.45Å; I15-V59 WeakPolarHBondContact CG1-O 3.44Å; I15-V59 PolarHBondContact N-O 2.76Å; I15-V59 PolarHBondContact O-N 2.99Å; I15-F61 HydrophobicContact CD1-CE2 3.66Å; I15-F61 HydrophobicContact CD1-CZ 4.39Å; I15-F61 HydrophobicContact CG1-CD2 4.49Å; I15-F61 HydrophobicContact CG1-CE2 3.93Å; I15-F61 HydrophobicContact CG2-CD2 4.48Å; I15-F61 HydrophobicContact CG2-CE2 4.3Å; I15-A67 HydrophobicContact CG2-CB 3.77Å; I15-A70 HydrophobicContact CD1-CB 4.28Å; I15-I71 HydrophobicContact CG2-CD1 3.93Å; I15-I71 HydrophobicContact CG2-CG1 3.76Å; I15-V86 HydrophobicContact CB-CG1 4.11Å; I15-V86 HydrophobicContact CD1-CG1 3.54Å; I15-V86 HydrophobicContact CG1-CG1 4.35Å; I15-N87 CarbonylContact C-O 3.6Å; I15-N87 WeakPolarHBondContact CA-O 3.42Å
16Y94.5Very high85.1Confident47 Ų4767.1 Ų67.118%0.18433%0.334CS..EExtended strand (participates in β ladder)trans-88.6129.8163.8169.7-90000109.2Y56 F58 V86 N87Y16-Y56 HydrophobicContact CD2-CD2 4.09Å; Y16-Y56 AromaticContact CE2-CD2 3.49Å; Y16-Y56 HydrophobicContact CE2-CD2 3.49Å; Y16-Y56 VanDerWaalsContact CE2-CD2 3.49Å; Y16-Y56 HydrophobicContact CE2-CE2 4.35Å; Y16-Y56 AromaticContact CE2-CG 3.69Å; Y16-Y56 HydrophobicContact CE2-CG 3.69Å; Y16-Y56 WeakPolarHBondContact OH-CB 3.38Å; Y16-F58 AromaticContact CD2-CE1 3.92Å; Y16-F58 HydrophobicContact CD2-CE1 3.92Å; Y16-F58 HydrophobicContact CD2-CZ 4.26Å; Y16-V86 WeakPolarHBondContact O-CA 3.23Å; Y16-N87 PolarHBondContact N-O 3.31Å; Y16-N87 PolarHBondContact O-N 3.33Å
17V94.8Very high87.1Confident0 Ų063.6 Ų63.60%032%0.324CS..EExtended strand (participates in β ladder)trans-117.8110.9175.2-168.80000108.7I15 L20 L29 F33 Y56 G57 V59 I84 R85 V86I15-V17 HydrophobicContact CD1-CG2 3.87Å; I15-V17 HydrophobicContact CG1-CG2 4.17Å; V17-L20 HydrophobicContact CG1-CD2 3.77Å; V17-L20 HydrophobicContact CG1-CG 4.47Å; V17-L29 HydrophobicContact CG1-CD2 4.36Å; V17-F33 HydrophobicContact CB-CE2 4.47Å; V17-F33 HydrophobicContact CG1-CE2 4.09Å; V17-F33 HydrophobicContact CG1-CZ 4.12Å; V17-F33 HydrophobicContact CG2-CE2 3.61Å; V17-F33 HydrophobicContact CG2-CZ 3.57Å; V17-Y56 CarbonylContact O-C 3.51Å; V17-Y56 WeakPolarHBondContact O-CA 3.3Å; V17-Y56 WeakPolarHBondContact O-CB 3.39Å; V17-G57 PolarHBondContact N-O 3.13Å; V17-G57 PolarHBondContact O-N 3.19Å; V17-V59 HydrophobicContact CG2-CG2 3.93Å; V17-I84 HydrophobicContact CG1-CB 4.27Å; V17-I84 HydrophobicContact CG1-CD1 4.25Å; V17-R85 CarbonylContact C-O 3.44Å; V17-R85 VanDerWaalsContact CA-O 3.28Å; V17-R85 WeakPolarHBondContact CA-O 3.47Å; V17-V86 HydrophobicContact CG1-CG2 4.45Å
18G93.2Very high89.2Confident1 Ų157 Ų571%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-114.1173179.600000113.2L20 I84 R85G18-L20 VanDerWaalsContact C-N 3.34Å; G18-I84 WeakPolarHBondContact O-CA 3.33Å; G18-R85 PolarHBondContact N-O 2.74Å; G18-R85 PolarHBondContact O-N 3.07Å
19G90.4Very high91.1Very high41 Ų4149.4 Ų49.442%0.42325%0.254SS..SBendtrans76.322.5179.700000113.6G55G19-G55 PolarHBondContact N-O 2.77Å; G19-G55 VanDerWaalsContact N-O 3.11Å
20L94.4Very high92.6Very high9 Ų950.6 Ų50.65%0.04726%0.258CS..  trans-73.8134.4-176.9-57179.7000111.2V17 G18 V24 L29 M44 G55 I84V17-L20 HydrophobicContact CG1-CD2 3.77Å; V17-L20 HydrophobicContact CG1-CG 4.47Å; G18-L20 VanDerWaalsContact C-N 3.34Å; L20-V24 HydrophobicContact CB-CB 4.35Å; L20-V24 HydrophobicContact CB-CG2 4.37Å; L20-V24 HydrophobicContact CD1-CG1 4.44Å; L20-V24 HydrophobicContact CD2-CG1 4.36Å; L20-L29 HydrophobicContact CD1-CD1 3.96Å; L20-L29 HydrophobicContact CD1-CD2 4.27Å; L20-L29 HydrophobicContact CD2-CD2 3.92Å; L20-M44 HydrophobicContact CB-CE 4.33Å; L20-M44 HydrophobicContact CD1-CE 3.51Å; L20-G55 PolarHBondContact N-O 2.88Å; L20-I84 HydrophobicContact CD2-CB 4.44Å; L20-I84 HydrophobicContact CD2-CG2 3.81Å
21D94.1Very high93.3Very high24 Ų2453 Ų5313%0.12827%0.267CS..  trans-69.4148171-166.9-99.4000111.4K23 V24 H53 F80 K82D21-K23 PolarHBondContact O-N 2.8Å; D21-K23 WeakPolarHBondContact OD1-CG 3.44Å; D21-K23 PolarHBondContact OD1-N 2.97Å; D21-V24 HydrophobicContact CB-CG2 4.19Å; D21-V24 VanDerWaalsContact O-CB 3.28Å; D21-V24 WeakPolarHBondContact O-CB 3.49Å; D21-V24 VanDerWaalsContact O-CG2 3.26Å; D21-V24 WeakPolarHBondContact O-CG2 3.23Å; D21-V24 PolarHBondContact O-N 2.96Å; D21-H53 VanDerWaalsContact C-CE1 3.47Å; D21-H53 PolarHBondContact O-CE1 3.26Å; D21-H53 PolarHBondContact O-NE2 2.91Å; D21-F80 HydrophobicContact CB-CB 3.87Å; D21-F80 HydrophobicContact CB-CD2 4.5Å; D21-K82 HydrophobicContact CB-CD 3.98Å; D21-K82 WeakPolarHBondContact OD2-CD 3.34Å; D21-K82 VanDerWaalsContact OD2-CE 3.23Å; D21-K82 WeakPolarHBondContact OD2-CE 3.19Å; D21-K82 IonicContact OD2-NZ 2.67Å; D21-K82 PolarHBondContact OD2-NZ 3.4Å
22E91.5Very high93.9Very high152 Ų15248.6 Ų48.671%0.7125%0.247SC*.THydrogen-bonded Turntrans-56.4-18.8-178.7-66.1178.4-178.100114.5H53E22-H53 VanDerWaalsContact C-NE2 3.3Å; E22-H53 WeakPolarHBondContact CA-CE1 3.19Å; E22-H53 VanDerWaalsContact CA-NE2 3.34Å; E22-H53 WeakPolarHBondContact CA-NE2 3.37Å; E22-H53 PolarHBondContact O-NE2 3.07Å
23K92.5Very high94.3Very high153 Ų15345 Ų4567%0.66523%0.228SC*.THydrogen-bonded Turntrans-82.4-12.8176.5-64.1177-176.9176.80113.8D21 F80D21-K23 PolarHBondContact O-N 2.8Å; D21-K23 WeakPolarHBondContact OD1-CG 3.44Å; D21-K23 PolarHBondContact OD1-N 2.97Å; K23-F80 HydrophobicContact CB-CD1 4.19Å; K23-F80 HydrophobicContact CB-CD2 4.22Å; K23-F80 HydrophobicContact CB-CE1 4.23Å; K23-F80 HydrophobicContact CB-CE2 4.28Å; K23-F80 HydrophobicContact CB-CG 4.18Å; K23-F80 HydrophobicContact CB-CZ 4.28Å; K23-F80 HydrophobicContact CD-CD1 4.28Å
24V94.7Very high94.5Very high3 Ų348 Ų482%0.01825%0.246CC..  trans-72135.5-177.11780000110.2L20 D21 N28 L29 M44 H53 L79 F80L20-V24 HydrophobicContact CB-CB 4.35Å; L20-V24 HydrophobicContact CB-CG2 4.37Å; L20-V24 HydrophobicContact CD1-CG1 4.44Å; L20-V24 HydrophobicContact CD2-CG1 4.36Å; D21-V24 HydrophobicContact CB-CG2 4.19Å; D21-V24 VanDerWaalsContact O-CB 3.28Å; D21-V24 WeakPolarHBondContact O-CB 3.49Å; D21-V24 VanDerWaalsContact O-CG2 3.26Å; D21-V24 WeakPolarHBondContact O-CG2 3.23Å; D21-V24 PolarHBondContact O-N 2.96Å; V24-N28 HydrophobicContact CG1-CB 4.28Å; V24-L29 HydrophobicContact CG1-CD2 3.96Å; V24-L29 HydrophobicContact CG1-CG 4.02Å; V24-M44 HydrophobicContact CB-CE 4.18Å; V24-M44 HydrophobicContact CG1-CE 4.01Å; V24-H53 PolarHBondContact O-CD2 2.93Å; V24-H53 PolarHBondContact O-NE2 2.85Å; V24-L79 HydrophobicContact CB-CD2 4.3Å; V24-L79 HydrophobicContact CG1-CD2 3.73Å; V24-L79 HydrophobicContact CG2-CD2 3.49Å; V24-L79 VanDerWaalsContact CG2-CD2 3.49Å; V24-L79 HydrophobicContact CG2-CG 3.86Å; V24-F80 HydrophobicContact CB-CE2 4.46Å; V24-F80 HydrophobicContact CG2-CD2 3.51Å; V24-F80 HydrophobicContact CG2-CE2 3.77Å
25N93.3Very high94.4Very high71 Ų7154.6 Ų54.638%0.3828%0.276SS..  trans-121175.6170.868.934.5000112A27 N28 L29N25-A27 VanDerWaalsContact C-N 3.26Å; N25-A27 PolarHBondContact O-N 2.96Å; N25-A27 WeakPolarHBondContact OD1-CA 3.39Å; N25-A27 WeakPolarHBondContact OD1-CB 3.47Å; N25-A27 PolarHBondContact OD1-N 3.46Å; N25-N28 PolarHBondContact N-OD1 3.23Å; N25-N28 PolarHBondContact ND2-OD1 3.26Å; N25-N28 WeakPolarHBondContact O-CB 3.49Å; N25-N28 PolarHBondContact O-N 3.47Å; N25-N28 PolarHBondContact OD1-N 3.4Å; N25-N28 PolarHBondContact OD1-OD1 3.04Å; N25-L29 PolarHBondContact O-N 3.39Å
26E93.7Very high94.4Very high74 Ų7455.1 Ų55.135%0.34628%0.28SS..Hα-helixtrans-61.3-33.5-179.7-67.7175.9154.600112.5L29 W30 V42 M44E26-L29 PolarHBondContact O-N 3Å; E26-W30 WeakPolarHBondContact O-CB 3.49Å; E26-W30 PolarHBondContact O-N 3.12Å; E26-V42 HydrophobicContact CB-CG1 4.05Å; E26-V42 HydrophobicContact CG-CG1 4.2Å; E26-M44 HydrophobicContact CG-CB 3.65Å; E26-M44 PolarHBondContact OE1-N 3.32Å; E26-M44 VanDerWaalsContact OE1-N 3.12Å
27A95Very high94.4Very high52 Ų5253.4 Ų53.443%0.4328%0.278SS..Hα-helixtrans-67.8-39.9177.200000111.7N25 L29 W30 E31N25-A27 VanDerWaalsContact C-N 3.26Å; N25-A27 PolarHBondContact O-N 2.96Å; N25-A27 WeakPolarHBondContact OD1-CA 3.39Å; N25-A27 WeakPolarHBondContact OD1-CB 3.47Å; N25-A27 PolarHBondContact OD1-N 3.46Å; A27-L29 VanDerWaalsContact C-N 3.31Å; A27-L29 PolarHBondContact O-N 2.8Å; A27-W30 PolarHBondContact O-N 2.82Å; A27-E31 WeakPolarHBondContact O-CB 3.23Å; A27-E31 WeakPolarHBondContact O-CG 3.07Å; A27-E31 PolarHBondContact O-N 3.14Å
28N95.3Very high94.5Very high38 Ų3856.8 Ų56.820%0.20330%0.299CS..Hα-helixtrans-60.3-41.4174.6-63.2116.7000111.8V24 N25 L32V24-N28 HydrophobicContact CG1-CB 4.28Å; N25-N28 PolarHBondContact N-OD1 3.23Å; N25-N28 PolarHBondContact ND2-OD1 3.26Å; N25-N28 WeakPolarHBondContact O-CB 3.49Å; N25-N28 PolarHBondContact O-N 3.47Å; N25-N28 PolarHBondContact OD1-N 3.4Å; N25-N28 PolarHBondContact OD1-OD1 3.04Å; N28-L32 VanDerWaalsContact O-CB 3.32Å; N28-L32 WeakPolarHBondContact O-CB 3.49Å; N28-L32 PolarHBondContact O-N 3.01Å; N28-L32 VanDerWaalsContact O-N 3.08Å
29L95.8Very high94.6Very high0 Ų057.5 Ų57.50%030%0.303CS..Hα-helixtrans-67.9-43.1176.6-64.8-177.5000111.1V17 L20 V24 N25 E26 A27 E31 L32 F33 V42 L79V17-L29 HydrophobicContact CG1-CD2 4.36Å; L20-L29 HydrophobicContact CD1-CD1 3.96Å; L20-L29 HydrophobicContact CD1-CD2 4.27Å; L20-L29 HydrophobicContact CD2-CD2 3.92Å; V24-L29 HydrophobicContact CG1-CD2 3.96Å; V24-L29 HydrophobicContact CG1-CG 4.02Å; N25-L29 PolarHBondContact O-N 3.39Å; E26-L29 PolarHBondContact O-N 3Å; A27-L29 VanDerWaalsContact C-N 3.31Å; A27-L29 PolarHBondContact O-N 2.8Å; L29-E31 PolarHBondContact O-N 3.39Å; L29-L32 PolarHBondContact O-N 2.89Å; L29-F33 HydrophobicContact CB-CD2 4.49Å; L29-F33 HydrophobicContact CD2-CE2 4.28Å; L29-F33 WeakPolarHBondContact O-CB 3.32Å; L29-F33 VanDerWaalsContact O-CD2 3.28Å; L29-F33 WeakPolarHBondContact O-CD2 3.38Å; L29-F33 PolarHBondContact O-N 3.37Å; L29-V42 HydrophobicContact CB-CG1 3.92Å; L29-V42 HydrophobicContact CD1-CG1 4.06Å; L29-L79 HydrophobicContact CD2-CD2 4.27Å
30W96.4Very high94.8Very high110 Ų11059.4 Ų59.442%0.41731%0.307SS..Hα-helixtrans-57-51.5175.9-178.4-79.1000111.8E26 A27 L32 F33 V34 V39 V42E26-W30 WeakPolarHBondContact O-CB 3.49Å; E26-W30 PolarHBondContact O-N 3.12Å; A27-W30 PolarHBondContact O-N 2.82Å; W30-L32 VanDerWaalsContact C-N 3.29Å; W30-L32 PolarHBondContact O-N 3.41Å; W30-F33 PolarHBondContact O-N 3.48Å; W30-V34 WeakPolarHBondContact O-CB 3.38Å; W30-V34 PolarHBondContact O-N 2.75Å; W30-V39 HydrophobicContact CD2-CB 4.49Å; W30-V39 HydrophobicContact CD2-CG1 4.35Å; W30-V39 HydrophobicContact CE3-CB 4.19Å; W30-V39 HydrophobicContact CE3-CG1 3.66Å; W30-V39 HydrophobicContact CH2-CB 4.17Å; W30-V39 HydrophobicContact CH2-CG1 4.23Å; W30-V39 WeakPolarHBondContact CH2-O 3.42Å; W30-V39 HydrophobicContact CZ2-CB 4.48Å; W30-V39 HydrophobicContact CZ3-CB 4.02Å; W30-V39 HydrophobicContact CZ3-CG1 3.59Å; W30-V42 HydrophobicContact CB-CG2 4.17Å; W30-V42 HydrophobicContact CE3-CG2 3.86Å
31E96.1Very high94.8Very high127 Ų12760.9 Ų60.959%0.59332%0.318SS*.Hα-helixtrans-62.3-34.5180-73.1175177.800113A27 L29 V34A27-E31 WeakPolarHBondContact O-CB 3.23Å; A27-E31 WeakPolarHBondContact O-CG 3.07Å; A27-E31 PolarHBondContact O-N 3.14Å; L29-E31 PolarHBondContact O-N 3.39Å; E31-V34 WeakPolarHBondContact O-CG1 3.41Å
32L95.4Very high94.9Very high33 Ų3360.9 Ų60.917%0.17332%0.318CS..Hα-helixtrans-71.9-49.9177-179.162.5000111.4N28 L29 W30 Q35 M74 I84N28-L32 VanDerWaalsContact O-CB 3.32Å; N28-L32 WeakPolarHBondContact O-CB 3.49Å; N28-L32 PolarHBondContact O-N 3.01Å; N28-L32 VanDerWaalsContact O-N 3.08Å; L29-L32 PolarHBondContact O-N 2.89Å; W30-L32 VanDerWaalsContact C-N 3.29Å; W30-L32 PolarHBondContact O-N 3.41Å; L32-Q35 WeakPolarHBondContact O-CB 3.35Å; L32-Q35 PolarHBondContact O-N 2.9Å; L32-M74 HydrophobicContact CD1-SD 4.46Å; L32-M74 VanDerWaalsContact O-CE 3.29Å; L32-M74 WeakPolarHBondContact O-CE 3.06Å; L32-I84 HydrophobicContact CD2-CD1 3.67Å
33F96.6Very high95Very high0 Ų056.9 Ų56.90%030%0.3CS..Hα-helixtrans-82-18.7-170.9-77.7-74.8000114.3I15 V17 L29 W30 Q35 A36 G37 V39 V59 F61 A70 M74 I84 V86I15-F33 HydrophobicContact CD1-CD1 3.64Å; I15-F33 HydrophobicContact CD1-CE1 3.26Å; I15-F33 HydrophobicContact CD1-CE2 4.4Å; I15-F33 HydrophobicContact CD1-CG 4.33Å; I15-F33 HydrophobicContact CD1-CZ 3.71Å; V17-F33 HydrophobicContact CB-CE2 4.47Å; V17-F33 HydrophobicContact CG1-CE2 4.09Å; V17-F33 HydrophobicContact CG1-CZ 4.12Å; V17-F33 HydrophobicContact CG2-CE2 3.61Å; V17-F33 HydrophobicContact CG2-CZ 3.57Å; L29-F33 HydrophobicContact CB-CD2 4.49Å; L29-F33 HydrophobicContact CD2-CE2 4.28Å; L29-F33 WeakPolarHBondContact O-CB 3.32Å; L29-F33 VanDerWaalsContact O-CD2 3.28Å; L29-F33 WeakPolarHBondContact O-CD2 3.38Å; L29-F33 PolarHBondContact O-N 3.37Å; W30-F33 PolarHBondContact O-N 3.48Å; F33-Q35 PolarHBondContact O-N 3.03Å; F33-Q35 VanDerWaalsContact O-N 3.13Å; F33-A36 WeakPolarHBondContact O-CB 3.41Å; F33-A36 PolarHBondContact O-N 2.89Å; F33-G37 PolarHBondContact O-N 2.83Å; F33-V39 HydrophobicContact CB-CG2 4.07Å; F33-V59 HydrophobicContact CB-CG1 4Å; F33-V59 HydrophobicContact CD2-CG1 4.48Å; F33-V59 HydrophobicContact CD2-CG2 3.84Å; F33-V59 HydrophobicContact CE2-CG2 4.18Å; F33-V59 HydrophobicContact CG-CG1 4.23Å; F33-V59 HydrophobicContact CG-CG2 4.37Å; F33-F61 HydrophobicContact CB-CE1 4.47Å; F33-F61 HydrophobicContact CB-CZ 3.93Å; F33-F61 HydrophobicContact CD1-CE2 4.39Å; F33-F61 AromaticContact CD1-CZ 3.87Å; F33-F61 HydrophobicContact CD1-CZ 3.87Å; F33-F61 HydrophobicContact CG-CZ 4.28Å; F33-A70 HydrophobicContact CD1-CB 4.12Å; F33-A70 HydrophobicContact CE1-CB 4.28Å; F33-M74 HydrophobicContact CD1-CB 4.34Å; F33-M74 HydrophobicContact CD1-CG 4.09Å; F33-M74 HydrophobicContact CE1-CB 3.65Å; F33-M74 HydrophobicContact CE1-CG 3.91Å; F33-M74 HydrophobicContact CZ-CB 4.28Å; F33-I84 HydrophobicContact CZ-CD1 4.21Å; F33-V86 HydrophobicContact CE1-CG1 4.24Å; F33-V86 HydrophobicContact CE1-CG2 4.16Å; F33-V86 HydrophobicContact CZ-CG1 4.41Å; F33-V86 HydrophobicContact CZ-CG2 3.81Å
34V96.2Very high95Very high63 Ų6349.8 Ų49.838%0.38227%0.269SS..THydrogen-bonded Turntrans-60.9-21.3171.176.40000112.6W30 E31 A36W30-V34 WeakPolarHBondContact O-CB 3.38Å; W30-V34 PolarHBondContact O-N 2.75Å; E31-V34 WeakPolarHBondContact O-CG1 3.41Å; V34-A36 VanDerWaalsContact C-N 3.28Å; V34-A36 PolarHBondContact O-N 3.46Å
