A0A3Q0KGA2_SCHMA Loading...

Ribonuclease pH related

AlphaFold DB , UniProt , Accession A0A3Q0KGA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 239 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
1M33.7Very low71Confident248 Ų24897.8 Ų97.8100%1.22254%0.541SS*.  094.30-68.4177.6175.100106.3N3M1-N3 PolarHBondContact O-N 3.32Å
2T41.5Very low72.6Confident125 Ų12596.4 Ų96.477%0.76753%0.532SS*.  trans-63.5131.4176.444.20000107.9S4T2-S4 PolarHBondContact O-N 3.13Å; T2-S4 PolarHBondContact O-OG 3.35Å
3N41.2Very low74Confident141 Ų14193 Ų9375%0.75452%0.516SS*.  trans-6493.1-177.1-146.79.7000108.2M1 T5 S6M1-N3 PolarHBondContact O-N 3.32Å; N3-T5 PolarHBondContact O-N 3.14Å; N3-S6 PolarHBondContact O-N 3.48Å
4S49.4Very low75.5Confident84 Ų8488.9 Ų88.959%0.58749%0.492SS*.THydrogen-bonded Turntrans-68.512.5-164.8-49.10000115.6T2 A26T2-S4 PolarHBondContact O-N 3.13Å; T2-S4 PolarHBondContact O-OG 3.35Å; S4-A26 WeakPolarHBondContact O-CA 3.21Å
5T64.2Low76.5Confident99 Ų9990.9 Ų90.961%0.60751%0.514SS*.THydrogen-bonded Turntrans-108.219.8178.5480000112.6N3 L7N3-T5 PolarHBondContact O-N 3.14Å; T5-L7 PolarHBondContact O-N 3.01Å
6S82.9Confident77.7Confident88 Ų8893.4 Ų93.462%0.61553%0.525SS*.  trans-72.5118.3167.458.30000109.6N3N3-S6 PolarHBondContact O-N 3.48Å
7L91.4Very high78.8Confident61 Ų6188.8 Ų88.832%0.31950%0.502SS..  trans-76.6123166.5174.959.9000108.6T5 I9 W23 F25 L225 A228T5-L7 PolarHBondContact O-N 3.01Å; L7-I9 HydrophobicContact CD1-CD1 4.06Å; L7-I9 HydrophobicContact CD1-CG1 3.83Å; L7-I9 HydrophobicContact CD2-CD1 3.84Å; L7-I9 HydrophobicContact CD2-CG1 4.43Å; L7-I9 HydrophobicContact CG-CD1 3.9Å; L7-I9 HydrophobicContact CG-CG1 3.93Å; L7-W23 HydrophobicContact CD1-CD2 4.34Å; L7-W23 HydrophobicContact CD1-CH2 4.16Å; L7-W23 HydrophobicContact CD1-CZ2 3.56Å; L7-W23 HydrophobicContact CD2-CH2 4.49Å; L7-W23 HydrophobicContact CD2-CZ2 4.43Å; L7-F25 HydrophobicContact CB-CD2 3.97Å; L7-F25 HydrophobicContact CB-CE2 4.48Å; L7-F25 HydrophobicContact CD1-CB 3.97Å; L7-F25 HydrophobicContact CD1-CD2 4.04Å; L7-F25 HydrophobicContact CD1-CG 4.31Å; L7-L225 HydrophobicContact CD2-CD2 4.16Å; L7-A228 HydrophobicContact CD2-CB 3.82Å
8F93.9Very high79.8Confident97 Ų9787.7 Ų87.743%0.42549%0.493SS..EExtended strand (participates in β ladder)trans-116.2128.1171.4173.1-93.2000109.1E10 T22 D24F8-E10 HydrophobicContact CE1-CB 4.07Å; F8-E10 HydrophobicContact CZ-CB 3.99Å; F8-T22 HydrophobicContact CD1-CG2 4.47Å; F8-T22 HydrophobicContact CE1-CG2 4.12Å; F8-D24 HydrophobicContact CB-CB 4.2Å; F8-D24 HydrophobicContact CD1-CB 4.23Å; F8-D24 PolarHBondContact N-O 3.5Å; F8-D24 PolarHBondContact O-N 3.15Å
9I94.8Very high80.6Confident15 Ų1583.1 Ų83.18%0.07747%0.467CS..EExtended strand (participates in β ladder)trans-133.8134.4-179.7-58.3169.6000107.2L7 T22 W23 L118 A228 Q232L7-I9 HydrophobicContact CD1-CD1 4.06Å; L7-I9 HydrophobicContact CD1-CG1 3.83Å; L7-I9 HydrophobicContact CD2-CD1 3.84Å; L7-I9 HydrophobicContact CD2-CG1 4.43Å; L7-I9 HydrophobicContact CG-CD1 3.9Å; L7-I9 HydrophobicContact CG-CG1 3.93Å; I9-T22 WeakPolarHBondContact CA-O 3.37Å; I9-W23 HydrophobicContact CD1-CE3 3.96Å; I9-W23 HydrophobicContact CD1-CH2 3.72Å; I9-W23 HydrophobicContact CD1-CZ3 3.39Å; I9-W23 HydrophobicContact CG1-CD2 4.32Å; I9-W23 HydrophobicContact CG1-CE3 3.78Å; I9-W23 HydrophobicContact CG1-CH2 4.31Å; I9-W23 HydrophobicContact CG1-CZ3 3.77Å; I9-W23 HydrophobicContact CG2-CE3 4.44Å; I9-L118 HydrophobicContact CG2-CD2 3.28Å; I9-A228 HydrophobicContact CD1-CB 4.09Å; I9-Q232 HydrophobicContact CB-CG 3.96Å; I9-Q232 HydrophobicContact CD1-CG 4.38Å; I9-Q232 HydrophobicContact CG2-CB 4.3Å; I9-Q232 HydrophobicContact CG2-CG 3.8Å
10E94.1Very high81.5Confident98 Ų9878.9 Ų78.946%0.45844%0.444SS..EExtended strand (participates in β ladder)trans-136.3137.2172.8-173.5-179.9-176.900108.9F8 T13 A21 T22F8-E10 HydrophobicContact CE1-CB 4.07Å; F8-E10 HydrophobicContact CZ-CB 3.99Å; E10-T13 HydrophobicContact CB-CG2 4.06Å; E10-T13 HydrophobicContact CG-CG2 3.73Å; E10-A21 CarbonylContact O-C 3.54Å; E10-A21 WeakPolarHBondContact O-CA 3.15Å; E10-T22 PolarHBondContact N-O 2.84Å; E10-T22 VanDerWaalsContact N-O 3.11Å; E10-T22 PolarHBondContact O-N 3.12Å
11T94.5Very high82.2Confident20 Ų2075.1 Ų75.112%0.12342%0.423CS..EExtended strand (participates in β ladder)trans-107154.8-176.854.90000110.7T13 L118 L122 Q232 T236T11-T13 VanDerWaalsContact C-N 3.31Å; T11-T13 PolarHBondContact O-N 3.05Å; T11-L118 HydrophobicContact CG2-CD1 4.38Å; T11-L118 HydrophobicContact CG2-CD2 4.07Å; T11-L118 HydrophobicContact CG2-CG 4.36Å; T11-L122 HydrophobicContact CG2-CD1 3.73Å; T11-L122 HydrophobicContact CG2-CD2 4.41Å; T11-Q232 HydrophobicContact CG2-CB 4.06Å; T11-T236 PolarHBondContact OG1-OG1 2.94Å
12N90.1Very high85.3Confident81 Ų8163.6 Ų63.643%0.43337%0.367SS..  trans5839.1175.8-61-33.1000114D14 S20N12-D14 PolarHBondContact O-N 3.21Å; N12-S20 VanDerWaalsContact C-OG 3.27Å; N12-S20 VanDerWaalsContact CA-OG 3.25Å; N12-S20 WeakPolarHBondContact CA-OG 3.29Å; N12-S20 PolarHBondContact N-O 2.81Å
13T90.3Very high87.9Confident52 Ų5257.7 Ų57.732%0.31933%0.33SS..  trans-70.3-18.6179.554.60000114.1E10 T11 S20 T22E10-T13 HydrophobicContact CB-CG2 4.06Å; E10-T13 HydrophobicContact CG-CG2 3.73Å; T11-T13 VanDerWaalsContact C-N 3.31Å; T11-T13 PolarHBondContact O-N 3.05Å; T13-S20 PolarHBondContact N-OG 3.24Å; T13-T22 WeakPolarHBondContact CG2-OG1 3.3Å
14D94.9Very high90.5Very high35 Ų3553.2 Ų53.219%0.18731%0.306CS..  trans-119.3114.5170.6-175.3-7.1000110.2N12 N16 A17 S20 S33 Y35N12-D14 PolarHBondContact O-N 3.21Å; D14-N16 VanDerWaalsContact C-N 3.27Å; D14-N16 PolarHBondContact O-N 3.47Å; D14-N16 PolarHBondContact OD1-N 3.13Å; D14-N16 PolarHBondContact OD1-ND2 3.23Å; D14-A17 HydrophobicContact CB-CB 4.01Å; D14-A17 PolarHBondContact O-N 3.47Å; D14-S20 PolarHBondContact N-OG 2.84Å; D14-S20 PolarHBondContact O-OG 2.93Å; D14-S33 WeakPolarHBondContact CB-OG 3.49Å; D14-Y35 VanDerWaalsContact OD2-CZ 3.3Å; D14-Y35 PolarHBondContact OD2-OH 3.03Å
15C91.1Very high92.6Very high120 Ų12053.3 Ų53.381%0.81130%0.296SS*.THydrogen-bonded Turntrans-73.6-13.4-178.560.40000114.4
16N94.9Very high93.8Very high130 Ų13049.9 Ų49.970%0.69528%0.278SS*.THydrogen-bonded Turntrans-93-10.3176.1-56.2-69.9000112.4D14 Y35D14-N16 VanDerWaalsContact C-N 3.27Å; D14-N16 PolarHBondContact O-N 3.47Å; D14-N16 PolarHBondContact OD1-N 3.13Å; D14-N16 PolarHBondContact OD1-ND2 3.23Å; N16-Y35 HydrophobicContact CB-CE1 4.4Å
17A96.9Very high94.1Very high16 Ų1647.9 Ų47.913%0.13227%0.271CS..SBendtrans-84.7147.6177.800000110.3D14 G19 I34 Y35D14-A17 HydrophobicContact CB-CB 4.01Å; D14-A17 PolarHBondContact O-N 3.47Å; A17-G19 PolarHBondContact O-N 3.18Å; A17-I34 WeakPolarHBondContact CA-O 3.46Å; A17-I34 WeakPolarHBondContact CB-O 3.43Å; A17-Y35 HydrophobicContact CB-CD1 4.11Å; A17-Y35 HydrophobicContact CB-CE1 3.82Å
18I96.2Very high94.2Very high68 Ų6845.8 Ų45.835%0.34926%0.26SS..SBendtrans-71.7-23.6170.953.6162.2000111.4I34 G36 S123 L125I18-I34 HydrophobicContact CD1-CG1 4.37Å; I18-I34 HydrophobicContact CG1-CG1 4.45Å; I18-I34 HydrophobicContact CG1-CG2 4.15Å; I18-I34 VanDerWaalsContact CG1-O 3.23Å; I18-I34 WeakPolarHBondContact CG1-O 3.42Å; I18-I34 PolarHBondContact N-O 3.46Å; I18-G36 WeakPolarHBondContact CD1-O 3.35Å; I18-G36 VanDerWaalsContact CG2-O 3.3Å; I18-G36 WeakPolarHBondContact CG2-O 3.38Å; I18-S123 WeakPolarHBondContact O-CA 3.46Å; I18-L125 HydrophobicContact CD1-CD1 3.91Å; I18-L125 HydrophobicContact CD1-CD2 4.1Å; I18-L125 HydrophobicContact CD1-CG 4.08Å
19G96.7Very high94.4Very high0 Ų043 Ų430%025%0.248CC..EExtended strand (participates in β ladder)trans-155.3139.7169.100000109.9A17 I34A17-G19 PolarHBondContact O-N 3.18Å; G19-I34 VanDerWaalsContact O-CG2 3.28Å; G19-I34 WeakPolarHBondContact O-CG2 3.49Å; G19-I34 PolarHBondContact O-N 2.77Å
20S97.6Very high94.5Very high0 Ų042.3 Ų42.30%025%0.245CC..EExtended strand (participates in β ladder)trans-147.6148.9175.653.90000111.2N12 T13 D14 F32 L122N12-S20 VanDerWaalsContact C-OG 3.27Å; N12-S20 VanDerWaalsContact CA-OG 3.25Å; N12-S20 WeakPolarHBondContact CA-OG 3.29Å; N12-S20 PolarHBondContact N-O 2.81Å; T13-S20 PolarHBondContact N-OG 3.24Å; D14-S20 PolarHBondContact N-OG 2.84Å; D14-S20 PolarHBondContact O-OG 2.93Å; S20-F32 CarbonylContact C-O 3.58Å; S20-F32 VanDerWaalsContact CA-O 3.22Å; S20-F32 WeakPolarHBondContact CA-O 3.47Å; S20-L122 WeakPolarHBondContact O-CD1 3.36Å
21A97.3Very high94.7Very high0 Ų039.2 Ų39.20%023%0.232CC..EExtended strand (participates in β ladder)trans-149.1140.9-17900000111.1E10 F32 L118 A119E10-A21 CarbonylContact O-C 3.54Å; E10-A21 WeakPolarHBondContact O-CA 3.15Å; A21-F32 PolarHBondContact N-O 3.39Å; A21-F32 PolarHBondContact O-N 3.23Å; A21-L118 HydrophobicContact CB-CB 3.93Å; A21-L118 HydrophobicContact CB-CD2 3.89Å; A21-L118 HydrophobicContact CB-CG 3.81Å; A21-A119 HydrophobicContact CB-CB 4.2Å
22T97.1Very high94.9Very high6 Ų638.2 Ų38.24%0.03723%0.226CC..EExtended strand (participates in β ladder)trans-105.3133.6168.4-67.80000109F8 I9 E10 T13 H29 V31F8-T22 HydrophobicContact CD1-CG2 4.47Å; F8-T22 HydrophobicContact CE1-CG2 4.12Å; I9-T22 WeakPolarHBondContact CA-O 3.37Å; E10-T22 PolarHBondContact N-O 2.84Å; E10-T22 VanDerWaalsContact N-O 3.11Å; E10-T22 PolarHBondContact O-N 3.12Å; T13-T22 WeakPolarHBondContact CG2-OG1 3.3Å; T22-H29 WeakPolarHBondContact CG2-NE2 3.44Å; T22-V31 HydrophobicContact CG2-CG2 4.16Å; T22-V31 WeakPolarHBondContact OG1-CG2 3.44Å
23W96.8Very high95.3Very high1 Ų134.8 Ų34.80%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-131.3118179.4-168.3-76.6000109.7L7 I9 H29 V30 A111 N114 A115 L225 M229L7-W23 HydrophobicContact CD1-CD2 4.34Å; L7-W23 HydrophobicContact CD1-CH2 4.16Å; L7-W23 HydrophobicContact CD1-CZ2 3.56Å; L7-W23 HydrophobicContact CD2-CH2 4.49Å; L7-W23 HydrophobicContact CD2-CZ2 4.43Å; I9-W23 HydrophobicContact CD1-CE3 3.96Å; I9-W23 HydrophobicContact CD1-CH2 3.72Å; I9-W23 HydrophobicContact CD1-CZ3 3.39Å; I9-W23 HydrophobicContact CG1-CD2 4.32Å; I9-W23 HydrophobicContact CG1-CE3 3.78Å; I9-W23 HydrophobicContact CG1-CH2 4.31Å; I9-W23 HydrophobicContact CG1-CZ3 3.77Å; I9-W23 HydrophobicContact CG2-CE3 4.44Å; W23-H29 CarbonylContact O-C 3.59Å; W23-H29 WeakPolarHBondContact O-CA 3.36Å; W23-V30 HydrophobicContact CB-CG2 4.12Å; W23-V30 PolarHBondContact N-O 3.41Å; W23-V30 PolarHBondContact O-N 2.88Å; W23-A111 HydrophobicContact CG-CB 4.47Å; W23-N114 HydrophobicContact CD2-CB 3.59Å; W23-N114 HydrophobicContact CE3-CB 3.76Å; W23-N114 HydrophobicContact CG-CB 4.22Å; W23-N114 HydrophobicContact CH2-CB 3.9Å; W23-N114 HydrophobicContact CZ2-CB 3.72Å; W23-N114 HydrophobicContact CZ3-CB 3.91Å; W23-A115 HydrophobicContact CB-CB 3.9Å; W23-L225 HydrophobicContact CH2-CD2 4.19Å; W23-L225 HydrophobicContact CZ2-CD2 3.88Å; W23-M229 HydrophobicContact CE3-CE 4.39Å; W23-M229 HydrophobicContact CH2-CE 3.67Å; W23-M229 HydrophobicContact CH2-CG 4.18Å; W23-M229 HydrophobicContact CZ3-CE 3.55Å; W23-M229 HydrophobicContact CZ3-CG 3.76Å
24D95.6Very high95.7Very high47 Ų4732.3 Ų32.325%0.25119%0.193SC..EExtended strand (participates in β ladder)trans-124.4115.9171.5-176.55.8000110F8 H29F8-D24 HydrophobicContact CB-CB 4.2Å; F8-D24 HydrophobicContact CD1-CB 4.23Å; F8-D24 PolarHBondContact N-O 3.5Å; F8-D24 PolarHBondContact O-N 3.15Å; D24-H29 HydrophobicContact CB-CB 3.84Å
25F93.8Very high95.8Very high85 Ų8532.4 Ų32.437%0.37319%0.191SC..EExtended strand (participates in β ladder)trans-143.6132.4176.7-176.7-111.4000110.8L7 G27 H28L7-F25 HydrophobicContact CB-CD2 3.97Å; L7-F25 HydrophobicContact CB-CE2 4.48Å; L7-F25 HydrophobicContact CD1-CB 3.97Å; L7-F25 HydrophobicContact CD1-CD2 4.04Å; L7-F25 HydrophobicContact CD1-CG 4.31Å; F25-G27 PolarHBondContact O-N 3.15Å; F25-G27 VanDerWaalsContact O-N 3.17Å; F25-H28 PolarHBondContact N-O 3.19Å; F25-H28 PolarHBondContact O-N 2.88Å
26A88.2Confident96Very high28 Ų2827.2 Ų27.223%0.23116%0.158CC..THydrogen-bonded Turntrans54.133.8176.500000114.3S4 H28S4-A26 WeakPolarHBondContact O-CA 3.21Å; A26-H28 VanDerWaalsContact C-N 3.34Å; A26-H28 PolarHBondContact O-CD2 3.36Å
27G90.3Very high96Very high46 Ų4624 Ų2447%0.47414%0.144SC..THydrogen-bonded Turntrans81.88.4-179.700000114.8F25 T100F25-G27 PolarHBondContact O-N 3.15Å; F25-G27 VanDerWaalsContact O-N 3.17Å; G27-T100 WeakPolarHBondContact O-CB 3.36Å; G27-T100 PolarHBondContact O-OG1 2.98Å
28H94.3Very high96Very high17 Ų1727.2 Ų27.28%0.07916%0.159CC..EExtended strand (participates in β ladder)trans-109.399.2174.7-64.4-91.1000109.4F25 A26 H105 R107 T108 A111F25-H28 PolarHBondContact N-O 3.19Å; F25-H28 PolarHBondContact O-N 2.88Å; A26-H28 VanDerWaalsContact C-N 3.34Å; A26-H28 PolarHBondContact O-CD2 3.36Å; H28-H105 AromaticContact CE1-CE1 3.74Å; H28-H105 AromaticContact CE1-CG 3.76Å; H28-H105 AromaticContact CE1-ND1 3.28Å; H28-H105 PolarHBondContact CE1-ND1 3.24Å; H28-H105 VanDerWaalsContact CE1-ND1 3.28Å; H28-H105 AromaticContact NE2-CE1 3.73Å; H28-H105 AromaticContact NE2-ND1 3.68Å; H28-R107 VanDerWaalsContact CD2-CB 3.42Å; H28-R107 WeakPolarHBondContact CD2-CB 3.41Å; H28-R107 WeakPolarHBondContact NE2-CB 3.48Å; H28-T108 PolarHBondContact CE1-OG1 2.88Å; H28-T108 PolarHBondContact ND1-N 3.1Å; H28-T108 PolarHBondContact ND1-OG1 3.31Å; H28-A111 HydrophobicContact CB-CB 4.29Å
29H96.2Very high96Very high39 Ų3932.8 Ų32.818%0.18118%0.184CC..EExtended strand (participates in β ladder)trans-105.9122-178.8179.4-167.1000109.8T22 W23 D24 V99 T100T22-H29 WeakPolarHBondContact CG2-NE2 3.44Å; W23-H29 CarbonylContact O-C 3.59Å; W23-H29 WeakPolarHBondContact O-CA 3.36Å; D24-H29 HydrophobicContact CB-CB 3.84Å; H29-V99 HydrophobicContact CB-CB 4.02Å; H29-V99 WeakPolarHBondContact ND1-CB 3.31Å; H29-V99 WeakPolarHBondContact ND1-CG1 3.47Å; H29-V99 WeakPolarHBondContact O-CA 3.24Å; H29-V99 WeakPolarHBondContact O-CB 3.43Å; H29-V99 PolarHBondContact O-N 3.01Å; H29-T100 HydrophobicContact CB-CG2 4.29Å; H29-T100 WeakPolarHBondContact CB-OG1 3.5Å; H29-T100 PolarHBondContact N-O 2.98Å; H29-T100 PolarHBondContact N-OG1 3.37Å; H29-T100 PolarHBondContact O-N 2.85Å
30V97.8Very high96Very high0 Ų033.2 Ų33.20%019%0.187CC..EExtended strand (participates in β ladder)trans-133.7151.8177.3-58.20000110.5W23 L96 F97 I98 T108 A111 A115W23-V30 HydrophobicContact CB-CG2 4.12Å; W23-V30 PolarHBondContact N-O 3.41Å; W23-V30 PolarHBondContact O-N 2.88Å; V30-L96 HydrophobicContact CB-CD1 4.05Å; V30-L96 HydrophobicContact CG2-CD1 4.4Å; V30-F97 CarbonylContact C-O 3.58Å; V30-F97 WeakPolarHBondContact CA-O 3.37Å; V30-I98 HydrophobicContact CG1-CG1 4.38Å; V30-T108 HydrophobicContact CG1-CG2 3.92Å; V30-A111 HydrophobicContact CG1-CB 4.37Å; V30-A111 HydrophobicContact CG2-CB 3.85Å; V30-A115 HydrophobicContact CG2-CB 3.93Å
31V98.1Very high95.9Very high32 Ų3240.9 Ų40.919%0.19422%0.221CC..EExtended strand (participates in β ladder)trans-122.8130.9173.2-174.80000107.7T22 L96 F97 V99T22-V31 HydrophobicContact CG2-CG2 4.16Å; T22-V31 WeakPolarHBondContact OG1-CG2 3.44Å; V31-L96 WeakPolarHBondContact O-CA 3.16Å; V31-F97 HydrophobicContact CB-CB 4.44Å; V31-F97 PolarHBondContact N-O 2.91Å; V31-F97 PolarHBondContact O-N 3.49Å; V31-V99 HydrophobicContact CG2-CG2 3.9Å
32F98.6Very high95.7Very high0 Ų048 Ų480%026%0.257CS..EExtended strand (participates in β ladder)trans-125.5136.3176.6-175.6-94.4000111.1S20 A21 I34 M78 R95 L96 A115 I116 A119S20-F32 CarbonylContact C-O 3.58Å; S20-F32 VanDerWaalsContact CA-O 3.22Å; S20-F32 WeakPolarHBondContact CA-O 3.47Å; A21-F32 PolarHBondContact N-O 3.39Å; A21-F32 PolarHBondContact O-N 3.23Å; F32-I34 HydrophobicContact CE1-CB 4.04Å; F32-M78 HydrophobicContact CE1-CE 4.37Å; F32-M78 HydrophobicContact CE1-SD 4.41Å; F32-M78 HydrophobicContact CE2-SD 4.07Å; F32-M78 HydrophobicContact CZ-CE 3.77Å; F32-M78 HydrophobicContact CZ-SD 3.48Å; F32-M78 WeakPolarHBondContact CZ-SD 3.3Å; F32-R95 WeakPolarHBondContact CA-O 3.3Å; F32-R95 WeakPolarHBondContact CD2-O 3.47Å; F32-L96 HydrophobicContact CB-CD1 4.08Å; F32-L96 HydrophobicContact CD2-CB 4Å; F32-L96 HydrophobicContact CD2-CD1 4.08Å; F32-A115 HydrophobicContact CB-CB 3.84Å; F32-I116 HydrophobicContact CB-CG1 4.37Å; F32-I116 HydrophobicContact CD1-CB 4.27Å; F32-I116 HydrophobicContact CD1-CG1 3.73Å; F32-I116 HydrophobicContact CD2-CD1 4.21Å; F32-I116 HydrophobicContact CD2-CG1 3.51Å; F32-I116 HydrophobicContact CE1-CB 4.33Å; F32-I116 HydrophobicContact CE1-CG1 3.82Å; F32-I116 HydrophobicContact CE1-CG2 4.42Å; F32-I116 HydrophobicContact CE2-CD1 4.14Å; F32-I116 HydrophobicContact CE2-CG1 3.62Å; F32-I116 HydrophobicContact CG-CB 4.49Å; F32-I116 HydrophobicContact CG-CG1 3.57Å; F32-I116 HydrophobicContact CZ-CG1 3.78Å; F32-A119 HydrophobicContact CD1-CB 3.64Å; F32-A119 HydrophobicContact CE1-CB 4.19Å
33S98.5Very high95.6Very high9 Ų955 Ų556%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-130.6137.3176-60.70000110.2D14 G94 R95D14-S33 WeakPolarHBondContact CB-OG 3.49Å; S33-G94 CarbonylContact O-C 3.41Å; S33-G94 WeakPolarHBondContact O-CA 3.08Å; S33-R95 PolarHBondContact N-O 2.74Å; S33-R95 PolarHBondContact O-N 2.58Å
34I98.2Very high95.5Very high0 Ų056.5 Ų56.50%030%0.303CS..EExtended strand (participates in β ladder)trans-113.3135.6171.7-179.6167.6000111A17 I18 G19 F32 M78 I82 F92 T93 A119 L120 L125A17-I34 WeakPolarHBondContact CA-O 3.46Å; A17-I34 WeakPolarHBondContact CB-O 3.43Å; I18-I34 HydrophobicContact CD1-CG1 4.37Å; I18-I34 HydrophobicContact CG1-CG1 4.45Å; I18-I34 HydrophobicContact CG1-CG2 4.15Å; I18-I34 VanDerWaalsContact CG1-O 3.23Å; I18-I34 WeakPolarHBondContact CG1-O 3.42Å; I18-I34 PolarHBondContact N-O 3.46Å; G19-I34 VanDerWaalsContact O-CG2 3.28Å; G19-I34 WeakPolarHBondContact O-CG2 3.49Å; G19-I34 PolarHBondContact O-N 2.77Å; F32-I34 HydrophobicContact CE1-CB 4.04Å; I34-M78 HydrophobicContact CD1-CE 3.8Å; I34-M78 HydrophobicContact CG1-CE 4.43Å; I34-I82 HydrophobicContact CD1-CD1 3.92Å; I34-F92 HydrophobicContact CD1-CD1 4.3Å; I34-T93 CarbonylContact C-O 3.6Å; I34-T93 WeakPolarHBondContact CA-O 3.36Å; I34-A119 HydrophobicContact CG2-CB 4.43Å; I34-L120 HydrophobicContact CD1-CD2 3.43Å; I34-L120 VanDerWaalsContact CD1-CD2 3.43Å; I34-L125 HydrophobicContact CD1-CD1 3.71Å
35Y98Very high95.5Very high37 Ų3757.9 Ų57.915%0.14531%0.308CS..EExtended strand (participates in β ladder)trans-122.8158.2177.6-47.1-92.2000110.7D14 N16 A17 F92 T93 R95D14-Y35 VanDerWaalsContact OD2-CZ 3.3Å; D14-Y35 PolarHBondContact OD2-OH 3.03Å; N16-Y35 HydrophobicContact CB-CE1 4.4Å; A17-Y35 HydrophobicContact CB-CD1 4.11Å; A17-Y35 HydrophobicContact CB-CE1 3.82Å; Y35-F92 WeakPolarHBondContact O-CA 3.41Å; Y35-T93 HydrophobicContact CD2-CG2 4.5Å; Y35-T93 WeakPolarHBondContact CD2-O 3.25Å; Y35-T93 PolarHBondContact N-O 2.91Å; Y35-T93 PolarHBondContact O-N 2.86Å; Y35-R95 HydrophobicContact CE2-CB 4.21Å; Y35-R95 HydrophobicContact CE2-CG 3.84Å
36G95.2Very high95.6Very high11 Ų1156.5 Ų56.511%0.11330%0.304CS..EExtended strand (participates in β ladder)trans106.1-168.4-17800000112.4I18 D38I18-G36 WeakPolarHBondContact CD1-O 3.35Å; I18-G36 VanDerWaalsContact CG2-O 3.3Å; I18-G36 WeakPolarHBondContact CG2-O 3.38Å; G36-D38 VanDerWaalsContact CA-N 3.26Å
37P95.8Very high95.9Very high62 Ų6258.7 Ų58.740%0.40331%0.314SS..EExtended strand (participates in β ladder)cis-67.2118-1.427.5-32.1000111.3F87 F92P37-F87 HydrophobicContact CB-CD1 4.11Å; P37-F87 HydrophobicContact CG-CD1 4.02Å; P37-F87 HydrophobicContact CG-CE1 4.14Å; P37-F92 HydrophobicContact CB-CE1 3.79Å; P37-F92 HydrophobicContact CB-CZ 3.87Å; P37-F92 HydrophobicContact CG-CE1 4.28Å; P37-F92 HydrophobicContact CG-CZ 4.43Å
38D96Very high96.2Very high84 Ų8463.8 Ų63.845%0.44933%0.325SS..EExtended strand (participates in β ladder)trans-92.7159.7174.1-64.9-39.2000110.1G36 A40 S90 K91G36-D38 VanDerWaalsContact CA-N 3.26Å; D38-A40 PolarHBondContact O-N 2.78Å; D38-S90 CarbonylContact O-C 3.39Å; D38-S90 WeakPolarHBondContact O-CA 3.47Å; D38-K91 PolarHBondContact N-O 2.97Å; D38-K91 PolarHBondContact O-N 2.84Å
39E96.3Very high96.3Very high184 Ų18468 Ų6886%0.8634%0.341SS*.EExtended strand (participates in β ladder)trans-64125.6169.5-173.1174.7-173.700109.9
40A96.1Very high96.4Very high9 Ų966.2 Ų66.27%0.07433%0.333CS..PPolyproline II helixtrans-69.8140.3179.300000110.7D38 E45 R89 K91D38-A40 PolarHBondContact O-N 2.78Å; A40-E45 HydrophobicContact CB-CB 4.24Å; A40-R89 VanDerWaalsContact CB-O 3.24Å; A40-R89 WeakPolarHBondContact CB-O 3.48Å; A40-R89 PolarHBondContact N-O 3.26Å; A40-K91 HydrophobicContact CB-CB 4.33Å
41K95.4Very high96.4Very high161 Ų16169.6 Ų69.670%0.735%0.346SS*.PPolyproline II helixtrans-69.1156.3168.8-64.7-179.3-178.6177.60109.3N43 D44 E45K41-N43 PolarHBondContact O-N 3.24Å; K41-D44 CarbonylContact O-C 3.55Å; K41-D44 WeakPolarHBondContact O-CA 3.24Å; K41-D44 PolarHBondContact O-N 3.32Å; K41-E45 PolarHBondContact O-N 3.09Å
42I93.9Very high96.4Very high149 Ų14968.3 Ų68.376%0.76434%0.338SS*.THydrogen-bonded Turntrans-47.6-39-179.6-62.5168.6000113.2
43N94.5Very high96.3Very high154 Ų15470.3 Ų70.382%0.82435%0.348SS*.THydrogen-bonded Turntrans-74-27.1-179.8-65.6-13.6000114K41K41-N43 PolarHBondContact O-N 3.24Å
44D95Very high96.3Very high33 Ų3370.1 Ų70.118%0.17635%0.347CS..THydrogen-bonded Turntrans-100.9-3.8-178.6-65.3-3.8000110.6K41 L46 Y51 K91K41-D44 CarbonylContact O-C 3.55Å; K41-D44 WeakPolarHBondContact O-CA 3.24Å; K41-D44 PolarHBondContact O-N 3.32Å; D44-L46 PolarHBondContact O-N 2.98Å; D44-Y51 HydrophobicContact CB-CD1 3.64Å; D44-Y51 HydrophobicContact CB-CD2 4.48Å; D44-Y51 HydrophobicContact CB-CE1 3.98Å; D44-Y51 HydrophobicContact CB-CG 3.91Å; D44-Y51 WeakPolarHBondContact O-CB 3.34Å; D44-K91 IonicContact OD2-NZ 3.27Å; D44-K91 PolarHBondContact OD2-NZ 2.94Å
45E94.6Very high96.3Very high76 Ų7671.9 Ų71.936%0.35536%0.358SS..  trans-72.3116.7-172.9-170-169.9151.600110.8A40 K41 R89A40-E45 HydrophobicContact CB-CB 4.24Å; K41-E45 PolarHBondContact O-N 3.09Å; E45-R89 HydrophobicContact CG-CB 3.97Å; E45-R89 HydrophobicContact CG-CG 3.85Å; E45-R89 WeakPolarHBondContact OE1-CD 3.43Å; E45-R89 WeakPolarHBondContact OE1-CG 3.26Å; E45-R89 IonicContact OE1-CZ 3.91Å; E45-R89 IonicContact OE1-NE 2.84Å; E45-R89 PolarHBondContact OE1-NE 3.33Å
46L96Very high96.3Very high56 Ų5670.1 Ų70.129%0.29335%0.351SS..  trans-110.8119.2171.7-60.2-178.7000109.2D44 H48 R49 Y51 R89D44-L46 PolarHBondContact O-N 2.98Å; L46-H48 PolarHBondContact O-N 3.41Å; L46-H48 VanDerWaalsContact O-N 3.15Å; L46-R49 HydrophobicContact CB-CG 4.03Å; L46-R49 VanDerWaalsContact CB-O 3.3Å; L46-R49 WeakPolarHBondContact CB-O 3.46Å; L46-R49 HydrophobicContact CD1-CG 3.87Å; L46-Y51 HydrophobicContact CD1-CD2 4.26Å; L46-R89 WeakPolarHBondContact O-CA 3.45Å; L46-R89 PolarHBondContact O-N 3.49Å
47T94.8Very high96.4Very high73 Ų7371.9 Ų71.945%0.44836%0.36SS..THydrogen-bonded Turntrans-66.4-19.2-172.951.30000114.7P88T47-P88 WeakPolarHBondContact O-CB 3.2Å
48H96.1Very high96.3Very high154 Ų15469.6 Ų69.671%0.71335%0.345SS*.THydrogen-bonded Turntrans-122.2-0.9-170.6-58.9-54.1000114.3L46L46-H48 PolarHBondContact O-N 3.41Å; L46-H48 VanDerWaalsContact O-N 3.15Å
49R97.1Very high96Very high106 Ų10673 Ų7340%0.435%0.351SS..SBendtrans-163.2168.2-17963.7-176.8-173.31749.8111.1L46 E79 V84 F87L46-R49 HydrophobicContact CB-CG 4.03Å; L46-R49 VanDerWaalsContact CB-O 3.3Å; L46-R49 WeakPolarHBondContact CB-O 3.46Å; L46-R49 HydrophobicContact CD1-CG 3.87Å; R49-E79 IonicContact CZ-OE1 2.71Å; R49-E79 IonicContact NE-OE1 3.07Å; R49-E79 IonicContact NH1-OE1 2.93Å; R49-E79 PolarHBondContact NH1-OE1 2.71Å; R49-E79 IonicContact NH2-OE1 2.71Å; R49-E79 PolarHBondContact NH2-OE1 3.32Å; R49-V84 CarbonylContact C-O 3.51Å; R49-V84 WeakPolarHBondContact CA-O 3.22Å; R49-V84 HydrophobicContact CB-CB 4.2Å; R49-V84 HydrophobicContact CB-CG2 3.98Å; R49-F87 CarbonylContact C-O 3.3Å; R49-F87 VanDerWaalsContact C-O 3.3Å
50A97.7Very high95.7Very high1 Ų169.6 Ų69.61%0.00834%0.343CS..  trans-73147169.700000111.5V84 F87 S90 F92A50-V84 HydrophobicContact CB-CB 4.18Å; A50-V84 HydrophobicContact CB-CG1 4.38Å; A50-V84 PolarHBondContact N-O 2.84Å; A50-F87 WeakPolarHBondContact CA-O 3.16Å; A50-F87 HydrophobicContact CB-CB 3.96Å; A50-F87 WeakPolarHBondContact CB-O 3.34Å; A50-F87 PolarHBondContact N-O 2.99Å; A50-S90 CarbonylContact C-O 3.42Å; A50-S90 VanDerWaalsContact CA-O 3.23Å; A50-S90 WeakPolarHBondContact CA-O 3.5Å; A50-F92 HydrophobicContact CB-CD2 3.65Å; A50-F92 HydrophobicContact CB-CE2 3.66Å
51Y98.1Very high95.4Very high70 Ų7072.6 Ų72.628%0.27538%0.375SS..EExtended strand (participates in β ladder)trans-83.8132.1162.3-177.6-105.3000109.6D44 L46 D53 S90 K91 F92D44-Y51 HydrophobicContact CB-CD1 3.64Å; D44-Y51 HydrophobicContact CB-CD2 4.48Å; D44-Y51 HydrophobicContact CB-CE1 3.98Å; D44-Y51 HydrophobicContact CB-CG 3.91Å; D44-Y51 WeakPolarHBondContact O-CB 3.34Å; L46-Y51 HydrophobicContact CD1-CD2 4.26Å; Y51-D53 HydrophobicContact CD1-CB 4.25Å; Y51-D53 HydrophobicContact CE1-CB 3.76Å; Y51-S90 PolarHBondContact N-O 2.95Å; Y51-K91 HydrophobicContact CD1-CD 4.02Å; Y51-K91 HydrophobicContact CD1-CG 4.09Å; Y51-K91 CarbonylContact O-C 3.59Å; Y51-K91 VanDerWaalsContact O-CA 3.3Å; Y51-K91 WeakPolarHBondContact O-CA 3.19Å; Y51-F92 PolarHBondContact O-N 3.07Å
52V98Very high95.1Very high5 Ų573.2 Ų73.23%0.0338%0.381CS..EExtended strand (participates in β ladder)trans-110.1130.3176.7178.20000108V54 N75 M78 E79 V84 F92V52-V54 HydrophobicContact CG1-CG2 4.25Å; V52-N75 PolarHBondContact O-ND2 3.26Å; V52-N75 PolarHBondContact O-OD1 3.42Å; V52-M78 HydrophobicContact CG1-CB 3.81Å; V52-M78 HydrophobicContact CG1-CE 4.46Å; V52-E79 HydrophobicContact CG2-CB 4.39Å; V52-V84 HydrophobicContact CG2-CG1 3.9Å; V52-F92 HydrophobicContact CG2-CB 4.47Å
53D97.8Very high94.9Very high42 Ų4272.6 Ų72.623%0.22537%0.369CS..EExtended strand (participates in β ladder)trans-129.6122.6-179.2-17013.3000109.1Y51 K91 F92 T93 G94Y51-D53 HydrophobicContact CD1-CB 4.25Å; Y51-D53 HydrophobicContact CE1-CB 3.76Å; D53-K91 VanDerWaalsContact CB-CE 3.49Å; D53-K91 WeakPolarHBondContact OD2-CE 3.36Å; D53-K91 IonicContact OD2-NZ 3.84Å; D53-K91 PolarHBondContact OD2-NZ 3.09Å; D53-F92 PolarHBondContact N-O 3.25Å; D53-T93 CarbonylContact O-C 3.58Å; D53-T93 WeakPolarHBondContact O-CA 3.42Å; D53-G94 PolarHBondContact O-N 3.23Å
54V98.2Very high94.8Very high5 Ų568.6 Ų68.63%0.0335%0.35CS..EExtended strand (participates in β ladder)trans-120.5124.3-178.6-177.50000108.7V52 E71 L74 N75 M78 G94V52-V54 HydrophobicContact CG1-CG2 4.25Å; V54-E71 WeakPolarHBondContact O-CG 3.28Å; V54-L74 HydrophobicContact CG1-CB 3.95Å; V54-L74 HydrophobicContact CG1-CD1 4.49Å; V54-N75 HydrophobicContact CB-CB 4.34Å; V54-N75 HydrophobicContact CG2-CB 4.18Å; V54-M78 HydrophobicContact CG2-CG 4.37Å; V54-M78 HydrophobicContact CG2-SD 3.4Å; V54-M78 WeakPolarHBondContact CG2-SD 3.23Å; V54-G94 WeakPolarHBondContact CA-O 3.22Å
55T97.6Very high94.7Very high37 Ų3772 Ų7223%0.22738%0.376CS..EExtended strand (participates in β ladder)trans-111.6131.4174.6-56.40000110R63 G94 R95 L96T55-R63 VanDerWaalsContact CG2-NH1 3.3Å; T55-G94 PolarHBondContact N-O 2.81Å; T55-R95 WeakPolarHBondContact O-CA 3.38Å; T55-L96 PolarHBondContact O-N 3.27Å
56V98Very high94.5Very high0 Ų073.6 Ų73.60%038%0.382CS..EExtended strand (participates in β ladder)trans-104.6130.1173.4178.60000108.6R63 E67 L70 E71 L74 L96 I98 T103V56-R63 WeakPolarHBondContact O-CD 3.39Å; V56-R63 WeakPolarHBondContact O-CG 3.3Å; V56-R63 PolarHBondContact O-NH1 2.93Å; V56-E67 HydrophobicContact CB-CB 4.19Å; V56-E67 HydrophobicContact CG1-CB 4.13Å; V56-E67 HydrophobicContact CG1-CG 3.94Å; V56-L70 HydrophobicContact CG1-CD2 4.2Å; V56-L70 HydrophobicContact CG2-CB 4.42Å; V56-L70 HydrophobicContact CG2-CD2 4.19Å; V56-L70 HydrophobicContact CG2-CG 4.15Å; V56-E71 HydrophobicContact CB-CG 3.75Å; V56-E71 HydrophobicContact CG2-CB 4.47Å; V56-E71 HydrophobicContact CG2-CG 3.53Å; V56-E71 PolarHBondContact N-OE1 3Å; V56-L74 HydrophobicContact CG2-CD1 4.2Å; V56-L96 CarbonylContact C-O 3.5Å; V56-L96 WeakPolarHBondContact CA-O 3.48Å; V56-L96 HydrophobicContact CG1-CD2 4.3Å; V56-L96 HydrophobicContact CG2-CB 4.2Å; V56-L96 HydrophobicContact CG2-CD2 4.08Å; V56-I98 HydrophobicContact CG1-CD1 3.97Å; V56-I98 HydrophobicContact CG1-CG1 4.48Å; V56-T103 HydrophobicContact CG1-CG2 4.48Å
57T96.6Very high94.5Very high49 Ų4971.3 Ų71.330%0.30137%0.37SS..EExtended strand (participates in β ladder)trans-112.3120.3174.9-57.60000108.6R63 L96 F97 I98T57-R63 PolarHBondContact OG1-NH1 3.19Å; T57-R63 VanDerWaalsContact OG1-NH1 3.13Å; T57-L96 PolarHBondContact N-O 3.27Å; T57-F97 HydrophobicContact CG2-CD2 3.71Å; T57-F97 HydrophobicContact CG2-CE2 3.86Å; T57-I98 PolarHBondContact O-N 3.28Å; T57-I98 VanDerWaalsContact O-N 3.11Å
58P94.6Very high94.5Very high14 Ų1470.3 Ų70.39%0.09137%0.366CS..  trans-71.1160.2-178.931.1-34.1000110.6T60 E67P58-T60 VanDerWaalsContact C-N 3.26Å; P58-T60 PolarHBondContact O-N 3.35Å; P58-E67 HydrophobicContact CB-CG 4.04Å; P58-E67 HydrophobicContact CG-CG 4.31Å
59R90.5Very high94.4Very high155 Ų15566.9 Ų66.959%0.58535%0.35SS*.SBendtrans-54.9-41.6175.8-177.8-173.4170.1-173.2-2.3113.1I98 V99R59-I98 WeakPolarHBondContact CA-O 3.48Å; R59-I98 VanDerWaalsContact CB-O 3.26Å; R59-I98 WeakPolarHBondContact CB-O 3.27Å; R59-I98 PolarHBondContact N-O 2.58Å; R59-V99 WeakPolarHBondContact CD-O 3.45Å; R59-V99 WeakPolarHBondContact CG-O 3.42Å; R59-V99 PolarHBondContact NE-O 3.31Å
60T88.1Confident94.4Very high112 Ų11261.9 Ų61.969%0.68733%0.331SS*.SBendtrans-144.4142.6-175.552.90000110.6P58P58-T60 VanDerWaalsContact C-N 3.26Å; P58-T60 PolarHBondContact O-N 3.35Å
61G89.8Confident94.3Very high72 Ų7263.5 Ų63.574%0.74234%0.338SS*.SBendtrans82.8-163173.800000113.3
62Q90.7Very high94.3Very high175 Ų17565.1 Ų65.182%0.81835%0.351SS*.SBendtrans-89.7154.5-178.8-64.4-179.7-4.700110.6T64Q62-T64 WeakPolarHBondContact O-CG2 3.34Å; Q62-T64 PolarHBondContact O-N 3.43Å
63R89.7Confident94.2Very high136 Ų13667.1 Ų67.151%0.51336%0.358SS..  trans-54.2131.5171.5-78.9-176.8-100.6-85.73.1110.1T55 V56 T57T55-R63 VanDerWaalsContact CG2-NH1 3.3Å; V56-R63 WeakPolarHBondContact O-CD 3.39Å; V56-R63 WeakPolarHBondContact O-CG 3.3Å; V56-R63 PolarHBondContact O-NH1 2.93Å; T57-R63 PolarHBondContact OG1-NH1 3.19Å; T57-R63 VanDerWaalsContact OG1-NH1 3.13Å
64T91.9Very high94.2Very high70 Ų7065.1 Ų65.143%0.42935%0.347SS..  trans-114.3177.4175.978.50000110.1Q62 K66 E67 S68Q62-T64 WeakPolarHBondContact O-CG2 3.34Å; Q62-T64 PolarHBondContact O-N 3.43Å; T64-K66 PolarHBondContact O-N 3.3Å; T64-K66 VanDerWaalsContact O-N 3.13Å; T64-K66 PolarHBondContact OG1-N 3.2Å; T64-E67 VanDerWaalsContact CA-OE2 3.29Å; T64-E67 WeakPolarHBondContact CA-OE2 3.49Å; T64-E67 VanDerWaalsContact CB-OE2 3.28Å; T64-E67 WeakPolarHBondContact CB-OE2 3.32Å; T64-E67 PolarHBondContact N-OE2 3.46Å; T64-E67 PolarHBondContact O-N 3.31Å; T64-E67 VanDerWaalsContact O-N 3.13Å; T64-E67 PolarHBondContact OG1-OE2 2.89Å; T64-S68 PolarHBondContact O-N 3.44Å
65S92.3Very high94.2Very high103 Ų10366.5 Ų66.572%0.7235%0.354SS*.Hα-helixtrans-58.7-24.2175.7-520000113.6S68 E69S65-S68 PolarHBondContact O-N 2.98Å; S65-E69 WeakPolarHBondContact O-CB 3.43Å; S65-E69 PolarHBondContact O-N 2.99Å