35Q94Very high94.8Very high149 Ų14950.7 Ų50.770%0.69628%0.275SS*.THydrogen-bonded Turntrans-71.3-21.8173.8-56.2-60-48.300113L32 F33 M74L32-Q35 WeakPolarHBondContact O-CB 3.35Å; L32-Q35 PolarHBondContact O-N 2.9Å; F33-Q35 PolarHBondContact O-N 3.03Å; F33-Q35 VanDerWaalsContact O-N 3.13Å; Q35-M74 HydrophobicContact CB-CE 3.72Å
36A94.2Very high94.6Very high10 Ų1052.4 Ų52.48%0.08328%0.279CS..THydrogen-bonded Turntrans-89.8-32.1178.300000112.6F33 V34 F61 Y69 A70 M74F33-A36 WeakPolarHBondContact O-CB 3.41Å; F33-A36 PolarHBondContact O-N 2.89Å; V34-A36 VanDerWaalsContact C-N 3.28Å; V34-A36 PolarHBondContact O-N 3.46Å; A36-F61 HydrophobicContact CB-CE1 4.26Å; A36-F61 HydrophobicContact CB-CZ 4.25Å; A36-Y69 HydrophobicContact CB-CD1 4.1Å; A36-Y69 HydrophobicContact CB-CE1 4.38Å; A36-Y69 WeakPolarHBondContact O-CD1 3.07Å; A36-A70 HydrophobicContact CB-CB 3.73Å; A36-M74 HydrophobicContact CB-CE 3.93Å; A36-M74 HydrophobicContact CB-CG 4.29Å
37G95.1Very high94.2Very high12 Ų1252 Ų5212%0.12428%0.279CS..SBendtrans173.2177.4179.500000112.8F33 V39F33-G37 PolarHBondContact O-N 2.83Å; G37-V39 PolarHBondContact O-N 3.04Å
38P96.2Very high93.5Very high70 Ų7060.7 Ų60.746%0.45530%0.301SS..  trans-65.1115.3179.9-18.632.1000111.9F61 M62P38-F61 WeakPolarHBondContact O-CA 3.21Å; P38-M62 HydrophobicContact CB-CB 4.05Å; P38-M62 HydrophobicContact CB-SD 4.47Å; P38-M62 PolarHBondContact O-N 3.47Å
39V96.2Very high92.9Very high16 Ų1666.3 Ų66.310%0.09733%0.329CS..EExtended strand (participates in β ladder)trans-87.1130.1178.3-178.50000110W30 F33 G37 V42 V59 F61W30-V39 HydrophobicContact CD2-CB 4.49Å; W30-V39 HydrophobicContact CD2-CG1 4.35Å; W30-V39 HydrophobicContact CE3-CB 4.19Å; W30-V39 HydrophobicContact CE3-CG1 3.66Å; W30-V39 HydrophobicContact CH2-CB 4.17Å; W30-V39 HydrophobicContact CH2-CG1 4.23Å; W30-V39 WeakPolarHBondContact CH2-O 3.42Å; W30-V39 HydrophobicContact CZ2-CB 4.48Å; W30-V39 HydrophobicContact CZ3-CB 4.02Å; W30-V39 HydrophobicContact CZ3-CG1 3.59Å; F33-V39 HydrophobicContact CB-CG2 4.07Å; G37-V39 PolarHBondContact O-N 3.04Å; V39-V42 HydrophobicContact CG1-CG2 3.91Å; V39-V59 HydrophobicContact CG1-CG1 3.76Å; V39-V59 HydrophobicContact CG2-CG1 4.17Å; V39-F61 HydrophobicContact CG2-CD1 4.27Å; V39-F61 HydrophobicContact CG2-CE1 3.92Å
40V95.4Very high92.3Very high82 Ų8269.3 Ų69.350%0.49735%0.35SS..EExtended strand (participates in β ladder)trans-88.5-49175.5174.60000110.2E60 M62V40-E60 HydrophobicContact CB-CB 4.48Å; V40-E60 HydrophobicContact CB-CG 4.21Å; V40-E60 PolarHBondContact N-O 3.01Å; V40-M62 HydrophobicContact CG2-CB 4.06Å
41S94.3Very high91.4Very high39 Ų3968.8 Ų68.827%0.27336%0.362SS..EExtended strand (participates in β ladder)trans-151.1149.3-177.180.90000112.4E60S41-E60 PolarHBondContact N-O 3.32Å; S41-E60 PolarHBondContact O-N 2.81Å; S41-E60 WeakPolarHBondContact OG-CB 3.42Å; S41-E60 PolarHBondContact OG-OE2 3.28Å
42V95.5Very high90.8Very high24 Ų2465.8 Ų65.815%0.14535%0.353CS..EExtended strand (participates in β ladder)trans-122.5130.7169.3175.90000107.1E26 L29 W30 V39 F58 V59E26-V42 HydrophobicContact CB-CG1 4.05Å; E26-V42 HydrophobicContact CG-CG1 4.2Å; L29-V42 HydrophobicContact CB-CG1 3.92Å; L29-V42 HydrophobicContact CD1-CG1 4.06Å; W30-V42 HydrophobicContact CB-CG2 4.17Å; W30-V42 HydrophobicContact CE3-CG2 3.86Å; V39-V42 HydrophobicContact CG1-CG2 3.91Å; V42-F58 WeakPolarHBondContact CA-O 3.18Å; V42-V59 HydrophobicContact CG1-CG2 4.49Å; V42-V59 HydrophobicContact CG2-CG1 4.17Å; V42-V59 HydrophobicContact CG2-CG2 4.22Å
43H93.2Very high90.6Very high68 Ų6865.1 Ų65.132%0.31535%0.349SS..EExtended strand (participates in β ladder)trans-130.8117.9178.6-179.460.2000110.5R9 G57 F58R9-H43 PolarHBondContact NH2-CD2 3.39Å; H43-G57 CarbonylContact O-C 3.57Å; H43-G57 WeakPolarHBondContact O-CA 3.37Å; H43-F58 PolarHBondContact N-O 3.14Å; H43-F58 PolarHBondContact O-N 2.73Å
44M92.7Very high90.2Very high5 Ų570.3 Ų70.33%0.02537%0.373CS..  trans-115105.2178.1-164-172.9-148.300110.4L20 V24 E26 K46 H53L20-M44 HydrophobicContact CB-CE 4.33Å; L20-M44 HydrophobicContact CD1-CE 3.51Å; V24-M44 HydrophobicContact CB-CE 4.18Å; V24-M44 HydrophobicContact CG1-CE 4.01Å; E26-M44 HydrophobicContact CG-CB 3.65Å; E26-M44 PolarHBondContact OE1-N 3.32Å; E26-M44 VanDerWaalsContact OE1-N 3.12Å; M44-K46 PolarHBondContact O-N 3.19Å; M44-H53 HydrophobicContact CE-CB 3.52Å; M44-H53 WeakPolarHBondContact CE-CD2 3.19Å; M44-H53 HydrophobicContact CG-CB 3.65Å; M44-H53 HydrophobicContact SD-CB 3.42Å; M44-H53 WeakPolarHBondContact SD-CB 3.19Å; M44-H53 VanDerWaalsContact SD-CD2 3.55Å
45P90.3Very high90Very high21 Ų2168.2 Ų68.214%0.13636%0.364CS..  trans-59.3125175.8-26.336.6000111.8H53 Q54 Y56 F58P45-H53 WeakPolarHBondContact O-CA 3.48Å; P45-Q54 PolarHBondContact O-N 2.92Å; P45-Q54 VanDerWaalsContact O-N 3.11Å; P45-Y56 HydrophobicContact CB-CE2 4.48Å; P45-Y56 HydrophobicContact CG-CE2 3.8Å; P45-F58 HydrophobicContact CG-CD2 4.49Å; P45-F58 HydrophobicContact CG-CE2 4.25Å
46K89.6Confident90Very high108 Ų10863.9 Ų63.947%0.4734%0.341SS..BIsolated β-bridgetrans-111.9142.6177.8-62.8178.2-172.4176.40110.7M44 T52 H53M44-K46 PolarHBondContact O-N 3.19Å; K46-T52 CarbonylContact C-O 3.55Å; K46-T52 WeakPolarHBondContact CA-O 3.36Å; K46-H53 HydrophobicContact CG-CB 4.2Å
47D85.6Confident90Very high65 Ų6563.4 Ų63.435%0.34834%0.338SS..  trans-63.4138.3167.7179.357.9000109.9I49 S50 C51 T52D47-I49 VanDerWaalsContact C-N 3.26Å; D47-I49 PolarHBondContact O-N 2.94Å; D47-I49 WeakPolarHBondContact OD2-CA 3.47Å; D47-I49 WeakPolarHBondContact OD2-CB 3.4Å; D47-I49 PolarHBondContact OD2-N 2.95Å; D47-S50 WeakPolarHBondContact CB-OG 3.28Å; D47-S50 PolarHBondContact OD2-N 3.49Å; D47-S50 PolarHBondContact OD2-OG 3.28Å; D47-C51 WeakPolarHBondContact O-CA 3.47Å; D47-C51 PolarHBondContact O-N 3.37Å; D47-C51 VanDerWaalsContact O-N 3.15Å; D47-T52 PolarHBondContact N-O 2.86Å
48R79.1Confident90Very high235 Ų23565.2 Ų65.289%0.88734%0.342SS*.THydrogen-bonded Turntrans-73.7-21-173.4-170.7178.4-72.8-173.6-2.2112.1
49I83.7Confident90Very high156 Ų15661.9 Ų61.980%0.832%0.321SS*.THydrogen-bonded Turntrans-96.4-53.7-175.1-57.2171.7000110D47 C51D47-I49 VanDerWaalsContact C-N 3.26Å; D47-I49 PolarHBondContact O-N 2.94Å; D47-I49 WeakPolarHBondContact OD2-CA 3.47Å; D47-I49 WeakPolarHBondContact OD2-CB 3.4Å; D47-I49 PolarHBondContact OD2-N 2.95Å; I49-C51 VanDerWaalsContact C-N 3.33Å
50S82.8Confident89.9Confident63 Ų6362.5 Ų62.544%0.44132%0.322SS..THydrogen-bonded Turntrans-79.9-14.9-177.464.10000113.7D47 T52D47-S50 WeakPolarHBondContact CB-OG 3.28Å; D47-S50 PolarHBondContact OD2-N 3.49Å; D47-S50 PolarHBondContact OD2-OG 3.28Å; S50-T52 PolarHBondContact O-N 3.21Å; S50-T52 PolarHBondContact OG-N 3.34Å; S50-T52 PolarHBondContact OG-OG1 3.44Å
51C77.7Confident90Very high98 Ų9858.7 Ų58.766%0.66230%0.299SS*.  trans55.814.4-168.2-67.40000113.8D47 I49D47-C51 WeakPolarHBondContact O-CA 3.47Å; D47-C51 PolarHBondContact O-N 3.37Å; D47-C51 VanDerWaalsContact O-N 3.15Å; I49-C51 VanDerWaalsContact C-N 3.33Å
52T84Confident90Very high65 Ų6563.8 Ų63.840%0.39932%0.32SS..  trans-89.8146.9174.861.50000109.9K46 D47 S50K46-T52 CarbonylContact C-O 3.55Å; K46-T52 WeakPolarHBondContact CA-O 3.36Å; D47-T52 PolarHBondContact N-O 2.86Å; S50-T52 PolarHBondContact O-N 3.21Å; S50-T52 PolarHBondContact OG-N 3.34Å; S50-T52 PolarHBondContact OG-OG1 3.44Å
53H89.5Confident89.9Confident19 Ų1963.8 Ų63.89%0.08833%0.325CS..BIsolated β-bridgetrans-73.7156.4175.258.669.2000111.6D21 E22 V24 M44 P45 K46 G55D21-H53 VanDerWaalsContact C-CE1 3.47Å; D21-H53 PolarHBondContact O-CE1 3.26Å; D21-H53 PolarHBondContact O-NE2 2.91Å; E22-H53 VanDerWaalsContact C-NE2 3.3Å; E22-H53 WeakPolarHBondContact CA-CE1 3.19Å; E22-H53 VanDerWaalsContact CA-NE2 3.34Å; E22-H53 WeakPolarHBondContact CA-NE2 3.37Å; E22-H53 PolarHBondContact O-NE2 3.07Å; V24-H53 PolarHBondContact O-CD2 2.93Å; V24-H53 PolarHBondContact O-NE2 2.85Å; M44-H53 HydrophobicContact CE-CB 3.52Å; M44-H53 WeakPolarHBondContact CE-CD2 3.19Å; M44-H53 HydrophobicContact CG-CB 3.65Å; M44-H53 HydrophobicContact SD-CB 3.42Å; M44-H53 WeakPolarHBondContact SD-CB 3.19Å; M44-H53 VanDerWaalsContact SD-CD2 3.55Å; P45-H53 WeakPolarHBondContact O-CA 3.48Å; K46-H53 HydrophobicContact CG-CB 4.2Å; H53-G55 PolarHBondContact ND1-N 3.37Å; H53-G55 PolarHBondContact O-N 2.88Å; H53-G55 VanDerWaalsContact O-N 3.13Å
54Q88.6Confident89.9Confident109 Ų10964.7 Ų64.751%0.50933%0.329SS..  trans-80.812.1-177.1-61.4-178.711.100114P45 Y56P45-Q54 PolarHBondContact O-N 2.92Å; P45-Q54 VanDerWaalsContact O-N 3.11Å; Q54-Y56 VanDerWaalsContact C-N 3.35Å; Q54-Y56 HydrophobicContact CB-CD1 3.82Å; Q54-Y56 HydrophobicContact CB-CE1 3.47Å; Q54-Y56 VanDerWaalsContact CB-CE1 3.47Å; Q54-Y56 HydrophobicContact CG-CE1 4.44Å; Q54-Y56 PolarHBondContact OE1-OH 3.07Å
55G91.9Very high90Very high19 Ų1972.5 Ų72.520%0.19637%0.366CS..SBendtrans83.313.1178.500000113.7G19 L20 H53G19-G55 PolarHBondContact N-O 2.77Å; G19-G55 VanDerWaalsContact N-O 3.11Å; L20-G55 PolarHBondContact N-O 2.88Å; H53-G55 PolarHBondContact ND1-N 3.37Å; H53-G55 PolarHBondContact O-N 2.88Å; H53-G55 VanDerWaalsContact O-N 3.13Å
56Y93.6Very high90.2Very high57 Ų5773.6 Ų73.622%0.22437%0.371CS..EExtended strand (participates in β ladder)trans-146.1164.4173.772.8-85000111.7Y16 V17 P45 Q54 F58Y16-Y56 HydrophobicContact CD2-CD2 4.09Å; Y16-Y56 AromaticContact CE2-CD2 3.49Å; Y16-Y56 HydrophobicContact CE2-CD2 3.49Å; Y16-Y56 VanDerWaalsContact CE2-CD2 3.49Å; Y16-Y56 HydrophobicContact CE2-CE2 4.35Å; Y16-Y56 AromaticContact CE2-CG 3.69Å; Y16-Y56 HydrophobicContact CE2-CG 3.69Å; Y16-Y56 WeakPolarHBondContact OH-CB 3.38Å; V17-Y56 CarbonylContact O-C 3.51Å; V17-Y56 WeakPolarHBondContact O-CA 3.3Å; V17-Y56 WeakPolarHBondContact O-CB 3.39Å; P45-Y56 HydrophobicContact CB-CE2 4.48Å; P45-Y56 HydrophobicContact CG-CE2 3.8Å; Q54-Y56 VanDerWaalsContact C-N 3.35Å; Q54-Y56 HydrophobicContact CB-CD1 3.82Å; Q54-Y56 HydrophobicContact CB-CE1 3.47Å; Q54-Y56 VanDerWaalsContact CB-CE1 3.47Å; Q54-Y56 HydrophobicContact CG-CE1 4.44Å; Q54-Y56 PolarHBondContact OE1-OH 3.07Å; Y56-F58 HydrophobicContact CD2-CE2 4.07Å; Y56-F58 HydrophobicContact CD2-CZ 4.28Å; Y56-F58 AromaticContact CE2-CE2 3.61Å; Y56-F58 HydrophobicContact CE2-CE2 3.61Å; Y56-F58 AromaticContact CE2-CZ 3.93Å; Y56-F58 HydrophobicContact CE2-CZ 3.93Å
57G94.4Very high90.5Very high0 Ų068.5 Ų68.50%035%0.349CS..EExtended strand (participates in β ladder)trans-152.7173.8175.200000111.5V17 H43V17-G57 PolarHBondContact N-O 3.13Å; V17-G57 PolarHBondContact O-N 3.19Å; H43-G57 CarbonylContact O-C 3.57Å; H43-G57 WeakPolarHBondContact O-CA 3.37Å
58F95.1Very high90.9Very high51 Ų5168.2 Ų68.222%0.22435%0.347CS..EExtended strand (participates in β ladder)trans-121.6137175-60-84.1000109.4T14 I15 Y16 V42 H43 P45 Y56 A89T14-F58 HydrophobicContact CG2-CB 4.05Å; T14-F58 HydrophobicContact CG2-CD1 4.32Å; I15-F58 VanDerWaalsContact O-CA 3.28Å; I15-F58 WeakPolarHBondContact O-CA 3.26Å; Y16-F58 AromaticContact CD2-CE1 3.92Å; Y16-F58 HydrophobicContact CD2-CE1 3.92Å; Y16-F58 HydrophobicContact CD2-CZ 4.26Å; V42-F58 WeakPolarHBondContact CA-O 3.18Å; H43-F58 PolarHBondContact N-O 3.14Å; H43-F58 PolarHBondContact O-N 2.73Å; P45-F58 HydrophobicContact CG-CD2 4.49Å; P45-F58 HydrophobicContact CG-CE2 4.25Å; Y56-F58 HydrophobicContact CD2-CE2 4.07Å; Y56-F58 HydrophobicContact CD2-CZ 4.28Å; Y56-F58 AromaticContact CE2-CE2 3.61Å; Y56-F58 HydrophobicContact CE2-CE2 3.61Å; Y56-F58 AromaticContact CE2-CZ 3.93Å; Y56-F58 HydrophobicContact CE2-CZ 3.93Å; F58-A89 HydrophobicContact CD1-CB 4.07Å; F58-A89 HydrophobicContact CE1-CB 4.27Å
59V96.1Very high91.7Very high0 Ų063 Ų630%033%0.328CS..EExtended strand (participates in β ladder)trans-124.3122.3176.1-176.60000107.4T14 I15 V17 F33 V39 V42 F61T14-V59 WeakPolarHBondContact CA-O 3.1Å; I15-V59 HydrophobicContact CD1-CB 4Å; I15-V59 HydrophobicContact CD1-CG2 4.49Å; I15-V59 HydrophobicContact CG1-CB 3.68Å; I15-V59 HydrophobicContact CG1-CG2 4.45Å; I15-V59 WeakPolarHBondContact CG1-O 3.44Å; I15-V59 PolarHBondContact N-O 2.76Å; I15-V59 PolarHBondContact O-N 2.99Å; V17-V59 HydrophobicContact CG2-CG2 3.93Å; F33-V59 HydrophobicContact CB-CG1 4Å; F33-V59 HydrophobicContact CD2-CG1 4.48Å; F33-V59 HydrophobicContact CD2-CG2 3.84Å; F33-V59 HydrophobicContact CE2-CG2 4.18Å; F33-V59 HydrophobicContact CG-CG1 4.23Å; F33-V59 HydrophobicContact CG-CG2 4.37Å; V39-V59 HydrophobicContact CG1-CG1 3.76Å; V39-V59 HydrophobicContact CG2-CG1 4.17Å; V42-V59 HydrophobicContact CG1-CG2 4.49Å; V42-V59 HydrophobicContact CG2-CG1 4.17Å; V42-V59 HydrophobicContact CG2-CG2 4.22Å; V59-F61 HydrophobicContact CG1-CE2 4.11Å; V59-F61 HydrophobicContact CG1-CZ 4.32Å
60E95.6Very high92.3Very high28 Ų2855.5 Ų55.513%0.13129%0.29CS..EExtended strand (participates in β ladder)trans-101.3123.4178.2-175.9174.9-155.500108.9N10 V40 S41N10-E60 PolarHBondContact N-OE1 2.56Å; V40-E60 HydrophobicContact CB-CB 4.48Å; V40-E60 HydrophobicContact CB-CG 4.21Å; V40-E60 PolarHBondContact N-O 3.01Å; S41-E60 PolarHBondContact N-O 3.32Å; S41-E60 PolarHBondContact O-N 2.81Å; S41-E60 WeakPolarHBondContact OG-CB 3.42Å; S41-E60 PolarHBondContact OG-OE2 3.28Å
61F96.7Very high92.8Very high3 Ų354.1 Ų54.11%0.01328%0.277CS..EExtended strand (participates in β ladder)trans-92163.4173.7-72.9-85.8000111.2A13 I15 F33 A36 P38 V39 V59 G63 D66 A67 A70A13-F61 WeakPolarHBondContact CB-O 3.47Å; A13-F61 PolarHBondContact O-N 3.12Å; I15-F61 HydrophobicContact CD1-CE2 3.66Å; I15-F61 HydrophobicContact CD1-CZ 4.39Å; I15-F61 HydrophobicContact CG1-CD2 4.49Å; I15-F61 HydrophobicContact CG1-CE2 3.93Å; I15-F61 HydrophobicContact CG2-CD2 4.48Å; I15-F61 HydrophobicContact CG2-CE2 4.3Å; F33-F61 HydrophobicContact CB-CE1 4.47Å; F33-F61 HydrophobicContact CB-CZ 3.93Å; F33-F61 HydrophobicContact CD1-CE2 4.39Å; F33-F61 AromaticContact CD1-CZ 3.87Å; F33-F61 HydrophobicContact CD1-CZ 3.87Å; F33-F61 HydrophobicContact CG-CZ 4.28Å; A36-F61 HydrophobicContact CB-CE1 4.26Å; A36-F61 HydrophobicContact CB-CZ 4.25Å; P38-F61 WeakPolarHBondContact O-CA 3.21Å; V39-F61 HydrophobicContact CG2-CD1 4.27Å; V39-F61 HydrophobicContact CG2-CE1 3.92Å; V59-F61 HydrophobicContact CG1-CE2 4.11Å; V59-F61 HydrophobicContact CG1-CZ 4.32Å; F61-G63 WeakPolarHBondContact CB-O 3.29Å; F61-D66 HydrophobicContact CB-CB 3.88Å; F61-D66 HydrophobicContact CD1-CB 3.71Å; F61-D66 HydrophobicContact CE1-CB 4.47Å; F61-D66 HydrophobicContact CG-CB 3.9Å; F61-A67 HydrophobicContact CB-CB 4.43Å; F61-A67 HydrophobicContact CD2-CB 3.86Å; F61-A67 HydrophobicContact CG-CB 4.46Å; F61-A70 HydrophobicContact CE1-CB 4.45Å; F61-A70 HydrophobicContact CE2-CB 3.63Å; F61-A70 HydrophobicContact CZ-CB 3.5Å