66K92.1Very high94.2Very high110 Ų11070.1 Ų70.148%0.47837%0.369SS..Hα-helixtrans-66.1-43.8176.3-64.6-176179.7179.90111.3T64 E69 L70 T103 N104T64-K66 PolarHBondContact O-N 3.3Å; T64-K66 VanDerWaalsContact O-N 3.13Å; T64-K66 PolarHBondContact OG1-N 3.2Å; K66-E69 PolarHBondContact O-N 2.77Å; K66-L70 PolarHBondContact O-N 2.91Å; K66-L70 VanDerWaalsContact O-N 3.13Å; K66-T103 HydrophobicContact CB-CG2 4.31Å; K66-N104 PolarHBondContact O-OD1 2.91Å
67E95Very high94.2Very high9 Ų970.3 Ų70.34%0.04237%0.37CS..Hα-helixtrans-65.2-42.3175.3-69.167.8-142.100110.4V56 P58 T64 E69 L70 E71 T103V56-E67 HydrophobicContact CB-CB 4.19Å; V56-E67 HydrophobicContact CG1-CB 4.13Å; V56-E67 HydrophobicContact CG1-CG 3.94Å; P58-E67 HydrophobicContact CB-CG 4.04Å; P58-E67 HydrophobicContact CG-CG 4.31Å; T64-E67 VanDerWaalsContact CA-OE2 3.29Å; T64-E67 WeakPolarHBondContact CA-OE2 3.49Å; T64-E67 VanDerWaalsContact CB-OE2 3.28Å; T64-E67 WeakPolarHBondContact CB-OE2 3.32Å; T64-E67 PolarHBondContact N-OE2 3.46Å; T64-E67 PolarHBondContact O-N 3.31Å; T64-E67 VanDerWaalsContact O-N 3.13Å; T64-E67 PolarHBondContact OG1-OE2 2.89Å; E67-E69 VanDerWaalsContact C-N 3.34Å; E67-E69 PolarHBondContact O-N 3.27Å; E67-L70 CarbonylContact O-C 3.6Å; E67-L70 PolarHBondContact O-N 3.25Å; E67-L70 VanDerWaalsContact O-N 3.15Å; E67-E71 VanDerWaalsContact O-CG 3.26Å; E67-E71 WeakPolarHBondContact O-CG 3.37Å; E67-E71 PolarHBondContact O-N 3.07Å; E67-T103 HydrophobicContact CB-CG2 4.34Å; E67-T103 HydrophobicContact CG-CG2 3.79Å; E67-T103 VanDerWaalsContact OE1-CB 3.27Å; E67-T103 WeakPolarHBondContact OE1-CB 3.2Å; E67-T103 WeakPolarHBondContact OE1-CG2 3.33Å; E67-T103 PolarHBondContact OE1-OG1 2.92Å
68S94.9Very high94.2Very high52 Ų5268 Ų6836%0.36436%0.355SS..Hα-helixtrans-62.7-37.3176.8-58.30000113.6T64 S65 E71 I72T64-S68 PolarHBondContact O-N 3.44Å; S65-S68 PolarHBondContact O-N 2.98Å; S68-E71 WeakPolarHBondContact CA-OE2 3.28Å; S68-E71 PolarHBondContact O-N 3.32Å; S68-I72 VanDerWaalsContact O-CG1 3.32Å; S68-I72 WeakPolarHBondContact O-CG1 3.08Å; S68-I72 PolarHBondContact O-N 3.31Å; S68-I72 VanDerWaalsContact O-N 3.13Å
69E94.4Very high94.3Very high82 Ų8269.7 Ų69.738%0.38336%0.362SS..Hα-helixtrans-62.4-44.9173-175.9-173.3177.400111.2S65 K66 E67 I72 Y73 N104S65-E69 WeakPolarHBondContact O-CB 3.43Å; S65-E69 PolarHBondContact O-N 2.99Å; K66-E69 PolarHBondContact O-N 2.77Å; E67-E69 VanDerWaalsContact C-N 3.34Å; E67-E69 PolarHBondContact O-N 3.27Å; E69-I72 PolarHBondContact O-N 3.48Å; E69-Y73 PolarHBondContact O-N 2.96Å; E69-Y73 VanDerWaalsContact O-N 3.15Å; E69-N104 PolarHBondContact OE2-ND2 3.04Å
70L95.8Very high94.6Very high0 Ų069.1 Ų69.10%036%0.36CS..Hα-helixtrans-67-38.5177.6-176.460.8000112.2V56 K66 E67 I72 Y73 L74 L96 I98 T103 V109V56-L70 HydrophobicContact CG1-CD2 4.2Å; V56-L70 HydrophobicContact CG2-CB 4.42Å; V56-L70 HydrophobicContact CG2-CD2 4.19Å; V56-L70 HydrophobicContact CG2-CG 4.15Å; K66-L70 PolarHBondContact O-N 2.91Å; K66-L70 VanDerWaalsContact O-N 3.13Å; E67-L70 CarbonylContact O-C 3.6Å; E67-L70 PolarHBondContact O-N 3.25Å; E67-L70 VanDerWaalsContact O-N 3.15Å; L70-I72 VanDerWaalsContact C-N 3.35Å; L70-I72 PolarHBondContact O-N 3.41Å; L70-Y73 HydrophobicContact CD1-CD1 4.27Å; L70-Y73 PolarHBondContact O-N 2.94Å; L70-L74 HydrophobicContact CD1-CD1 4.01Å; L70-L74 HydrophobicContact CD1-CD2 4.37Å; L70-L74 HydrophobicContact CD1-CG 3.92Å; L70-L74 HydrophobicContact CD2-CD1 4.32Å; L70-L74 HydrophobicContact CG-CD1 3.8Å; L70-L74 HydrophobicContact CG-CG 4.14Å; L70-L74 WeakPolarHBondContact O-CB 3.23Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.2Å; L70-L74 PolarHBondContact O-N 3.17Å; L70-L96 HydrophobicContact CD2-CD2 4.12Å; L70-I98 HydrophobicContact CD2-CD1 4.45Å; L70-T103 HydrophobicContact CB-CG2 4.16Å; L70-T103 HydrophobicContact CD2-CG2 3.81Å; L70-V109 HydrophobicContact CD1-CG1 4.24Å; L70-V109 HydrophobicContact CD1-CG2 3.77Å
71E97.1Very high95.1Very high35 Ų3564 Ų6416%0.16433%0.328CS..Hα-helixtrans-56.4-48.8174.5-75.6169.5167.600110.9V54 V56 E67 S68 Y73 L74 N75V54-E71 WeakPolarHBondContact O-CG 3.28Å; V56-E71 HydrophobicContact CB-CG 3.75Å; V56-E71 HydrophobicContact CG2-CB 4.47Å; V56-E71 HydrophobicContact CG2-CG 3.53Å; V56-E71 PolarHBondContact N-OE1 3Å; E67-E71 VanDerWaalsContact O-CG 3.26Å; E67-E71 WeakPolarHBondContact O-CG 3.37Å; E67-E71 PolarHBondContact O-N 3.07Å; S68-E71 WeakPolarHBondContact CA-OE2 3.28Å; S68-E71 PolarHBondContact O-N 3.32Å; E71-Y73 VanDerWaalsContact C-N 3.34Å; E71-Y73 PolarHBondContact O-N 3.14Å; E71-L74 PolarHBondContact O-N 3.29Å; E71-N75 WeakPolarHBondContact O-CB 3.39Å; E71-N75 PolarHBondContact O-N 3.04Å
72I96.6Very high95.5Very high105 Ų10560.5 Ų60.554%0.53829%0.293SS..Hα-helixtrans-58.7-48177.4-67165.1000110.2S68 E69 L70 L74 N75 H76S68-I72 VanDerWaalsContact O-CG1 3.32Å; S68-I72 WeakPolarHBondContact O-CG1 3.08Å; S68-I72 PolarHBondContact O-N 3.31Å; S68-I72 VanDerWaalsContact O-N 3.13Å; E69-I72 PolarHBondContact O-N 3.48Å; L70-I72 VanDerWaalsContact C-N 3.35Å; L70-I72 PolarHBondContact O-N 3.41Å; I72-L74 PolarHBondContact O-N 3.49Å; I72-N75 PolarHBondContact O-N 2.84Å; I72-H76 PolarHBondContact O-N 2.91Å; I72-H76 PolarHBondContact O-ND1 3.06Å
73Y97Very high95.8Very high47 Ų4754.5 Ų54.518%0.18427%0.266CS..Hα-helixtrans-59.7-48.3179.6174.7-96.8000112.3E69 L70 E71 H76 L77 V109 I113 Y170E69-Y73 PolarHBondContact O-N 2.96Å; E69-Y73 VanDerWaalsContact O-N 3.15Å; L70-Y73 HydrophobicContact CD1-CD1 4.27Å; L70-Y73 PolarHBondContact O-N 2.94Å; E71-Y73 VanDerWaalsContact C-N 3.34Å; E71-Y73 PolarHBondContact O-N 3.14Å; Y73-H76 PolarHBondContact O-N 3.43Å; Y73-L77 PolarHBondContact O-N 3.47Å; Y73-L77 VanDerWaalsContact O-N 3.07Å; Y73-V109 HydrophobicContact CD1-CG1 4.41Å; Y73-V109 HydrophobicContact CE1-CG1 3.94Å; Y73-I113 HydrophobicContact CE1-CD1 4.07Å; Y73-Y170 HydrophobicContact CD1-CD2 4.22Å; Y73-Y170 HydrophobicContact CD2-CD2 4.08Å; Y73-Y170 HydrophobicContact CE1-CD2 4.24Å; Y73-Y170 HydrophobicContact CE2-CD2 4.08Å; Y73-Y170 HydrophobicContact CG-CD2 4.15Å
74L97.8Very high96.1Very high0 Ų048.6 Ų48.60%025%0.245CC..Hα-helixtrans-71.6-31.3-178.1-65178.5000112.7V54 V56 L70 E71 I72 L77 M78 L96 I113 I116V54-L74 HydrophobicContact CG1-CB 3.95Å; V54-L74 HydrophobicContact CG1-CD1 4.49Å; V56-L74 HydrophobicContact CG2-CD1 4.2Å; L70-L74 HydrophobicContact CD1-CD1 4.01Å; L70-L74 HydrophobicContact CD1-CD2 4.37Å; L70-L74 HydrophobicContact CD1-CG 3.92Å; L70-L74 HydrophobicContact CD2-CD1 4.32Å; L70-L74 HydrophobicContact CG-CD1 3.8Å; L70-L74 HydrophobicContact CG-CG 4.14Å; L70-L74 WeakPolarHBondContact O-CB 3.23Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.2Å; L70-L74 PolarHBondContact O-N 3.17Å; E71-L74 PolarHBondContact O-N 3.29Å; I72-L74 PolarHBondContact O-N 3.49Å; L74-L77 HydrophobicContact CD2-CD2 4.16Å; L74-L77 WeakPolarHBondContact O-CB 3.43Å; L74-L77 PolarHBondContact O-N 3.32Å; L74-M78 WeakPolarHBondContact O-CB 3.24Å; L74-M78 WeakPolarHBondContact O-CG 3.34Å; L74-M78 PolarHBondContact O-N 2.87Å; L74-L96 HydrophobicContact CD1-CD2 3.67Å; L74-I113 HydrophobicContact CD2-CG1 4.34Å; L74-I116 HydrophobicContact CB-CD1 4.43Å; L74-I116 HydrophobicContact CD1-CD1 4.12Å; L74-I116 HydrophobicContact CD2-CD1 3.71Å; L74-I116 HydrophobicContact CG-CD1 4.3Å
75N97.7Very high96.4Very high33 Ų3352.7 Ų52.718%0.17626%0.257CS..Hα-helixtrans-61.6-50.8174.6-168.1-50.4000110.8V52 V54 E71 I72 L77 M78 E79V52-N75 PolarHBondContact O-ND2 3.26Å; V52-N75 PolarHBondContact O-OD1 3.42Å; V54-N75 HydrophobicContact CB-CB 4.34Å; V54-N75 HydrophobicContact CG2-CB 4.18Å; E71-N75 WeakPolarHBondContact O-CB 3.39Å; E71-N75 PolarHBondContact O-N 3.04Å; I72-N75 PolarHBondContact O-N 2.84Å; N75-L77 VanDerWaalsContact C-N 3.28Å; N75-L77 PolarHBondContact O-N 3Å; N75-M78 PolarHBondContact O-N 3.32Å; N75-E79 PolarHBondContact O-N 2.76Å
76H97.4Very high96.6Very high113 Ų11353.9 Ų53.952%0.52325%0.251SS..Hα-helixtrans-61.4-36.7175.1-70.788.1000112.4I72 Y73 R80I72-H76 PolarHBondContact O-N 2.91Å; I72-H76 PolarHBondContact O-ND1 3.06Å; Y73-H76 PolarHBondContact O-N 3.43Å; H76-R80 VanDerWaalsContact O-CG 3.26Å; H76-R80 WeakPolarHBondContact O-CG 3.3Å; H76-R80 PolarHBondContact O-N 2.92Å
77L97.8Very high96.8Very high5 Ų550.6 Ų50.63%0.02624%0.237CC..Hα-helixtrans-61.8-50.8175.6-172.382.5000110.8Y73 L74 N75 R80 L81 I113 I131 F167 A168Y73-L77 PolarHBondContact O-N 3.47Å; Y73-L77 VanDerWaalsContact O-N 3.07Å; L74-L77 HydrophobicContact CD2-CD2 4.16Å; L74-L77 WeakPolarHBondContact O-CB 3.43Å; L74-L77 PolarHBondContact O-N 3.32Å; N75-L77 VanDerWaalsContact C-N 3.28Å; N75-L77 PolarHBondContact O-N 3Å; L77-R80 PolarHBondContact O-N 2.94Å; L77-L81 HydrophobicContact CD2-CD1 4.44Å; L77-L81 HydrophobicContact CG-CD1 4.11Å; L77-L81 WeakPolarHBondContact O-CG 3.23Å; L77-L81 PolarHBondContact O-N 2.89Å; L77-L81 VanDerWaalsContact O-N 3.09Å; L77-I113 HydrophobicContact CD2-CB 4.47Å; L77-I113 HydrophobicContact CD2-CG1 3.83Å; L77-I113 HydrophobicContact CD2-CG2 4.16Å; L77-I131 HydrophobicContact CD1-CD1 4.08Å; L77-I131 HydrophobicContact CD2-CD1 4.12Å; L77-I131 HydrophobicContact CG-CD1 4.28Å; L77-F167 HydrophobicContact CD1-CD1 3.72Å; L77-F167 HydrophobicContact CD1-CE1 3.65Å; L77-F167 HydrophobicContact CG-CE1 4.36Å; L77-A168 HydrophobicContact CD1-CB 3.7Å
78M97.7Very high96.9Very high0 Ų053.3 Ų53.30%026%0.255CS..Hα-helixtrans-67.1-40.9-178.6-75.5-17664.500113.1F32 I34 V52 V54 L74 N75 R80 L81 I82 I116 L120F32-M78 HydrophobicContact CE1-CE 4.37Å; F32-M78 HydrophobicContact CE1-SD 4.41Å; F32-M78 HydrophobicContact CE2-SD 4.07Å; F32-M78 HydrophobicContact CZ-CE 3.77Å; F32-M78 HydrophobicContact CZ-SD 3.48Å; F32-M78 WeakPolarHBondContact CZ-SD 3.3Å; I34-M78 HydrophobicContact CD1-CE 3.8Å; I34-M78 HydrophobicContact CG1-CE 4.43Å; V52-M78 HydrophobicContact CG1-CB 3.81Å; V52-M78 HydrophobicContact CG1-CE 4.46Å; V54-M78 HydrophobicContact CG2-CG 4.37Å; V54-M78 HydrophobicContact CG2-SD 3.4Å; V54-M78 WeakPolarHBondContact CG2-SD 3.23Å; L74-M78 WeakPolarHBondContact O-CB 3.24Å; L74-M78 WeakPolarHBondContact O-CG 3.34Å; L74-M78 PolarHBondContact O-N 2.87Å; N75-M78 PolarHBondContact O-N 3.32Å; M78-R80 PolarHBondContact O-N 2.98Å; M78-L81 PolarHBondContact O-N 3.47Å; M78-L81 VanDerWaalsContact O-N 3.07Å; M78-I82 HydrophobicContact CE-CD1 4.2Å; M78-I82 PolarHBondContact O-N 3.1Å; M78-I116 HydrophobicContact CG-CG2 3.92Å; M78-I116 HydrophobicContact SD-CG2 4.38Å; M78-L120 HydrophobicContact CE-CD2 4.49Å
79E96.8Very high97Very high50 Ų5057.5 Ų57.523%0.23426%0.263CS..Hα-helixtrans-59.4-31.1175.1-169.4-173.5168.700111.7R49 V52 N75 V84R49-E79 IonicContact CZ-OE1 2.71Å; R49-E79 IonicContact NE-OE1 3.07Å; R49-E79 IonicContact NH1-OE1 2.93Å; R49-E79 PolarHBondContact NH1-OE1 2.71Å; R49-E79 IonicContact NH2-OE1 2.71Å; R49-E79 PolarHBondContact NH2-OE1 3.32Å; V52-E79 HydrophobicContact CG2-CB 4.39Å; N75-E79 PolarHBondContact O-N 2.76Å; E79-V84 HydrophobicContact CG-CG1 4.31Å; E79-V84 HydrophobicContact CG-CG2 4.48Å
80R97Very high97.2Very high143 Ų14354.7 Ų54.754%0.5425%0.253SS..Hα-helixtrans-80.3-28.5175.6-71.2174.960.1125.70.8113.6H76 L77 M78 R128 F167H76-R80 VanDerWaalsContact O-CG 3.26Å; H76-R80 WeakPolarHBondContact O-CG 3.3Å; H76-R80 PolarHBondContact O-N 2.92Å; L77-R80 PolarHBondContact O-N 2.94Å; M78-R80 PolarHBondContact O-N 2.98Å; R80-R128 WeakPolarHBondContact O-CD 3.45Å; R80-F167 HydrophobicContact CB-CE1 4.17Å; R80-F167 HydrophobicContact CB-CZ 3.6Å
81L97.4Very high97.3Very high3 Ų356.2 Ų56.22%0.01626%0.259CS..Hα-helixtrans-80.1-44.5-179.1-72.7169.5000112L77 M78 I116 L120 L127 R128 A129 I131 F167L77-L81 HydrophobicContact CD2-CD1 4.44Å; L77-L81 HydrophobicContact CG-CD1 4.11Å; L77-L81 WeakPolarHBondContact O-CG 3.23Å; L77-L81 PolarHBondContact O-N 2.89Å; L77-L81 VanDerWaalsContact O-N 3.09Å; M78-L81 PolarHBondContact O-N 3.47Å; M78-L81 VanDerWaalsContact O-N 3.07Å; L81-I116 HydrophobicContact CD1-CG2 4.39Å; L81-L120 HydrophobicContact CB-CD1 4.01Å; L81-L120 HydrophobicContact CD1-CD1 3.78Å; L81-L127 CarbonylContact O-C 3.58Å; L81-L127 VanDerWaalsContact O-CA 3.3Å; L81-L127 WeakPolarHBondContact O-CA 3.2Å; L81-R128 PolarHBondContact O-N 3.16Å; L81-A129 HydrophobicContact CD2-CB 4.42Å; L81-I131 HydrophobicContact CD1-CD1 3.67Å; L81-I131 HydrophobicContact CD1-CG1 4.15Å; L81-I131 HydrophobicContact CD2-CB 4.49Å; L81-I131 HydrophobicContact CD2-CD1 3.98Å; L81-I131 HydrophobicContact CD2-CG1 3.97Å; L81-I131 HydrophobicContact CD2-CG2 3.79Å; L81-I131 HydrophobicContact CG-CD1 4.34Å; L81-F167 HydrophobicContact CD2-CE1 3.84Å; L81-F167 HydrophobicContact CD2-CE2 4.15Å; L81-F167 HydrophobicContact CD2-CZ 3.61Å; L81-F167 HydrophobicContact CG-CE1 3.96Å; L81-F167 HydrophobicContact CG-CZ 3.89Å
82I97.7Very high97.3Very high0 Ų054.6 Ų54.60%025%0.251CS..BIsolated β-bridgetrans-78.8139.7-179.1-58.1170000109.1I34 M78 V84 F92 L120 L125 L127I34-I82 HydrophobicContact CD1-CD1 3.92Å; M78-I82 HydrophobicContact CE-CD1 4.2Å; M78-I82 PolarHBondContact O-N 3.1Å; I82-V84 HydrophobicContact CB-CG1 4.11Å; I82-V84 HydrophobicContact CG2-CG1 4.17Å; I82-V84 PolarHBondContact O-N 2.58Å; I82-F92 HydrophobicContact CD1-CD2 4.24Å; I82-F92 HydrophobicContact CD1-CG 4.29Å; I82-F92 HydrophobicContact CG2-CD2 4.31Å; I82-F92 HydrophobicContact CG2-CE2 3.9Å; I82-F92 HydrophobicContact CG2-CZ 4.4Å; I82-L120 HydrophobicContact CD1-CD2 3.93Å; I82-L120 HydrophobicContact CG1-CD2 3.92Å; I82-L125 HydrophobicContact CD1-CD1 4.33Å; I82-L127 HydrophobicContact CG1-CD2 4.25Å
83D97.3Very high97.4Very high49 Ų4950.5 Ų50.526%0.26223%0.232SC..  trans-74.874.4167.3-160-11.6000110.8K85 E86 P126 R128D83-K85 PolarHBondContact O-N 2.97Å; D83-E86 HydrophobicContact CB-CG 4.28Å; D83-E86 PolarHBondContact O-N 3.33Å; D83-E86 VanDerWaalsContact O-N 3.14Å; D83-P126 HydrophobicContact CB-CB 4.2Å; D83-P126 HydrophobicContact CB-CG 4.27Å; D83-P126 PolarHBondContact N-O 3.09Å; D83-R128 HydrophobicContact CB-CG 4.19Å
84V97.2Very high97.4Very high11 Ų1148.3 Ų48.37%0.06722%0.223CC..G310 helixtrans-59.5-18.9-173.9-65.60000113.4R49 A50 V52 E79 I82 E86 F87R49-V84 CarbonylContact C-O 3.51Å; R49-V84 WeakPolarHBondContact CA-O 3.22Å; R49-V84 HydrophobicContact CB-CB 4.2Å; R49-V84 HydrophobicContact CB-CG2 3.98Å; A50-V84 HydrophobicContact CB-CB 4.18Å; A50-V84 HydrophobicContact CB-CG1 4.38Å; A50-V84 PolarHBondContact N-O 2.84Å; V52-V84 HydrophobicContact CG2-CG1 3.9Å; E79-V84 HydrophobicContact CG-CG1 4.31Å; E79-V84 HydrophobicContact CG-CG2 4.48Å; I82-V84 HydrophobicContact CB-CG1 4.11Å; I82-V84 HydrophobicContact CG2-CG1 4.17Å; I82-V84 PolarHBondContact O-N 2.58Å; V84-E86 VanDerWaalsContact C-N 3.3Å; V84-E86 PolarHBondContact O-N 2.85Å; V84-F87 PolarHBondContact O-N 2.85Å
85K97Very high97.5Very high156 Ų15654.9 Ų54.968%0.67825%0.248SC*.G310 helixtrans-72.8-23.5-179.4-68.1-178.5179.7179.40113.1D83 F87D83-K85 PolarHBondContact O-N 2.97Å; K85-F87 PolarHBondContact O-N 2.82Å
86E96.6Very high97.5Very high129 Ų12953.4 Ų53.460%0.60324%0.24SC*.G310 helixtrans-70.8-14.4176.3-67.5-63.4130.700112.5D83 V84 P88 P126D83-E86 HydrophobicContact CB-CG 4.28Å; D83-E86 PolarHBondContact O-N 3.33Å; D83-E86 VanDerWaalsContact O-N 3.14Å; V84-E86 VanDerWaalsContact C-N 3.3Å; V84-E86 PolarHBondContact O-N 2.85Å; E86-P88 VanDerWaalsContact C-CD 3.44Å; E86-P88 WeakPolarHBondContact O-CD 3.49Å; E86-P126 HydrophobicContact CB-CG 4.41Å; E86-P126 HydrophobicContact CG-CG 4.4Å