62M93.6Very high93.4Very high146 Ų14657.5 Ų57.572%0.71928%0.28SS*.SBendtrans-69.2-36.6173.5-171.7172175.400111.7P38 V40P38-M62 HydrophobicContact CB-CB 4.05Å; P38-M62 HydrophobicContact CB-SD 4.47Å; P38-M62 PolarHBondContact O-N 3.47Å; V40-M62 HydrophobicContact CG2-CB 4.06Å
63G92.9Very high93.9Very high23 Ų2357.6 Ų57.624%0.23728%0.281CS..SBendtrans-119.3153.417700000113.6F61 E65 D66 A67F61-G63 WeakPolarHBondContact CB-O 3.29Å; G63-E65 VanDerWaalsContact C-N 3.33Å; G63-D66 PolarHBondContact N-OD2 3.37Å; G63-D66 PolarHBondContact O-N 2.77Å; G63-A67 PolarHBondContact O-N 3.38Å
64E94Very high94.1Very high87 Ų8757.4 Ų57.441%0.40728%0.28SS..Hα-helixtrans-64.9-37.9170.3175.8173.9-161.900111.5D12 D66 A67 D68 K88D12-E64 HydrophobicContact CB-CG 4.25Å; E64-D66 VanDerWaalsContact C-N 3.27Å; E64-D66 PolarHBondContact O-N 2.85Å; E64-A67 WeakPolarHBondContact O-CB 3.32Å; E64-A67 PolarHBondContact O-N 2.83Å; E64-A67 VanDerWaalsContact O-N 3.08Å; E64-D68 PolarHBondContact O-N 2.96Å; E64-K88 IonicContact OE1-NZ 3.95Å; E64-K88 PolarHBondContact OE1-NZ 2.84Å
65E94.9Very high94.3Very high169 Ų16953.1 Ų53.179%0.7926%0.261SS*.Hα-helixtrans-60.4-37.3178.5-61.8-178.197.900112G63 Y69G63-E65 VanDerWaalsContact C-N 3.33Å; E65-Y69 VanDerWaalsContact O-CB 3.27Å; E65-Y69 WeakPolarHBondContact O-CB 3.49Å; E65-Y69 PolarHBondContact O-N 3.44Å
66D95.7Very high94.3Very high45 Ų4552.4 Ų52.424%0.24125%0.253CS..Hα-helixtrans-67.2-39.2175.6-59.6-48.8000111.4F61 G63 E64 Y69 A70F61-D66 HydrophobicContact CB-CB 3.88Å; F61-D66 HydrophobicContact CD1-CB 3.71Å; F61-D66 HydrophobicContact CE1-CB 4.47Å; F61-D66 HydrophobicContact CG-CB 3.9Å; G63-D66 PolarHBondContact N-OD2 3.37Å; G63-D66 PolarHBondContact O-N 2.77Å; E64-D66 VanDerWaalsContact C-N 3.27Å; E64-D66 PolarHBondContact O-N 2.85Å; D66-Y69 PolarHBondContact O-N 3.18Å; D66-A70 VanDerWaalsContact O-CB 3.28Å; D66-A70 WeakPolarHBondContact O-CB 3.4Å; D66-A70 PolarHBondContact O-N 3.32Å
67A95.1Very high94.3Very high1 Ų152.1 Ų52.11%0.00825%0.254CS..Hα-helixtrans-64.7-46.6176.200000111.5I15 F61 G63 E64 Y69 A70 I71I15-A67 HydrophobicContact CG2-CB 3.77Å; F61-A67 HydrophobicContact CB-CB 4.43Å; F61-A67 HydrophobicContact CD2-CB 3.86Å; F61-A67 HydrophobicContact CG-CB 4.46Å; G63-A67 PolarHBondContact O-N 3.38Å; E64-A67 WeakPolarHBondContact O-CB 3.32Å; E64-A67 PolarHBondContact O-N 2.83Å; E64-A67 VanDerWaalsContact O-N 3.08Å; A67-Y69 VanDerWaalsContact C-N 3.33Å; A67-Y69 PolarHBondContact O-N 3.08Å; A67-A70 PolarHBondContact O-N 3.03Å; A67-I71 VanDerWaalsContact O-CG1 3.28Å; A67-I71 WeakPolarHBondContact O-CG1 3.45Å; A67-I71 PolarHBondContact O-N 2.99Å
68D94Very high94.2Very high59 Ų5956.4 Ų56.432%0.31627%0.273SS..Hα-helixtrans-64.1-38.2175.9-78.8-29000112.2E64 I71 K72E64-D68 PolarHBondContact O-N 2.96Å; D68-I71 PolarHBondContact O-N 2.94Å; D68-K72 WeakPolarHBondContact O-CG 3.35Å; D68-K72 PolarHBondContact O-N 2.69Å
69Y95.7Very high94.1Very high124 Ų12455.3 Ų55.349%0.48627%0.269SS..Hα-helixtrans-63.6-46.5173.4-179.7-104.8000111.5A36 E65 D66 A67 I71 K72 V73A36-Y69 HydrophobicContact CB-CD1 4.1Å; A36-Y69 HydrophobicContact CB-CE1 4.38Å; A36-Y69 WeakPolarHBondContact O-CD1 3.07Å; E65-Y69 VanDerWaalsContact O-CB 3.27Å; E65-Y69 WeakPolarHBondContact O-CB 3.49Å; E65-Y69 PolarHBondContact O-N 3.44Å; D66-Y69 PolarHBondContact O-N 3.18Å; A67-Y69 VanDerWaalsContact C-N 3.33Å; A67-Y69 PolarHBondContact O-N 3.08Å; Y69-I71 VanDerWaalsContact C-N 3.33Å; Y69-I71 PolarHBondContact O-N 2.69Å; Y69-K72 PolarHBondContact O-N 2.95Å; Y69-K72 VanDerWaalsContact O-N 3.11Å; Y69-V73 HydrophobicContact CD2-CG2 4.04Å; Y69-V73 HydrophobicContact CE1-CG2 4.19Å; Y69-V73 HydrophobicContact CE2-CG2 3.59Å; Y69-V73 PolarHBondContact O-N 3.38Å
70A96.3Very high94Very high0 Ų060.3 Ų60.30%029%0.291CS..Hα-helixtrans-60.2-41.317700000112.1I15 F33 A36 F61 D66 A67 K72 V73 M74I15-A70 HydrophobicContact CD1-CB 4.28Å; F33-A70 HydrophobicContact CD1-CB 4.12Å; F33-A70 HydrophobicContact CE1-CB 4.28Å; A36-A70 HydrophobicContact CB-CB 3.73Å; F61-A70 HydrophobicContact CE1-CB 4.45Å; F61-A70 HydrophobicContact CE2-CB 3.63Å; F61-A70 HydrophobicContact CZ-CB 3.5Å; D66-A70 VanDerWaalsContact O-CB 3.28Å; D66-A70 WeakPolarHBondContact O-CB 3.4Å; D66-A70 PolarHBondContact O-N 3.32Å; A67-A70 PolarHBondContact O-N 3.03Å; A70-K72 VanDerWaalsContact C-N 3.28Å; A70-K72 PolarHBondContact O-N 2.98Å; A70-V73 PolarHBondContact O-N 3.38Å; A70-M74 WeakPolarHBondContact O-CA 3.33Å; A70-M74 WeakPolarHBondContact O-CB 3.37Å; A70-M74 PolarHBondContact O-N 2.8Å
71I93.5Very high93.7Very high33 Ų3361.9 Ų61.917%0.16932%0.315CS..Hα-helixtrans-57.9-42.6174.6-69.5161.3000110.9I15 A67 D68 Y69 N75 V86 K88I15-I71 HydrophobicContact CG2-CD1 3.93Å; I15-I71 HydrophobicContact CG2-CG1 3.76Å; A67-I71 VanDerWaalsContact O-CG1 3.28Å; A67-I71 WeakPolarHBondContact O-CG1 3.45Å; A67-I71 PolarHBondContact O-N 2.99Å; D68-I71 PolarHBondContact O-N 2.94Å; Y69-I71 VanDerWaalsContact C-N 3.33Å; Y69-I71 PolarHBondContact O-N 2.69Å; I71-N75 WeakPolarHBondContact O-CB 3.26Å; I71-V86 HydrophobicContact CB-CG1 4.42Å; I71-V86 HydrophobicContact CG1-CG1 3.92Å; I71-K88 HydrophobicContact CD1-CB 4.05Å
72K91Very high93.4Very high169 Ų16966.1 Ų66.174%0.73533%0.333SS*.Hα-helixtrans-72.5-42.2-177.4-69.4169.2-173.5170.60112.9D68 Y69 A70D68-K72 WeakPolarHBondContact O-CG 3.35Å; D68-K72 PolarHBondContact O-N 2.69Å; Y69-K72 PolarHBondContact O-N 2.95Å; Y69-K72 VanDerWaalsContact O-N 3.11Å; A70-K72 VanDerWaalsContact C-N 3.28Å; A70-K72 PolarHBondContact O-N 2.98Å
73V92.7Very high93.4Very high68 Ų6860.3 Ų60.341%0.41231%0.307SS..Hα-helixtrans-94.7-34.2-169.4-179.50000112.9Y69 A70Y69-V73 HydrophobicContact CD2-CG2 4.04Å; Y69-V73 HydrophobicContact CE1-CG2 4.19Å; Y69-V73 HydrophobicContact CE2-CG2 3.59Å; Y69-V73 PolarHBondContact O-N 3.38Å; A70-V73 PolarHBondContact O-N 3.38Å
74M94.2Very high93.5Very high15 Ų1559.2 Ų59.27%0.07430%0.295CS..Hα-helixtrans-93.7-9.6-174.3-58.5-62.7-162.200114.1L32 F33 Q35 A36 A70 I77 V86L32-M74 HydrophobicContact CD1-SD 4.46Å; L32-M74 VanDerWaalsContact O-CE 3.29Å; L32-M74 WeakPolarHBondContact O-CE 3.06Å; F33-M74 HydrophobicContact CD1-CB 4.34Å; F33-M74 HydrophobicContact CD1-CG 4.09Å; F33-M74 HydrophobicContact CE1-CB 3.65Å; F33-M74 HydrophobicContact CE1-CG 3.91Å; F33-M74 HydrophobicContact CZ-CB 4.28Å; Q35-M74 HydrophobicContact CB-CE 3.72Å; A36-M74 HydrophobicContact CB-CE 3.93Å; A36-M74 HydrophobicContact CB-CG 4.29Å; A70-M74 WeakPolarHBondContact O-CA 3.33Å; A70-M74 WeakPolarHBondContact O-CB 3.37Å; A70-M74 PolarHBondContact O-N 2.8Å; M74-I77 HydrophobicContact CB-CD1 4.27Å; M74-I77 WeakPolarHBondContact O-CG1 3.3Å; M74-I77 PolarHBondContact O-N 3.48Å; M74-I77 HydrophobicContact SD-CD1 3.44Å; M74-I77 WeakPolarHBondContact SD-CD1 3.41Å; M74-V86 HydrophobicContact CB-CG2 4.33Å
75N93.4Very high93.4Very high19 Ų1958.4 Ų58.410%0.10229%0.289CS..THydrogen-bonded Turntrans-64.5141.8176-169.838.7000110.9I71 I77 R85 V86 Y117I71-N75 WeakPolarHBondContact O-CB 3.26Å; N75-I77 PolarHBondContact O-N 3.3Å; N75-R85 WeakPolarHBondContact OD1-CA 3.48Å; N75-V86 HydrophobicContact CB-CB 4.22Å; N75-V86 PolarHBondContact OD1-N 2.97Å; N75-Y117 WeakPolarHBondContact ND2-CE1 3.24Å; N75-Y117 PolarHBondContact ND2-OH 3.05Å
76M92.4Very high93.4Very high4 Ų450.4 Ų50.42%0.0225%0.251CS..THydrogen-bonded Turntrans68.46.2-179-57.8-66-62.200116.4P83 I84 E113 K114 Y117 V129M76-P83 HydrophobicContact CE-CB 4.17Å; M76-I84 VanDerWaalsContact CA-O 3.3Å; M76-I84 WeakPolarHBondContact CA-O 3.27Å; M76-I84 PolarHBondContact N-O 3.27Å; M76-E113 HydrophobicContact CE-CB 3.9Å; M76-E113 WeakPolarHBondContact CE-O 3.14Å; M76-K114 HydrophobicContact CB-CB 4.02Å; M76-K114 HydrophobicContact CB-CG 3.96Å; M76-Y117 HydrophobicContact CE-CG 4.46Å; M76-Y117 HydrophobicContact CG-CD1 3.91Å; M76-Y117 HydrophobicContact CG-CD2 4.25Å; M76-Y117 HydrophobicContact CG-CE1 4.48Å; M76-Y117 HydrophobicContact CG-CG 3.79Å; M76-Y117 HydrophobicContact SD-CD2 4.12Å; M76-Y117 HydrophobicContact SD-CG 4.19Å; M76-V129 HydrophobicContact CE-CB 4.21Å; M76-V129 HydrophobicContact CE-CG1 3.54Å; M76-V129 HydrophobicContact CE-CG2 4.29Å; M76-V129 HydrophobicContact SD-CB 4.36Å; M76-V129 HydrophobicContact SD-CG1 4.25Å; M76-V129 HydrophobicContact SD-CG2 3.87Å
77I93.2Very high93.2Very high51 Ų5150.8 Ų50.826%0.26225%0.253SS..  trans-65.4138.1172.3-67.5-177.1000110.4M74 N75 P83 I84M74-I77 HydrophobicContact CB-CD1 4.27Å; M74-I77 WeakPolarHBondContact O-CG1 3.3Å; M74-I77 PolarHBondContact O-N 3.48Å; M74-I77 HydrophobicContact SD-CD1 3.44Å; M74-I77 WeakPolarHBondContact SD-CD1 3.41Å; N75-I77 PolarHBondContact O-N 3.3Å; I77-P83 CarbonylContact O-C 3.57Å; I77-P83 WeakPolarHBondContact O-CA 3.42Å; I77-I84 HydrophobicContact CB-CD1 4.41Å; I77-I84 HydrophobicContact CB-CG1 4.42Å; I77-I84 WeakPolarHBondContact O-CG1 3.49Å; I77-I84 PolarHBondContact O-N 3.12Å
78K92.5Very high93Very high89 Ų8953.1 Ų53.139%0.38726%0.263SS..EExtended strand (participates in β ladder)trans-82.5120.6178.2-69.5177.6178.5171.20111K82 P83 E113K78-K82 CarbonylContact C-O 3.57Å; K78-K82 WeakPolarHBondContact CA-O 3.46Å; K78-P83 HydrophobicContact CG-CB 4.44Å; K78-E113 WeakPolarHBondContact CE-OE2 3.48Å; K78-E113 IonicContact NZ-OE2 2.8Å; K78-E113 PolarHBondContact NZ-OE2 3.03Å
79L93.4Very high92.7Very high28 Ų2851.3 Ų51.315%0.14726%0.256CS..EExtended strand (participates in β ladder)trans-115.9120170.7-164.863.1000108.6V24 L29 G81 K82 I84V24-L79 HydrophobicContact CB-CD2 4.3Å; V24-L79 HydrophobicContact CG1-CD2 3.73Å; V24-L79 HydrophobicContact CG2-CD2 3.49Å; V24-L79 VanDerWaalsContact CG2-CD2 3.49Å; V24-L79 HydrophobicContact CG2-CG 3.86Å; L29-L79 HydrophobicContact CD2-CD2 4.27Å; L79-G81 PolarHBondContact O-N 3.15Å; L79-K82 PolarHBondContact N-O 3.42Å; L79-K82 PolarHBondContact O-N 2.86Å; L79-I84 HydrophobicContact CB-CG2 3.76Å; L79-I84 HydrophobicContact CD2-CG2 4.49Å
80F93.4Very high92Very high105 Ų10548.5 Ų48.546%0.46126%0.259SS..THydrogen-bonded Turntrans50.237-169.5-59-80.5000113.7D21 K23 V24 K82D21-F80 HydrophobicContact CB-CB 3.87Å; D21-F80 HydrophobicContact CB-CD2 4.5Å; K23-F80 HydrophobicContact CB-CD1 4.19Å; K23-F80 HydrophobicContact CB-CD2 4.22Å; K23-F80 HydrophobicContact CB-CE1 4.23Å; K23-F80 HydrophobicContact CB-CE2 4.28Å; K23-F80 HydrophobicContact CB-CG 4.18Å; K23-F80 HydrophobicContact CB-CZ 4.28Å; K23-F80 HydrophobicContact CD-CD1 4.28Å; V24-F80 HydrophobicContact CB-CE2 4.46Å; V24-F80 HydrophobicContact CG2-CD2 3.51Å; V24-F80 HydrophobicContact CG2-CE2 3.77Å; F80-K82 VanDerWaalsContact C-N 3.27Å; F80-K82 PolarHBondContact O-N 3.19Å
81G89.8Confident90.8Very high61 Ų6151.2 Ų51.263%0.62928%0.281SS*.THydrogen-bonded Turntrans82.2-7.1178.900000115.2L79L79-G81 PolarHBondContact O-N 3.15Å
82K90.6Very high89.2Confident93 Ų9356.1 Ų56.140%0.40430%0.303SS..EExtended strand (participates in β ladder)trans-99.2128.2174.7-72.6-177.1179.6152.80111.1D21 K78 L79 F80 I84D21-K82 HydrophobicContact CB-CD 3.98Å; D21-K82 WeakPolarHBondContact OD2-CD 3.34Å; D21-K82 VanDerWaalsContact OD2-CE 3.23Å; D21-K82 WeakPolarHBondContact OD2-CE 3.19Å; D21-K82 IonicContact OD2-NZ 2.67Å; D21-K82 PolarHBondContact OD2-NZ 3.4Å; K78-K82 CarbonylContact C-O 3.57Å; K78-K82 WeakPolarHBondContact CA-O 3.46Å; L79-K82 PolarHBondContact N-O 3.42Å; L79-K82 PolarHBondContact O-N 2.86Å; F80-K82 VanDerWaalsContact C-N 3.27Å; F80-K82 PolarHBondContact O-N 3.19Å; K82-I84 PolarHBondContact O-N 3.18Å
83P92.6Very high87.6Confident24 Ų2453.1 Ų53.116%0.15629%0.292CS..EExtended strand (participates in β ladder)trans-68.2124.917427.1-32.1000110.4M76 I77 K78 V129M76-P83 HydrophobicContact CE-CB 4.17Å; I77-P83 CarbonylContact O-C 3.57Å; I77-P83 WeakPolarHBondContact O-CA 3.42Å; K78-P83 HydrophobicContact CG-CB 4.44Å; P83-V129 HydrophobicContact CB-CG1 4.07Å; P83-V129 HydrophobicContact CG-CB 4.39Å; P83-V129 HydrophobicContact CG-CG1 3.33Å; P83-V129 HydrophobicContact CG-CG2 4.25Å
84I94.6Very high86.2Confident0 Ų058.2 Ų58.20%031%0.308CS..PPolyproline II helixtrans-80.1150.817772.2-178.7000110.5V17 G18 L20 L32 F33 M76 I77 L79 K82 V86V17-I84 HydrophobicContact CG1-CB 4.27Å; V17-I84 HydrophobicContact CG1-CD1 4.25Å; G18-I84 WeakPolarHBondContact O-CA 3.33Å; L20-I84 HydrophobicContact CD2-CB 4.44Å; L20-I84 HydrophobicContact CD2-CG2 3.81Å; L32-I84 HydrophobicContact CD2-CD1 3.67Å; F33-I84 HydrophobicContact CZ-CD1 4.21Å; M76-I84 VanDerWaalsContact CA-O 3.3Å; M76-I84 WeakPolarHBondContact CA-O 3.27Å; M76-I84 PolarHBondContact N-O 3.27Å; I77-I84 HydrophobicContact CB-CD1 4.41Å; I77-I84 HydrophobicContact CB-CG1 4.42Å; I77-I84 WeakPolarHBondContact O-CG1 3.49Å; I77-I84 PolarHBondContact O-N 3.12Å; L79-I84 HydrophobicContact CB-CG2 3.76Å; L79-I84 HydrophobicContact CD2-CG2 4.49Å; K82-I84 PolarHBondContact O-N 3.18Å; I84-V86 HydrophobicContact CD1-CG2 4.15Å; I84-V86 HydrophobicContact CG1-CG2 4.16Å
85R92.5Very high84.9Confident70 Ų7060.2 Ų60.226%0.26432%0.32SS..EExtended strand (participates in β ladder)trans-110.4124.2175.2-63.6-175.568.5-178.63109.5V17 G18 N75 N95 L127 V129V17-R85 CarbonylContact C-O 3.44Å; V17-R85 VanDerWaalsContact CA-O 3.28Å; V17-R85 WeakPolarHBondContact CA-O 3.47Å; G18-R85 PolarHBondContact N-O 2.74Å; G18-R85 PolarHBondContact O-N 3.07Å; N75-R85 WeakPolarHBondContact OD1-CA 3.48Å; R85-N95 PolarHBondContact NH2-ND2 2.63Å; R85-L127 PolarHBondContact NH1-O 3.19Å; R85-L127 PolarHBondContact NH2-O 2.82Å; R85-V129 HydrophobicContact CG-CG2 3.76Å
86V93.9Very high83.7Confident0 Ų064.1 Ų64.10%034%0.34CS..EExtended strand (participates in β ladder)trans-116.7124.8-179.8-170.20000109.3I15 Y16 V17 F33 I71 M74 N75 I84I15-V86 HydrophobicContact CB-CG1 4.11Å; I15-V86 HydrophobicContact CD1-CG1 3.54Å; I15-V86 HydrophobicContact CG1-CG1 4.35Å; Y16-V86 WeakPolarHBondContact O-CA 3.23Å; V17-V86 HydrophobicContact CG1-CG2 4.45Å; F33-V86 HydrophobicContact CE1-CG1 4.24Å; F33-V86 HydrophobicContact CE1-CG2 4.16Å; F33-V86 HydrophobicContact CZ-CG1 4.41Å; F33-V86 HydrophobicContact CZ-CG2 3.81Å; I71-V86 HydrophobicContact CB-CG1 4.42Å; I71-V86 HydrophobicContact CG1-CG1 3.92Å; M74-V86 HydrophobicContact CB-CG2 4.33Å; N75-V86 HydrophobicContact CB-CB 4.22Å; N75-V86 PolarHBondContact OD1-N 2.97Å; I84-V86 HydrophobicContact CD1-CG2 4.15Å; I84-V86 HydrophobicContact CG1-CG2 4.16Å
87N91.9Very high82.9Confident53 Ų5368.1 Ų68.128%0.28336%0.361SS..EExtended strand (participates in β ladder)trans-142.9164.4178.7-66.1-81.7000110.1I15 Y16I15-N87 CarbonylContact C-O 3.6Å; I15-N87 WeakPolarHBondContact CA-O 3.42Å; Y16-N87 PolarHBondContact N-O 3.31Å; Y16-N87 PolarHBondContact O-N 3.33Å
88K91.6Very high82.5Confident50 Ų5067.2 Ų67.222%0.21736%0.357CS..EExtended strand (participates in β ladder)trans-62.4136.8171.2-158.4160.1-171.4170.30109.6D12 E64 I71 A90 A91D12-K88 VanDerWaalsContact CA-CE 3.46Å; D12-K88 WeakPolarHBondContact O-CE 3.47Å; D12-K88 VanDerWaalsContact OD1-CE 3.23Å; D12-K88 WeakPolarHBondContact OD1-CE 3.35Å; D12-K88 IonicContact OD1-NZ 3.8Å; D12-K88 PolarHBondContact OD1-NZ 3.04Å; D12-K88 VanDerWaalsContact OD1-NZ 3.1Å; E64-K88 IonicContact OE1-NZ 3.95Å; E64-K88 PolarHBondContact OE1-NZ 2.84Å; I71-K88 HydrophobicContact CD1-CB 4.05Å; K88-A90 PolarHBondContact O-N 2.9Å; K88-A91 HydrophobicContact CB-CB 4.31Å; K88-A91 WeakPolarHBondContact O-CB 3.13Å; K88-A91 PolarHBondContact O-N 2.83Å
89A88.1Confident82.1Confident21 Ų2163.2 Ų63.217%0.17434%0.341CS..G310 helixtrans-61.8-32.5-173.900000113T14 F58 A91T14-A89 HydrophobicContact CG2-CB 3.76Å; T14-A89 WeakPolarHBondContact O-CB 3.49Å; T14-A89 PolarHBondContact O-N 3.22Å; F58-A89 HydrophobicContact CD1-CB 4.07Å; F58-A89 HydrophobicContact CE1-CB 4.27Å; A89-A91 PolarHBondContact O-N 3.4Å
90A80.3Confident81.9Confident66 Ų6661.9 Ų61.955%0.54533%0.334SS..G310 helixtrans-67.1-22.3175.300000113.5K88 H92K88-A90 PolarHBondContact O-N 2.9Å; A90-H92 PolarHBondContact O-N 2.81Å
91A71Confident81.9Confident57 Ų5757.6 Ų57.647%0.47132%0.316SS..G310 helixtrans-86.927.6-173.200000113.5K88 A89 Q93K88-A91 HydrophobicContact CB-CB 4.31Å; K88-A91 WeakPolarHBondContact O-CB 3.13Å; K88-A91 PolarHBondContact O-N 2.83Å; A89-A91 PolarHBondContact O-N 3.4Å; A91-Q93 PolarHBondContact O-N 3.26Å
92H59.3Low82.2Confident135 Ų13554.7 Ų54.763%0.62529%0.286SS*.  trans-70.572177.9-16573.5000111.4A90A90-H92 PolarHBondContact O-N 2.81Å
93Q58.1Low82.5Confident107 Ų10752.9 Ų52.950%0.528%0.278SS..  trans-85.3132.1175.1-149.981.9-9.300108.4A91 N95 I201A91-Q93 PolarHBondContact O-N 3.26Å; Q93-N95 PolarHBondContact O-N 3.41Å; Q93-N95 PolarHBondContact O-OD1 3.35Å; Q93-I201 HydrophobicContact CG-CG2 4.27Å
94K62.4Low82.7Confident174 Ų17451.7 Ų51.776%0.75727%0.27SS*.  trans-67.7104.6165.3-69.1-178.8-177.7178.30107.4L96K94-L96 PolarHBondContact O-N 3.17Å
95N67Low82.9Confident58 Ų5852 Ų5231%0.3127%0.274SS..  trans-64.3102.3172.7-68.5-9.8000108.3R85 Q93 L127R85-N95 PolarHBondContact NH2-ND2 2.63Å; Q93-N95 PolarHBondContact O-N 3.41Å; Q93-N95 PolarHBondContact O-OD1 3.35Å; N95-L127 HydrophobicContact CB-CB 4.21Å; N95-L127 HydrophobicContact CB-CD1 4.43Å; N95-L127 HydrophobicContact CB-CD2 4.01Å; N95-L127 HydrophobicContact CB-CG 4.46Å; N95-L127 PolarHBondContact ND2-O 2.8Å
96L69.3Low83Confident100 Ų10052.4 Ų52.452%0.52428%0.281SS..  trans-77.9119.2171.2-77.3130.2000107.9K94 I98 I201K94-L96 PolarHBondContact O-N 3.17Å; L96-I98 PolarHBondContact O-N 2.96Å; L96-I201 HydrophobicContact CB-CD1 4.38Å; L96-I201 HydrophobicContact CD1-CD1 3.39Å; L96-I201 HydrophobicContact CG-CD1 4.49Å
97D76.2Confident83.2Confident88 Ų8852.5 Ų52.547%0.47128%0.281SS..  trans-70.9109169.8-173.9-5.3000108.3G99 N101D97-G99 VanDerWaalsContact C-N 3.27Å; D97-G99 WeakPolarHBondContact OD1-CA 3.39Å; D97-G99 PolarHBondContact OD1-N 2.67Å; D97-N101 PolarHBondContact OD1-ND2 2.87Å; D97-N101 PolarHBondContact OD2-ND2 2.63Å
98I83.9Confident83.3Confident33 Ų3350.6 Ų50.617%0.16927%0.271CS..  trans-86.20.4177.358.8164.1000112.6L96 A100 A150 F152 A196L96-I98 PolarHBondContact O-N 2.96Å; I98-A100 HydrophobicContact CD1-CB 3.83Å; I98-A100 HydrophobicContact CG1-CB 3.78Å; I98-A150 VanDerWaalsContact CD1-O 3.27Å; I98-A150 WeakPolarHBondContact CD1-O 3.36Å; I98-F152 HydrophobicContact CB-CE2 4.48Å; I98-F152 HydrophobicContact CD1-CD2 3.99Å; I98-F152 HydrophobicContact CD1-CE2 3.94Å; I98-F152 HydrophobicContact CG1-CE2 4.28Å; I98-F152 VanDerWaalsContact O-CZ 3.3Å; I98-F152 WeakPolarHBondContact O-CZ 3.35Å; I98-A196 HydrophobicContact CB-CB 4.08Å; I98-A196 HydrophobicContact CD1-CB 3.72Å; I98-A196 HydrophobicContact CG1-CB 4.49Å; I98-A196 HydrophobicContact CG2-CB 4.26Å
99G83.8Confident83.2Confident5 Ų552.1 Ų52.15%0.05229%0.286CS..SBendtrans84.316.5-173.100000113.7D97 N101 F152 H187D97-G99 VanDerWaalsContact C-N 3.27Å; D97-G99 WeakPolarHBondContact OD1-CA 3.39Å; D97-G99 PolarHBondContact OD1-N 2.67Å; G99-N101 PolarHBondContact O-N 3.27Å; G99-F152 WeakPolarHBondContact O-CE1 3.45Å; G99-H187 WeakPolarHBondContact CA-ND1 3.41Å; G99-H187 WeakPolarHBondContact O-CB 3.15Å; G99-H187 PolarHBondContact O-ND1 3.26Å
100A90.1Very high83.4Confident0 Ų058 Ų580%031%0.31CS..  trans-82.156.3173.800000110.7I98 F149 F152 S155I98-A100 HydrophobicContact CD1-CB 3.83Å; I98-A100 HydrophobicContact CG1-CB 3.78Å; A100-F149 HydrophobicContact CB-CB 4.24Å; A100-F149 PolarHBondContact O-N 3.49Å; A100-F152 HydrophobicContact CB-CD1 4.03Å; A100-F152 HydrophobicContact CB-CE1 4.02Å; A100-F152 HydrophobicContact CB-CG 4.32Å; A100-F152 HydrophobicContact CB-CZ 4.33Å; A100-S155 WeakPolarHBondContact CB-OG 3.15Å; A100-S155 PolarHBondContact O-OG 3.47Å
101N93.7Very high84Confident14 Ų1454.9 Ų54.98%0.07528%0.284CS..EExtended strand (participates in β ladder)trans-104.5123.4-172.9-66-34.6000110.6D97 G99 I147 S148 A177 H187D97-N101 PolarHBondContact OD1-ND2 2.87Å; D97-N101 PolarHBondContact OD2-ND2 2.63Å; G99-N101 PolarHBondContact O-N 3.27Å; N101-I147 CarbonylContact C-O 3.59Å; N101-I147 WeakPolarHBondContact CA-O 3.47Å; N101-S148 WeakPolarHBondContact OD1-CA 3.43Å; N101-S148 WeakPolarHBondContact OD1-CB 3.34Å; N101-S148 PolarHBondContact OD1-OG 3.13Å; N101-A177 HydrophobicContact CB-CB 4.14Å; N101-A177 WeakPolarHBondContact O-CB 3.32Å; N101-A177 PolarHBondContact O-N 3.3Å; N101-H187 PolarHBondContact ND2-NE2 3.3Å
102I95.9Very high85Confident0 Ų054.7 Ų54.70%028%0.276CS..EExtended strand (participates in β ladder)trans-105147.4176.263.6160.5000111.3I104 F120 F146 I147 F149 I159 V174 S175I102-I104 HydrophobicContact CD1-CD1 4.15Å; I102-I104 HydrophobicContact CD1-CG1 4.09Å; I102-F120 HydrophobicContact CD1-CD1 3.62Å; I102-F120 HydrophobicContact CD1-CE1 3.46Å; I102-F120 VanDerWaalsContact CD1-CE1 3.46Å; I102-F120 HydrophobicContact CD1-CZ 4.37Å; I102-F146 VanDerWaalsContact O-CA 3.3Å; I102-F146 WeakPolarHBondContact O-CA 3.36Å; I102-I147 HydrophobicContact CD1-CB 4.06Å; I102-I147 HydrophobicContact CG1-CB 3.71Å; I102-I147 HydrophobicContact CG1-CG2 4.49Å; I102-I147 PolarHBondContact N-O 3.39Å; I102-I147 PolarHBondContact O-N 2.88Å; I102-I147 VanDerWaalsContact O-N 3.07Å; I102-F149 HydrophobicContact CD1-CE2 3.73Å; I102-F149 HydrophobicContact CG1-CD2 4.42Å; I102-F149 HydrophobicContact CG1-CE2 4.11Å; I102-F149 HydrophobicContact CG2-CD2 4.49Å; I102-I159 HydrophobicContact CG2-CD1 4.1Å; I102-I159 HydrophobicContact CG2-CG1 4.22Å; I102-V174 HydrophobicContact CD1-CG1 3.89Å; I102-S175 CarbonylContact C-O 3.56Å; I102-S175 WeakPolarHBondContact CA-O 3.28Å
103F96.7Very high86.6Confident55 Ų5549.2 Ų49.224%0.24125%0.25CS..EExtended strand (participates in β ladder)trans-102133.8168.5168.3-90000108.9F144 F146 V174 S175 A177F103-F144 HydrophobicContact CD2-CD2 4.16Å; F103-F144 HydrophobicContact CE2-CB 3.63Å; F103-F144 AromaticContact CE2-CD2 3.47Å; F103-F144 HydrophobicContact CE2-CD2 3.47Å; F103-F144 VanDerWaalsContact CE2-CD2 3.47Å; F103-F144 HydrophobicContact CE2-CE2 4.25Å; F103-F144 AromaticContact CE2-CG 3.78Å; F103-F144 HydrophobicContact CE2-CG 3.78Å; F103-F144 HydrophobicContact CZ-CB 3.77Å; F103-F144 HydrophobicContact CZ-CD2 4.38Å; F103-F144 HydrophobicContact CZ-CG 4.26Å; F103-F146 HydrophobicContact CB-CD1 4.31Å; F103-F146 HydrophobicContact CB-CE1 4.11Å; F103-F146 HydrophobicContact CD2-CD1 4.44Å; F103-F146 AromaticContact CD2-CE1 3.78Å; F103-F146 HydrophobicContact CD2-CE1 3.78Å; F103-F146 AromaticContact CD2-CZ 3.84Å; F103-F146 HydrophobicContact CD2-CZ 3.84Å; F103-F146 HydrophobicContact CE2-CZ 4.5Å; F103-F146 HydrophobicContact CG-CE1 4.45Å; F103-V174 WeakPolarHBondContact O-CA 3.46Å; F103-S175 PolarHBondContact N-O 3.26Å; F103-S175 PolarHBondContact O-N 3.41Å; F103-A177 HydrophobicContact CB-CB 4.19Å
104I97.2Very high88.3Confident0 Ų047.7 Ų47.70%024%0.242CC..EExtended strand (participates in β ladder)trans-119.9116.1174.6-52.7164.1000107.8I102 L107 L116 F120 F144 A145 I147 I172 S173 V174I102-I104 HydrophobicContact CD1-CD1 4.15Å; I102-I104 HydrophobicContact CD1-CG1 4.09Å; I104-L107 HydrophobicContact CB-CD2 4.45Å; I104-L107 HydrophobicContact CG2-CD2 3.52Å; I104-L107 HydrophobicContact CG2-CG 4.13Å; I104-L116 HydrophobicContact CD1-CD2 4.06Å; I104-F120 HydrophobicContact CD1-CD1 4.49Å; I104-F120 HydrophobicContact CD1-CD2 4.05Å; I104-F120 HydrophobicContact CD1-CE1 3.91Å; I104-F120 HydrophobicContact CD1-CE2 3.4Å; I104-F120 HydrophobicContact CD1-CZ 3.31Å; I104-F120 HydrophobicContact CG1-CE1 4.39Å; I104-F120 HydrophobicContact CG1-CE2 4.42Å; I104-F120 HydrophobicContact CG1-CZ 3.9Å; I104-F144 CarbonylContact O-C 3.5Å; I104-F144 WeakPolarHBondContact O-CA 3.42Å; I104-F144 VanDerWaalsContact O-CB 3.23Å; I104-F144 WeakPolarHBondContact O-CB 3.2Å; I104-A145 PolarHBondContact N-O 3.26Å; I104-A145 PolarHBondContact O-N 2.89Å; I104-I147 HydrophobicContact CD1-CD1 3.4Å; I104-I147 HydrophobicContact CD1-CG1 3.79Å; I104-I172 HydrophobicContact CG2-CB 4.03Å; I104-I172 HydrophobicContact CG2-CD1 4.05Å; I104-I172 HydrophobicContact CG2-CG2 4.39Å; I104-S173 CarbonylContact C-O 3.48Å; I104-S173 WeakPolarHBondContact CA-O 3.28Å; I104-V174 HydrophobicContact CG1-CG1 4.42Å; I104-V174 HydrophobicContact CG1-CG2 4.48Å; I104-V174 HydrophobicContact CG2-CG2 4.38Å
105G96.9Very high89.8Confident7 Ų742 Ų427%0.07222%0.219CC..EExtended strand (participates in β ladder)trans-107.216917700000112.9L107 G143 I172 S173G105-L107 VanDerWaalsContact C-N 3.27Å; G105-L107 PolarHBondContact O-N 3.1Å; G105-G143 CarbonylContact C-O 3.49Å; G105-I172 WeakPolarHBondContact O-CA 3.4Å; G105-S173 PolarHBondContact N-O 3.39Å; G105-S173 PolarHBondContact O-N 2.93Å
106N96.5Very high91.2Very high78 Ų7839.2 Ų39.242%0.41721%0.205SC..SBendtrans58.735-179-161.439.4000113.9G143 P171N106-G143 PolarHBondContact N-O 3.15Å; N106-P171 PolarHBondContact ND2-O 2.98Å
107L96.3Very high92.4Very high1 Ų137 Ų371%0.00519%0.19CC..  trans-65139.4174.5-66.6179.2000110.8I104 G105 V111 L116 G143 A145 L167 I172I104-L107 HydrophobicContact CB-CD2 4.45Å; I104-L107 HydrophobicContact CG2-CD2 3.52Å; I104-L107 HydrophobicContact CG2-CG 4.13Å; G105-L107 VanDerWaalsContact C-N 3.27Å; G105-L107 PolarHBondContact O-N 3.1Å; L107-V111 HydrophobicContact CD2-CG1 4.24Å; L107-L116 HydrophobicContact CD1-CD1 4.19Å; L107-L116 HydrophobicContact CD2-CD2 4.1Å; L107-G143 PolarHBondContact N-O 3.05Å; L107-A145 HydrophobicContact CD1-CB 3.51Å; L107-L167 HydrophobicContact CD2-CD2 4.34Å; L107-I172 HydrophobicContact CD2-CG2 3.86Å
108D94Very high93.2Very high13 Ų1336.7 Ų36.77%0.0719%0.188CC..  trans-66.5141167.5-165.2-75.4000110.3E110 V111 C168 R170D108-E110 PolarHBondContact O-N 3.16Å; D108-E110 VanDerWaalsContact O-N 3.12Å; D108-E110 WeakPolarHBondContact OD1-CB 3.42Å; D108-E110 PolarHBondContact OD1-N 3.16Å; D108-V111 HydrophobicContact CB-CG2 4.05Å; D108-V111 WeakPolarHBondContact O-CB 3.3Å; D108-V111 PolarHBondContact O-N 3.03Å; D108-C168 HydrophobicContact CB-CB 4.02Å; D108-R170 HydrophobicContact CB-CB 4.43Å; D108-R170 HydrophobicContact CB-CG 4.21Å; D108-R170 IonicContact OD2-NE 2.69Å
109P91.1Very high93.7Very high82 Ų8236.8 Ų36.853%0.53219%0.19SC..THydrogen-bonded Turntrans-54.6-25176.2-27.335.1000115V111P109-V111 VanDerWaalsContact C-N 3.32Å
110E90.7Very high94.3Very high144 Ų14436.5 Ų36.567%0.67319%0.187SC*.THydrogen-bonded Turntrans-77.3-15.3177.5-62.3-169.3120.500113.4D108 D112D108-E110 PolarHBondContact O-N 3.16Å; D108-E110 VanDerWaalsContact O-N 3.12Å; D108-E110 WeakPolarHBondContact OD1-CB 3.42Å; D108-E110 PolarHBondContact OD1-N 3.16Å; E110-D112 PolarHBondContact O-N 3.36Å
111V93.4Very high94.5Very high1 Ų138.2 Ų38.21%0.00620%0.199CC..  trans-69.8127.4178.6175.10000110.1L107 D108 P109 L115 L116 I132 L167 C168L107-V111 HydrophobicContact CD2-CG1 4.24Å; D108-V111 HydrophobicContact CB-CG2 4.05Å; D108-V111 WeakPolarHBondContact O-CB 3.3Å; D108-V111 PolarHBondContact O-N 3.03Å; P109-V111 VanDerWaalsContact C-N 3.32Å; V111-L115 HydrophobicContact CB-CD2 4.45Å; V111-L115 HydrophobicContact CG1-CD2 4.27Å; V111-L115 HydrophobicContact CG2-CD2 4.1Å; V111-L116 HydrophobicContact CG1-CD1 4.23Å; V111-L116 HydrophobicContact CG1-CD2 3.79Å; V111-L116 HydrophobicContact CG1-CG 3.66Å; V111-I132 VanDerWaalsContact O-CD1 3.28Å; V111-I132 WeakPolarHBondContact O-CD1 3.49Å; V111-L167 HydrophobicContact CG1-CD2 3.99Å; V111-L167 HydrophobicContact CG2-CD2 4Å; V111-L167 HydrophobicContact CG2-CG 4.11Å; V111-C168 HydrophobicContact CG2-CB 4.46Å
112D92.5Very high94.5Very high54 Ų5440.4 Ų40.429%0.28922%0.219SC..  trans-114.2173.7176.278.4-5000113.1E110 K114 L115 L116 I132E110-D112 PolarHBondContact O-N 3.36Å; D112-K114 PolarHBondContact O-N 3Å; D112-K114 PolarHBondContact OD1-N 3.32Å; D112-L115 PolarHBondContact O-N 3.22Å; D112-L115 WeakPolarHBondContact OD1-CB 3.4Å; D112-L115 PolarHBondContact OD1-N 3.03Å; D112-L116 WeakPolarHBondContact O-CG 3.46Å; D112-L116 PolarHBondContact O-N 3.03Å; D112-L116 VanDerWaalsContact O-N 3.14Å; D112-I132 VanDerWaalsContact C-CD1 3.44Å
113E93.5Very high94.5Very high20 Ų2042.7 Ų42.79%0.09323%0.229CC..Hα-helixtrans-63.7-30.7-176-60.278.1-171.300111.8M76 K78 Y117 V129 P130 I132 R134M76-E113 HydrophobicContact CE-CB 3.9Å; M76-E113 WeakPolarHBondContact CE-O 3.14Å; K78-E113 WeakPolarHBondContact CE-OE2 3.48Å; K78-E113 IonicContact NZ-OE2 2.8Å; K78-E113 PolarHBondContact NZ-OE2 3.03Å; E113-Y117 WeakPolarHBondContact O-CB 3.32Å; E113-Y117 PolarHBondContact O-N 3.49Å; E113-V129 HydrophobicContact CB-CG1 4.05Å; E113-V129 HydrophobicContact CG-CG1 4.33Å; E113-P130 WeakPolarHBondContact CG-O 3.27Å; E113-I132 HydrophobicContact CG-CD1 4.1Å; E113-I132 HydrophobicContact CG-CG1 4.17Å; E113-R134 IonicContact OE1-CZ 3.64Å; E113-R134 IonicContact OE1-NE 3.72Å; E113-R134 PolarHBondContact OE1-NE 2.87Å; E113-R134 IonicContact OE1-NH2 3.72Å; E113-R134 PolarHBondContact OE1-NH2 3.08Å; E113-R134 IonicContact OE2-NH2 3.04Å