87F96.9Very high97.5Very high41 Ų4152.3 Ų52.318%0.1823%0.234CC..SBendtrans-125.562-173.5-55.6-80.4000112.4P37 R49 A50 V84 K85 S90 F92 L125 P126P37-F87 HydrophobicContact CB-CD1 4.11Å; P37-F87 HydrophobicContact CG-CD1 4.02Å; P37-F87 HydrophobicContact CG-CE1 4.14Å; R49-F87 CarbonylContact C-O 3.3Å; R49-F87 VanDerWaalsContact C-O 3.3Å; A50-F87 WeakPolarHBondContact CA-O 3.16Å; A50-F87 HydrophobicContact CB-CB 3.96Å; A50-F87 WeakPolarHBondContact CB-O 3.34Å; A50-F87 PolarHBondContact N-O 2.99Å; V84-F87 PolarHBondContact O-N 2.85Å; K85-F87 PolarHBondContact O-N 2.82Å; F87-S90 WeakPolarHBondContact O-CB 3.42Å; F87-S90 PolarHBondContact O-N 3.24Å; F87-F92 HydrophobicContact CB-CE2 4.13Å; F87-F92 HydrophobicContact CB-CZ 4.36Å; F87-F92 HydrophobicContact CD1-CZ 4.19Å; F87-F92 AromaticContact CD2-CE2 3.74Å; F87-F92 HydrophobicContact CD2-CE2 3.74Å; F87-F92 AromaticContact CD2-CZ 3.68Å; F87-F92 HydrophobicContact CD2-CZ 3.68Å; F87-F92 HydrophobicContact CE1-CZ 4.41Å; F87-F92 HydrophobicContact CE2-CE2 4.31Å; F87-F92 AromaticContact CE2-CZ 3.9Å; F87-F92 HydrophobicContact CE2-CZ 3.9Å; F87-F92 AromaticContact CG-CE2 3.98Å; F87-F92 HydrophobicContact CG-CE2 3.98Å; F87-F92 AromaticContact CG-CZ 3.82Å; F87-F92 HydrophobicContact CG-CZ 3.82Å; F87-F92 HydrophobicContact CZ-CZ 4.27Å; F87-L125 HydrophobicContact CE2-CD2 4.4Å; F87-L125 HydrophobicContact CZ-CD2 4Å; F87-P126 HydrophobicContact CE2-CG 3.52Å; F87-P126 HydrophobicContact CZ-CG 3.82Å
88P96.8Very high97.5Very high65 Ų6552.1 Ų52.142%0.42223%0.233SC..THydrogen-bonded Turntrans-62.5142.9177.828.7-35000111.2T47 E86 S90T47-P88 WeakPolarHBondContact O-CB 3.2Å; E86-P88 VanDerWaalsContact C-CD 3.44Å; E86-P88 WeakPolarHBondContact O-CD 3.49Å; P88-S90 PolarHBondContact O-N 2.93Å; P88-S90 VanDerWaalsContact O-N 3.13Å
89R97.2Very high97.4Very high141 Ų14154.1 Ų54.153%0.53225%0.245SC..THydrogen-bonded Turntrans59.316.6-178.6-53.2179.6165.5135.13.2114.7A40 E45 L46A40-R89 VanDerWaalsContact CB-O 3.24Å; A40-R89 WeakPolarHBondContact CB-O 3.48Å; A40-R89 PolarHBondContact N-O 3.26Å; E45-R89 HydrophobicContact CG-CB 3.97Å; E45-R89 HydrophobicContact CG-CG 3.85Å; E45-R89 WeakPolarHBondContact OE1-CD 3.43Å; E45-R89 WeakPolarHBondContact OE1-CG 3.26Å; E45-R89 IonicContact OE1-CZ 3.91Å; E45-R89 IonicContact OE1-NE 2.84Å; E45-R89 PolarHBondContact OE1-NE 3.33Å; L46-R89 WeakPolarHBondContact O-CA 3.45Å; L46-R89 PolarHBondContact O-N 3.49Å
90S97.8Very high97.3Very high23 Ų2353.7 Ų53.716%0.16125%0.246CC..EExtended strand (participates in β ladder)trans-101.5161.9175.5-55.20000111.5D38 A50 Y51 F87 P88D38-S90 CarbonylContact O-C 3.39Å; D38-S90 WeakPolarHBondContact O-CA 3.47Å; A50-S90 CarbonylContact C-O 3.42Å; A50-S90 VanDerWaalsContact CA-O 3.23Å; A50-S90 WeakPolarHBondContact CA-O 3.5Å; Y51-S90 PolarHBondContact N-O 2.95Å; F87-S90 WeakPolarHBondContact O-CB 3.42Å; F87-S90 PolarHBondContact O-N 3.24Å; P88-S90 PolarHBondContact O-N 2.93Å; P88-S90 VanDerWaalsContact O-N 3.13Å
91K97.8Very high97Very high32 Ų3248.4 Ų48.414%0.13924%0.236CC..EExtended strand (participates in β ladder)trans-123.6132.3173.9177.6168.8-177.3163.60110.6D38 A40 D44 Y51 D53D38-K91 PolarHBondContact N-O 2.97Å; D38-K91 PolarHBondContact O-N 2.84Å; A40-K91 HydrophobicContact CB-CB 4.33Å; D44-K91 IonicContact OD2-NZ 3.27Å; D44-K91 PolarHBondContact OD2-NZ 2.94Å; Y51-K91 HydrophobicContact CD1-CD 4.02Å; Y51-K91 HydrophobicContact CD1-CG 4.09Å; Y51-K91 CarbonylContact O-C 3.59Å; Y51-K91 VanDerWaalsContact O-CA 3.3Å; Y51-K91 WeakPolarHBondContact O-CA 3.19Å; D53-K91 VanDerWaalsContact CB-CE 3.49Å; D53-K91 WeakPolarHBondContact OD2-CE 3.36Å; D53-K91 IonicContact OD2-NZ 3.84Å; D53-K91 PolarHBondContact OD2-NZ 3.09Å
92F98.2Very high96.6Very high0 Ų049.9 Ų49.90%025%0.252CS..EExtended strand (participates in β ladder)trans-103.8134.5163.4-67.5-69.3000109.5I34 Y35 P37 A50 Y51 V52 D53 I82 F87 L125I34-F92 HydrophobicContact CD1-CD1 4.3Å; Y35-F92 WeakPolarHBondContact O-CA 3.41Å; P37-F92 HydrophobicContact CB-CE1 3.79Å; P37-F92 HydrophobicContact CB-CZ 3.87Å; P37-F92 HydrophobicContact CG-CE1 4.28Å; P37-F92 HydrophobicContact CG-CZ 4.43Å; A50-F92 HydrophobicContact CB-CD2 3.65Å; A50-F92 HydrophobicContact CB-CE2 3.66Å; Y51-F92 PolarHBondContact O-N 3.07Å; V52-F92 HydrophobicContact CG2-CB 4.47Å; D53-F92 PolarHBondContact N-O 3.25Å; I82-F92 HydrophobicContact CD1-CD2 4.24Å; I82-F92 HydrophobicContact CD1-CG 4.29Å; I82-F92 HydrophobicContact CG2-CD2 4.31Å; I82-F92 HydrophobicContact CG2-CE2 3.9Å; I82-F92 HydrophobicContact CG2-CZ 4.4Å; F87-F92 HydrophobicContact CB-CE2 4.13Å; F87-F92 HydrophobicContact CB-CZ 4.36Å; F87-F92 HydrophobicContact CD1-CZ 4.19Å; F87-F92 AromaticContact CD2-CE2 3.74Å; F87-F92 HydrophobicContact CD2-CE2 3.74Å; F87-F92 AromaticContact CD2-CZ 3.68Å; F87-F92 HydrophobicContact CD2-CZ 3.68Å; F87-F92 HydrophobicContact CE1-CZ 4.41Å; F87-F92 HydrophobicContact CE2-CE2 4.31Å; F87-F92 AromaticContact CE2-CZ 3.9Å; F87-F92 HydrophobicContact CE2-CZ 3.9Å; F87-F92 AromaticContact CG-CE2 3.98Å; F87-F92 HydrophobicContact CG-CE2 3.98Å; F87-F92 AromaticContact CG-CZ 3.82Å; F87-F92 HydrophobicContact CG-CZ 3.82Å; F87-F92 HydrophobicContact CZ-CZ 4.27Å; F92-L125 HydrophobicContact CD1-CD1 4.1Å; F92-L125 HydrophobicContact CE1-CD1 3.67Å; F92-L125 HydrophobicContact CE1-CD2 3.66Å; F92-L125 HydrophobicContact CE1-CG 4.34Å; F92-L125 HydrophobicContact CZ-CD1 4.15Å; F92-L125 HydrophobicContact CZ-CD2 3.84Å
93T98.1Very high96.3Very high20 Ų2050.7 Ų50.712%0.12326%0.257CS..EExtended strand (participates in β ladder)trans-116.4117.7175.6-54.90000109.2I34 Y35 D53 R95I34-T93 CarbonylContact C-O 3.6Å; I34-T93 WeakPolarHBondContact CA-O 3.36Å; Y35-T93 HydrophobicContact CD2-CG2 4.5Å; Y35-T93 WeakPolarHBondContact CD2-O 3.25Å; Y35-T93 PolarHBondContact N-O 2.91Å; Y35-T93 PolarHBondContact O-N 2.86Å; D53-T93 CarbonylContact O-C 3.58Å; D53-T93 WeakPolarHBondContact O-CA 3.42Å; T93-R95 HydrophobicContact CG2-CG 4.42Å
94G98.3Very high95.8Very high0 Ų049.1 Ų49.10%025%0.248CC..EExtended strand (participates in β ladder)trans-97.3134.1169.500000110.8S33 D53 V54 T55S33-G94 CarbonylContact O-C 3.41Å; S33-G94 WeakPolarHBondContact O-CA 3.08Å; D53-G94 PolarHBondContact O-N 3.23Å; V54-G94 WeakPolarHBondContact CA-O 3.22Å; T55-G94 PolarHBondContact N-O 2.81Å
95R98.2Very high95.6Very high139 Ų13951.7 Ų51.753%0.52526%0.259SS..EExtended strand (participates in β ladder)trans-122.7117.1173-67.3-174.3-175.7167.3-0.2109.6F32 S33 Y35 T55 T93F32-R95 WeakPolarHBondContact CA-O 3.3Å; F32-R95 WeakPolarHBondContact CD2-O 3.47Å; S33-R95 PolarHBondContact N-O 2.74Å; S33-R95 PolarHBondContact O-N 2.58Å; Y35-R95 HydrophobicContact CE2-CB 4.21Å; Y35-R95 HydrophobicContact CE2-CG 3.84Å; T55-R95 WeakPolarHBondContact O-CA 3.38Å; T93-R95 HydrophobicContact CG2-CG 4.42Å
96L98.4Very high95.4Very high1 Ų144.5 Ų44.51%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-102.2126.1171.8-175.471.4000109.6V30 V31 F32 T55 V56 T57 L70 L74 I98 A112V30-L96 HydrophobicContact CB-CD1 4.05Å; V30-L96 HydrophobicContact CG2-CD1 4.4Å; V31-L96 WeakPolarHBondContact O-CA 3.16Å; F32-L96 HydrophobicContact CB-CD1 4.08Å; F32-L96 HydrophobicContact CD2-CB 4Å; F32-L96 HydrophobicContact CD2-CD1 4.08Å; T55-L96 PolarHBondContact O-N 3.27Å; V56-L96 CarbonylContact C-O 3.5Å; V56-L96 WeakPolarHBondContact CA-O 3.48Å; V56-L96 HydrophobicContact CG1-CD2 4.3Å; V56-L96 HydrophobicContact CG2-CB 4.2Å; V56-L96 HydrophobicContact CG2-CD2 4.08Å; T57-L96 PolarHBondContact N-O 3.27Å; L70-L96 HydrophobicContact CD2-CD2 4.12Å; L74-L96 HydrophobicContact CD1-CD2 3.67Å; L96-I98 HydrophobicContact CD2-CG1 4.42Å; L96-A112 HydrophobicContact CD1-CB 3.87Å; L96-A112 HydrophobicContact CD2-CB 3.67Å; L96-A112 HydrophobicContact CG-CB 4.46Å
97F97.3Very high95.2Very high91 Ų9143.5 Ų43.540%0.39922%0.22SC..EExtended strand (participates in β ladder)trans-112.7122.4170.3-174-100.9000109.8V30 V31 T57 V99V30-F97 CarbonylContact C-O 3.58Å; V30-F97 WeakPolarHBondContact CA-O 3.37Å; V31-F97 HydrophobicContact CB-CB 4.44Å; V31-F97 PolarHBondContact N-O 2.91Å; V31-F97 PolarHBondContact O-N 3.49Å; T57-F97 HydrophobicContact CG2-CD2 3.71Å; T57-F97 HydrophobicContact CG2-CE2 3.86Å; F97-V99 HydrophobicContact CD1-CG2 3.6Å; F97-V99 HydrophobicContact CE1-CB 4.43Å; F97-V99 HydrophobicContact CE1-CG2 3.79Å
98I97.1Very high95.2Very high1 Ų141.6 Ų41.61%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-90.9110177.3-59.8172.1000108.1V30 V56 T57 R59 L70 L96 T103 T108V30-I98 HydrophobicContact CG1-CG1 4.38Å; V56-I98 HydrophobicContact CG1-CD1 3.97Å; V56-I98 HydrophobicContact CG1-CG1 4.48Å; T57-I98 PolarHBondContact O-N 3.28Å; T57-I98 VanDerWaalsContact O-N 3.11Å; R59-I98 WeakPolarHBondContact CA-O 3.48Å; R59-I98 VanDerWaalsContact CB-O 3.26Å; R59-I98 WeakPolarHBondContact CB-O 3.27Å; R59-I98 PolarHBondContact N-O 2.58Å; L70-I98 HydrophobicContact CD2-CD1 4.45Å; L96-I98 HydrophobicContact CD2-CG1 4.42Å; I98-T103 HydrophobicContact CD1-CG2 4.02Å; I98-T108 HydrophobicContact CD1-CG2 4.24Å; I98-T108 HydrophobicContact CG1-CG2 4.34Å; I98-T108 HydrophobicContact CG2-CG2 4.08Å
99V96.4Very high95.1Very high41 Ų4138.5 Ų38.525%0.24819%0.191CC..SBendtrans-84.5-45.9178.7-172.90000110.5H29 V31 R59 F97H29-V99 HydrophobicContact CB-CB 4.02Å; H29-V99 WeakPolarHBondContact ND1-CB 3.31Å; H29-V99 WeakPolarHBondContact ND1-CG1 3.47Å; H29-V99 WeakPolarHBondContact O-CA 3.24Å; H29-V99 WeakPolarHBondContact O-CB 3.43Å; H29-V99 PolarHBondContact O-N 3.01Å; V31-V99 HydrophobicContact CG2-CG2 3.9Å; R59-V99 WeakPolarHBondContact CD-O 3.45Å; R59-V99 WeakPolarHBondContact CG-O 3.42Å; R59-V99 PolarHBondContact NE-O 3.31Å; F97-V99 HydrophobicContact CD1-CG2 3.6Å; F97-V99 HydrophobicContact CE1-CB 4.43Å; F97-V99 HydrophobicContact CE1-CG2 3.79Å
100T94.5Very high95.1Very high41 Ų4132.1 Ų32.125%0.25217%0.168SC..SBendtrans-139.8152.1174.270.20000111.2G27 H29G27-T100 WeakPolarHBondContact O-CB 3.36Å; G27-T100 PolarHBondContact O-OG1 2.98Å; H29-T100 HydrophobicContact CB-CG2 4.29Å; H29-T100 WeakPolarHBondContact CB-OG1 3.5Å; H29-T100 PolarHBondContact N-O 2.98Å; H29-T100 PolarHBondContact N-OG1 3.37Å; H29-T100 PolarHBondContact O-N 2.85Å
101G91Very high95Very high32 Ų3231.1 Ų31.133%0.3316%0.162SC..SBendtrans102.8174.5-173.800000113.1
102G89.5Confident95Very high35 Ų3529.7 Ų29.736%0.36116%0.156SC..  trans-104.1141.9177.600000111.9N104 H105 T108G102-N104 PolarHBondContact O-N 3.38Å; G102-H105 VanDerWaalsContact O-CB 3.27Å; G102-H105 WeakPolarHBondContact O-CB 3.44Å; G102-H105 PolarHBondContact O-N 3.36Å; G102-T108 PolarHBondContact N-OG1 2.88Å; G102-T108 WeakPolarHBondContact O-CB 3.18Å; G102-T108 PolarHBondContact O-OG1 2.82Å
103T90Very high95Very high16 Ų1629.7 Ų29.710%0.09816%0.156CC..THydrogen-bonded Turntrans-54.1-46.2-175-490000113.8V56 K66 E67 L70 I98 H105V56-T103 HydrophobicContact CG1-CG2 4.48Å; K66-T103 HydrophobicContact CB-CG2 4.31Å; E67-T103 HydrophobicContact CB-CG2 4.34Å; E67-T103 HydrophobicContact CG-CG2 3.79Å; E67-T103 VanDerWaalsContact OE1-CB 3.27Å; E67-T103 WeakPolarHBondContact OE1-CB 3.2Å; E67-T103 WeakPolarHBondContact OE1-CG2 3.33Å; E67-T103 PolarHBondContact OE1-OG1 2.92Å; L70-T103 HydrophobicContact CB-CG2 4.16Å; L70-T103 HydrophobicContact CD2-CG2 3.81Å; I98-T103 HydrophobicContact CD1-CG2 4.02Å; T103-H105 VanDerWaalsContact C-N 3.34Å
104N87.8Confident95Very high16 Ų1628.9 Ų28.99%0.08615%0.151CC..THydrogen-bonded Turntrans-94.311.3-179.9-70.411.3000113.1K66 E69 G102 P106 Y170K66-N104 PolarHBondContact O-OD1 2.91Å; E69-N104 PolarHBondContact OE2-ND2 3.04Å; G102-N104 PolarHBondContact O-N 3.38Å; N104-P106 WeakPolarHBondContact O-CD 3.41Å; N104-Y170 WeakPolarHBondContact CA-OH 3.32Å
105H92.3Very high95Very high65 Ų6528.9 Ų28.930%0.30115%0.151SC..  trans-80.8124.4178.8-169.5-78.6000109.4H28 G102 T103 R107 T108 V109H28-H105 AromaticContact CE1-CE1 3.74Å; H28-H105 AromaticContact CE1-CG 3.76Å; H28-H105 AromaticContact CE1-ND1 3.28Å; H28-H105 PolarHBondContact CE1-ND1 3.24Å; H28-H105 VanDerWaalsContact CE1-ND1 3.28Å; H28-H105 AromaticContact NE2-CE1 3.73Å; H28-H105 AromaticContact NE2-ND1 3.68Å; G102-H105 VanDerWaalsContact O-CB 3.27Å; G102-H105 WeakPolarHBondContact O-CB 3.44Å; G102-H105 PolarHBondContact O-N 3.36Å; T103-H105 VanDerWaalsContact C-N 3.34Å; H105-R107 VanDerWaalsContact C-N 3.26Å; H105-R107 PolarHBondContact ND1-N 3.34Å; H105-R107 PolarHBondContact O-N 3.33Å; H105-R107 VanDerWaalsContact O-N 3.11Å; H105-T108 WeakPolarHBondContact O-CA 3.4Å; H105-T108 WeakPolarHBondContact O-CB 3.43Å; H105-T108 PolarHBondContact O-N 3Å; H105-V109 PolarHBondContact O-N 2.84Å; H105-V109 VanDerWaalsContact O-N 3.14Å
106P93.5Very high95Very high6 Ų622.3 Ų22.34%0.03913%0.126CC..Hα-helixtrans-53-39-174.5-30.537000114N104 T108 V109 A110 L142 T144 T174N104-P106 WeakPolarHBondContact O-CD 3.41Å; P106-T108 PolarHBondContact O-N 2.91Å; P106-V109 CarbonylContact O-C 3.6Å; P106-V109 PolarHBondContact O-N 3.41Å; P106-V109 VanDerWaalsContact O-N 3.15Å; P106-A110 PolarHBondContact O-N 3Å; P106-L142 HydrophobicContact CB-CB 3.99Å; P106-L142 HydrophobicContact CG-CB 3.8Å; P106-L142 VanDerWaalsContact CG-O 3.3Å; P106-L142 WeakPolarHBondContact CG-O 3.43Å; P106-T144 WeakPolarHBondContact CA-OG1 3.45Å; P106-T144 WeakPolarHBondContact CB-OG1 3.07Å; P106-T144 PolarHBondContact O-OG1 2.83Å; P106-T174 HydrophobicContact CG-CG2 4.5Å
107R93.3Very high94.9Very high108 Ų10822.4 Ų22.441%0.40813%0.127SC..Hα-helixtrans-62.9-35.9174.6-64-178-173175.2-0.5114.2H28 H105 V109 A110 A111 C135H28-R107 VanDerWaalsContact CD2-CB 3.42Å; H28-R107 WeakPolarHBondContact CD2-CB 3.41Å; H28-R107 WeakPolarHBondContact NE2-CB 3.48Å; H105-R107 VanDerWaalsContact C-N 3.26Å; H105-R107 PolarHBondContact ND1-N 3.34Å; H105-R107 PolarHBondContact O-N 3.33Å; H105-R107 VanDerWaalsContact O-N 3.11Å; R107-V109 VanDerWaalsContact C-N 3.33Å; R107-A110 PolarHBondContact O-N 3.37Å; R107-A111 PolarHBondContact O-N 2.89Å; R107-C135 HydrophobicContact CG-CB 3.93Å; R107-C135 VanDerWaalsContact CG-SG 3.52Å
108T95.2Very high94.9Very high0 Ų018.1 Ų18.10%011%0.108CC..Hα-helixtrans-66-40.8173.5-48.40000110.1H28 V30 I98 G102 H105 P106 A110 A111 A112H28-T108 PolarHBondContact CE1-OG1 2.88Å; H28-T108 PolarHBondContact ND1-N 3.1Å; H28-T108 PolarHBondContact ND1-OG1 3.31Å; V30-T108 HydrophobicContact CG1-CG2 3.92Å; I98-T108 HydrophobicContact CD1-CG2 4.24Å; I98-T108 HydrophobicContact CG1-CG2 4.34Å; I98-T108 HydrophobicContact CG2-CG2 4.08Å; G102-T108 PolarHBondContact N-OG1 2.88Å; G102-T108 WeakPolarHBondContact O-CB 3.18Å; G102-T108 PolarHBondContact O-OG1 2.82Å; H105-T108 WeakPolarHBondContact O-CA 3.4Å; H105-T108 WeakPolarHBondContact O-CB 3.43Å; H105-T108 PolarHBondContact O-N 3Å; P106-T108 PolarHBondContact O-N 2.91Å; T108-A110 VanDerWaalsContact C-N 3.32Å; T108-A110 PolarHBondContact O-N 3.38Å; T108-A111 PolarHBondContact O-N 2.73Å; T108-A112 WeakPolarHBondContact O-CB 3.21Å; T108-A112 PolarHBondContact O-N 2.98Å
109V96.3Very high95Very high0 Ų018 Ų180%011%0.108CC..Hα-helixtrans-66.1-37.2176.5-178.70000111.1L70 Y73 H105 P106 R107 A112 I113 Y170L70-V109 HydrophobicContact CD1-CG1 4.24Å; L70-V109 HydrophobicContact CD1-CG2 3.77Å; Y73-V109 HydrophobicContact CD1-CG1 4.41Å; Y73-V109 HydrophobicContact CE1-CG1 3.94Å; H105-V109 PolarHBondContact O-N 2.84Å; H105-V109 VanDerWaalsContact O-N 3.14Å; P106-V109 CarbonylContact O-C 3.6Å; P106-V109 PolarHBondContact O-N 3.41Å; P106-V109 VanDerWaalsContact O-N 3.15Å; R107-V109 VanDerWaalsContact C-N 3.33Å; V109-A112 PolarHBondContact O-N 3.44Å; V109-I113 HydrophobicContact CG1-CD1 3.93Å; V109-I113 HydrophobicContact CG1-CG1 4.32Å; V109-I113 VanDerWaalsContact O-CG1 3.23Å; V109-I113 WeakPolarHBondContact O-CG1 3.45Å; V109-I113 PolarHBondContact O-N 2.86Å; V109-Y170 HydrophobicContact CB-CD1 3.9Å; V109-Y170 HydrophobicContact CB-CE1 4.14Å; V109-Y170 HydrophobicContact CB-CG 4.3Å; V109-Y170 HydrophobicContact CG1-CD1 3.95Å; V109-Y170 HydrophobicContact CG1-CD2 4.23Å; V109-Y170 HydrophobicContact CG1-CE1 4.45Å; V109-Y170 HydrophobicContact CG1-CG 3.82Å; V109-Y170 HydrophobicContact CG2-CD1 3.78Å; V109-Y170 HydrophobicContact CG2-CE1 3.49Å; V109-Y170 VanDerWaalsContact CG2-CE1 3.49Å; V109-Y170 HydrophobicContact CG2-CE2 4.39Å; V109-Y170 HydrophobicContact CG2-CG 4.34Å