114K93.2Very high94.3Very high75 Ų7540.8 Ų40.833%0.32623%0.225SC..Hα-helixtrans-71.3-47.6178-178177-174.5-60.30111M76 D112 L116 Y117 D118M76-K114 HydrophobicContact CB-CB 4.02Å; M76-K114 HydrophobicContact CB-CG 3.96Å; D112-K114 PolarHBondContact O-N 3Å; D112-K114 PolarHBondContact OD1-N 3.32Å; K114-L116 VanDerWaalsContact C-N 3.29Å; K114-L116 PolarHBondContact O-N 2.99Å; K114-Y117 WeakPolarHBondContact O-CB 3.29Å; K114-Y117 PolarHBondContact O-N 3.23Å; K114-Y117 VanDerWaalsContact O-N 3.08Å; K114-D118 IonicContact NZ-OD2 3.47Å; K114-D118 PolarHBondContact NZ-OD2 2.94Å; K114-D118 WeakPolarHBondContact O-CB 3.35Å; K114-D118 VanDerWaalsContact O-CG 3.26Å; K114-D118 PolarHBondContact O-N 2.94Å
115L94.1Very high93.9Very high54 Ų5443.8 Ų43.828%0.28324%0.243SC..Hα-helixtrans-59.7-42.3177.4178.261.1000111.4V111 D112 Y117 T119 L167V111-L115 HydrophobicContact CB-CD2 4.45Å; V111-L115 HydrophobicContact CG1-CD2 4.27Å; V111-L115 HydrophobicContact CG2-CD2 4.1Å; D112-L115 PolarHBondContact O-N 3.22Å; D112-L115 WeakPolarHBondContact OD1-CB 3.4Å; D112-L115 PolarHBondContact OD1-N 3.03Å; L115-Y117 VanDerWaalsContact C-N 3.34Å; L115-T119 VanDerWaalsContact O-CB 3.27Å; L115-T119 WeakPolarHBondContact O-CB 3.45Å; L115-T119 PolarHBondContact O-N 2.96Å; L115-T119 PolarHBondContact O-OG1 3.11Å; L115-L167 HydrophobicContact CD2-CD1 4.38Å; L115-L167 HydrophobicContact CD2-CG 4.34Å; L115-L167 HydrophobicContact CG-CD1 4.39Å
116L95.7Very high93.7Very high0 Ų043.7 Ų43.70%024%0.241CC..Hα-helixtrans-61.4-44.1174-72.6177.5000111.5I104 L107 V111 D112 K114 F120 P130 I132 A145 I147 L167I104-L116 HydrophobicContact CD1-CD2 4.06Å; L107-L116 HydrophobicContact CD1-CD1 4.19Å; L107-L116 HydrophobicContact CD2-CD2 4.1Å; V111-L116 HydrophobicContact CG1-CD1 4.23Å; V111-L116 HydrophobicContact CG1-CD2 3.79Å; V111-L116 HydrophobicContact CG1-CG 3.66Å; D112-L116 WeakPolarHBondContact O-CG 3.46Å; D112-L116 PolarHBondContact O-N 3.03Å; D112-L116 VanDerWaalsContact O-N 3.14Å; K114-L116 VanDerWaalsContact C-N 3.29Å; K114-L116 PolarHBondContact O-N 2.99Å; L116-F120 HydrophobicContact CD2-CD2 4.37Å; L116-F120 HydrophobicContact CD2-CE2 4.06Å; L116-F120 WeakPolarHBondContact O-CB 3.33Å; L116-F120 WeakPolarHBondContact O-CD2 3.44Å; L116-F120 PolarHBondContact O-N 3.18Å; L116-P130 HydrophobicContact CB-CB 3.66Å; L116-P130 HydrophobicContact CB-CG 3.84Å; L116-P130 HydrophobicContact CD1-CB 3.92Å; L116-P130 HydrophobicContact CG-CB 4.47Å; L116-I132 HydrophobicContact CD1-CD1 3.9Å; L116-I132 HydrophobicContact CD1-CG1 3.64Å; L116-A145 HydrophobicContact CD1-CB 3.59Å; L116-I147 HydrophobicContact CB-CD1 4.23Å; L116-L167 HydrophobicContact CD2-CD2 3.84Å
117Y94.9Very high93.2Very high54 Ų5440.2 Ų40.221%0.21222%0.223CC..Hα-helixtrans-62.3-50.9178.8-176.6-89000110.8N75 M76 E113 K114 L115 T119 F120 S121 V126N75-Y117 WeakPolarHBondContact ND2-CE1 3.24Å; N75-Y117 PolarHBondContact ND2-OH 3.05Å; M76-Y117 HydrophobicContact CE-CG 4.46Å; M76-Y117 HydrophobicContact CG-CD1 3.91Å; M76-Y117 HydrophobicContact CG-CD2 4.25Å; M76-Y117 HydrophobicContact CG-CE1 4.48Å; M76-Y117 HydrophobicContact CG-CG 3.79Å; M76-Y117 HydrophobicContact SD-CD2 4.12Å; M76-Y117 HydrophobicContact SD-CG 4.19Å; E113-Y117 WeakPolarHBondContact O-CB 3.32Å; E113-Y117 PolarHBondContact O-N 3.49Å; K114-Y117 WeakPolarHBondContact O-CB 3.29Å; K114-Y117 PolarHBondContact O-N 3.23Å; K114-Y117 VanDerWaalsContact O-N 3.08Å; L115-Y117 VanDerWaalsContact C-N 3.34Å; Y117-T119 VanDerWaalsContact C-N 3.32Å; Y117-T119 PolarHBondContact O-N 2.9Å; Y117-F120 PolarHBondContact O-N 3.44Å; Y117-S121 WeakPolarHBondContact CE1-OG 3.3Å; Y117-S121 WeakPolarHBondContact O-CB 3.12Å; Y117-S121 PolarHBondContact O-N 2.98Å; Y117-S121 PolarHBondContact O-OG 3.41Å; Y117-V126 HydrophobicContact CD2-CB 4.02Å; Y117-V126 HydrophobicContact CD2-CG1 3.86Å; Y117-V126 HydrophobicContact CE2-CB 3.82Å; Y117-V126 HydrophobicContact CE2-CG1 4.01Å
118D93.3Very high92.7Very high81 Ų8145 Ų4543%0.43325%0.245SC..Hα-helixtrans-60.6-42.3-178.4-66.3-15.4000111.3K114K114-D118 IonicContact NZ-OD2 3.47Å; K114-D118 PolarHBondContact NZ-OD2 2.94Å; K114-D118 WeakPolarHBondContact O-CB 3.35Å; K114-D118 VanDerWaalsContact O-CG 3.26Å; K114-D118 PolarHBondContact O-N 2.94Å
119T95.1Very high92.6Very high34 Ų3446.1 Ų46.121%0.20925%0.252CS..Hα-helixtrans-68.7-48.8-179.8-54.10000111.9L115 Y117 A122 M162 L167L115-T119 VanDerWaalsContact O-CB 3.27Å; L115-T119 WeakPolarHBondContact O-CB 3.45Å; L115-T119 PolarHBondContact O-N 2.96Å; L115-T119 PolarHBondContact O-OG1 3.11Å; Y117-T119 VanDerWaalsContact C-N 3.32Å; Y117-T119 PolarHBondContact O-N 2.9Å; T119-A122 WeakPolarHBondContact O-CB 3.28Å; T119-M162 HydrophobicContact CG2-CE 3.63Å; T119-M162 HydrophobicContact CG2-SD 4.45Å; T119-L167 HydrophobicContact CG2-CD1 4.2Å
120F95.9Very high92.7Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-83.2-20.1-172.9-78.3-95.1000113.2I102 I104 L116 Y117 A122 F123 V126 I147 F149 M162 I172 V174I102-F120 HydrophobicContact CD1-CD1 3.62Å; I102-F120 HydrophobicContact CD1-CE1 3.46Å; I102-F120 VanDerWaalsContact CD1-CE1 3.46Å; I102-F120 HydrophobicContact CD1-CZ 4.37Å; I104-F120 HydrophobicContact CD1-CD1 4.49Å; I104-F120 HydrophobicContact CD1-CD2 4.05Å; I104-F120 HydrophobicContact CD1-CE1 3.91Å; I104-F120 HydrophobicContact CD1-CE2 3.4Å; I104-F120 HydrophobicContact CD1-CZ 3.31Å; I104-F120 HydrophobicContact CG1-CE1 4.39Å; I104-F120 HydrophobicContact CG1-CE2 4.42Å; I104-F120 HydrophobicContact CG1-CZ 3.9Å; L116-F120 HydrophobicContact CD2-CD2 4.37Å; L116-F120 HydrophobicContact CD2-CE2 4.06Å; L116-F120 WeakPolarHBondContact O-CB 3.33Å; L116-F120 WeakPolarHBondContact O-CD2 3.44Å; L116-F120 PolarHBondContact O-N 3.18Å; Y117-F120 PolarHBondContact O-N 3.44Å; F120-A122 PolarHBondContact O-N 2.93Å; F120-A122 VanDerWaalsContact O-N 3.16Å; F120-F123 HydrophobicContact CD1-CD2 4.33Å; F120-F123 PolarHBondContact O-N 3.01Å; F120-F123 VanDerWaalsContact O-N 3.1Å; F120-V126 HydrophobicContact CB-CG2 4.48Å; F120-I147 HydrophobicContact CB-CD1 3.67Å; F120-I147 HydrophobicContact CD1-CD1 4Å; F120-I147 HydrophobicContact CD2-CD1 3.45Å; F120-I147 VanDerWaalsContact CD2-CD1 3.45Å; F120-I147 HydrophobicContact CE2-CD1 4.07Å; F120-I147 HydrophobicContact CG-CD1 3.41Å; F120-I147 VanDerWaalsContact CG-CD1 3.41Å; F120-F149 HydrophobicContact CB-CZ 3.9Å; F120-F149 HydrophobicContact CD1-CE2 4.3Å; F120-F149 AromaticContact CD1-CZ 4Å; F120-F149 HydrophobicContact CD1-CZ 4Å; F120-F149 HydrophobicContact CG-CZ 4.45Å; F120-F149 WeakPolarHBondContact O-CE1 3.15Å; F120-M162 HydrophobicContact CE1-CB 4.43Å; F120-M162 HydrophobicContact CE1-CG 4.37Å; F120-M162 HydrophobicContact CZ-CB 4.36Å; F120-M162 HydrophobicContact CZ-CG 4.44Å; F120-I172 HydrophobicContact CE2-CD1 4.4Å; F120-I172 HydrophobicContact CZ-CD1 4.03Å; F120-V174 HydrophobicContact CE1-CG1 4.24Å; F120-V174 HydrophobicContact CE1-CG2 4.49Å; F120-V174 HydrophobicContact CZ-CG2 4.18Å
121S93.5Very high92.8Very high36 Ų3641.5 Ų41.525%0.25222%0.222SC..THydrogen-bonded Turntrans-63.2-17.7173.6-64.70000113Y117 F123 G124Y117-S121 WeakPolarHBondContact CE1-OG 3.3Å; Y117-S121 WeakPolarHBondContact O-CB 3.12Å; Y117-S121 PolarHBondContact O-N 2.98Å; Y117-S121 PolarHBondContact O-OG 3.41Å; S121-F123 PolarHBondContact O-N 3.4Å; S121-G124 WeakPolarHBondContact CA-O 3.26Å; S121-G124 PolarHBondContact O-N 3.03Å
122A94.9Very high92.9Very high60 Ų6042 Ų4250%0.49622%0.224SC..THydrogen-bonded Turntrans-66.1-22.3173.700000113.6T119 F120 P207T119-A122 WeakPolarHBondContact O-CB 3.28Å; F120-A122 PolarHBondContact O-N 2.93Å; F120-A122 VanDerWaalsContact O-N 3.16Å; A122-P207 WeakPolarHBondContact O-CB 3.34Å; A122-P207 VanDerWaalsContact O-CG 3.24Å; A122-P207 WeakPolarHBondContact O-CG 3.36Å
123F95Very high93Very high48 Ų4841.3 Ų41.321%0.21122%0.22CC..THydrogen-bonded Turntrans-92.3-20.6178.9-57.3-75.1000113.1F120 S121 F149 A154 A157 A161 M162F120-F123 HydrophobicContact CD1-CD2 4.33Å; F120-F123 PolarHBondContact O-N 3.01Å; F120-F123 VanDerWaalsContact O-N 3.1Å; S121-F123 PolarHBondContact O-N 3.4Å; F123-F149 HydrophobicContact CB-CE1 4.43Å; F123-F149 HydrophobicContact CB-CZ 4.34Å; F123-A154 VanDerWaalsContact O-CB 3.29Å; F123-A154 WeakPolarHBondContact O-CB 3.42Å; F123-A157 HydrophobicContact CD1-CB 4.15Å; F123-A161 HydrophobicContact CE1-CB 3.48Å; F123-A161 VanDerWaalsContact CE1-CB 3.48Å; F123-A161 HydrophobicContact CZ-CB 3.81Å; F123-M162 HydrophobicContact CE2-CG 3.48Å; F123-M162 VanDerWaalsContact CE2-CG 3.48Å; F123-M162 HydrophobicContact CE2-SD 4.11Å; F123-M162 HydrophobicContact CZ-CG 3.43Å; F123-M162 VanDerWaalsContact CZ-CG 3.43Å; F123-M162 HydrophobicContact CZ-SD 3.88Å
124G91.9Very high92.9Very high14 Ų1445 Ų4514%0.14423%0.233CC..SBendtrans159.5-177.2178.900000112.9S121 V126S121-G124 WeakPolarHBondContact CA-O 3.26Å; S121-G124 PolarHBondContact O-N 3.03Å; G124-V126 PolarHBondContact O-N 2.87Å
125V89.9Confident92.7Very high63 Ų6343.6 Ų43.638%0.38223%0.229SC..  trans-68119.3-174.7-179.50000111.2F149 A150V125-F149 CarbonylContact O-C 3.4Å; V125-F149 WeakPolarHBondContact O-CA 3.41Å; V125-A150 HydrophobicContact CB-CB 3.85Å; V125-A150 HydrophobicContact CG1-CB 4.23Å; V125-A150 PolarHBondContact O-N 2.83Å
126V91.6Very high92.4Very high6 Ų646.6 Ų46.64%0.03625%0.252CS..BIsolated β-bridgetrans-87.5117.6173.4175.40000109.6Y117 F120 G124 Q128 I147 F149Y117-V126 HydrophobicContact CD2-CB 4.02Å; Y117-V126 HydrophobicContact CD2-CG1 3.86Å; Y117-V126 HydrophobicContact CE2-CB 3.82Å; Y117-V126 HydrophobicContact CE2-CG1 4.01Å; F120-V126 HydrophobicContact CB-CG2 4.48Å; G124-V126 PolarHBondContact O-N 2.87Å; V126-Q128 WeakPolarHBondContact CG1-O 3.33Å; V126-I147 HydrophobicContact CG1-CG2 3.86Å; V126-I147 HydrophobicContact CG2-CG2 4.01Å; V126-F149 HydrophobicContact CG2-CD1 4.06Å; V126-F149 HydrophobicContact CG2-CE1 3.7Å; V126-F149 HydrophobicContact CG2-CZ 4.43Å
127L87.2Confident92Very high5 Ų555.2 Ų55.23%0.02629%0.292CS..  trans-76.7-26.5-170.9-66.5-178.9000114.1R85 N95 S148 F149 A150R85-L127 PolarHBondContact NH1-O 3.19Å; R85-L127 PolarHBondContact NH2-O 2.82Å; N95-L127 HydrophobicContact CB-CB 4.21Å; N95-L127 HydrophobicContact CB-CD1 4.43Å; N95-L127 HydrophobicContact CB-CD2 4.01Å; N95-L127 HydrophobicContact CB-CG 4.46Å; N95-L127 PolarHBondContact ND2-O 2.8Å; L127-S148 PolarHBondContact N-O 3.21Å; L127-F149 WeakPolarHBondContact CD1-O 3.28Å; L127-A150 HydrophobicContact CD2-CB 3.66Å; L127-A150 HydrophobicContact CG-CB 4.11Å
128Q86.1Confident91.7Very high101 Ų10156.9 Ų56.947%0.47231%0.308SS..SBendtrans-140.8155.4-173.4-62.6-171.5-10.600110.4V126 P130V126-Q128 WeakPolarHBondContact CG1-O 3.33Å; Q128-P130 WeakPolarHBondContact O-CD 3.5Å
129V90.8Very high91.3Very high37 Ų3754.9 Ų54.922%0.22431%0.307CS..  trans-52.2125170.4176.40000108.4M76 P83 R85 E113 K131M76-V129 HydrophobicContact CE-CB 4.21Å; M76-V129 HydrophobicContact CE-CG1 3.54Å; M76-V129 HydrophobicContact CE-CG2 4.29Å; M76-V129 HydrophobicContact SD-CB 4.36Å; M76-V129 HydrophobicContact SD-CG1 4.25Å; M76-V129 HydrophobicContact SD-CG2 3.87Å; P83-V129 HydrophobicContact CB-CG1 4.07Å; P83-V129 HydrophobicContact CG-CB 4.39Å; P83-V129 HydrophobicContact CG-CG1 3.33Å; P83-V129 HydrophobicContact CG-CG2 4.25Å; R85-V129 HydrophobicContact CG-CG2 3.76Å; E113-V129 HydrophobicContact CB-CG1 4.05Å; E113-V129 HydrophobicContact CG-CG1 4.33Å; V129-K131 PolarHBondContact O-N 2.82Å
130P94Very high90.8Very high1 Ų158.4 Ų58.41%0.00632%0.324CS..  trans-50128.4174.1-31.438.4000111.1E113 L116 Q128 I132 I147E113-P130 WeakPolarHBondContact CG-O 3.27Å; L116-P130 HydrophobicContact CB-CB 3.66Å; L116-P130 HydrophobicContact CB-CG 3.84Å; L116-P130 HydrophobicContact CD1-CB 3.92Å; L116-P130 HydrophobicContact CG-CB 4.47Å; Q128-P130 WeakPolarHBondContact O-CD 3.5Å; P130-I132 PolarHBondContact O-N 3.49Å; P130-I147 HydrophobicContact CB-CD1 4.31Å; P130-I147 HydrophobicContact CB-CG1 3.97Å; P130-I147 HydrophobicContact CG-CD1 4.26Å; P130-I147 HydrophobicContact CG-CG1 4.2Å
131K93.4Very high90.4Very high128 Ų12859.8 Ų59.856%0.55733%0.333SS*.EExtended strand (participates in β ladder)trans-99.896-173.2-166.8178.2174.3-171.60110.3V129 M133 A145 F146V129-K131 PolarHBondContact O-N 2.82Å; K131-M133 HydrophobicContact CB-CE 4.16Å; K131-M133 HydrophobicContact CD-CE 3.51Å; K131-M133 HydrophobicContact CG-CE 3.54Å; K131-A145 CarbonylContact O-C 3.58Å; K131-A145 WeakPolarHBondContact O-CA 3.49Å; K131-A145 WeakPolarHBondContact O-CB 3.48Å; K131-F146 PolarHBondContact N-O 2.78Å; K131-F146 PolarHBondContact O-N 2.68Å
132I94.7Very high90.4Very high12 Ų1263.4 Ų63.46%0.06235%0.345CS..EExtended strand (participates in β ladder)trans-74.2126.3171.5-60.8178.3000108.8V111 D112 E113 L116 P130 R134 S141 A145V111-I132 VanDerWaalsContact O-CD1 3.28Å; V111-I132 WeakPolarHBondContact O-CD1 3.49Å; D112-I132 VanDerWaalsContact C-CD1 3.44Å; E113-I132 HydrophobicContact CG-CD1 4.1Å; E113-I132 HydrophobicContact CG-CG1 4.17Å; L116-I132 HydrophobicContact CD1-CD1 3.9Å; L116-I132 HydrophobicContact CD1-CG1 3.64Å; P130-I132 PolarHBondContact O-N 3.49Å; I132-R134 HydrophobicContact CG2-CG 4.21Å; I132-R134 PolarHBondContact O-N 2.8Å; I132-S141 WeakPolarHBondContact CG2-OG 3.45Å; I132-A145 HydrophobicContact CB-CB 4.5Å; I132-A145 HydrophobicContact CG1-CB 3.97Å