110A96.1Very high95Very high7 Ų716.2 Ų16.26%0.05810%0.096CC..Hα-helixtrans-61.5-47.3173.700000111.4P106 R107 T108 A112 I113 N114 S133 C135 T144P106-A110 PolarHBondContact O-N 3Å; R107-A110 PolarHBondContact O-N 3.37Å; T108-A110 VanDerWaalsContact C-N 3.32Å; T108-A110 PolarHBondContact O-N 3.38Å; A110-A112 VanDerWaalsContact C-N 3.32Å; A110-A112 PolarHBondContact O-N 3.34Å; A110-I113 PolarHBondContact O-N 3.49Å; A110-N114 PolarHBondContact O-N 3.02Å; A110-N114 PolarHBondContact O-ND2 2.76Å; A110-S133 WeakPolarHBondContact CA-OG 3.41Å; A110-C135 HydrophobicContact CB-CB 4.05Å; A110-T144 HydrophobicContact CB-CG2 3.68Å
111A96.5Very high95Very high3 Ų316.7 Ų16.73%0.02510%0.097CC..Hα-helixtrans-58.8-43.1173.800000111.9W23 H28 V30 R107 T108 N114 A115W23-A111 HydrophobicContact CG-CB 4.47Å; H28-A111 HydrophobicContact CB-CB 4.29Å; V30-A111 HydrophobicContact CG1-CB 4.37Å; V30-A111 HydrophobicContact CG2-CB 3.85Å; R107-A111 PolarHBondContact O-N 2.89Å; T108-A111 PolarHBondContact O-N 2.73Å; A111-N114 PolarHBondContact O-N 3.45Å; A111-A115 WeakPolarHBondContact O-CB 3.34Å; A111-A115 PolarHBondContact O-N 2.85Å
112A98Very high95.2Very high1 Ų117 Ų171%0.0089%0.091CC..Hα-helixtrans-62.8-45.5178.800000112.2L96 T108 V109 A110 N114 A115 I116L96-A112 HydrophobicContact CD1-CB 3.87Å; L96-A112 HydrophobicContact CD2-CB 3.67Å; L96-A112 HydrophobicContact CG-CB 4.46Å; T108-A112 WeakPolarHBondContact O-CB 3.21Å; T108-A112 PolarHBondContact O-N 2.98Å; V109-A112 PolarHBondContact O-N 3.44Å; A110-A112 VanDerWaalsContact C-N 3.32Å; A110-A112 PolarHBondContact O-N 3.34Å; A112-N114 VanDerWaalsContact C-N 3.31Å; A112-N114 PolarHBondContact O-N 3.36Å; A112-A115 PolarHBondContact O-N 3Å; A112-I116 WeakPolarHBondContact O-CB 3.39Å; A112-I116 WeakPolarHBondContact O-CD1 3.31Å; A112-I116 WeakPolarHBondContact O-CG1 3.46Å; A112-I116 PolarHBondContact O-N 3.46Å
113I98.2Very high95.4Very high0 Ų016.3 Ų16.30%08%0.081CC..Hα-helixtrans-62.7-40.9177.2-66168.2000110.7Y73 L74 L77 V109 A110 I116 S117 I131 T144 A146Y73-I113 HydrophobicContact CE1-CD1 4.07Å; L74-I113 HydrophobicContact CD2-CG1 4.34Å; L77-I113 HydrophobicContact CD2-CB 4.47Å; L77-I113 HydrophobicContact CD2-CG1 3.83Å; L77-I113 HydrophobicContact CD2-CG2 4.16Å; V109-I113 HydrophobicContact CG1-CD1 3.93Å; V109-I113 HydrophobicContact CG1-CG1 4.32Å; V109-I113 VanDerWaalsContact O-CG1 3.23Å; V109-I113 WeakPolarHBondContact O-CG1 3.45Å; V109-I113 PolarHBondContact O-N 2.86Å; A110-I113 PolarHBondContact O-N 3.49Å; I113-I116 PolarHBondContact O-N 3.3Å; I113-S117 WeakPolarHBondContact O-CB 3.29Å; I113-S117 PolarHBondContact O-N 2.99Å; I113-I131 HydrophobicContact CG2-CD1 3.45Å; I113-I131 VanDerWaalsContact CG2-CD1 3.45Å; I113-I131 HydrophobicContact CG2-CG1 4.15Å; I113-T144 HydrophobicContact CD1-CG2 4.08Å; I113-A146 HydrophobicContact CD1-CB 4.37Å; I113-A146 HydrophobicContact CG2-CB 4.24Å
114N97.7Very high95.6Very high4 Ų418.8 Ų18.82%0.02111%0.11CC..Hα-helixtrans-66.5-42.4177.7-72.7-26.8000112.2W23 A110 A111 A112 I116 S117 L118 S133 M229W23-N114 HydrophobicContact CD2-CB 3.59Å; W23-N114 HydrophobicContact CE3-CB 3.76Å; W23-N114 HydrophobicContact CG-CB 4.22Å; W23-N114 HydrophobicContact CH2-CB 3.9Å; W23-N114 HydrophobicContact CZ2-CB 3.72Å; W23-N114 HydrophobicContact CZ3-CB 3.91Å; A110-N114 PolarHBondContact O-N 3.02Å; A110-N114 PolarHBondContact O-ND2 2.76Å; A111-N114 PolarHBondContact O-N 3.45Å; A112-N114 VanDerWaalsContact C-N 3.31Å; A112-N114 PolarHBondContact O-N 3.36Å; N114-I116 VanDerWaalsContact C-N 3.34Å; N114-I116 PolarHBondContact O-N 2.88Å; N114-S117 PolarHBondContact O-N 2.82Å; N114-L118 WeakPolarHBondContact O-CB 3.49Å; N114-L118 PolarHBondContact O-N 2.89Å; N114-S133 PolarHBondContact ND2-O 2.92Å; N114-S133 WeakPolarHBondContact OD1-CA 3.48Å; N114-S133 WeakPolarHBondContact OD1-CB 3.4Å; N114-S133 PolarHBondContact OD1-N 2.85Å; N114-M229 HydrophobicContact CB-CE 3.52Å; N114-M229 WeakPolarHBondContact O-CE 3.27Å; N114-M229 WeakPolarHBondContact OD1-CE 3.39Å
115A97.8Very high96Very high0 Ų019 Ų190%011%0.111CC..Hα-helixtrans-61.4-42.1173.200000111.8W23 V30 F32 A111 A112 A119W23-A115 HydrophobicContact CB-CB 3.9Å; V30-A115 HydrophobicContact CG2-CB 3.93Å; F32-A115 HydrophobicContact CB-CB 3.84Å; A111-A115 WeakPolarHBondContact O-CB 3.34Å; A111-A115 PolarHBondContact O-N 2.85Å; A112-A115 PolarHBondContact O-N 3Å; A115-A119 VanDerWaalsContact O-CB 3.27Å; A115-A119 WeakPolarHBondContact O-CB 3.43Å; A115-A119 PolarHBondContact O-N 3.34Å
116I98.2Very high96.2Very high0 Ų018.4 Ų18.40%011%0.113CC..Hα-helixtrans-61.4-49175.1-72.3162.7000110.6F32 L74 M78 L81 A112 I113 N114 L118 A119 L120F32-I116 HydrophobicContact CB-CG1 4.37Å; F32-I116 HydrophobicContact CD1-CB 4.27Å; F32-I116 HydrophobicContact CD1-CG1 3.73Å; F32-I116 HydrophobicContact CD2-CD1 4.21Å; F32-I116 HydrophobicContact CD2-CG1 3.51Å; F32-I116 HydrophobicContact CE1-CB 4.33Å; F32-I116 HydrophobicContact CE1-CG1 3.82Å; F32-I116 HydrophobicContact CE1-CG2 4.42Å; F32-I116 HydrophobicContact CE2-CD1 4.14Å; F32-I116 HydrophobicContact CE2-CG1 3.62Å; F32-I116 HydrophobicContact CG-CB 4.49Å; F32-I116 HydrophobicContact CG-CG1 3.57Å; F32-I116 HydrophobicContact CZ-CG1 3.78Å; L74-I116 HydrophobicContact CB-CD1 4.43Å; L74-I116 HydrophobicContact CD1-CD1 4.12Å; L74-I116 HydrophobicContact CD2-CD1 3.71Å; L74-I116 HydrophobicContact CG-CD1 4.3Å; M78-I116 HydrophobicContact CG-CG2 3.92Å; M78-I116 HydrophobicContact SD-CG2 4.38Å; L81-I116 HydrophobicContact CD1-CG2 4.39Å; A112-I116 WeakPolarHBondContact O-CB 3.39Å; A112-I116 WeakPolarHBondContact O-CD1 3.31Å; A112-I116 WeakPolarHBondContact O-CG1 3.46Å; A112-I116 PolarHBondContact O-N 3.46Å; I113-I116 PolarHBondContact O-N 3.3Å; N114-I116 VanDerWaalsContact C-N 3.34Å; N114-I116 PolarHBondContact O-N 2.88Å; I116-L118 PolarHBondContact O-N 3.33Å; I116-A119 PolarHBondContact O-N 2.81Å; I116-L120 HydrophobicContact CG2-CD1 3.71Å; I116-L120 HydrophobicContact CG2-CG 4.2Å; I116-L120 WeakPolarHBondContact O-CB 3.42Å; I116-L120 VanDerWaalsContact O-CG 3.24Å; I116-L120 WeakPolarHBondContact O-CG 3.44Å; I116-L120 PolarHBondContact O-N 2.92Å
117S97.3Very high96.3Very high4 Ų420.4 Ų20.43%0.02812%0.123CC..Hα-helixtrans-57.8-48.4179.8-170.80000111.6I113 N114 L120 L121 I131I113-S117 WeakPolarHBondContact O-CB 3.29Å; I113-S117 PolarHBondContact O-N 2.99Å; N114-S117 PolarHBondContact O-N 2.82Å; S117-L120 PolarHBondContact O-N 2.98Å; S117-L121 WeakPolarHBondContact O-CG 3.37Å; S117-L121 PolarHBondContact O-N 3.26Å; S117-I131 WeakPolarHBondContact CB-O 3.46Å; S117-I131 PolarHBondContact OG-O 3.22Å
118L97.1Very high96.4Very high0 Ų023.2 Ų23.20%013%0.133CC..Hα-helixtrans-64.3-43.8177.6-177.954.8000112.7I9 T11 A21 N114 I116 L120 L121 L122 M229 I233I9-L118 HydrophobicContact CG2-CD2 3.28Å; T11-L118 HydrophobicContact CG2-CD1 4.38Å; T11-L118 HydrophobicContact CG2-CD2 4.07Å; T11-L118 HydrophobicContact CG2-CG 4.36Å; A21-L118 HydrophobicContact CB-CB 3.93Å; A21-L118 HydrophobicContact CB-CD2 3.89Å; A21-L118 HydrophobicContact CB-CG 3.81Å; N114-L118 WeakPolarHBondContact O-CB 3.49Å; N114-L118 PolarHBondContact O-N 2.89Å; I116-L118 PolarHBondContact O-N 3.33Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 2.83Å; L118-L121 PolarHBondContact O-N 3.44Å; L118-L122 HydrophobicContact CD1-CD1 4.34Å; L118-L122 HydrophobicContact CD1-CG 4.38Å; L118-L122 HydrophobicContact CG-CD1 4.21Å; L118-L122 VanDerWaalsContact O-CG 3.28Å; L118-L122 WeakPolarHBondContact O-CG 3.19Å; L118-L122 PolarHBondContact O-N 3.3Å; L118-M229 HydrophobicContact CB-CG 4.36Å; L118-M229 HydrophobicContact CD1-CB 4.11Å; L118-M229 HydrophobicContact CD1-CG 4.41Å; L118-I233 HydrophobicContact CD1-CD1 3.91Å; L118-I233 HydrophobicContact CD1-CG1 3.76Å
119A97.6Very high96.4Very high0 Ų023.5 Ų23.50%014%0.136CC..Hα-helixtrans-63.7-36.4176.900000112.6A21 F32 I34 A115 I116 L122 S123A21-A119 HydrophobicContact CB-CB 4.2Å; F32-A119 HydrophobicContact CD1-CB 3.64Å; F32-A119 HydrophobicContact CE1-CB 4.19Å; I34-A119 HydrophobicContact CG2-CB 4.43Å; A115-A119 VanDerWaalsContact O-CB 3.27Å; A115-A119 WeakPolarHBondContact O-CB 3.43Å; A115-A119 PolarHBondContact O-N 3.34Å; I116-A119 PolarHBondContact O-N 2.81Å; A119-L122 PolarHBondContact O-N 2.86Å; A119-S123 WeakPolarHBondContact O-CB 3.18Å; A119-S123 PolarHBondContact O-N 2.75Å
120L97.2Very high96.3Very high2 Ų224.5 Ų24.51%0.0114%0.142CC..Hα-helixtrans-70.2-36175.1-73.4177.5000112.4I34 M78 L81 I82 I116 S117 L118 L122 S123 L125 L127I34-L120 HydrophobicContact CD1-CD2 3.43Å; I34-L120 VanDerWaalsContact CD1-CD2 3.43Å; M78-L120 HydrophobicContact CE-CD2 4.49Å; L81-L120 HydrophobicContact CB-CD1 4.01Å; L81-L120 HydrophobicContact CD1-CD1 3.78Å; I82-L120 HydrophobicContact CD1-CD2 3.93Å; I82-L120 HydrophobicContact CG1-CD2 3.92Å; I116-L120 HydrophobicContact CG2-CD1 3.71Å; I116-L120 HydrophobicContact CG2-CG 4.2Å; I116-L120 WeakPolarHBondContact O-CB 3.42Å; I116-L120 VanDerWaalsContact O-CG 3.24Å; I116-L120 WeakPolarHBondContact O-CG 3.44Å; I116-L120 PolarHBondContact O-N 2.92Å; S117-L120 PolarHBondContact O-N 2.98Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 2.83Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-S123 PolarHBondContact O-N 3.5Å; L120-S123 PolarHBondContact O-OG 3.22Å; L120-L125 HydrophobicContact CD2-CD1 4.34Å; L120-L127 HydrophobicContact CB-CD1 3.9Å; L120-L127 HydrophobicContact CB-CD2 4.05Å; L120-L127 HydrophobicContact CD1-CD2 4.37Å; L120-L127 HydrophobicContact CD2-CD2 4.34Å; L120-L127 HydrophobicContact CG-CD2 4.5Å
121L95.4Very high96.3Very high52 Ų5224.2 Ų24.227%0.27214%0.139SC..Hα-helixtrans-65-40.5173.2-73.1170.5000111.5S117 L118 S123 L127 T130 I233S117-L121 WeakPolarHBondContact O-CG 3.37Å; S117-L121 PolarHBondContact O-N 3.26Å; L118-L121 PolarHBondContact O-N 3.44Å; L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 3.3Å; L121-L127 HydrophobicContact CD2-CD1 4.29Å; L121-T130 HydrophobicContact CD1-CG2 3.84Å; L121-T130 HydrophobicContact CD2-CG2 3.91Å; L121-T130 HydrophobicContact CG-CG2 4.17Å; L121-I233 HydrophobicContact CB-CD1 3.8Å; L121-I233 HydrophobicContact CD1-CD1 4.02Å
122L94.8Very high96.3Very high39 Ų3924 Ų2420%0.20414%0.138CC..Hα-helixtrans-69.3-28.9177.9-70.1167.5000113T11 S20 L118 A119 L120 G124 I233T11-L122 HydrophobicContact CG2-CD1 3.73Å; T11-L122 HydrophobicContact CG2-CD2 4.41Å; S20-L122 WeakPolarHBondContact O-CD1 3.36Å; L118-L122 HydrophobicContact CD1-CD1 4.34Å; L118-L122 HydrophobicContact CD1-CG 4.38Å; L118-L122 HydrophobicContact CG-CD1 4.21Å; L118-L122 VanDerWaalsContact O-CG 3.28Å; L118-L122 WeakPolarHBondContact O-CG 3.19Å; L118-L122 PolarHBondContact O-N 3.3Å; A119-L122 PolarHBondContact O-N 2.86Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L122-G124 PolarHBondContact O-N 3.07Å; L122-I233 HydrophobicContact CD2-CG1 3.96Å; L122-I233 HydrophobicContact CG-CG1 4.49Å
123S94.4Very high96.2Very high19 Ų1924 Ų2413%0.13314%0.138CC..THydrogen-bonded Turntrans-74.7-12.1-174.972.60000114.7I18 A119 L120 L121 L125I18-S123 WeakPolarHBondContact O-CA 3.46Å; A119-S123 WeakPolarHBondContact O-CB 3.18Å; A119-S123 PolarHBondContact O-N 2.75Å; L120-S123 PolarHBondContact O-N 3.5Å; L120-S123 PolarHBondContact O-OG 3.22Å; L121-S123 VanDerWaalsContact C-N 3.31Å; L121-S123 PolarHBondContact O-N 3.3Å; S123-L125 PolarHBondContact O-N 3.01Å; S123-L125 WeakPolarHBondContact OG-CD1 3.45Å; S123-L125 VanDerWaalsContact OG-CG 3.29Å; S123-L125 WeakPolarHBondContact OG-CG 3.39Å
124G92.7Very high96Very high69 Ų6924.4 Ų24.471%0.71114%0.14SC*.THydrogen-bonded Turntrans66.713.4-179.400000114.1L122L122-G124 PolarHBondContact O-N 3.07Å
125L95.9Very high95.7Very high21 Ų2125.9 Ų25.911%0.1115%0.151CC..  trans-68.2148.9175.9-66.2175.6000110.7I18 I34 I82 F87 F92 L120 S123 L127I18-L125 HydrophobicContact CD1-CD1 3.91Å; I18-L125 HydrophobicContact CD1-CD2 4.1Å; I18-L125 HydrophobicContact CD1-CG 4.08Å; I34-L125 HydrophobicContact CD1-CD1 3.71Å; I82-L125 HydrophobicContact CD1-CD1 4.33Å; F87-L125 HydrophobicContact CE2-CD2 4.4Å; F87-L125 HydrophobicContact CZ-CD2 4Å; F92-L125 HydrophobicContact CD1-CD1 4.1Å; F92-L125 HydrophobicContact CE1-CD1 3.67Å; F92-L125 HydrophobicContact CE1-CD2 3.66Å; F92-L125 HydrophobicContact CE1-CG 4.34Å; F92-L125 HydrophobicContact CZ-CD1 4.15Å; F92-L125 HydrophobicContact CZ-CD2 3.84Å; L120-L125 HydrophobicContact CD2-CD1 4.34Å; S123-L125 PolarHBondContact O-N 3.01Å; S123-L125 WeakPolarHBondContact OG-CD1 3.45Å; S123-L125 VanDerWaalsContact OG-CG 3.29Å; S123-L125 WeakPolarHBondContact OG-CG 3.39Å; L125-L127 HydrophobicContact CB-CD2 4.33Å; L125-L127 PolarHBondContact O-N 3.27Å; L125-L127 VanDerWaalsContact O-N 3.15Å
126P96.8Very high95.2Very high52 Ų5228.3 Ų28.334%0.33816%0.162SC..  trans-66.2115.7170.228.4-33.1000109.3D83 E86 F87D83-P126 HydrophobicContact CB-CB 4.2Å; D83-P126 HydrophobicContact CB-CG 4.27Å; D83-P126 PolarHBondContact N-O 3.09Å; E86-P126 HydrophobicContact CB-CG 4.41Å; E86-P126 HydrophobicContact CG-CG 4.4Å; F87-P126 HydrophobicContact CE2-CG 3.52Å; F87-P126 HydrophobicContact CZ-CG 3.82Å
127L96.9Very high94.5Very high48 Ų4831.8 Ų31.825%0.25118%0.183SC..BIsolated β-bridgetrans-106.3143178.9-55.1-178.6000110.8L81 I82 L120 L121 L125L81-L127 CarbonylContact O-C 3.58Å; L81-L127 VanDerWaalsContact O-CA 3.3Å; L81-L127 WeakPolarHBondContact O-CA 3.2Å; I82-L127 HydrophobicContact CG1-CD2 4.25Å; L120-L127 HydrophobicContact CB-CD1 3.9Å; L120-L127 HydrophobicContact CB-CD2 4.05Å; L120-L127 HydrophobicContact CD1-CD2 4.37Å; L120-L127 HydrophobicContact CD2-CD2 4.34Å; L120-L127 HydrophobicContact CG-CD2 4.5Å; L121-L127 HydrophobicContact CD2-CD1 4.29Å; L125-L127 HydrophobicContact CB-CD2 4.33Å; L125-L127 PolarHBondContact O-N 3.27Å; L125-L127 VanDerWaalsContact O-N 3.15Å
128R95.2Very high93.8Very high166 Ų16631.8 Ų31.863%0.62618%0.183SC*.SBendtrans-81.4-25.4176.4-63179.762.7-173.2-0.4112.9R80 L81 D83R80-R128 WeakPolarHBondContact O-CD 3.45Å; L81-R128 PolarHBondContact O-N 3.16Å; D83-R128 HydrophobicContact CB-CG 4.19Å
129A94.3Very high92.7Very high6 Ų637.7 Ų37.75%0.0521%0.21CC..  trans-156.9153.4177.300000109.4L81 F167L81-A129 HydrophobicContact CD2-CB 4.42Å; A129-F167 HydrophobicContact CB-CD2 4.32Å; A129-F167 HydrophobicContact CB-CE2 4.07Å
130T94.4Very high91.7Very high22 Ų2244.4 Ų44.414%0.13525%0.246CC..  trans-103.5136.4162.7-53.40000108L121 V149 L226L121-T130 HydrophobicContact CD1-CG2 3.84Å; L121-T130 HydrophobicContact CD2-CG2 3.91Å; L121-T130 HydrophobicContact CG-CG2 4.17Å; T130-V149 HydrophobicContact CG2-CG2 3.9Å; T130-V149 VanDerWaalsContact O-CG2 3.22Å; T130-V149 WeakPolarHBondContact O-CG2 3.47Å; T130-V149 PolarHBondContact O-N 2.97Å; T130-L226 HydrophobicContact CG2-CD1 4.08Å
131I96.4Very high90.9Very high0 Ų044.3 Ų44.30%025%0.246CC..EExtended strand (participates in β ladder)trans-122.1148.5-177.261170.7000112.2L77 L81 I113 S117 A146 V147 F167L77-I131 HydrophobicContact CD1-CD1 4.08Å; L77-I131 HydrophobicContact CD2-CD1 4.12Å; L77-I131 HydrophobicContact CG-CD1 4.28Å; L81-I131 HydrophobicContact CD1-CD1 3.67Å; L81-I131 HydrophobicContact CD1-CG1 4.15Å; L81-I131 HydrophobicContact CD2-CB 4.49Å; L81-I131 HydrophobicContact CD2-CD1 3.98Å; L81-I131 HydrophobicContact CD2-CG1 3.97Å; L81-I131 HydrophobicContact CD2-CG2 3.79Å; L81-I131 HydrophobicContact CG-CD1 4.34Å; I113-I131 HydrophobicContact CG2-CD1 3.45Å; I113-I131 VanDerWaalsContact CG2-CD1 3.45Å; I113-I131 HydrophobicContact CG2-CG1 4.15Å; S117-I131 WeakPolarHBondContact CB-O 3.46Å; S117-I131 PolarHBondContact OG-O 3.22Å; I131-A146 HydrophobicContact CD1-CB 4.27Å; I131-V147 CarbonylContact C-O 3.53Å; I131-V147 WeakPolarHBondContact CA-O 3.23Å; I131-V147 WeakPolarHBondContact CB-O 3.31Å; I131-F167 HydrophobicContact CD1-CD1 4.31Å; I131-F167 HydrophobicContact CG2-CB 3.76Å; I131-F167 HydrophobicContact CG2-CD1 3.92Å; I131-F167 HydrophobicContact CG2-CD2 4.03Å; I131-F167 HydrophobicContact CG2-CE1 4.5Å; I131-F167 HydrophobicContact CG2-CG 3.64Å
132A96Very high90.5Very high0 Ų043.4 Ų43.40%024%0.241CC..EExtended strand (participates in β ladder)trans-128.9139.8167.100000108.8V147 V149 A222 L225A132-V147 PolarHBondContact N-O 2.87Å; A132-V147 PolarHBondContact O-N 3.42Å; A132-V149 HydrophobicContact CB-CG1 3.86Å; A132-A222 HydrophobicContact CB-CB 4.06Å; A132-A222 VanDerWaalsContact CB-O 3.23Å; A132-A222 WeakPolarHBondContact CB-O 3.2Å; A132-L225 HydrophobicContact CB-CB 4.33Å
133S96.1Very high90.3Very high1 Ų141.6 Ų41.61%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-113.9128.9-170.6-167.50000111.9A110 N114 T144 F145 L225A110-S133 WeakPolarHBondContact CA-OG 3.41Å; N114-S133 PolarHBondContact ND2-O 2.92Å; N114-S133 WeakPolarHBondContact OD1-CA 3.48Å; N114-S133 WeakPolarHBondContact OD1-CB 3.4Å; N114-S133 PolarHBondContact OD1-N 2.85Å; S133-T144 WeakPolarHBondContact OG-CG2 3.34Å; S133-F145 CarbonylContact C-O 3.58Å; S133-F145 VanDerWaalsContact CA-O 3.29Å; S133-F145 WeakPolarHBondContact CA-O 3.41Å; S133-L225 WeakPolarHBondContact O-CD1 3.16Å
134V93.3Very high90.3Very high8 Ų840.7 Ų40.75%0.04823%0.225CC..EExtended strand (participates in β ladder)trans-122.4135.7-178.3178.40000108.9T144 F145 Q221 A222 L225V134-T144 WeakPolarHBondContact O-CA 3.36Å; V134-F145 PolarHBondContact N-O 3.39Å; V134-F145 PolarHBondContact O-N 3.11Å; V134-Q221 HydrophobicContact CG1-CB 4Å; V134-Q221 HydrophobicContact CG2-CB 3.77Å; V134-A222 HydrophobicContact CG2-CB 3.96Å; V134-L225 HydrophobicContact CG2-CD1 4.08Å
135C91.6Very high90.3Very high35 Ų3537.4 Ų37.424%0.23619%0.192CC..EExtended strand (participates in β ladder)trans-100.9121.8173.2-168.20000109.6R107 A110 I143R107-C135 HydrophobicContact CG-CB 3.93Å; R107-C135 VanDerWaalsContact CG-SG 3.52Å; A110-C135 HydrophobicContact CB-CB 4.05Å; C135-I143 WeakPolarHBondContact CA-O 3.41Å
136H87.6Confident90.3Very high50 Ų5036.4 Ų36.423%0.23119%0.186CC..EExtended strand (participates in β ladder)trans-126147.6-177.5-163.775.4000111I143 F145 I218H136-I143 PolarHBondContact N-O 2.91Å; H136-I143 PolarHBondContact O-N 2.82Å; H136-F145 HydrophobicContact CB-CD2 4.3Å; H136-F145 HydrophobicContact CB-CE2 4.15Å; H136-I218 HydrophobicContact CB-CG2 4.35Å
137T84.3Confident90.2Very high73 Ų7334 Ų3445%0.44817%0.17SC..EExtended strand (participates in β ladder)trans-97.7122.3178.3-52.80000110.1A141 L142T137-A141 CarbonylContact C-O 3.5Å; T137-A141 WeakPolarHBondContact CA-O 3.49Å; T137-L142 VanDerWaalsContact OG1-CD2 3.24Å; T137-L142 WeakPolarHBondContact OG1-CD2 3.38Å
138I81.4Confident90Very high5 Ų532.9 Ų32.93%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-117109176.6-51.7-173.9000108.3N140 A141 I143 F145 I188 I196I138-N140 VanDerWaalsContact C-N 3.31Å; I138-N140 PolarHBondContact O-N 2.8Å; I138-A141 PolarHBondContact N-O 3.19Å; I138-A141 WeakPolarHBondContact O-CB 3.49Å; I138-A141 PolarHBondContact O-N 2.71Å; I138-I143 HydrophobicContact CB-CD1 4.41Å; I138-I143 HydrophobicContact CD1-CD1 3.83Å; I138-I143 HydrophobicContact CG1-CD1 4.3Å; I138-F145 HydrophobicContact CD1-CE2 4.08Å; I138-F145 HydrophobicContact CD1-CZ 3.75Å; I138-I188 HydrophobicContact CG2-CG2 3.87Å; I138-I196 HydrophobicContact CB-CD1 4.26Å; I138-I196 HydrophobicContact CD1-CD1 3.38Å; I138-I196 HydrophobicContact CD1-CG2 4.31Å; I138-I196 HydrophobicContact CG1-CD1 3.52Å; I138-I196 HydrophobicContact CG2-CD1 3.89Å
139Q75Confident89.9Confident123 Ų12325.1 Ų25.158%0.57514%0.136SC*.THydrogen-bonded Turntrans45.852.5176.3-62-176.4-48.700113A141 N192Q139-A141 VanDerWaalsContact C-N 3.27Å; Q139-A141 PolarHBondContact O-N 3.05Å; Q139-N192 VanDerWaalsContact CD-ND2 3.25Å; Q139-N192 PolarHBondContact NE2-ND2 2.87Å; Q139-N192 PolarHBondContact OE1-ND2 2.96Å
140N75.2Confident89.6Confident141 Ų14128 Ų2875%0.75415%0.153SC*.THydrogen-bonded Turntrans74.6-5.9-176.3-110.638.3000117.3I138I138-N140 VanDerWaalsContact C-N 3.31Å; I138-N140 PolarHBondContact O-N 2.8Å
141A81Confident89.2Confident1 Ų129.5 Ų29.51%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-91.9130.7172.300000110.9T137 I138 Q139 T174 L186 I188T137-A141 CarbonylContact C-O 3.5Å; T137-A141 WeakPolarHBondContact CA-O 3.49Å; I138-A141 PolarHBondContact N-O 3.19Å; I138-A141 WeakPolarHBondContact O-CB 3.49Å; I138-A141 PolarHBondContact O-N 2.71Å; Q139-A141 VanDerWaalsContact C-N 3.27Å; Q139-A141 PolarHBondContact O-N 3.05Å; A141-T174 HydrophobicContact CB-CG2 4.32Å; A141-L186 HydrophobicContact CB-CD1 3.88Å; A141-L186 HydrophobicContact CB-CD2 3.68Å; A141-L186 HydrophobicContact CB-CG 4.16Å; A141-I188 HydrophobicContact CB-CD1 3.99Å
142L87.9Confident88.4Confident33 Ų3333.6 Ų33.617%0.17319%0.185CC..EExtended strand (participates in β ladder)trans-85.5126169.4-77.3165.9000109.3P106 T137 T174P106-L142 HydrophobicContact CB-CB 3.99Å; P106-L142 HydrophobicContact CG-CB 3.8Å; P106-L142 VanDerWaalsContact CG-O 3.3Å; P106-L142 WeakPolarHBondContact CG-O 3.43Å; T137-L142 VanDerWaalsContact OG1-CD2 3.24Å; T137-L142 WeakPolarHBondContact OG1-CD2 3.38Å; L142-T174 VanDerWaalsContact O-CG2 3.24Å; L142-T174 WeakPolarHBondContact O-CG2 3.44Å
143I90.4Very high87.5Confident1 Ų136.1 Ų36.11%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-128.2137.3178.4-61.9173.1000108.7C135 H136 I138 F145 I169 T171 I188C135-I143 WeakPolarHBondContact CA-O 3.41Å; H136-I143 PolarHBondContact N-O 2.91Å; H136-I143 PolarHBondContact O-N 2.82Å; I138-I143 HydrophobicContact CB-CD1 4.41Å; I138-I143 HydrophobicContact CD1-CD1 3.83Å; I138-I143 HydrophobicContact CG1-CD1 4.3Å; I143-F145 HydrophobicContact CB-CE2 3.83Å; I143-F145 HydrophobicContact CB-CZ 4.04Å; I143-F145 HydrophobicContact CG2-CD1 4.46Å; I143-F145 HydrophobicContact CG2-CD2 4.14Å; I143-F145 HydrophobicContact CG2-CE1 3.96Å; I143-F145 HydrophobicContact CG2-CE2 3.58Å; I143-F145 HydrophobicContact CG2-CZ 3.49Å; I143-F145 VanDerWaalsContact CG2-CZ 3.49Å; I143-I169 HydrophobicContact CG2-CG2 3.6Å; I143-T171 HydrophobicContact CD1-CG2 4.22Å; I143-T171 HydrophobicContact CG1-CG2 4.1Å; I143-T171 HydrophobicContact CG2-CG2 4.25Å; I143-I188 HydrophobicContact CD1-CD1 3.34Å
144T93.6Very high86.7Confident0 Ų037.3 Ų37.30%020%0.202CC..EExtended strand (participates in β ladder)trans-102.4127.3175.6-67.10000109.6P106 A110 I113 S133 V134 I169 Y170P106-T144 WeakPolarHBondContact CA-OG1 3.45Å; P106-T144 WeakPolarHBondContact CB-OG1 3.07Å; P106-T144 PolarHBondContact O-OG1 2.83Å; A110-T144 HydrophobicContact CB-CG2 3.68Å; I113-T144 HydrophobicContact CD1-CG2 4.08Å; S133-T144 WeakPolarHBondContact OG-CG2 3.34Å; V134-T144 WeakPolarHBondContact O-CA 3.36Å; T144-I169 CarbonylContact O-C 3.59Å; T144-I169 WeakPolarHBondContact O-CA 3.45Å; T144-Y170 PolarHBondContact N-O 3.48Å; T144-Y170 PolarHBondContact O-N 2.78Å
145F93.6Very high85.9Confident0 Ų043.6 Ų43.60%023%0.226CC..EExtended strand (participates in β ladder)trans-114.2117179.2-63.6-83.5000108.8S133 V134 H136 I138 I143 I166 I169 F193 I196 I197S133-F145 CarbonylContact C-O 3.58Å; S133-F145 VanDerWaalsContact CA-O 3.29Å; S133-F145 WeakPolarHBondContact CA-O 3.41Å; V134-F145 PolarHBondContact N-O 3.39Å; V134-F145 PolarHBondContact O-N 3.11Å; H136-F145 HydrophobicContact CB-CD2 4.3Å; H136-F145 HydrophobicContact CB-CE2 4.15Å; I138-F145 HydrophobicContact CD1-CE2 4.08Å; I138-F145 HydrophobicContact CD1-CZ 3.75Å; I143-F145 HydrophobicContact CB-CE2 3.83Å; I143-F145 HydrophobicContact CB-CZ 4.04Å; I143-F145 HydrophobicContact CG2-CD1 4.46Å; I143-F145 HydrophobicContact CG2-CD2 4.14Å; I143-F145 HydrophobicContact CG2-CE1 3.96Å; I143-F145 HydrophobicContact CG2-CE2 3.58Å; I143-F145 HydrophobicContact CG2-CZ 3.49Å; I143-F145 VanDerWaalsContact CG2-CZ 3.49Å; F145-I166 HydrophobicContact CB-CD1 4.11Å; F145-I166 HydrophobicContact CD1-CD1 4.12Å; F145-I166 HydrophobicContact CG-CD1 4.5Å; F145-I169 HydrophobicContact CD1-CD1 4.16Å; F145-I169 HydrophobicContact CD1-CG1 4.05Å; F145-I169 HydrophobicContact CD1-CG2 4.37Å; F145-I169 HydrophobicContact CE1-CD1 4.1Å; F145-I169 HydrophobicContact CE1-CG1 4.39Å; F145-I169 HydrophobicContact CE1-CG2 4.25Å; F145-F193 AromaticContact CE1-CE2 3.88Å; F145-F193 HydrophobicContact CE1-CE2 3.88Å; F145-F193 HydrophobicContact CE1-CZ 4.49Å; F145-F193 HydrophobicContact CZ-CE2 4.21Å; F145-I196 HydrophobicContact CE2-CG2 4.48Å; F145-I196 HydrophobicContact CZ-CG2 4.34Å; F145-I197 HydrophobicContact CD1-CG2 4.44Å; F145-I197 HydrophobicContact CE1-CG2 3.92Å
146A95.7Very high85Confident0 Ų045.5 Ų45.50%024%0.237CC..EExtended strand (participates in β ladder)trans-89115.1166.400000108.4I113 I131 I166 F167 A168I113-A146 HydrophobicContact CD1-CB 4.37Å; I113-A146 HydrophobicContact CG2-CB 4.24Å; I131-A146 HydrophobicContact CD1-CB 4.27Å; A146-I166 CarbonylContact O-C 3.53Å; A146-F167 HydrophobicContact CB-CB 4.45Å; A146-F167 WeakPolarHBondContact O-CB 3.46Å; A146-F167 PolarHBondContact O-N 2.66Å; A146-A168 HydrophobicContact CB-CB 4.09Å; A146-A168 PolarHBondContact N-O 2.49Å; A146-A168 PolarHBondContact O-N 2.88Å
147V93.9Very high83.7Confident0 Ų050 Ų500%026%0.255CS..EExtended strand (participates in β ladder)trans-96.9130.8178.4179.40000108.5I131 A132 V149 L154 I166 Y219 A222I131-V147 CarbonylContact C-O 3.53Å; I131-V147 WeakPolarHBondContact CA-O 3.23Å; I131-V147 WeakPolarHBondContact CB-O 3.31Å; A132-V147 PolarHBondContact N-O 2.87Å; A132-V147 PolarHBondContact O-N 3.42Å; V147-V149 HydrophobicContact CG1-CG1 4.4Å; V147-V149 PolarHBondContact O-N 2.93Å; V147-L154 HydrophobicContact CG1-CD1 4.11Å; V147-I166 HydrophobicContact CG2-CD1 3.84Å; V147-Y219 HydrophobicContact CG1-CD1 3.75Å; V147-Y219 HydrophobicContact CG1-CE1 4.03Å; V147-Y219 HydrophobicContact CG2-CD1 4.29Å; V147-Y219 HydrophobicContact CG2-CE1 4.44Å; V147-A222 HydrophobicContact CB-CB 3.79Å; V147-A222 HydrophobicContact CG1-CB 4.2Å; V147-A222 HydrophobicContact CG2-CB 3.83Å
148D94.1Very high82.3Confident26 Ų2655.1 Ų55.114%0.13927%0.271CS..EExtended strand (participates in β ladder)trans-74.1102.9166.1176.9-1.1000109.2T150 H151 L154 S165 F167D148-T150 VanDerWaalsContact C-N 3.28Å; D148-T150 PolarHBondContact O-N 3.22Å; D148-T150 WeakPolarHBondContact OD1-CA 3.43Å; D148-T150 WeakPolarHBondContact OD1-CB 3.42Å; D148-T150 PolarHBondContact OD1-N 2.88Å; D148-T150 PolarHBondContact OD1-OG1 2.86Å; D148-H151 HydrophobicContact CB-CB 4.29Å; D148-H151 WeakPolarHBondContact O-CB 3.45Å; D148-H151 PolarHBondContact O-N 3.35Å; D148-H151 PolarHBondContact OD1-N 2.8Å; D148-L154 WeakPolarHBondContact O-CD1 3.34Å; D148-S165 PolarHBondContact N-O 3.24Å; D148-F167 HydrophobicContact CB-CB 4.32Å
149V91.2Very high80.8Confident2 Ų261.3 Ų61.31%0.01230%0.3CS..THydrogen-bonded Turntrans-80.3-9.2-178.3-65.80000113.2T130 A132 V147 H151 Y155 A222 L226T130-V149 HydrophobicContact CG2-CG2 3.9Å; T130-V149 VanDerWaalsContact O-CG2 3.22Å; T130-V149 WeakPolarHBondContact O-CG2 3.47Å; T130-V149 PolarHBondContact O-N 2.97Å; A132-V149 HydrophobicContact CB-CG1 3.86Å; V147-V149 HydrophobicContact CG1-CG1 4.4Å; V147-V149 PolarHBondContact O-N 2.93Å; V149-H151 VanDerWaalsContact C-N 3.34Å; V149-Y155 VanDerWaalsContact O-CE2 3.31Å; V149-Y155 WeakPolarHBondContact O-CE2 3.5Å; V149-Y155 PolarHBondContact O-OH 2.91Å; V149-A222 HydrophobicContact CG1-CB 4.29Å; V149-L226 HydrophobicContact CB-CD2 3.91Å; V149-L226 HydrophobicContact CG2-CB 4.45Å; V149-L226 HydrophobicContact CG2-CD1 3.99Å; V149-L226 HydrophobicContact CG2-CD2 3.72Å; V149-L226 HydrophobicContact CG2-CG 4.25Å
150T89Confident79.6Confident68 Ų6860.7 Ų60.742%0.41731%0.309SS..THydrogen-bonded Turntrans-86.2-10.9172.557.80000112.8D148D148-T150 VanDerWaalsContact C-N 3.28Å; D148-T150 PolarHBondContact O-N 3.22Å; D148-T150 WeakPolarHBondContact OD1-CA 3.43Å; D148-T150 WeakPolarHBondContact OD1-CB 3.42Å; D148-T150 PolarHBondContact OD1-N 2.88Å; D148-T150 PolarHBondContact OD1-OG1 2.86Å
151H86.7Confident78.6Confident53 Ų5356.7 Ų56.725%0.24529%0.293CS..  trans-64.2123-177-166.6-93.1000110.9D148 V149 K153 L154 S165D148-H151 HydrophobicContact CB-CB 4.29Å; D148-H151 WeakPolarHBondContact O-CB 3.45Å; D148-H151 PolarHBondContact O-N 3.35Å; D148-H151 PolarHBondContact OD1-N 2.8Å; V149-H151 VanDerWaalsContact C-N 3.34Å; H151-K153 VanDerWaalsContact CE1-CG 3.42Å; H151-K153 WeakPolarHBondContact CE1-CG 3.32Å; H151-K153 WeakPolarHBondContact ND1-CB 3.37Å; H151-K153 PolarHBondContact ND1-N 2.89Å; H151-K153 PolarHBondContact O-N 3.27Å; H151-L154 PolarHBondContact O-N 2.9Å; H151-L154 VanDerWaalsContact O-N 3.09Å; H151-S165 PolarHBondContact ND1-OG 3.48Å
152P79.8Confident77.4Confident85 Ų8562 Ų6255%0.55232%0.32SS*.G310 helixtrans-61.1-26.7-169.822.2-33.8000113.1L154 Y155 T156P152-L154 PolarHBondContact O-N 2.85Å; P152-Y155 PolarHBondContact O-N 3.44Å; P152-Y155 VanDerWaalsContact O-N 3.13Å; P152-T156 WeakPolarHBondContact O-CG2 3.5Å; P152-T156 PolarHBondContact O-N 3.37Å
153K77.1Confident76.1Confident53 Ų5366.3 Ų66.323%0.2334%0.34CS..G310 helixtrans-64.4-22.8-179.6-62.3-172.8-162169.80113.7H151 Y155 T156 S161 E163H151-K153 VanDerWaalsContact CE1-CG 3.42Å; H151-K153 WeakPolarHBondContact CE1-CG 3.32Å; H151-K153 WeakPolarHBondContact ND1-CB 3.37Å; H151-K153 PolarHBondContact ND1-N 2.89Å; H151-K153 PolarHBondContact O-N 3.27Å; K153-Y155 PolarHBondContact O-N 3.25Å; K153-T156 WeakPolarHBondContact CA-OG1 3.09Å; K153-S161 PolarHBondContact NZ-OG 2.82Å; K153-E163 IonicContact NZ-OE2 2.85Å; K153-E163 PolarHBondContact NZ-OE2 2.88Å
154L77.8Confident74.8Confident27 Ų2768.7 Ų68.714%0.14136%0.356CS..G310 helixtrans-64.9-25.9176.2-69.5173.9000112.6V147 D148 H151 P152 L199 Y219V147-L154 HydrophobicContact CG1-CD1 4.11Å; D148-L154 WeakPolarHBondContact O-CD1 3.34Å; H151-L154 PolarHBondContact O-N 2.9Å; H151-L154 VanDerWaalsContact O-N 3.09Å; P152-L154 PolarHBondContact O-N 2.85Å; L154-L199 HydrophobicContact CD2-CD1 3.78Å; L154-Y219 HydrophobicContact CD2-CD1 3.39Å; L154-Y219 HydrophobicContact CD2-CE1 4Å; L154-Y219 HydrophobicContact CD2-CG 4.04Å
155Y77.3Confident74.2Confident139 Ų13969 Ų6955%0.54536%0.358SS..THydrogen-bonded Turntrans-105.1-18.4-177.8-52.5-78.1000112.7V149 P152 K153 L223V149-Y155 VanDerWaalsContact O-CE2 3.31Å; V149-Y155 WeakPolarHBondContact O-CE2 3.5Å; V149-Y155 PolarHBondContact O-OH 2.91Å; P152-Y155 PolarHBondContact O-N 3.44Å; P152-Y155 VanDerWaalsContact O-N 3.13Å; K153-Y155 PolarHBondContact O-N 3.25Å; Y155-L223 HydrophobicContact CE1-CD2 4.12Å
156T72.1Confident74Confident76 Ų7670.6 Ų70.647%0.46637%0.366SS..  trans-87.5121.4178.164.90000111.7P152 K153 K158P152-T156 WeakPolarHBondContact O-CG2 3.5Å; P152-T156 PolarHBondContact O-N 3.37Å; K153-T156 WeakPolarHBondContact CA-OG1 3.09Å; T156-K158 PolarHBondContact O-N 2.91Å
157K60.1Low73.8Confident144 Ų14472.1 Ų72.163%0.62637%0.373SS*.  trans-64.2-5.7170.3-64.4-172.2173.9-166.20114.4H159K157-H159 PolarHBondContact O-CD2 3Å; K157-H159 PolarHBondContact O-N 3.32Å; K157-H159 PolarHBondContact O-NE2 3.36Å
158K54.5Low73.8Confident180 Ų18073.1 Ų73.178%0.78338%0.381SS*.  trans-82.6102.3-168.2-155.5169.6-176.21770111.1T156 S160T156-K158 PolarHBondContact O-N 2.91Å; K158-S160 PolarHBondContact O-N 3.5Å