133M94.3Very high90.3Very high39 Ų3961.3 Ų61.319%0.19233%0.329CS..EExtended strand (participates in β ladder)trans-77.6121.8173.3-67.8-52141.600109.6K131 K142 F144 F146K131-M133 HydrophobicContact CB-CE 4.16Å; K131-M133 HydrophobicContact CD-CE 3.51Å; K131-M133 HydrophobicContact CG-CE 3.54Å; M133-K142 HydrophobicContact CB-CB 4.26Å; M133-K142 HydrophobicContact CB-CD 4.39Å; M133-K142 WeakPolarHBondContact O-CB 3.29Å; M133-K142 PolarHBondContact O-N 2.99Å; M133-F144 HydrophobicContact CB-CD1 4.27Å; M133-F144 HydrophobicContact CB-CD2 3.99Å; M133-F144 HydrophobicContact CB-CE1 3.88Å; M133-F144 HydrophobicContact CB-CE2 3.63Å; M133-F144 HydrophobicContact CB-CG 4.32Å; M133-F144 HydrophobicContact CB-CZ 3.54Å; M133-F144 HydrophobicContact CG-CD2 3.68Å; M133-F144 HydrophobicContact CG-CE1 4.33Å; M133-F144 HydrophobicContact CG-CE2 3.16Å; M133-F144 HydrophobicContact CG-CG 4.48Å; M133-F144 HydrophobicContact CG-CZ 3.52Å; M133-F144 PolarHBondContact N-O 3.37Å; M133-F146 HydrophobicContact CE-CD2 3.44Å; M133-F146 VanDerWaalsContact CE-CD2 3.44Å; M133-F146 HydrophobicContact CE-CE2 3.68Å; M133-F146 HydrophobicContact CG-CD2 4.49Å; M133-F146 HydrophobicContact CG-CE2 4.15Å
134R92Very high90.4Very high97 Ų9761.7 Ų61.737%0.36633%0.331SS..EExtended strand (participates in β ladder)trans-114.6151175.9-63.4174.9-172.8-88.8-2.9109.7E113 I132 G139 N140E113-R134 IonicContact OE1-CZ 3.64Å; E113-R134 IonicContact OE1-NE 3.72Å; E113-R134 PolarHBondContact OE1-NE 2.87Å; E113-R134 IonicContact OE1-NH2 3.72Å; E113-R134 PolarHBondContact OE1-NH2 3.08Å; E113-R134 IonicContact OE2-NH2 3.04Å; I132-R134 HydrophobicContact CG2-CG 4.21Å; I132-R134 PolarHBondContact O-N 2.8Å; R134-G139 WeakPolarHBondContact CD-O 3.32Å; R134-N140 CarbonylContact C-O 3.58Å; R134-N140 WeakPolarHBondContact CA-O 3.17Å
135D88.5Confident90.6Very high46 Ų4661 Ų6125%0.24632%0.324CS..  trans-66.3128.3169.6-172.1-79.7000109.4E137 T138 G139 N140D135-E137 VanDerWaalsContact C-N 3.25Å; D135-E137 PolarHBondContact O-N 3.37Å; D135-E137 WeakPolarHBondContact OD1-CA 3.43Å; D135-E137 WeakPolarHBondContact OD1-CB 3.46Å; D135-E137 PolarHBondContact OD1-N 2.87Å; D135-T138 WeakPolarHBondContact CB-OG1 3.5Å; D135-T138 PolarHBondContact OD1-N 3.49Å; D135-T138 PolarHBondContact OD1-OG1 3.45Å; D135-G139 VanDerWaalsContact O-CA 3.23Å; D135-G139 WeakPolarHBondContact O-CA 3.28Å; D135-G139 PolarHBondContact O-N 3.41Å; D135-N140 PolarHBondContact N-O 2.98Å
136P87.4Confident90.9Very high117 Ų11761.2 Ų61.276%0.7632%0.32SS*.THydrogen-bonded Turntrans-69.4-23.3-175.328.3-34.5000113.2
137E88.2Confident91.1Very high181 Ų18161 Ų6185%0.84632%0.318SS*.THydrogen-bonded Turntrans-88-44.5-178.2-57.6-172.5119.200111D135D135-E137 VanDerWaalsContact C-N 3.25Å; D135-E137 PolarHBondContact O-N 3.37Å; D135-E137 WeakPolarHBondContact OD1-CA 3.43Å; D135-E137 WeakPolarHBondContact OD1-CB 3.46Å; D135-E137 PolarHBondContact OD1-N 2.87Å
138T88.7Confident91.3Very high88 Ų8861.5 Ų61.554%0.5432%0.322SS..THydrogen-bonded Turntrans-96.7-18.7-175.463.70000114.1D135 N140D135-T138 WeakPolarHBondContact CB-OG1 3.5Å; D135-T138 PolarHBondContact OD1-N 3.49Å; D135-T138 PolarHBondContact OD1-OG1 3.45Å; T138-N140 PolarHBondContact O-N 3.38Å; T138-N140 WeakPolarHBondContact OG1-CB 3.49Å; T138-N140 PolarHBondContact OG1-N 3.22Å
139G84Confident91.7Very high40 Ų4056.7 Ų56.741%0.41230%0.3SS..  trans72.6-2.9-171.800000114.5R134 D135R134-G139 WeakPolarHBondContact CD-O 3.32Å; D135-G139 VanDerWaalsContact O-CA 3.23Å; D135-G139 WeakPolarHBondContact O-CA 3.28Å; D135-G139 PolarHBondContact O-N 3.41Å
140N85.1Confident91.7Very high108 Ų10855.8 Ų55.858%0.57830%0.296SS*.  trans-69.8145.1-178.8-71.4-22.2000111.4R134 D135 T138 K142R134-N140 CarbonylContact C-O 3.58Å; R134-N140 WeakPolarHBondContact CA-O 3.17Å; D135-N140 PolarHBondContact N-O 2.98Å; T138-N140 PolarHBondContact O-N 3.38Å; T138-N140 WeakPolarHBondContact OG1-CB 3.49Å; T138-N140 PolarHBondContact OG1-N 3.22Å; N140-K142 PolarHBondContact O-N 3.11Å
141S87.7Confident91.5Very high28 Ų2857.8 Ų57.820%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-61.6133.1174-1760000110.6I132 G143I132-S141 WeakPolarHBondContact CG2-OG 3.45Å; S141-G143 PolarHBondContact O-N 3.5Å; S141-G143 PolarHBondContact OG-N 3.04Å; S141-G143 VanDerWaalsContact OG-N 3.13Å
142K92.8Very high91.4Very high112 Ų11252.3 Ų52.349%0.48729%0.287SS..EExtended strand (participates in β ladder)trans-76.92.3169.4-61.8-168.3175.2-169.90112.2M133 N140 F144M133-K142 HydrophobicContact CB-CB 4.26Å; M133-K142 HydrophobicContact CB-CD 4.39Å; M133-K142 WeakPolarHBondContact O-CB 3.29Å; M133-K142 PolarHBondContact O-N 2.99Å; N140-K142 PolarHBondContact O-N 3.11Å; K142-F144 HydrophobicContact CB-CD1 3.75Å; K142-F144 HydrophobicContact CB-CE1 3.48Å; K142-F144 VanDerWaalsContact CB-CE1 3.48Å; K142-F144 HydrophobicContact CB-CZ 4.49Å; K142-F144 HydrophobicContact CD-CE1 4.09Å; K142-F144 HydrophobicContact CG-CE1 4.4Å; K142-F144 WeakPolarHBondContact O-CD1 3.46Å
143G93.7Very high91.4Very high16 Ų1659.4 Ų59.417%0.16532%0.319CS..EExtended strand (participates in β ladder)trans77.820.5177.900000114G105 N106 L107 S141G105-G143 CarbonylContact C-O 3.49Å; N106-G143 PolarHBondContact N-O 3.15Å; L107-G143 PolarHBondContact N-O 3.05Å; S141-G143 PolarHBondContact O-N 3.5Å; S141-G143 PolarHBondContact OG-N 3.04Å; S141-G143 VanDerWaalsContact OG-N 3.13Å
144F96Very high91.3Very high57 Ų5757.7 Ų57.725%0.2531%0.311CS..EExtended strand (participates in β ladder)trans-148155.7174.169.1-86.1000113.5F103 I104 M133 K142 F146F103-F144 HydrophobicContact CD2-CD2 4.16Å; F103-F144 HydrophobicContact CE2-CB 3.63Å; F103-F144 AromaticContact CE2-CD2 3.47Å; F103-F144 HydrophobicContact CE2-CD2 3.47Å; F103-F144 VanDerWaalsContact CE2-CD2 3.47Å; F103-F144 HydrophobicContact CE2-CE2 4.25Å; F103-F144 AromaticContact CE2-CG 3.78Å; F103-F144 HydrophobicContact CE2-CG 3.78Å; F103-F144 HydrophobicContact CZ-CB 3.77Å; F103-F144 HydrophobicContact CZ-CD2 4.38Å; F103-F144 HydrophobicContact CZ-CG 4.26Å; I104-F144 CarbonylContact O-C 3.5Å; I104-F144 WeakPolarHBondContact O-CA 3.42Å; I104-F144 VanDerWaalsContact O-CB 3.23Å; I104-F144 WeakPolarHBondContact O-CB 3.2Å; M133-F144 HydrophobicContact CB-CD1 4.27Å; M133-F144 HydrophobicContact CB-CD2 3.99Å; M133-F144 HydrophobicContact CB-CE1 3.88Å; M133-F144 HydrophobicContact CB-CE2 3.63Å; M133-F144 HydrophobicContact CB-CG 4.32Å; M133-F144 HydrophobicContact CB-CZ 3.54Å; M133-F144 HydrophobicContact CG-CD2 3.68Å; M133-F144 HydrophobicContact CG-CE1 4.33Å; M133-F144 HydrophobicContact CG-CE2 3.16Å; M133-F144 HydrophobicContact CG-CG 4.48Å; M133-F144 HydrophobicContact CG-CZ 3.52Å; M133-F144 PolarHBondContact N-O 3.37Å; K142-F144 HydrophobicContact CB-CD1 3.75Å; K142-F144 HydrophobicContact CB-CE1 3.48Å; K142-F144 VanDerWaalsContact CB-CE1 3.48Å; K142-F144 HydrophobicContact CB-CZ 4.49Å; K142-F144 HydrophobicContact CD-CE1 4.09Å; K142-F144 HydrophobicContact CG-CE1 4.4Å; K142-F144 WeakPolarHBondContact O-CD1 3.46Å; F144-F146 AromaticContact CD2-CE2 3.91Å; F144-F146 HydrophobicContact CD2-CE2 3.91Å; F144-F146 HydrophobicContact CD2-CZ 4.37Å; F144-F146 AromaticContact CE2-CE2 3.76Å; F144-F146 HydrophobicContact CE2-CE2 3.76Å; F144-F146 HydrophobicContact CE2-CZ 4.22Å
145A96.9Very high91.4Very high0 Ų053 Ų530%029%0.294CS..EExtended strand (participates in β ladder)trans-141.5168.4179.600000112.6I104 L107 L116 K131 I132I104-A145 PolarHBondContact N-O 3.26Å; I104-A145 PolarHBondContact O-N 2.89Å; L107-A145 HydrophobicContact CD1-CB 3.51Å; L116-A145 HydrophobicContact CD1-CB 3.59Å; K131-A145 CarbonylContact O-C 3.58Å; K131-A145 WeakPolarHBondContact O-CA 3.49Å; K131-A145 WeakPolarHBondContact O-CB 3.48Å; I132-A145 HydrophobicContact CB-CB 4.5Å; I132-A145 HydrophobicContact CG1-CB 3.97Å
146F95.9Very high91.7Very high67 Ų6753.4 Ų53.429%0.29430%0.296SS..EExtended strand (participates in β ladder)trans-124.3141.6170.9-62.1-90.9000110.7I102 F103 K131 M133 F144 A177I102-F146 VanDerWaalsContact O-CA 3.3Å; I102-F146 WeakPolarHBondContact O-CA 3.36Å; F103-F146 HydrophobicContact CB-CD1 4.31Å; F103-F146 HydrophobicContact CB-CE1 4.11Å; F103-F146 HydrophobicContact CD2-CD1 4.44Å; F103-F146 AromaticContact CD2-CE1 3.78Å; F103-F146 HydrophobicContact CD2-CE1 3.78Å; F103-F146 AromaticContact CD2-CZ 3.84Å; F103-F146 HydrophobicContact CD2-CZ 3.84Å; F103-F146 HydrophobicContact CE2-CZ 4.5Å; F103-F146 HydrophobicContact CG-CE1 4.45Å; K131-F146 PolarHBondContact N-O 2.78Å; K131-F146 PolarHBondContact O-N 2.68Å; M133-F146 HydrophobicContact CE-CD2 3.44Å; M133-F146 VanDerWaalsContact CE-CD2 3.44Å; M133-F146 HydrophobicContact CE-CE2 3.68Å; M133-F146 HydrophobicContact CG-CD2 4.49Å; M133-F146 HydrophobicContact CG-CE2 4.15Å; F144-F146 AromaticContact CD2-CE2 3.91Å; F144-F146 HydrophobicContact CD2-CE2 3.91Å; F144-F146 HydrophobicContact CD2-CZ 4.37Å; F144-F146 AromaticContact CE2-CE2 3.76Å; F144-F146 HydrophobicContact CE2-CE2 3.76Å; F144-F146 HydrophobicContact CE2-CZ 4.22Å; F146-A177 HydrophobicContact CD1-CB 3.67Å; F146-A177 HydrophobicContact CE1-CB 3.77Å
147I95.2Very high92.1Very high1 Ų149.6 Ų49.61%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-128.4136.7174.4-58.8-174.4000108.6N101 I102 I104 L116 F120 V126 P130 F149N101-I147 CarbonylContact C-O 3.59Å; N101-I147 WeakPolarHBondContact CA-O 3.47Å; I102-I147 HydrophobicContact CD1-CB 4.06Å; I102-I147 HydrophobicContact CG1-CB 3.71Å; I102-I147 HydrophobicContact CG1-CG2 4.49Å; I102-I147 PolarHBondContact N-O 3.39Å; I102-I147 PolarHBondContact O-N 2.88Å; I102-I147 VanDerWaalsContact O-N 3.07Å; I104-I147 HydrophobicContact CD1-CD1 3.4Å; I104-I147 HydrophobicContact CD1-CG1 3.79Å; L116-I147 HydrophobicContact CB-CD1 4.23Å; F120-I147 HydrophobicContact CB-CD1 3.67Å; F120-I147 HydrophobicContact CD1-CD1 4Å; F120-I147 HydrophobicContact CD2-CD1 3.45Å; F120-I147 VanDerWaalsContact CD2-CD1 3.45Å; F120-I147 HydrophobicContact CE2-CD1 4.07Å; F120-I147 HydrophobicContact CG-CD1 3.41Å; F120-I147 VanDerWaalsContact CG-CD1 3.41Å; V126-I147 HydrophobicContact CG1-CG2 3.86Å; V126-I147 HydrophobicContact CG2-CG2 4.01Å; P130-I147 HydrophobicContact CB-CD1 4.31Å; P130-I147 HydrophobicContact CB-CG1 3.97Å; P130-I147 HydrophobicContact CG-CD1 4.26Å; P130-I147 HydrophobicContact CG-CG1 4.2Å; I147-F149 HydrophobicContact CG2-CD2 4.38Å; I147-F149 HydrophobicContact CG2-CE2 4.14Å; I147-F149 HydrophobicContact CG2-CZ 4.32Å
148S93Very high92.5Very high15 Ų1541 Ų4111%0.10523%0.234CC..EExtended strand (participates in β ladder)trans-109.9115.6177.3-61.90000109.4N101 L127N101-S148 WeakPolarHBondContact OD1-CA 3.43Å; N101-S148 WeakPolarHBondContact OD1-CB 3.34Å; N101-S148 PolarHBondContact OD1-OG 3.13Å; L127-S148 PolarHBondContact N-O 3.21Å
149F93.6Very high92.9Very high0 Ų038.5 Ų38.50%022%0.217CC..BIsolated β-bridgetrans-91.7158.7175.5-76.8-72.9000112.3A100 I102 F120 F123 V125 V126 L127 I147 S151 A154 S155A100-F149 HydrophobicContact CB-CB 4.24Å; A100-F149 PolarHBondContact O-N 3.49Å; I102-F149 HydrophobicContact CD1-CE2 3.73Å; I102-F149 HydrophobicContact CG1-CD2 4.42Å; I102-F149 HydrophobicContact CG1-CE2 4.11Å; I102-F149 HydrophobicContact CG2-CD2 4.49Å; F120-F149 HydrophobicContact CB-CZ 3.9Å; F120-F149 HydrophobicContact CD1-CE2 4.3Å; F120-F149 AromaticContact CD1-CZ 4Å; F120-F149 HydrophobicContact CD1-CZ 4Å; F120-F149 HydrophobicContact CG-CZ 4.45Å; F120-F149 WeakPolarHBondContact O-CE1 3.15Å; F123-F149 HydrophobicContact CB-CE1 4.43Å; F123-F149 HydrophobicContact CB-CZ 4.34Å; V125-F149 CarbonylContact O-C 3.4Å; V125-F149 WeakPolarHBondContact O-CA 3.41Å; V126-F149 HydrophobicContact CG2-CD1 4.06Å; V126-F149 HydrophobicContact CG2-CE1 3.7Å; V126-F149 HydrophobicContact CG2-CZ 4.43Å; L127-F149 WeakPolarHBondContact CD1-O 3.28Å; I147-F149 HydrophobicContact CG2-CD2 4.38Å; I147-F149 HydrophobicContact CG2-CE2 4.14Å; I147-F149 HydrophobicContact CG2-CZ 4.32Å; F149-S151 VanDerWaalsContact C-N 3.28Å; F149-A154 HydrophobicContact CB-CB 4.16Å; F149-A154 HydrophobicContact CD1-CB 3.67Å; F149-A154 HydrophobicContact CE1-CB 4.12Å; F149-A154 HydrophobicContact CG-CB 3.92Å; F149-S155 WeakPolarHBondContact CD2-OG 3.36Å
150A89.8Confident93.5Very high19 Ų1944.9 Ų44.916%0.15724%0.236CC..SBendtrans-75.4-16.2171.600000113.3I98 V125 L127 F202I98-A150 VanDerWaalsContact CD1-O 3.27Å; I98-A150 WeakPolarHBondContact CD1-O 3.36Å; V125-A150 HydrophobicContact CB-CB 3.85Å; V125-A150 HydrophobicContact CG1-CB 4.23Å; V125-A150 PolarHBondContact O-N 2.83Å; L127-A150 HydrophobicContact CD2-CB 3.66Å; L127-A150 HydrophobicContact CG-CB 4.11Å; A150-F202 HydrophobicContact CB-CD2 4.01Å; A150-F202 HydrophobicContact CB-CE2 3.96Å
151S90.8Very high94Very high43 Ų4341.8 Ų41.830%0.30123%0.226SC..  trans-143.5151-177.272.30000112.5F149 E153 A154 S155F149-S151 VanDerWaalsContact C-N 3.28Å; S151-E153 VanDerWaalsContact C-N 3.3Å; S151-A154 WeakPolarHBondContact OG-CB 3.06Å; S151-A154 PolarHBondContact OG-N 3.02Å; S151-A154 VanDerWaalsContact OG-N 3.16Å; S151-S155 PolarHBondContact O-N 3.25Å; S151-S155 PolarHBondContact O-OG 3.23Å
152F91.8Very high94.4Very high13 Ų1341.7 Ų41.76%0.05722%0.222CC..Hα-helixtrans-68.5-30.9171.5-75.4-71.8000112.3I98 G99 A100 A154 S155 D156 Y176 E192 R193 A196I98-F152 HydrophobicContact CB-CE2 4.48Å; I98-F152 HydrophobicContact CD1-CD2 3.99Å; I98-F152 HydrophobicContact CD1-CE2 3.94Å; I98-F152 HydrophobicContact CG1-CE2 4.28Å; I98-F152 VanDerWaalsContact O-CZ 3.3Å; I98-F152 WeakPolarHBondContact O-CZ 3.35Å; G99-F152 WeakPolarHBondContact O-CE1 3.45Å; A100-F152 HydrophobicContact CB-CD1 4.03Å; A100-F152 HydrophobicContact CB-CE1 4.02Å; A100-F152 HydrophobicContact CB-CG 4.32Å; A100-F152 HydrophobicContact CB-CZ 4.33Å; F152-A154 PolarHBondContact O-N 3.11Å; F152-S155 WeakPolarHBondContact O-CB 3.42Å; F152-S155 PolarHBondContact O-N 3.02Å; F152-S155 VanDerWaalsContact O-N 3.17Å; F152-D156 VanDerWaalsContact O-CG 3.32Å; F152-D156 PolarHBondContact O-N 3.35Å; F152-Y176 HydrophobicContact CD1-CE1 4.01Å; F152-Y176 HydrophobicContact CE1-CE1 4.21Å; F152-E192 HydrophobicContact CE2-CB 4.12Å; F152-E192 WeakPolarHBondContact CE2-O 3.42Å; F152-E192 HydrophobicContact CZ-CB 3.63Å; F152-R193 HydrophobicContact CB-CG 4.27Å; F152-R193 HydrophobicContact CD1-CG 4.12Å; F152-R193 HydrophobicContact CD2-CB 4.3Å; F152-R193 HydrophobicContact CD2-CG 3.79Å; F152-R193 HydrophobicContact CE1-CG 4.49Å; F152-R193 HydrophobicContact CE2-CG 4.16Å; F152-R193 HydrophobicContact CG-CG 3.77Å; F152-A196 HydrophobicContact CD2-CB 3.86Å; F152-A196 HydrophobicContact CE2-CB 3.76Å
153E93.3Very high94.6Very high160 Ų16040.3 Ų40.375%0.74822%0.22SC*.Hα-helixtrans-59.2-46.4175.3-175.7179.1-179.700111.5S151 S155 D156 A157S151-E153 VanDerWaalsContact C-N 3.3Å; E153-S155 VanDerWaalsContact C-N 3.3Å; E153-S155 PolarHBondContact O-N 3.5Å; E153-D156 PolarHBondContact O-N 3.39Å; E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 2.87Å