159H51.5Low73.8Confident135 Ų13574.8 Ų74.863%0.62539%0.389SS*.  trans-58.525.2-170.1-59-70.1000119.2K157 S202K157-H159 PolarHBondContact O-CD2 3Å; K157-H159 PolarHBondContact O-N 3.32Å; K157-H159 PolarHBondContact O-NE2 3.36Å; H159-S202 PolarHBondContact CE1-OG 3.46Å
160S50.2Low73.9Confident110 Ų11075.3 Ų75.377%0.76939%0.391SS*.  trans-89.2-9.2-156.7-1650000117.7K158K158-S160 PolarHBondContact O-N 3.5Å
161S53.4Low73.7Confident58 Ų5875.3 Ų75.341%0.40639%0.391SS..  trans-159.6136.316580.40000112.4K153 E163K153-S161 PolarHBondContact NZ-OG 2.82Å; S161-E163 PolarHBondContact O-N 3.43Å; S161-E163 PolarHBondContact OG-OE2 3.35Å
162N56Low73.1Confident111 Ų11173.7 Ų73.759%0.59439%0.388SS*.  trans-6919-177.5-91.6-4.8000114.8P164N162-P164 WeakPolarHBondContact O-CD 3.45Å
163E60.7Low72.5Confident124 Ų12474.8 Ų74.858%0.57939%0.386SS*.  trans-77.8118.3-175.1-69.2167.3161.400110.1K153 S161K153-E163 IonicContact NZ-OE2 2.85Å; K153-E163 PolarHBondContact NZ-OE2 2.88Å; S161-E163 PolarHBondContact O-N 3.43Å; S161-E163 PolarHBondContact OG-OE2 3.35Å
164P63.5Low71.2Confident52 Ų5273.7 Ų73.734%0.33838%0.384SS..  trans-69.4141.7-174.930.7-36.4000110.4N162 I166 I197 Y219N162-P164 WeakPolarHBondContact O-CD 3.45Å; P164-I166 HydrophobicContact CB-CB 4.3Å; P164-I166 HydrophobicContact CB-CG1 3.78Å; P164-I166 PolarHBondContact O-N 2.97Å; P164-I197 HydrophobicContact CB-CB 4.06Å; P164-I197 HydrophobicContact CB-CG1 4.35Å; P164-I197 WeakPolarHBondContact CB-O 3.45Å; P164-I197 HydrophobicContact CG-CD1 4.13Å; P164-I197 HydrophobicContact CG-CG1 4.43Å; P164-Y219 WeakPolarHBondContact CB-OH 3.33Å
165S79.4Confident69.7Low6 Ų679.7 Ų79.74%0.04241%0.405CS..  trans-79.633.8173.8-530000111.6D148 H151D148-S165 PolarHBondContact N-O 3.24Å; H151-S165 PolarHBondContact ND1-OG 3.48Å
166I89.5Confident68.2Low34 Ų3474.8 Ų74.817%0.17439%0.391CS..EExtended strand (participates in β ladder)trans-87.8116.5-174.7-61.5-75000108.4F145 A146 V147 P164 I169 I197 I218 Y219F145-I166 HydrophobicContact CB-CD1 4.11Å; F145-I166 HydrophobicContact CD1-CD1 4.12Å; F145-I166 HydrophobicContact CG-CD1 4.5Å; A146-I166 CarbonylContact O-C 3.53Å; V147-I166 HydrophobicContact CG2-CD1 3.84Å; P164-I166 HydrophobicContact CB-CB 4.3Å; P164-I166 HydrophobicContact CB-CG1 3.78Å; P164-I166 PolarHBondContact O-N 2.97Å; I166-I169 HydrophobicContact CG2-CD1 3.8Å; I166-I169 HydrophobicContact CG2-CG1 3.48Å; I166-I169 VanDerWaalsContact CG2-CG1 3.48Å; I166-I197 HydrophobicContact CG1-CB 4.47Å; I166-I197 HydrophobicContact CG1-CG2 4.46Å; I166-I218 HydrophobicContact CD1-CD1 3.94Å; I166-Y219 HydrophobicContact CD1-CE1 4.43Å
167F92.9Very high66.8Low32 Ų3279.5 Ų79.514%0.1441%0.408CS..EExtended strand (participates in β ladder)trans-80.3-43-178.6-171.5-95.7000112.4L77 R80 L81 A129 I131 A146 D148L77-F167 HydrophobicContact CD1-CD1 3.72Å; L77-F167 HydrophobicContact CD1-CE1 3.65Å; L77-F167 HydrophobicContact CG-CE1 4.36Å; R80-F167 HydrophobicContact CB-CE1 4.17Å; R80-F167 HydrophobicContact CB-CZ 3.6Å; L81-F167 HydrophobicContact CD2-CE1 3.84Å; L81-F167 HydrophobicContact CD2-CE2 4.15Å; L81-F167 HydrophobicContact CD2-CZ 3.61Å; L81-F167 HydrophobicContact CG-CE1 3.96Å; L81-F167 HydrophobicContact CG-CZ 3.89Å; A129-F167 HydrophobicContact CB-CD2 4.32Å; A129-F167 HydrophobicContact CB-CE2 4.07Å; I131-F167 HydrophobicContact CD1-CD1 4.31Å; I131-F167 HydrophobicContact CG2-CB 3.76Å; I131-F167 HydrophobicContact CG2-CD1 3.92Å; I131-F167 HydrophobicContact CG2-CD2 4.03Å; I131-F167 HydrophobicContact CG2-CE1 4.5Å; I131-F167 HydrophobicContact CG2-CG 3.64Å; A146-F167 HydrophobicContact CB-CB 4.45Å; A146-F167 WeakPolarHBondContact O-CB 3.46Å; A146-F167 PolarHBondContact O-N 2.66Å; D148-F167 HydrophobicContact CB-CB 4.32Å
168A93.8Very high66.1Low21 Ų2178.9 Ų78.917%0.17441%0.41CS..EExtended strand (participates in β ladder)trans-154.8157.4179.400000111.2L77 A146L77-A168 HydrophobicContact CD1-CB 3.7Å; A146-A168 HydrophobicContact CB-CB 4.09Å; A146-A168 PolarHBondContact N-O 2.49Å; A146-A168 PolarHBondContact O-N 2.88Å
169I92.9Very high65.6Low61 Ų6172.4 Ų72.431%0.31338%0.384SS..EExtended strand (participates in β ladder)trans-132.6138179-55.9-179.9000108.1I143 T144 F145 I166 T171 F193I143-I169 HydrophobicContact CG2-CG2 3.6Å; T144-I169 CarbonylContact O-C 3.59Å; T144-I169 WeakPolarHBondContact O-CA 3.45Å; F145-I169 HydrophobicContact CD1-CD1 4.16Å; F145-I169 HydrophobicContact CD1-CG1 4.05Å; F145-I169 HydrophobicContact CD1-CG2 4.37Å; F145-I169 HydrophobicContact CE1-CD1 4.1Å; F145-I169 HydrophobicContact CE1-CG1 4.39Å; F145-I169 HydrophobicContact CE1-CG2 4.25Å; I166-I169 HydrophobicContact CG2-CD1 3.8Å; I166-I169 HydrophobicContact CG2-CG1 3.48Å; I166-I169 VanDerWaalsContact CG2-CG1 3.48Å; I169-T171 HydrophobicContact CG2-CG2 4.37Å; I169-F193 HydrophobicContact CD1-CE1 4.44Å; I169-F193 HydrophobicContact CD1-CE2 4.04Å; I169-F193 HydrophobicContact CD1-CZ 3.42Å; I169-F193 VanDerWaalsContact CD1-CZ 3.42Å
170Y92.9Very high65.3Low13 Ų1374.4 Ų74.45%0.05139%0.391CS..EExtended strand (participates in β ladder)trans-129.5114.4174.3-177.2-90.7000109.4Y73 N104 V109 T144 G172Y73-Y170 HydrophobicContact CD1-CD2 4.22Å; Y73-Y170 HydrophobicContact CD2-CD2 4.08Å; Y73-Y170 HydrophobicContact CE1-CD2 4.24Å; Y73-Y170 HydrophobicContact CE2-CD2 4.08Å; Y73-Y170 HydrophobicContact CG-CD2 4.15Å; N104-Y170 WeakPolarHBondContact CA-OH 3.32Å; V109-Y170 HydrophobicContact CB-CD1 3.9Å; V109-Y170 HydrophobicContact CB-CE1 4.14Å; V109-Y170 HydrophobicContact CB-CG 4.3Å; V109-Y170 HydrophobicContact CG1-CD1 3.95Å; V109-Y170 HydrophobicContact CG1-CD2 4.23Å; V109-Y170 HydrophobicContact CG1-CE1 4.45Å; V109-Y170 HydrophobicContact CG1-CG 3.82Å; V109-Y170 HydrophobicContact CG2-CD1 3.78Å; V109-Y170 HydrophobicContact CG2-CE1 3.49Å; V109-Y170 VanDerWaalsContact CG2-CE1 3.49Å; V109-Y170 HydrophobicContact CG2-CE2 4.39Å; V109-Y170 HydrophobicContact CG2-CG 4.34Å; T144-Y170 PolarHBondContact N-O 3.48Å; T144-Y170 PolarHBondContact O-N 2.78Å; Y170-G172 VanDerWaalsContact CZ-CA 3.47Å
171T86.2Confident65.3Low68 Ų6876.1 Ų76.142%0.41739%0.39SS..  trans-92.3-19.1177.358.70000112.1I143 I169 T174I143-T171 HydrophobicContact CD1-CG2 4.22Å; I143-T171 HydrophobicContact CG1-CG2 4.1Å; I143-T171 HydrophobicContact CG2-CG2 4.25Å; I169-T171 HydrophobicContact CG2-CG2 4.37Å; T171-T174 WeakPolarHBondContact O-CG2 3.35Å
172G73.9Confident64.9Low18 Ų1879.4 Ų79.419%0.18640%0.403CS..  trans56.4-165.7-175.100000113.9Y170 T174Y170-G172 VanDerWaalsContact CZ-CA 3.47Å; G172-T174 PolarHBondContact O-N 2.94Å
173Q66.1Low64.3Low109 Ų10977.5 Ų77.551%0.50941%0.41SS..  trans-90.784.8166.5-70.6-176.3-4.700108.4Y175Q173-Y175 HydrophobicContact CB-CD2 4.11Å; Q173-Y175 PolarHBondContact O-N 3.14Å
174T50Low63.7Low29 Ų2974.2 Ų74.218%0.17840%0.401CS..  trans-76.434.9175.442.90000113P106 A141 L142 T171 G172 S176 L186P106-T174 HydrophobicContact CG-CG2 4.5Å; A141-T174 HydrophobicContact CB-CG2 4.32Å; L142-T174 VanDerWaalsContact O-CG2 3.24Å; L142-T174 WeakPolarHBondContact O-CG2 3.44Å; T171-T174 WeakPolarHBondContact O-CG2 3.35Å; G172-T174 PolarHBondContact O-N 2.94Å; T174-S176 VanDerWaalsContact C-N 3.25Å; T174-S176 PolarHBondContact O-N 2.84Å; T174-L186 WeakPolarHBondContact OG1-CD1 3.47Å
175Y46.8Very low63.2Low153 Ų15376.3 Ų76.360%0.642%0.417SS*.  trans-71.894.6164.5-60.8-69.9000106.4Q173 E177Q173-Y175 HydrophobicContact CB-CD2 4.11Å; Q173-Y175 PolarHBondContact O-N 3.14Å; Y175-E177 PolarHBondContact O-N 2.83Å
176S45.6Very low62Low36 Ų3680 Ų8025%0.25244%0.435SS..  trans-48.2135.1156.779.10000106.1T174 I178 D179T174-S176 VanDerWaalsContact C-N 3.25Å; T174-S176 PolarHBondContact O-N 2.84Å; S176-I178 PolarHBondContact O-N 3.15Å; S176-D179 PolarHBondContact O-N 2.84Å; S176-D179 VanDerWaalsContact OG-CG 3.3Å; S176-D179 PolarHBondContact OG-N 2.86Å; S176-D179 PolarHBondContact OG-OD2 3.5Å
177E43.7Very low60.7Low176 Ų17685.8 Ų85.882%0.82246%0.462SS*.THydrogen-bonded Turntrans-56.1-15.2180-69.4-179.9152.300112.2Y175Y175-E177 PolarHBondContact O-N 2.83Å
178I44.6Very low59.4Low130 Ų13086 Ų8667%0.66746%0.464SS*.THydrogen-bonded Turntrans-71.7-33.7175.6-53.4172000112.1S176 K180S176-I178 PolarHBondContact O-N 3.15Å; I178-K180 PolarHBondContact O-N 3.13Å
179D43.6Very low58.3Low44 Ų4487.2 Ų87.224%0.23547%0.47CS..THydrogen-bonded Turntrans-82.4-7.8-174.1-69.7-48.2000114.6S176 I181 N182 G183 S184S176-D179 PolarHBondContact O-N 2.84Å; S176-D179 VanDerWaalsContact OG-CG 3.3Å; S176-D179 PolarHBondContact OG-N 2.86Å; S176-D179 PolarHBondContact OG-OD2 3.5Å; D179-I181 PolarHBondContact O-N 3.33Å; D179-I181 VanDerWaalsContact O-N 3.09Å; D179-N182 PolarHBondContact O-N 3.43Å; D179-N182 VanDerWaalsContact O-N 3.09Å; D179-G183 PolarHBondContact O-N 3.2Å; D179-G183 VanDerWaalsContact O-N 3.08Å; D179-S184 PolarHBondContact OD1-OG 3.42Å
180K46.2Very low57.4Low178 Ų17890.4 Ų90.477%0.77449%0.486SS*.THydrogen-bonded Turntrans-58-23.4170.5-78-172179.1176.40112.6I178I178-K180 PolarHBondContact O-N 3.13Å
181I49.2Very low56.5Low145 Ų14594.1 Ų94.174%0.74450%0.504SS*.THydrogen-bonded Turntrans-83.5-30.3179.7-56.5178.1000111.4D179D179-I181 PolarHBondContact O-N 3.33Å; D179-I181 VanDerWaalsContact O-N 3.09Å
182N45.4Very low55.9Low127 Ų12793.5 Ų93.568%0.67950%0.498SS*.THydrogen-bonded Turntrans-116.6-0.7-167.4-72.8-13.1000115.9D179 S184D179-N182 PolarHBondContact O-N 3.43Å; D179-N182 VanDerWaalsContact O-N 3.09Å; N182-S184 PolarHBondContact O-N 3.33Å
183G43.6Very low55.9Low72 Ų7295 Ų9574%0.74250%0.5SS*.  trans57.821.7168.800000114.6D179 S185D179-G183 PolarHBondContact O-N 3.2Å; D179-G183 VanDerWaalsContact O-N 3.08Å; G183-S185 PolarHBondContact O-N 2.94Å
184S47.3Very low56.4Low55 Ų5592.9 Ų92.939%0.38549%0.491SS..  trans-67.6104.6176.134.60000108.3D179 N182 L186D179-S184 PolarHBondContact OD1-OG 3.42Å; N182-S184 PolarHBondContact O-N 3.33Å; S184-L186 PolarHBondContact O-N 3Å
185S52.8Low57.5Low95 Ų9595.2 Ų95.266%0.66450%0.503SS*.  trans-57.9137.1161.357.60000108G183 H187G183-S185 PolarHBondContact O-N 2.94Å; S185-H187 VanDerWaalsContact C-N 3.32Å; S185-H187 PolarHBondContact O-N 3.18Å
186L55Low58.8Low83 Ų8389.9 Ų89.944%0.43548%0.484SS..  trans-6790.9-176.7-155.3106.3000109.4A141 T174 S184 I188A141-L186 HydrophobicContact CB-CD1 3.88Å; A141-L186 HydrophobicContact CB-CD2 3.68Å; A141-L186 HydrophobicContact CB-CG 4.16Å; T174-L186 WeakPolarHBondContact OG1-CD1 3.47Å; S184-L186 PolarHBondContact O-N 3Å; L186-I188 HydrophobicContact CD2-CD1 3.55Å; L186-I188 HydrophobicContact CD2-CG1 3.81Å; L186-I188 HydrophobicContact CG-CG1 4.39Å; L186-I188 PolarHBondContact O-N 3.35Å
187H62.1Low60.2Low157 Ų15789 Ų8973%0.72748%0.476SS*.  trans-9476.6179.8-166.2-80.2000109.4S185 P189S185-H187 VanDerWaalsContact C-N 3.32Å; S185-H187 PolarHBondContact O-N 3.18Å; H187-P189 VanDerWaalsContact O-CD 3.25Å; H187-P189 WeakPolarHBondContact O-CD 3.36Å
188I65.9Low61.6Low37 Ų3784.1 Ų84.119%0.1945%0.453CS..  trans-71.4117.2167.2-60.5169.8000106.6I138 A141 I143 L186 I190 F193I138-I188 HydrophobicContact CG2-CG2 3.87Å; A141-I188 HydrophobicContact CB-CD1 3.99Å; I143-I188 HydrophobicContact CD1-CD1 3.34Å; L186-I188 HydrophobicContact CD2-CD1 3.55Å; L186-I188 HydrophobicContact CD2-CG1 3.81Å; L186-I188 HydrophobicContact CG-CG1 4.39Å; L186-I188 PolarHBondContact O-N 3.35Å; I188-I190 PolarHBondContact O-N 3.44Å; I188-F193 HydrophobicContact CG2-CB 4.13Å
189P70.4Confident62.4Low45 Ų4580.6 Ų80.629%0.29244%0.435SS..  trans-56.5126.3173.5-21.434.1000108.8H187 Q191 N192 F193H187-P189 VanDerWaalsContact O-CD 3.25Å; H187-P189 WeakPolarHBondContact O-CD 3.36Å; P189-Q191 PolarHBondContact O-N 3.19Å; P189-N192 PolarHBondContact O-N 2.88Å; P189-F193 PolarHBondContact O-N 2.85Å
190I74.6Confident63.3Low128 Ų12881.9 Ų81.966%0.65645%0.446SS*.Hα-helixtrans-53.3-32-176.5-163.7162.6000111.6I188 F193 L194I188-I190 PolarHBondContact O-N 3.44Å; I190-F193 WeakPolarHBondContact O-CB 3.46Å; I190-F193 PolarHBondContact O-N 2.88Å; I190-L194 HydrophobicContact CG1-CD1 4.28Å; I190-L194 HydrophobicContact CG1-CG 4.23Å; I190-L194 WeakPolarHBondContact O-CB 3.39Å; I190-L194 WeakPolarHBondContact O-CG 3.35Å; I190-L194 PolarHBondContact O-N 3.01Å
191Q74.1Confident63.8Low91 Ų9181.7 Ų81.743%0.42545%0.445SS..Hα-helixtrans-61.8-45177.4-171.857.342.500112.9P189 F193 L194 D195P189-Q191 PolarHBondContact O-N 3.19Å; Q191-F193 VanDerWaalsContact C-N 3.3Å; Q191-F193 PolarHBondContact O-N 3.13Å; Q191-L194 CarbonylContact O-C 3.59Å; Q191-L194 PolarHBondContact O-N 3.17Å; Q191-D195 VanDerWaalsContact NE2-CG 3.31Å; Q191-D195 PolarHBondContact NE2-OD1 2.81Å; Q191-D195 PolarHBondContact NE2-OD2 3.27Å; Q191-D195 WeakPolarHBondContact O-CB 3.13Å; Q191-D195 PolarHBondContact O-N 3.11Å
192N72.7Confident63.9Low55 Ų5577.1 Ų77.129%0.29443%0.426SS..Hα-helixtrans-64.1-40.8178.5-67.3-7.9000111Q139 P189 D195 I196Q139-N192 VanDerWaalsContact CD-ND2 3.25Å; Q139-N192 PolarHBondContact NE2-ND2 2.87Å; Q139-N192 PolarHBondContact OE1-ND2 2.96Å; P189-N192 PolarHBondContact O-N 2.88Å; N192-D195 PolarHBondContact O-N 2.8Å; N192-I196 WeakPolarHBondContact O-CD1 3.26Å; N192-I196 WeakPolarHBondContact O-CG1 3.47Å; N192-I196 PolarHBondContact O-N 3.11Å; N192-I196 VanDerWaalsContact O-N 3.16Å
193F73.9Confident64Low50 Ų5078.5 Ų78.522%0.21943%0.428CS..Hα-helixtrans-63.1-45.3174.3178.1-94.7000111.4F145 I169 I188 P189 I190 Q191 D195 I196 I197F145-F193 AromaticContact CE1-CE2 3.88Å; F145-F193 HydrophobicContact CE1-CE2 3.88Å; F145-F193 HydrophobicContact CE1-CZ 4.49Å; F145-F193 HydrophobicContact CZ-CE2 4.21Å; I169-F193 HydrophobicContact CD1-CE1 4.44Å; I169-F193 HydrophobicContact CD1-CE2 4.04Å; I169-F193 HydrophobicContact CD1-CZ 3.42Å; I169-F193 VanDerWaalsContact CD1-CZ 3.42Å; I188-F193 HydrophobicContact CG2-CB 4.13Å; P189-F193 PolarHBondContact O-N 2.85Å; I190-F193 WeakPolarHBondContact O-CB 3.46Å; I190-F193 PolarHBondContact O-N 2.88Å; Q191-F193 VanDerWaalsContact C-N 3.3Å; Q191-F193 PolarHBondContact O-N 3.13Å; F193-D195 VanDerWaalsContact C-N 3.3Å; F193-D195 PolarHBondContact O-N 3.28Å; F193-I196 PolarHBondContact O-N 3.15Å; F193-I197 HydrophobicContact CD1-CD1 4.17Å; F193-I197 HydrophobicContact CE1-CD1 3.9Å; F193-I197 HydrophobicContact CE1-CG2 4.27Å; F193-I197 HydrophobicContact CZ-CG2 4.27Å; F193-I197 PolarHBondContact O-N 3.14Å; F193-I197 VanDerWaalsContact O-N 3.09Å
194L76.7Confident64.2Low65 Ų6581 Ų8134%0.3442%0.424SS..Hα-helixtrans-62.2-36.8176.4-72.7178.9000112.2I190 Q191 I196 I197 K198I190-L194 HydrophobicContact CG1-CD1 4.28Å; I190-L194 HydrophobicContact CG1-CG 4.23Å; I190-L194 WeakPolarHBondContact O-CB 3.39Å; I190-L194 WeakPolarHBondContact O-CG 3.35Å; I190-L194 PolarHBondContact O-N 3.01Å; Q191-L194 CarbonylContact O-C 3.59Å; Q191-L194 PolarHBondContact O-N 3.17Å; L194-I196 VanDerWaalsContact C-N 3.33Å; L194-I197 HydrophobicContact CD2-CD1 3.73Å; L194-I197 HydrophobicContact CD2-CG1 4.47Å; L194-I197 WeakPolarHBondContact O-CG1 3.36Å; L194-K198 WeakPolarHBondContact O-CB 3.49Å; L194-K198 WeakPolarHBondContact O-CG 3.3Å; L194-K198 PolarHBondContact O-N 3.43Å
195D73.9Confident63.9Low78 Ų7884.7 Ų84.742%0.41744%0.44SS..Hα-helixtrans-71.4-30179.6-69.1-27.6000112.4Q191 N192 F193 K198Q191-D195 VanDerWaalsContact NE2-CG 3.31Å; Q191-D195 PolarHBondContact NE2-OD1 2.81Å; Q191-D195 PolarHBondContact NE2-OD2 3.27Å; Q191-D195 WeakPolarHBondContact O-CB 3.13Å; Q191-D195 PolarHBondContact O-N 3.11Å; N192-D195 PolarHBondContact O-N 2.8Å; F193-D195 VanDerWaalsContact C-N 3.3Å; F193-D195 PolarHBondContact O-N 3.28Å; D195-K198 IonicContact OD1-NZ 2.85Å; D195-K198 PolarHBondContact OD1-NZ 2.86Å