154A93.8Very high94.7Very high3 Ų341.7 Ų41.73%0.02523%0.234CC..Hα-helixtrans-63-38.3175.600000111.9F123 F149 S151 F152 S158F123-A154 VanDerWaalsContact O-CB 3.29Å; F123-A154 WeakPolarHBondContact O-CB 3.42Å; F149-A154 HydrophobicContact CB-CB 4.16Å; F149-A154 HydrophobicContact CD1-CB 3.67Å; F149-A154 HydrophobicContact CE1-CB 4.12Å; F149-A154 HydrophobicContact CG-CB 3.92Å; S151-A154 WeakPolarHBondContact OG-CB 3.06Å; S151-A154 PolarHBondContact OG-N 3.02Å; S151-A154 VanDerWaalsContact OG-N 3.16Å; F152-A154 PolarHBondContact O-N 3.11Å; A154-S158 VanDerWaalsContact O-CB 3.3Å; A154-S158 WeakPolarHBondContact O-CB 3.34Å; A154-S158 PolarHBondContact O-N 3.23Å; A154-S158 PolarHBondContact O-OG 2.89Å
155S94.4Very high94.7Very high0 Ų043.9 Ų43.90%025%0.246CC..Hα-helixtrans-63.9-49.5176.3-60.20000111.6A100 F149 S151 F152 E153 S158 I159 Y176A100-S155 WeakPolarHBondContact CB-OG 3.15Å; A100-S155 PolarHBondContact O-OG 3.47Å; F149-S155 WeakPolarHBondContact CD2-OG 3.36Å; S151-S155 PolarHBondContact O-N 3.25Å; S151-S155 PolarHBondContact O-OG 3.23Å; F152-S155 WeakPolarHBondContact O-CB 3.42Å; F152-S155 PolarHBondContact O-N 3.02Å; F152-S155 VanDerWaalsContact O-N 3.17Å; E153-S155 VanDerWaalsContact C-N 3.3Å; E153-S155 PolarHBondContact O-N 3.5Å; S155-S158 PolarHBondContact O-N 2.95Å; S155-S158 PolarHBondContact O-OG 2.95Å; S155-I159 VanDerWaalsContact O-CG1 3.29Å; S155-I159 WeakPolarHBondContact O-CG1 3.42Å; S155-I159 PolarHBondContact O-N 3.04Å; S155-Y176 WeakPolarHBondContact CB-OH 3.46Å
156D94.4Very high94.6Very high53 Ų5351.6 Ų51.628%0.28328%0.276SS..Hα-helixtrans-61.6-47.7179.3-68.9-27.4000111.4F152 E153 S158 I159 E160 Y176 R193F152-D156 VanDerWaalsContact O-CG 3.32Å; F152-D156 PolarHBondContact O-N 3.35Å; E153-D156 PolarHBondContact O-N 3.39Å; D156-S158 VanDerWaalsContact C-N 3.31Å; D156-S158 PolarHBondContact O-N 2.81Å; D156-I159 PolarHBondContact O-N 3.25Å; D156-E160 PolarHBondContact O-N 3.4Å; D156-Y176 VanDerWaalsContact OD1-CE2 3.32Å; D156-Y176 WeakPolarHBondContact OD1-CE2 3.39Å; D156-Y176 PolarHBondContact OD1-OH 3.28Å; D156-R193 VanDerWaalsContact CG-NH2 3.28Å; D156-R193 IonicContact OD1-CZ 2.74Å; D156-R193 IonicContact OD1-NH1 2.96Å; D156-R193 IonicContact OD1-NH2 3.48Å; D156-R193 PolarHBondContact OD1-NH2 2.98Å; D156-R193 IonicContact OD2-CZ 3.1Å; D156-R193 VanDerWaalsContact OD2-CZ 3.27Å; D156-R193 IonicContact OD2-NH1 2.69Å; D156-R193 PolarHBondContact OD2-NH1 3.34Å; D156-R193 IonicContact OD2-NH2 2.77Å; D156-R193 PolarHBondContact OD2-NH2 3.34Å
157A96.1Very high94.5Very high38 Ų3849 Ų4931%0.31427%0.265SS..Hα-helixtrans-59.5-42177.500000111.8F123 E153 E160 A161F123-A157 HydrophobicContact CD1-CB 4.15Å; E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 2.87Å; A157-E160 PolarHBondContact O-N 2.93Å; A157-A161 VanDerWaalsContact O-CB 3.26Å; A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 3.28Å
158S96.2Very high94.4Very high0 Ų051.7 Ų51.70%028%0.283CS..Hα-helixtrans-66.2-38.4177.176.20000112.6A154 S155 D156 M162A154-S158 VanDerWaalsContact O-CB 3.3Å; A154-S158 WeakPolarHBondContact O-CB 3.34Å; A154-S158 PolarHBondContact O-N 3.23Å; A154-S158 PolarHBondContact O-OG 2.89Å; S155-S158 PolarHBondContact O-N 2.95Å; S155-S158 PolarHBondContact O-OG 2.95Å; D156-S158 VanDerWaalsContact C-N 3.31Å; D156-S158 PolarHBondContact O-N 2.81Å; S158-M162 WeakPolarHBondContact O-CB 3.47Å; S158-M162 PolarHBondContact O-N 2.84Å
159I96.4Very high94.4Very high35 Ų3556.5 Ų56.518%0.17931%0.308CS..Hα-helixtrans-66.1-47.1177.6-69.9162.5000109.9I102 S155 D156 N163 V174 Y176I102-I159 HydrophobicContact CG2-CD1 4.1Å; I102-I159 HydrophobicContact CG2-CG1 4.22Å; S155-I159 VanDerWaalsContact O-CG1 3.29Å; S155-I159 WeakPolarHBondContact O-CG1 3.42Å; S155-I159 PolarHBondContact O-N 3.04Å; D156-I159 PolarHBondContact O-N 3.25Å; I159-N163 WeakPolarHBondContact O-CB 3.44Å; I159-N163 PolarHBondContact O-N 2.94Å; I159-V174 HydrophobicContact CG1-CG1 3.89Å; I159-Y176 HydrophobicContact CD1-CD2 3.53Å; I159-Y176 HydrophobicContact CD1-CE2 3.5Å; I159-Y176 VanDerWaalsContact CD1-CE2 3.5Å; I159-Y176 HydrophobicContact CD1-CG 4.09Å
160E96.3Very high94.4Very high175 Ų17561.3 Ų61.382%0.81833%0.326SS*.Hα-helixtrans-63.8-43.8-179.2-174.1177.3178.300111.9D156 A157D156-E160 PolarHBondContact O-N 3.4Å; A157-E160 PolarHBondContact O-N 2.93Å
161A96.1Very high94.7Very high43 Ų4362.7 Ų62.736%0.35533%0.333SS..Hα-helixtrans-79.8-39.7-175.400000113.6F123 A157 Q165F123-A161 HydrophobicContact CE1-CB 3.48Å; F123-A161 VanDerWaalsContact CE1-CB 3.48Å; F123-A161 HydrophobicContact CZ-CB 3.81Å; A157-A161 VanDerWaalsContact O-CB 3.26Å; A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 3.28Å; A161-Q165 WeakPolarHBondContact O-CG 3.48Å
162M96.6Very high95.1Very high25 Ų2560.8 Ų60.812%0.12332%0.32CS..Hα-helixtrans-101.3-17.1-168-63.7-64.3-63.100114.6T119 F120 F123 S158 G164 Q165 I172 V174T119-M162 HydrophobicContact CG2-CE 3.63Å; T119-M162 HydrophobicContact CG2-SD 4.45Å; F120-M162 HydrophobicContact CE1-CB 4.43Å; F120-M162 HydrophobicContact CE1-CG 4.37Å; F120-M162 HydrophobicContact CZ-CB 4.36Å; F120-M162 HydrophobicContact CZ-CG 4.44Å; F123-M162 HydrophobicContact CE2-CG 3.48Å; F123-M162 VanDerWaalsContact CE2-CG 3.48Å; F123-M162 HydrophobicContact CE2-SD 4.11Å; F123-M162 HydrophobicContact CZ-CG 3.43Å; F123-M162 VanDerWaalsContact CZ-CG 3.43Å; F123-M162 HydrophobicContact CZ-SD 3.88Å; S158-M162 WeakPolarHBondContact O-CB 3.47Å; S158-M162 PolarHBondContact O-N 2.84Å; M162-G164 PolarHBondContact O-N 3.5Å; M162-G164 VanDerWaalsContact O-N 3.14Å; M162-Q165 HydrophobicContact CE-CB 4.4Å; M162-Q165 WeakPolarHBondContact O-CB 3.33Å; M162-Q165 PolarHBondContact O-N 3.37Å; M162-I172 HydrophobicContact CB-CD1 4.25Å; M162-I172 HydrophobicContact CE-CD1 3.98Å; M162-I172 WeakPolarHBondContact O-CG1 3.34Å; M162-V174 HydrophobicContact CB-CG2 3.94Å
163N96.2Very high95.3Very high83 Ų8362.8 Ų62.844%0.44434%0.335SS..THydrogen-bonded Turntrans-65.6117.9179.3-176.851.1000110.9I159 S173 V174I159-N163 WeakPolarHBondContact O-CB 3.44Å; I159-N163 PolarHBondContact O-N 2.94Å; N163-S173 WeakPolarHBondContact OD1-CA 3.4Å; N163-S173 PolarHBondContact OD1-OG 2.93Å; N163-V174 HydrophobicContact CB-CB 4.14Å; N163-V174 PolarHBondContact OD1-N 3.41Å; N163-V174 PolarHBondContact OD1-O 3.32Å
164G95.9Very high95.5Very high45 Ų4555.3 Ų55.346%0.46430%0.301SS..THydrogen-bonded Turntrans88.6-6.2-175.100000114.7M162 I172M162-G164 PolarHBondContact O-N 3.5Å; M162-G164 VanDerWaalsContact O-N 3.14Å; G164-I172 WeakPolarHBondContact CA-O 3.39Å; G164-I172 PolarHBondContact N-O 3.39Å
165Q96.5Very high95.6Very high104 Ų10456.4 Ų56.449%0.48631%0.308SS..  trans-73.8154.2175.7-65.6-61.3-16.300111.6A161 M162 P171 I172A161-Q165 WeakPolarHBondContact O-CG 3.48Å; M162-Q165 HydrophobicContact CE-CB 4.4Å; M162-Q165 WeakPolarHBondContact O-CB 3.33Å; M162-Q165 PolarHBondContact O-N 3.37Å; Q165-P171 CarbonylContact O-C 3.59Å; Q165-P171 VanDerWaalsContact O-CA 3.26Å; Q165-P171 WeakPolarHBondContact O-CA 3.34Å; Q165-I172 WeakPolarHBondContact O-CG1 3.47Å; Q165-I172 PolarHBondContact O-N 3.13Å
166Y95.1Very high95.6Very high161 Ų16157.8 Ų57.863%0.63131%0.313SS*.EExtended strand (participates in β ladder)trans-80.3127.7175.3-78.9-105000110.7R170 P171Y166-R170 WeakPolarHBondContact CA-O 3.28Å; Y166-P171 HydrophobicContact CD2-CB 4.3Å; Y166-P171 HydrophobicContact CE1-CG 4.45Å; Y166-P171 HydrophobicContact CE2-CB 4.1Å
167L93.5Very high95.5Very high13 Ų1355.3 Ų55.37%0.06830%0.301CS..EExtended strand (participates in β ladder)trans-118.4114.1164.5-166.767.6000107.2L107 V111 L115 L116 T119 N169 R170 I172L107-L167 HydrophobicContact CD2-CD2 4.34Å; V111-L167 HydrophobicContact CG1-CD2 3.99Å; V111-L167 HydrophobicContact CG2-CD2 4Å; V111-L167 HydrophobicContact CG2-CG 4.11Å; L115-L167 HydrophobicContact CD2-CD1 4.38Å; L115-L167 HydrophobicContact CD2-CG 4.34Å; L115-L167 HydrophobicContact CG-CD1 4.39Å; L116-L167 HydrophobicContact CD2-CD2 3.84Å; T119-L167 HydrophobicContact CG2-CD1 4.2Å; L167-N169 PolarHBondContact O-N 2.74Å; L167-R170 PolarHBondContact N-O 2.97Å; L167-I172 HydrophobicContact CB-CD1 4.42Å; L167-I172 HydrophobicContact CB-CG2 3.65Å; L167-I172 HydrophobicContact CD2-CG2 4.46Å
168C92.4Very high95.1Very high58 Ų5858.9 Ų58.939%0.39231%0.309SS..THydrogen-bonded Turntrans57-125.9-163.2-55.90000110.7D108 V111D108-C168 HydrophobicContact CB-CB 4.02Å; V111-C168 HydrophobicContact CG2-CB 4.46Å
169N92.6Very high94.5Very high116 Ų11661.8 Ų61.862%0.6232%0.322SS*.THydrogen-bonded Turntrans-94.35.6-172.4-59.1-50.8000114L167L167-N169 PolarHBondContact O-N 2.74Å
170R94.9Very high93.6Very high101 Ų10169.5 Ų69.538%0.38135%0.354SS..EExtended strand (participates in β ladder)trans-131.4142.1-175.5-63.7-173-173.9-165.9-4.4112.9D108 Y166 L167 I172D108-R170 HydrophobicContact CB-CB 4.43Å; D108-R170 HydrophobicContact CB-CG 4.21Å; D108-R170 IonicContact OD2-NE 2.69Å; Y166-R170 WeakPolarHBondContact CA-O 3.28Å; L167-R170 PolarHBondContact N-O 2.97Å; R170-I172 PolarHBondContact O-N 3.02Å
171P96.5Very high92.4Very high47 Ų4769.1 Ų69.131%0.30536%0.358SS..EExtended strand (participates in β ladder)trans-72.9123.5169.429.7-31.7000109.9N106 Q165 Y166N106-P171 PolarHBondContact ND2-O 2.98Å; Q165-P171 CarbonylContact O-C 3.59Å; Q165-P171 VanDerWaalsContact O-CA 3.26Å; Q165-P171 WeakPolarHBondContact O-CA 3.34Å; Y166-P171 HydrophobicContact CD2-CB 4.3Å; Y166-P171 HydrophobicContact CE1-CG 4.45Å; Y166-P171 HydrophobicContact CE2-CB 4.1Å
172I97.8Very high91.2Very high3 Ų368.2 Ų68.22%0.01535%0.351CS..  trans-84.3151.5179.961.8169.2000111.1I104 G105 L107 F120 M162 G164 Q165 L167 R170 V174I104-I172 HydrophobicContact CG2-CB 4.03Å; I104-I172 HydrophobicContact CG2-CD1 4.05Å; I104-I172 HydrophobicContact CG2-CG2 4.39Å; G105-I172 WeakPolarHBondContact O-CA 3.4Å; L107-I172 HydrophobicContact CD2-CG2 3.86Å; F120-I172 HydrophobicContact CE2-CD1 4.4Å; F120-I172 HydrophobicContact CZ-CD1 4.03Å; M162-I172 HydrophobicContact CB-CD1 4.25Å; M162-I172 HydrophobicContact CE-CD1 3.98Å; M162-I172 WeakPolarHBondContact O-CG1 3.34Å; G164-I172 WeakPolarHBondContact CA-O 3.39Å; G164-I172 PolarHBondContact N-O 3.39Å; Q165-I172 WeakPolarHBondContact O-CG1 3.47Å; Q165-I172 PolarHBondContact O-N 3.13Å; L167-I172 HydrophobicContact CB-CD1 4.42Å; L167-I172 HydrophobicContact CB-CG2 3.65Å; L167-I172 HydrophobicContact CD2-CG2 4.46Å; R170-I172 PolarHBondContact O-N 3.02Å; I172-V174 HydrophobicContact CD1-CG2 3.7Å; I172-V174 HydrophobicContact CG1-CG2 4.04Å
173S97.1Very high89.9Confident56 Ų5677.4 Ų77.439%0.39239%0.39SS..EExtended strand (participates in β ladder)trans-109121.5169.9-177.30000109.5I104 G105 N163I104-S173 CarbonylContact C-O 3.48Å; I104-S173 WeakPolarHBondContact CA-O 3.28Å; G105-S173 PolarHBondContact N-O 3.39Å; G105-S173 PolarHBondContact O-N 2.93Å; N163-S173 WeakPolarHBondContact OD1-CA 3.4Å; N163-S173 PolarHBondContact OD1-OG 2.93Å
174V97.3Very high88.9Confident3 Ų376.2 Ų76.22%0.01840%0.397CS..EExtended strand (participates in β ladder)trans-115.4128.9-176.8-168.70000109I102 F103 I104 F120 I159 M162 N163 I172I102-V174 HydrophobicContact CD1-CG1 3.89Å; F103-V174 WeakPolarHBondContact O-CA 3.46Å; I104-V174 HydrophobicContact CG1-CG1 4.42Å; I104-V174 HydrophobicContact CG1-CG2 4.48Å; I104-V174 HydrophobicContact CG2-CG2 4.38Å; F120-V174 HydrophobicContact CE1-CG1 4.24Å; F120-V174 HydrophobicContact CE1-CG2 4.49Å; F120-V174 HydrophobicContact CZ-CG2 4.18Å; I159-V174 HydrophobicContact CG1-CG1 3.89Å; M162-V174 HydrophobicContact CB-CG2 3.94Å; N163-V174 HydrophobicContact CB-CB 4.14Å; N163-V174 PolarHBondContact OD1-N 3.41Å; N163-V174 PolarHBondContact OD1-O 3.32Å; I172-V174 HydrophobicContact CD1-CG2 3.7Å; I172-V174 HydrophobicContact CG1-CG2 4.04Å
175S95.8Very high88Confident26 Ų2679.2 Ų79.218%0.18240%0.399CS..EExtended strand (participates in β ladder)trans-155.6168.117859.30000110.9I102 F103 A177I102-S175 CarbonylContact C-O 3.56Å; I102-S175 WeakPolarHBondContact CA-O 3.28Å; F103-S175 PolarHBondContact N-O 3.26Å; F103-S175 PolarHBondContact O-N 3.41Å; S175-A177 PolarHBondContact O-N 3.5Å
176Y94.7Very high87.3Confident28 Ų2880.3 Ų80.311%0.1140%0.399CS..EExtended strand (participates in β ladder)trans-61.5136.1171.1-82.9-76.1000111.8F152 S155 D156 I159 H187 R193F152-Y176 HydrophobicContact CD1-CE1 4.01Å; F152-Y176 HydrophobicContact CE1-CE1 4.21Å; S155-Y176 WeakPolarHBondContact CB-OH 3.46Å; D156-Y176 VanDerWaalsContact OD1-CE2 3.32Å; D156-Y176 WeakPolarHBondContact OD1-CE2 3.39Å; D156-Y176 PolarHBondContact OD1-OH 3.28Å; I159-Y176 HydrophobicContact CD1-CD2 3.53Å; I159-Y176 HydrophobicContact CD1-CE2 3.5Å; I159-Y176 VanDerWaalsContact CD1-CE2 3.5Å; I159-Y176 HydrophobicContact CD1-CG 4.09Å; Y176-H187 VanDerWaalsContact CB-O 3.26Å; Y176-H187 WeakPolarHBondContact CB-O 3.39Å; Y176-H187 HydrophobicContact CD1-CB 3.99Å; Y176-H187 WeakPolarHBondContact CD1-O 3.27Å; Y176-H187 VanDerWaalsContact CG-O 3.22Å; Y176-R193 PolarHBondContact OH-NH2 3.48Å; Y176-R193 VanDerWaalsContact OH-NH2 3.12Å
177A92.4Very high86.7Confident2 Ų274.1 Ų74.12%0.01738%0.375CS..PPolyproline II helixtrans-68.3150.4178.300000111.8N101 F103 F146 S175 R186 H187N101-A177 HydrophobicContact CB-CB 4.14Å; N101-A177 WeakPolarHBondContact O-CB 3.32Å; N101-A177 PolarHBondContact O-N 3.3Å; F103-A177 HydrophobicContact CB-CB 4.19Å; F146-A177 HydrophobicContact CD1-CB 3.67Å; F146-A177 HydrophobicContact CE1-CB 3.77Å; S175-A177 PolarHBondContact O-N 3.5Å; A177-R186 CarbonylContact O-C 3.52Å; A177-R186 WeakPolarHBondContact O-CA 3.28Å; A177-H187 PolarHBondContact O-CD2 3.4Å; A177-H187 PolarHBondContact O-N 2.97Å
178F87.5Confident85.9Confident112 Ų11274.2 Ų74.249%0.49138%0.38SS..BIsolated β-bridgetrans-73.9140.4169.6-67.9-77.5000110.9E185 R186F178-E185 WeakPolarHBondContact CA-O 3.38Å; F178-R186 HydrophobicContact CD1-CG 3.67Å; F178-R186 HydrophobicContact CE1-CG 3.64Å; F178-R186 HydrophobicContact CG-CG 4.39Å; F178-R186 HydrophobicContact CZ-CG 4.33Å
179K84Confident85.4Confident61 Ų6174 Ų7427%0.26538%0.376SS..PPolyproline II helixtrans-69.7136.7175.3-60.7-179.973.1154.20109D181 A182 E185 E192K179-D181 VanDerWaalsContact C-N 3.28Å; K179-D181 PolarHBondContact O-N 3.49Å; K179-A182 HydrophobicContact CB-CB 4.1Å; K179-E185 HydrophobicContact CD-CB 4.07Å; K179-E185 PolarHBondContact N-O 2.91Å; K179-E192 WeakPolarHBondContact CE-OE1 3.45Å; K179-E192 IonicContact NZ-OE1 2.73Å; K179-E192 PolarHBondContact NZ-OE1 3.2Å
180K75.8Confident84.8Confident197 Ų19772 Ų7286%0.85738%0.376SS*.SBendtrans-63.8-33-176.5-71.2-179.4-177.1167.30113.3
181D72.6Confident84.1Confident167 Ų16770.2 Ų70.289%0.89338%0.383SS*.SBendtrans-105.4-3.2-171.2-54.6-59.8000113.9K179K179-D181 VanDerWaalsContact C-N 3.28Å; K179-D181 PolarHBondContact O-N 3.49Å
182A69Low83.3Confident25 Ų2569 Ų6921%0.20737%0.373CS..SBendtrans-120.7116.3-178.100000110.9K179 G184 E185K179-A182 HydrophobicContact CB-CB 4.1Å; A182-G184 PolarHBondContact O-N 3.44Å; A182-E185 HydrophobicContact CB-CB 3.79Å; A182-E185 HydrophobicContact CB-CG 3.89Å; A182-E185 WeakPolarHBondContact CB-OE2 3.42Å; A182-E185 PolarHBondContact O-N 2.85Å
183K69.6Low82.6Confident218 Ų21873 Ų7395%0.94839%0.388SS*.THydrogen-bonded Turntrans-67.697.6-173.7-164.4178.4-177.1-178.20110.5
184G75.1Confident81.8Confident58 Ų5875.7 Ų75.760%0.59840%0.397SS*.THydrogen-bonded Turntrans93.9-1174.500000115.4A182A182-G184 PolarHBondContact O-N 3.44Å
185E77.8Confident80.9Confident107 Ų10781 Ų8150%0.543%0.425SS..PPolyproline II helixtrans-81.2134.7175.6-63.6-172.2158.800110.7F178 K179 A182F178-E185 WeakPolarHBondContact CA-O 3.38Å; K179-E185 HydrophobicContact CD-CB 4.07Å; K179-E185 PolarHBondContact N-O 2.91Å; A182-E185 HydrophobicContact CB-CB 3.79Å; A182-E185 HydrophobicContact CB-CG 3.89Å; A182-E185 WeakPolarHBondContact CB-OE2 3.42Å; A182-E185 PolarHBondContact O-N 2.85Å
186R81.2Confident80Confident128 Ų12880.7 Ų80.748%0.48342%0.424SS..BIsolated β-bridgetrans-95.4151.3171.6-64.6-175.7-176.6-174.90.8109.9A177 F178A177-R186 CarbonylContact O-C 3.52Å; A177-R186 WeakPolarHBondContact O-CA 3.28Å; F178-R186 HydrophobicContact CD1-CG 3.67Å; F178-R186 HydrophobicContact CE1-CG 3.64Å; F178-R186 HydrophobicContact CG-CG 4.39Å; F178-R186 HydrophobicContact CZ-CG 4.33Å
187H83Confident79.1Confident31 Ų3183.4 Ų83.414%0.14445%0.452CS..SBendtrans-58162.2163-80.7-61.9000111.8G99 N101 Y176 A177 E192G99-H187 WeakPolarHBondContact CA-ND1 3.41Å; G99-H187 WeakPolarHBondContact O-CB 3.15Å; G99-H187 PolarHBondContact O-ND1 3.26Å; N101-H187 PolarHBondContact ND2-NE2 3.3Å; Y176-H187 VanDerWaalsContact CB-O 3.26Å; Y176-H187 WeakPolarHBondContact CB-O 3.39Å; Y176-H187 HydrophobicContact CD1-CB 3.99Å; Y176-H187 WeakPolarHBondContact CD1-O 3.27Å; Y176-H187 VanDerWaalsContact CG-O 3.22Å; A177-H187 PolarHBondContact O-CD2 3.4Å; A177-H187 PolarHBondContact O-N 2.97Å; H187-E192 IonicContact ND1-OE1 3.27Å; H187-E192 PolarHBondContact ND1-OE1 2.9Å
188G77Confident78.1Confident15 Ų1590.2 Ų90.216%0.15548%0.484CS..  trans93.213.6178.400000114.5E192 R193G188-E192 PolarHBondContact N-OE2 2.96Å; G188-R193 PolarHBondContact O-NE 3.12Å
189T82Confident76.9Confident53 Ų5389 Ų8933%0.32548%0.483SS..  trans-63.1155.3178.862.90000111.5A191 E192 R193T189-A191 PolarHBondContact O-N 2.86Å; T189-E192 PolarHBondContact N-OE2 3.23Å; T189-E192 VanDerWaalsContact N-OE2 3.15Å; T189-E192 PolarHBondContact O-N 2.85Å; T189-E192 VanDerWaalsContact O-N 3.12Å; T189-E192 WeakPolarHBondContact OG1-CG 3.47Å; T189-E192 PolarHBondContact OG1-N 3.18Å; T189-E192 PolarHBondContact OG1-OE2 2.78Å; T189-R193 WeakPolarHBondContact O-CG 3.15Å; T189-R193 PolarHBondContact O-N 2.81Å
190A80.7Confident75.5Confident75 Ų7592.1 Ų92.162%0.6251%0.509SS*.Hα-helixtrans-56.2-35.1177.700000112.6R193 L194A190-R193 PolarHBondContact O-N 3.37Å; A190-L194 VanDerWaalsContact O-CG 3.28Å; A190-L194 WeakPolarHBondContact O-CG 3.47Å; A190-L194 PolarHBondContact O-N 2.7Å
191A79Confident74.6Confident62 Ų6285 Ų8551%0.51248%0.479SS..Hα-helixtrans-65.2-44.117700000112.7T189 L194 L195T189-A191 PolarHBondContact O-N 2.86Å; A191-L194 PolarHBondContact O-N 2.83Å; A191-L195 WeakPolarHBondContact O-CG 3.38Å; A191-L195 PolarHBondContact O-N 2.91Å
192E80.4Confident73.6Confident21 Ų2181.9 Ų81.910%0.09846%0.458CS..Hα-helixtrans-66-40.7177.7-69.6168.4154.700111.2F152 K179 H187 G188 T189 L194 L195 A196F152-E192 HydrophobicContact CE2-CB 4.12Å; F152-E192 WeakPolarHBondContact CE2-O 3.42Å; F152-E192 HydrophobicContact CZ-CB 3.63Å; K179-E192 WeakPolarHBondContact CE-OE1 3.45Å; K179-E192 IonicContact NZ-OE1 2.73Å; K179-E192 PolarHBondContact NZ-OE1 3.2Å; H187-E192 IonicContact ND1-OE1 3.27Å; H187-E192 PolarHBondContact ND1-OE1 2.9Å; G188-E192 PolarHBondContact N-OE2 2.96Å; T189-E192 PolarHBondContact N-OE2 3.23Å; T189-E192 VanDerWaalsContact N-OE2 3.15Å; T189-E192 PolarHBondContact O-N 2.85Å; T189-E192 VanDerWaalsContact O-N 3.12Å; T189-E192 WeakPolarHBondContact OG1-CG 3.47Å; T189-E192 PolarHBondContact OG1-N 3.18Å; T189-E192 PolarHBondContact OG1-OE2 2.78Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 3.01Å; E192-L195 PolarHBondContact O-N 3.33Å; E192-A196 WeakPolarHBondContact O-CB 3.45Å; E192-A196 PolarHBondContact O-N 2.93Å
193R82.5Confident72.4Confident89 Ų8986.6 Ų86.634%0.33649%0.487SS..Hα-helixtrans-59.5-41.8174.5-68.6175-179.4-102-0112F152 D156 Y176 G188 T189 A190 A196 A197F152-R193 HydrophobicContact CB-CG 4.27Å; F152-R193 HydrophobicContact CD1-CG 4.12Å; F152-R193 HydrophobicContact CD2-CB 4.3Å; F152-R193 HydrophobicContact CD2-CG 3.79Å; F152-R193 HydrophobicContact CE1-CG 4.49Å; F152-R193 HydrophobicContact CE2-CG 4.16Å; F152-R193 HydrophobicContact CG-CG 3.77Å; D156-R193 VanDerWaalsContact CG-NH2 3.28Å; D156-R193 IonicContact OD1-CZ 2.74Å; D156-R193 IonicContact OD1-NH1 2.96Å; D156-R193 IonicContact OD1-NH2 3.48Å; D156-R193 PolarHBondContact OD1-NH2 2.98Å; D156-R193 IonicContact OD2-CZ 3.1Å; D156-R193 VanDerWaalsContact OD2-CZ 3.27Å; D156-R193 IonicContact OD2-NH1 2.69Å; D156-R193 PolarHBondContact OD2-NH1 3.34Å; D156-R193 IonicContact OD2-NH2 2.77Å; D156-R193 PolarHBondContact OD2-NH2 3.34Å; Y176-R193 PolarHBondContact OH-NH2 3.48Å; Y176-R193 VanDerWaalsContact OH-NH2 3.12Å; G188-R193 PolarHBondContact O-NE 3.12Å; T189-R193 WeakPolarHBondContact O-CG 3.15Å; T189-R193 PolarHBondContact O-N 2.81Å; A190-R193 PolarHBondContact O-N 3.37Å; R193-A196 PolarHBondContact O-N 3.08Å; R193-A197 WeakPolarHBondContact O-CB 3.38Å; R193-A197 PolarHBondContact O-N 2.85Å
194L80.1Confident71.1Confident111 Ų11179.8 Ų79.858%0.58148%0.478SS*.Hα-helixtrans-67.6-36.4176.5-74169.5000113.1A190 A191 E192 Q198A190-L194 VanDerWaalsContact O-CG 3.28Å; A190-L194 WeakPolarHBondContact O-CG 3.47Å; A190-L194 PolarHBondContact O-N 2.7Å; A191-L194 PolarHBondContact O-N 2.83Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 3.01Å; L194-Q198 WeakPolarHBondContact O-CG 3.5Å; L194-Q198 PolarHBondContact O-N 3.38Å; L194-Q198 PolarHBondContact O-NE2 3.37Å
195L78.3Confident69.9Low115 Ų11583.8 Ų83.860%0.60249%0.486SS*.Hα-helixtrans-67.9-40.8175.1-75.2168.3000111.3A191 E192 Q198A191-L195 WeakPolarHBondContact O-CG 3.38Å; A191-L195 PolarHBondContact O-N 2.91Å; E192-L195 PolarHBondContact O-N 3.33Å; L195-Q198 PolarHBondContact O-N 3.32Å
196A76.5Confident68.4Low19 Ų1989.7 Ų89.716%0.15750%0.504CS..Hα-helixtrans-64.1-42.1175.600000112.1I98 F152 E192 R193 Q198 N199I98-A196 HydrophobicContact CB-CB 4.08Å; I98-A196 HydrophobicContact CD1-CB 3.72Å; I98-A196 HydrophobicContact CG1-CB 4.49Å; I98-A196 HydrophobicContact CG2-CB 4.26Å; F152-A196 HydrophobicContact CD2-CB 3.86Å; F152-A196 HydrophobicContact CE2-CB 3.76Å; E192-A196 WeakPolarHBondContact O-CB 3.45Å; E192-A196 PolarHBondContact O-N 2.93Å; R193-A196 PolarHBondContact O-N 3.08Å; A196-Q198 PolarHBondContact O-N 3.48Å; A196-N199 PolarHBondContact O-N 2.88Å
197A75.9Confident66.8Low86 Ų8686.5 Ų86.571%0.71150%0.5SS*.Hα-helixtrans-63.1-25178.700000113.7R193 N199R193-A197 WeakPolarHBondContact O-CB 3.38Å; R193-A197 PolarHBondContact O-N 2.85Å; A197-N199 VanDerWaalsContact C-N 3.35Å
198Q71.7Confident65.1Low145 Ų14593.1 Ų93.168%0.67853%0.53SS*.THydrogen-bonded Turntrans-82.4-11.2176.4-74172.277.200113.4L194 L195 A196 P200L194-Q198 WeakPolarHBondContact O-CG 3.5Å; L194-Q198 PolarHBondContact O-N 3.38Å; L194-Q198 PolarHBondContact O-NE2 3.37Å; L195-Q198 PolarHBondContact O-N 3.32Å; A196-Q198 PolarHBondContact O-N 3.48Å; Q198-P200 VanDerWaalsContact O-CD 3.32Å; Q198-P200 WeakPolarHBondContact O-CD 3.33Å
199N63.4Low63.8Low87 Ų87100.9 Ų100.947%0.46556%0.562SS.*  trans-108.896.2179.1-87.2-22.1000110.9A196 A197 I201A196-N199 PolarHBondContact O-N 2.88Å; A197-N199 VanDerWaalsContact C-N 3.35Å; N199-I201 VanDerWaalsContact C-N 3.33Å; N199-I201 HydrophobicContact CB-CD1 4.28Å; N199-I201 HydrophobicContact CB-CG1 4.25Å; N199-I201 PolarHBondContact O-N 2.67Å
200P54.5Low62.2Low125 Ų125104.5 Ų104.581%0.81258%0.579SS**  trans-79.379.7177.232.6-33.5000110.1Q198Q198-P200 VanDerWaalsContact O-CD 3.32Å; Q198-P200 WeakPolarHBondContact O-CD 3.33Å
201I56.3Low60.7Low47 Ų47111.1 Ų111.124%0.24159%0.594CS.*  trans-95.9-18.6-179.7-56.4-177.9000112.2Q93 L96 N199Q93-I201 HydrophobicContact CG-CG2 4.27Å; L96-I201 HydrophobicContact CB-CD1 4.38Å; L96-I201 HydrophobicContact CD1-CD1 3.39Å; L96-I201 HydrophobicContact CG-CD1 4.49Å; N199-I201 VanDerWaalsContact C-N 3.33Å; N199-I201 HydrophobicContact CB-CD1 4.28Å; N199-I201 HydrophobicContact CB-CG1 4.25Å; N199-I201 PolarHBondContact O-N 2.67Å
202F51.6Low59.1Low102 Ų102112.4 Ų112.445%0.44761%0.605SS.*  trans-139.5113.6178.2-65.5-79.4000111.7A150A150-F202 HydrophobicContact CB-CD2 4.01Å; A150-F202 HydrophobicContact CB-CE2 3.96Å
203P43.2Very low57.2Low124 Ų124119.3 Ų119.381%0.80564%0.643SS**  trans-66.9131.5158.72.812000108D205P203-D205 PolarHBondContact O-N 3.39Å
204G43.7Very low55.6Low75 Ų75118.8 Ų118.877%0.77366%0.658SS**  trans-51.4105.7-167.200000115.5R206G204-R206 PolarHBondContact O-N 3.17Å
205D48.6Very low54Low143 Ų143118.7 Ų118.777%0.76566%0.663SS**  trans-75.5105.1159.3-105.2-23.8000107.8P203 P207P203-D205 PolarHBondContact O-N 3.39Å; D205-P207 WeakPolarHBondContact O-CD 3.23Å
206R46Very low52.7Low230 Ų230119.2 Ų119.287%0.86867%0.674SS**  trans-68.5124.1174.1-64.4178.7-175.1166.31.4108.2G204 H208G204-R206 PolarHBondContact O-N 3.17Å; R206-H208 PolarHBondContact O-N 3.13Å
207P48.4Very low51.9Low61 Ų61125.9 Ų125.940%0.39671%0.705SS.*  trans-61.7140.1173.223.5-30.5000110.5A122 D205 Q209A122-P207 WeakPolarHBondContact O-CB 3.34Å; A122-P207 VanDerWaalsContact O-CG 3.24Å; A122-P207 WeakPolarHBondContact O-CG 3.36Å; D205-P207 WeakPolarHBondContact O-CD 3.23Å; P207-Q209 PolarHBondContact O-N 3Å
208H46.6Very low51Low171 Ų171127 Ų12779%0.79271%0.705SS**  trans-53107.2175.6-105.823.4000110.7R206 L210R206-H208 PolarHBondContact O-N 3.13Å; H208-L210 PolarHBondContact O-N 3.33Å
209Q49.7Very low50.4Low177 Ų177125.7 Ų125.783%0.82771%0.712SS**  trans-75.525.4176.9-68.2-171.5-11.400114.1P207 F211P207-Q209 PolarHBondContact O-N 3Å; Q209-F211 PolarHBondContact O-N 3.2Å
210L48.4Very low50.1Low130 Ų130128.8 Ų128.868%0.68173%0.727SS**THydrogen-bonded Turntrans-77.615.1-167.5-93.3159.7000115.8H208H208-L210 PolarHBondContact O-N 3.33Å
211F50.5Low49.9Very low213 Ų213127.5 Ų127.593%0.93472%0.719SS**THydrogen-bonded Turntrans-130.818.3176.7-80.4-76.6000115.4Q209Q209-F211 PolarHBondContact O-N 3.2Å
212A44Very low49.8Very low89 Ų89133.8 Ų133.874%0.73675%0.752SS**  trans-105.956.4173.900000112A214A212-A214 VanDerWaalsContact C-N 3.26Å; A212-A214 PolarHBondContact O-N 3.27Å
213D41.3Very low50Low166 Ų166138 Ų13889%0.88877%0.77SS**  trans-93.763.3163.7-133.1-33.7000108.5
214A48.6Very low50.5Low79 Ų79136.4 Ų136.465%0.65377%0.767SS**PPolyproline II helixtrans-86.7129.4166.200000107.6A212A212-A214 VanDerWaalsContact C-N 3.26Å; A212-A214 PolarHBondContact O-N 3.27Å
215P47.8Very low51Low108 Ų108141.6 Ų141.670%0.70177%0.771SS**PPolyproline II helixtrans-62.8145.5-176.825.6-32.4000110.5I217P215-I217 PolarHBondContact O-N 3.1Å
216P51.1Low51.6Low127 Ų127140.5 Ų140.583%0.82577%0.772SS**PPolyproline II helixtrans-62123.9-177.824.8-32.6000110.1
217I59.9Low52.1Low158 Ų158133.9 Ų133.981%0.8177%0.767SS**PPolyproline II helixtrans-66124.6171.5-52.6166.3000107P215 S219P215-I217 PolarHBondContact O-N 3.1Å; I217-S219 PolarHBondContact O-N 2.69Å
218P56.1Low52.1Low109 Ų109136.1 Ų136.171%0.70879%0.79SS**PPolyproline II helixtrans-65.4124.5177.924.4-31000110.2I220P218-I220 PolarHBondContact O-N 3.22Å
219S58.1Low52.7Low118 Ų118133.3 Ų133.383%0.82579%0.79SS**  trans-64.3112.1174.433.50000110.5I217I217-S219 PolarHBondContact O-N 2.69Å
220I57.8Low52.5Low152 Ų152128.4 Ų128.478%0.77979%0.787SS**  trans-77.1123.7170.8-59.5167.9000107.6P218 L222P218-I220 PolarHBondContact O-N 3.22Å; I220-L222 PolarHBondContact O-N 3.43Å
221P50.1Low52.8Low99 Ų99129.4 Ų129.464%0.64379%0.793SS**  trans-71.4117.5176.427-30.1000110F223P221-F223 PolarHBondContact O-N 2.91Å
222L55Low52.5Low178 Ų178126.4 Ų126.493%0.93279%0.786SS**  trans-69.294.4168.8-134.988.5000108I220 A224I220-L222 PolarHBondContact O-N 3.43Å; L222-A224 PolarHBondContact O-N 3.48Å
223F54.7Low52.8Low191 Ų191136 Ų13684%0.83881%0.811SS**PPolyproline II helixtrans-73.8120.4170.7-107.4-87.9000109.5P221P221-F223 PolarHBondContact O-N 2.91Å
224A53.7Low53.3Low90 Ų90134.5 Ų134.574%0.74481%0.808SS**PPolyproline II helixtrans-61.8129.4-17800000112.2L222L222-A224 PolarHBondContact O-N 3.48Å
225H55.7Low53.6Low185 Ų185137.4 Ų137.486%0.85682%0.816SS**PPolyproline II helixtrans-70.2129.9165-114.4-82.2000109.4
226P59.5Low53.9Low119 Ų119139.1 Ų139.177%0.77382%0.822SS**PPolyproline II helixtrans-75.7131.8171.629.6-30.4000110
227A56.7Low54.1Low92 Ų92139.8 Ų139.876%0.7682%0.822SS**PPolyproline II helixtrans-69.4127.517500000110.4S229A227-S229 PolarHBondContact O-N 2.87Å
228A49.6Very low53.7Low107 Ų107138.6 Ų138.688%0.88482%0.823SS**  trans-76.3105.2169.400000109.1
229S58.7Low53.6Low112 Ų112140.6 Ų140.678%0.78383%0.83SS**  trans-104.7114.6164.8-68.30000108A227A227-S229 PolarHBondContact O-N 2.87Å
230G44.8Very low53.2Low75 Ų75142.2 Ų142.277%0.77383%0.831SS**  trans-66.5149.6173.700000112.2
231N55.1Low52.9Low150 Ų150141.5 Ų141.580%0.80284%0.835SS**  trans-151.6112154.5-128.34.4000110.6
232L44.2Very low53.1Low150 Ų150145 Ų14579%0.78585%0.851SS**  trans32.1110.4138.7-61.6163.9000119.4
233F49.7Very low52.9Low291 Ų291142 Ų142100%1.27684%0.843SS**  trans-143.60130.4-91.8-78.1000108.9

Retrieved 233 of 233 residues in 49.4 ms (Link to these results)

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