196I74.4Confident63.3Low41 Ų4186.4 Ų86.421%0.2144%0.441CS..Hα-helixtrans-75.9-40.2175.5-70166.8000111.8I138 F145 N192 F193 L194 K198 I218I138-I196 HydrophobicContact CB-CD1 4.26Å; I138-I196 HydrophobicContact CD1-CD1 3.38Å; I138-I196 HydrophobicContact CD1-CG2 4.31Å; I138-I196 HydrophobicContact CG1-CD1 3.52Å; I138-I196 HydrophobicContact CG2-CD1 3.89Å; F145-I196 HydrophobicContact CE2-CG2 4.48Å; F145-I196 HydrophobicContact CZ-CG2 4.34Å; N192-I196 WeakPolarHBondContact O-CD1 3.26Å; N192-I196 WeakPolarHBondContact O-CG1 3.47Å; N192-I196 PolarHBondContact O-N 3.11Å; N192-I196 VanDerWaalsContact O-N 3.16Å; F193-I196 PolarHBondContact O-N 3.15Å; L194-I196 VanDerWaalsContact C-N 3.33Å; I196-K198 VanDerWaalsContact C-N 3.31Å; I196-I218 HydrophobicContact CG2-CD1 4.26Å; I196-I218 HydrophobicContact CG2-CG2 4.23Å; I196-I218 WeakPolarHBondContact O-CD1 3.49Å
197I74.5Confident62.6Low17 Ų1790.4 Ų90.49%0.08746%0.461CS..Hα-helixtrans-78-16.517870-177.7000112.4F145 P164 I166 F193 L194 L199 Y219F145-I197 HydrophobicContact CD1-CG2 4.44Å; F145-I197 HydrophobicContact CE1-CG2 3.92Å; P164-I197 HydrophobicContact CB-CB 4.06Å; P164-I197 HydrophobicContact CB-CG1 4.35Å; P164-I197 WeakPolarHBondContact CB-O 3.45Å; P164-I197 HydrophobicContact CG-CD1 4.13Å; P164-I197 HydrophobicContact CG-CG1 4.43Å; I166-I197 HydrophobicContact CG1-CB 4.47Å; I166-I197 HydrophobicContact CG1-CG2 4.46Å; F193-I197 HydrophobicContact CD1-CD1 4.17Å; F193-I197 HydrophobicContact CE1-CD1 3.9Å; F193-I197 HydrophobicContact CE1-CG2 4.27Å; F193-I197 HydrophobicContact CZ-CG2 4.27Å; F193-I197 PolarHBondContact O-N 3.14Å; F193-I197 VanDerWaalsContact O-N 3.09Å; L194-I197 HydrophobicContact CD2-CD1 3.73Å; L194-I197 HydrophobicContact CD2-CG1 4.47Å; L194-I197 WeakPolarHBondContact O-CG1 3.36Å; I197-L199 PolarHBondContact O-N 3.41Å; I197-Y219 PolarHBondContact O-OH 3.29Å
198K71.9Confident61.3Low74 Ų7490 Ų9032%0.32247%0.465SS..SBendtrans-60.8131.1175.4-87.9168.5-161.9165.70109.6L194 D195 I196L194-K198 WeakPolarHBondContact O-CB 3.49Å; L194-K198 WeakPolarHBondContact O-CG 3.3Å; L194-K198 PolarHBondContact O-N 3.43Å; D195-K198 IonicContact OD1-NZ 2.85Å; D195-K198 PolarHBondContact OD1-NZ 2.86Å; I196-K198 VanDerWaalsContact C-N 3.31Å
199L62.5Low59.8Low55 Ų5592.4 Ų92.429%0.28849%0.485SS..PPolyproline II helixtrans-58.9133175.2-163.474.5000109L154 I197 K201 Y219L154-L199 HydrophobicContact CD2-CD1 3.78Å; I197-L199 PolarHBondContact O-N 3.41Å; L199-K201 PolarHBondContact O-N 2.66Å; L199-Y219 HydrophobicContact CD1-CD1 4.07Å; L199-Y219 HydrophobicContact CD1-CD2 3.91Å; L199-Y219 HydrophobicContact CD1-CE1 4.06Å; L199-Y219 HydrophobicContact CD1-CE2 3.91Å; L199-Y219 HydrophobicContact CD1-CG 3.97Å
200P61.8Low57.9Low72 Ų7296.1 Ų96.147%0.46851%0.506SS..PPolyproline II helixtrans-56.5131176.821.9-32.7000109.4S202 Y219P200-S202 PolarHBondContact O-N 2.8Å; P200-Y219 VanDerWaalsContact CD-CD2 3.45Å; P200-Y219 HydrophobicContact CG-CD2 4.42Å
201K57.3Low55.9Low174 Ų17498.9 Ų98.976%0.75752%0.517SS*.PPolyproline II helixtrans-71.5124.8169.7-64-178.1-178.7179.10106.9L199 H203L199-K201 PolarHBondContact O-N 2.66Å; K201-H203 PolarHBondContact O-N 3.15Å
202S50.4Low54Low49 Ų49102.3 Ų102.334%0.34353%0.532SS..PPolyproline II helixtrans-59.5121.3171.852.10000109.4H159 P200 D204H159-S202 PolarHBondContact CE1-OG 3.46Å; P200-S202 PolarHBondContact O-N 2.8Å; S202-D204 PolarHBondContact O-N 3.41Å
203H49.3Very low52.2Low155 Ų155105.1 Ų105.172%0.71855%0.552SS**  trans-63.894.6168.8-82-69.6000109.3K201K201-H203 PolarHBondContact O-N 3.15Å
204D46.6Very low50.7Low124 Ų124112.3 Ų112.366%0.66358%0.583SS**  trans-106-3.9154.9-84.2-29.4000111.8S202S202-D204 PolarHBondContact O-N 3.41Å
205D41.2Very low49.4Very low134 Ų134115.6 Ų115.672%0.71760%0.601SS**SBendtrans-123.4139.1172-62.6-45.9000109.9
206D40.6Very low48.8Very low131 Ų131116 Ų11670%0.70160%0.6SS**  trans96.167177.4-50.8-23.2000116.5N208D206-N208 PolarHBondContact O-N 3.23Å
207I39.9Very low49.1Very low166 Ų166115.4 Ų115.485%0.85160%0.6SS**SBendtrans-59.290.3140.9-58.7168.2000106.5
208N35.2Very low49.7Very low150 Ų150114.9 Ų114.980%0.80260%0.597SS**  trans146.776.9159.1-77.1-24000111D206D206-N208 PolarHBondContact O-N 3.23Å
209S34.4Very low50.4Low87 Ų87111.6 Ų111.661%0.60858%0.583SS**  trans-150.3112.4146.253.60000110.5
210T30.8Very low51.6Low122 Ų122113.5 Ų113.575%0.74859%0.59SS**  trans-58.1138.5171.136.10000112.5H212T210-H212 PolarHBondContact O-N 3.42Å
211E33Very low52.9Low186 Ų186112.7 Ų112.787%0.86958%0.58SS**  trans61.927.6146-61.8-173158.500119.8T213E211-T213 PolarHBondContact O-N 2.87Å; E211-T213 VanDerWaalsContact O-N 3.14Å
212H33.7Very low54.5Low164 Ų164104.4 Ų104.476%0.75954%0.544SS*.  trans-76.7102.5153.9-77.7-58.2000108.4T210 K214T210-H212 PolarHBondContact O-N 3.42Å; H212-K214 PolarHBondContact O-N 3.42Å
213T35.1Very low56.5Low114 Ų114104.1 Ų104.170%0.69954%0.538SS*.  trans-25109.716141.60000109.2E211 N215E211-T213 PolarHBondContact O-N 2.87Å; E211-T213 VanDerWaalsContact O-N 3.14Å; T213-N215 PolarHBondContact O-N 3.13Å
214K41.8Very low58.5Low200 Ų200100.3 Ų100.387%0.8752%0.523SS*.  trans-58.381.2-179.1-67.9179177.9-177.10108.9H212 E216H212-K214 PolarHBondContact O-N 3.42Å; K214-E216 PolarHBondContact O-N 2.95Å
215N48.1Very low60.8Low134 Ų13495.6 Ų95.672%0.71750%0.498SS*.  trans-70.195.8164.6-80.8-7.6000104.1T213 S217T213-N215 PolarHBondContact O-N 3.13Å; N215-S217 PolarHBondContact O-N 2.76Å
216E63Low63.2Low86 Ų8690.4 Ų90.440%0.40247%0.47SS..  trans-45.5129.7172.3-69.9175.1167.900108.1K214 Q221K214-E216 PolarHBondContact O-N 2.95Å; E216-Q221 HydrophobicContact CB-CG 3.76Å; E216-Q221 WeakPolarHBondContact OE2-CG 3.19Å; E216-Q221 PolarHBondContact OE2-NE2 2.91Å
217S80Confident65.7Low29 Ų2989 Ų8920%0.20346%0.463CS..  trans-60.4146.7178.9-174.70000109.1N215 Y219 E220 Q221N215-S217 PolarHBondContact O-N 2.76Å; S217-Y219 PolarHBondContact O-N 2.98Å; S217-Y219 WeakPolarHBondContact OG-CD2 3.5Å; S217-E220 WeakPolarHBondContact O-CB 3.24Å; S217-E220 PolarHBondContact O-N 2.84Å; S217-Q221 PolarHBondContact O-N 3.45Å
218I86.6Confident68.2Low6 Ų682.3 Ų82.33%0.03143%0.432CS..Hα-helixtrans-51.7-29.8174.161.2174.8000111.9H136 I166 I196 A222H136-I218 HydrophobicContact CB-CG2 4.35Å; I166-I218 HydrophobicContact CD1-CD1 3.94Å; I196-I218 HydrophobicContact CG2-CD1 4.26Å; I196-I218 HydrophobicContact CG2-CG2 4.23Å; I196-I218 WeakPolarHBondContact O-CD1 3.49Å; I218-A222 VanDerWaalsContact O-CB 3.31Å; I218-A222 WeakPolarHBondContact O-CB 3.25Å; I218-A222 PolarHBondContact O-N 2.75Å
219Y87.3Confident70.9Confident6 Ų675.1 Ų75.12%0.02439%0.394CS..Hα-helixtrans-72.8-41.6177.4-62.6-71.2000112.7V147 L154 P164 I166 I197 L199 P200 S217 Q221 A222 L223V147-Y219 HydrophobicContact CG1-CD1 3.75Å; V147-Y219 HydrophobicContact CG1-CE1 4.03Å; V147-Y219 HydrophobicContact CG2-CD1 4.29Å; V147-Y219 HydrophobicContact CG2-CE1 4.44Å; L154-Y219 HydrophobicContact CD2-CD1 3.39Å; L154-Y219 HydrophobicContact CD2-CE1 4Å; L154-Y219 HydrophobicContact CD2-CG 4.04Å; P164-Y219 WeakPolarHBondContact CB-OH 3.33Å; I166-Y219 HydrophobicContact CD1-CE1 4.43Å; I197-Y219 PolarHBondContact O-OH 3.29Å; L199-Y219 HydrophobicContact CD1-CD1 4.07Å; L199-Y219 HydrophobicContact CD1-CD2 3.91Å; L199-Y219 HydrophobicContact CD1-CE1 4.06Å; L199-Y219 HydrophobicContact CD1-CE2 3.91Å; L199-Y219 HydrophobicContact CD1-CG 3.97Å; P200-Y219 VanDerWaalsContact CD-CD2 3.45Å; P200-Y219 HydrophobicContact CG-CD2 4.42Å; S217-Y219 PolarHBondContact O-N 2.98Å; S217-Y219 WeakPolarHBondContact OG-CD2 3.5Å; Y219-Q221 VanDerWaalsContact C-N 3.35Å; Y219-A222 PolarHBondContact O-N 3.32Å; Y219-L223 VanDerWaalsContact O-CG 3.3Å; Y219-L223 WeakPolarHBondContact O-CG 3.48Å; Y219-L223 PolarHBondContact O-N 3.21Å
220E87.1Confident73.7Confident95 Ų9574.1 Ų74.144%0.44438%0.384SS..Hα-helixtrans-65.2-42.5175.8-175.3177.6-170.200110.4S217 A222 L223 N224S217-E220 WeakPolarHBondContact O-CB 3.24Å; S217-E220 PolarHBondContact O-N 2.84Å; E220-A222 VanDerWaalsContact C-N 3.35Å; E220-A222 PolarHBondContact O-N 2.85Å; E220-L223 PolarHBondContact O-N 3.45Å; E220-N224 WeakPolarHBondContact O-CB 3.39Å; E220-N224 VanDerWaalsContact O-CG 3.22Å; E220-N224 PolarHBondContact O-N 3.29Å; E220-N224 PolarHBondContact O-ND2 3.49Å
221Q89.9Confident76.6Confident54 Ų5471.9 Ų71.925%0.25237%0.373SS..Hα-helixtrans-62.1-42.7174.2-66.6-173.1-19.700111.9V134 E216 S217 Y219 L223 N224 L225V134-Q221 HydrophobicContact CG1-CB 4Å; V134-Q221 HydrophobicContact CG2-CB 3.77Å; E216-Q221 HydrophobicContact CB-CG 3.76Å; E216-Q221 WeakPolarHBondContact OE2-CG 3.19Å; E216-Q221 PolarHBondContact OE2-NE2 2.91Å; S217-Q221 PolarHBondContact O-N 3.45Å; Y219-Q221 VanDerWaalsContact C-N 3.35Å; Q221-L223 VanDerWaalsContact C-N 3.35Å; Q221-L223 PolarHBondContact O-N 3.31Å; Q221-N224 PolarHBondContact O-N 3.27Å; Q221-L225 WeakPolarHBondContact O-CG 3.47Å; Q221-L225 PolarHBondContact O-N 2.8Å
222A91.6Very high79.3Confident0 Ų066 Ų660%035%0.346CS..Hα-helixtrans-63.3-40176.400000112.1A132 V134 V147 V149 I218 Y219 E220 L225 L226A132-A222 HydrophobicContact CB-CB 4.06Å; A132-A222 VanDerWaalsContact CB-O 3.23Å; A132-A222 WeakPolarHBondContact CB-O 3.2Å; V134-A222 HydrophobicContact CG2-CB 3.96Å; V147-A222 HydrophobicContact CB-CB 3.79Å; V147-A222 HydrophobicContact CG1-CB 4.2Å; V147-A222 HydrophobicContact CG2-CB 3.83Å; V149-A222 HydrophobicContact CG1-CB 4.29Å; I218-A222 VanDerWaalsContact O-CB 3.31Å; I218-A222 WeakPolarHBondContact O-CB 3.25Å; I218-A222 PolarHBondContact O-N 2.75Å; Y219-A222 PolarHBondContact O-N 3.32Å; E220-A222 VanDerWaalsContact C-N 3.35Å; E220-A222 PolarHBondContact O-N 2.85Å; A222-L225 PolarHBondContact O-N 2.67Å; A222-L226 PolarHBondContact O-N 3.28Å
223L91.1Very high81.9Confident43 Ų4360.2 Ų60.223%0.22532%0.319CS..Hα-helixtrans-66.3-43.1175.4-71.5170.8000111.8Y155 Y219 E220 Q221 L225 L226 D227Y155-L223 HydrophobicContact CE1-CD2 4.12Å; Y219-L223 VanDerWaalsContact O-CG 3.3Å; Y219-L223 WeakPolarHBondContact O-CG 3.48Å; Y219-L223 PolarHBondContact O-N 3.21Å; E220-L223 PolarHBondContact O-N 3.45Å; Q221-L223 VanDerWaalsContact C-N 3.35Å; Q221-L223 PolarHBondContact O-N 3.31Å; L223-L225 VanDerWaalsContact C-N 3.27Å; L223-L225 PolarHBondContact O-N 3.34Å; L223-L226 WeakPolarHBondContact O-CB 3.21Å; L223-L226 PolarHBondContact O-N 3.32Å; L223-L226 VanDerWaalsContact O-N 3.1Å; L223-D227 PolarHBondContact O-N 2.78Å
224N92.2Very high84.5Confident75 Ų7558.1 Ų58.140%0.40131%0.307SS..Hα-helixtrans-60.6-37.1175-69.4-20.2000112E220 Q221 D227 A228E220-N224 WeakPolarHBondContact O-CB 3.39Å; E220-N224 VanDerWaalsContact O-CG 3.22Å; E220-N224 PolarHBondContact O-N 3.29Å; E220-N224 PolarHBondContact O-ND2 3.49Å; Q221-N224 PolarHBondContact O-N 3.27Å; N224-D227 PolarHBondContact O-N 3.13Å; N224-A228 PolarHBondContact O-N 3.21Å; N224-A228 VanDerWaalsContact O-N 3.1Å
225L93.2Very high86.5Confident26 Ų2651.1 Ų51.114%0.13628%0.283CS..Hα-helixtrans-69.7-37.2174.6-70.8-178.1000112.4L7 W23 A132 S133 V134 Q221 A222 L223 A228 M229L7-L225 HydrophobicContact CD2-CD2 4.16Å; W23-L225 HydrophobicContact CH2-CD2 4.19Å; W23-L225 HydrophobicContact CZ2-CD2 3.88Å; A132-L225 HydrophobicContact CB-CB 4.33Å; S133-L225 WeakPolarHBondContact O-CD1 3.16Å; V134-L225 HydrophobicContact CG2-CD1 4.08Å; Q221-L225 WeakPolarHBondContact O-CG 3.47Å; Q221-L225 PolarHBondContact O-N 2.8Å; A222-L225 PolarHBondContact O-N 2.67Å; L223-L225 VanDerWaalsContact C-N 3.27Å; L223-L225 PolarHBondContact O-N 3.34Å; L225-A228 WeakPolarHBondContact O-CB 3.42Å; L225-A228 PolarHBondContact O-N 2.99Å; L225-M229 WeakPolarHBondContact O-CG 3.27Å; L225-M229 PolarHBondContact O-N 3.33Å
226L92.5Very high87.6Confident24 Ų2446.8 Ų46.813%0.12626%0.261CS..Hα-helixtrans-61.8-45.5171.917766.9000110.8T130 V149 A222 L223 A228 M229 V230T130-L226 HydrophobicContact CG2-CD1 4.08Å; V149-L226 HydrophobicContact CB-CD2 3.91Å; V149-L226 HydrophobicContact CG2-CB 4.45Å; V149-L226 HydrophobicContact CG2-CD1 3.99Å; V149-L226 HydrophobicContact CG2-CD2 3.72Å; V149-L226 HydrophobicContact CG2-CG 4.25Å; A222-L226 PolarHBondContact O-N 3.28Å; L223-L226 WeakPolarHBondContact O-CB 3.21Å; L223-L226 PolarHBondContact O-N 3.32Å; L223-L226 VanDerWaalsContact O-N 3.1Å; L226-A228 PolarHBondContact O-N 2.55Å; L226-M229 WeakPolarHBondContact O-CA 3.26Å; L226-M229 WeakPolarHBondContact O-CB 3.09Å; L226-M229 PolarHBondContact O-N 3.02Å; L226-V230 HydrophobicContact CD1-CG2 4.06Å; L226-V230 HydrophobicContact CG-CG2 4.2Å; L226-V230 WeakPolarHBondContact O-CG2 3.43Å; L226-V230 PolarHBondContact O-N 2.56Å
227D93Very high87.8Confident102 Ų10247.9 Ų47.955%0.54527%0.273SS..Hα-helixtrans-59.1-39.2177.7-72.9-19.2000111.2L223 N224 V230 S231L223-D227 PolarHBondContact O-N 2.78Å; N224-D227 PolarHBondContact O-N 3.13Å; D227-V230 PolarHBondContact O-N 3.13Å; D227-S231 VanDerWaalsContact O-CB 3.24Å; D227-S231 WeakPolarHBondContact O-CB 3.28Å; D227-S231 PolarHBondContact O-N 2.85Å
228A92.4Very high86.6Confident25 Ų2553.8 Ų53.821%0.20730%0.298CS..Hα-helixtrans-63.2-42.3173.100000112.5L7 I9 N224 L225 L226 Q232L7-A228 HydrophobicContact CD2-CB 3.82Å; I9-A228 HydrophobicContact CD1-CB 4.09Å; N224-A228 PolarHBondContact O-N 3.21Å; N224-A228 VanDerWaalsContact O-N 3.1Å; L225-A228 WeakPolarHBondContact O-CB 3.42Å; L225-A228 PolarHBondContact O-N 2.99Å; L226-A228 PolarHBondContact O-N 2.55Å; A228-Q232 WeakPolarHBondContact O-CG 3.29Å; A228-Q232 PolarHBondContact O-N 2.9Å
229M92.9Very high84.7Confident0 Ų063.2 Ų63.20%035%0.346CS..Hα-helixtrans-62.3-49.8175-71.1174.1-174.600111.8W23 N114 L118 L225 L226 S231 Q232 I233W23-M229 HydrophobicContact CE3-CE 4.39Å; W23-M229 HydrophobicContact CH2-CE 3.67Å; W23-M229 HydrophobicContact CH2-CG 4.18Å; W23-M229 HydrophobicContact CZ3-CE 3.55Å; W23-M229 HydrophobicContact CZ3-CG 3.76Å; N114-M229 HydrophobicContact CB-CE 3.52Å; N114-M229 WeakPolarHBondContact O-CE 3.27Å; N114-M229 WeakPolarHBondContact OD1-CE 3.39Å; L118-M229 HydrophobicContact CB-CG 4.36Å; L118-M229 HydrophobicContact CD1-CB 4.11Å; L118-M229 HydrophobicContact CD1-CG 4.41Å; L225-M229 WeakPolarHBondContact O-CG 3.27Å; L225-M229 PolarHBondContact O-N 3.33Å; L226-M229 WeakPolarHBondContact O-CA 3.26Å; L226-M229 WeakPolarHBondContact O-CB 3.09Å; L226-M229 PolarHBondContact O-N 3.02Å; M229-S231 VanDerWaalsContact C-N 3.31Å; M229-S231 PolarHBondContact O-N 3.2Å; M229-Q232 PolarHBondContact O-N 3.43Å; M229-Q232 VanDerWaalsContact O-N 3.14Å; M229-I233 WeakPolarHBondContact O-CG1 3.24Å; M229-I233 PolarHBondContact O-N 2.8Å; M229-I233 VanDerWaalsContact O-N 3.07Å
230V92.1Very high84.5Confident66 Ų6666.1 Ų66.140%0.436%0.362SS..Hα-helixtrans-62.1-40.7-179.4173.20000110.8L226 D227 Q232 I233 V234L226-V230 HydrophobicContact CD1-CG2 4.06Å; L226-V230 HydrophobicContact CG-CG2 4.2Å; L226-V230 WeakPolarHBondContact O-CG2 3.43Å; L226-V230 PolarHBondContact O-N 2.56Å; D227-V230 PolarHBondContact O-N 3.13Å; V230-Q232 VanDerWaalsContact C-N 3.26Å; V230-Q232 PolarHBondContact O-N 2.98Å; V230-I233 PolarHBondContact O-N 3.46Å; V230-V234 HydrophobicContact CG1-CG2 4.28Å; V230-V234 WeakPolarHBondContact O-CG2 3.49Å; V230-V234 PolarHBondContact O-N 3.15Å
231S91.7Very high84.4Confident74 Ų7464.6 Ų64.652%0.51736%0.358SS..Hα-helixtrans-56.5-40.2175.3-175.30000112.3D227 M229 S235D227-S231 VanDerWaalsContact O-CB 3.24Å; D227-S231 WeakPolarHBondContact O-CB 3.28Å; D227-S231 PolarHBondContact O-N 2.85Å; M229-S231 VanDerWaalsContact C-N 3.31Å; M229-S231 PolarHBondContact O-N 3.2Å; S231-S235 WeakPolarHBondContact O-CB 3.33Å; S231-S235 PolarHBondContact O-N 3.38Å; S231-S235 PolarHBondContact O-OG 3.29Å
232Q89.7Confident84.1Confident64 Ų6465.2 Ų65.230%0.29936%0.364SS..Hα-helixtrans-73.7-33.4177.4-65-62.2-1600113.6I9 T11 A228 M229 V230 S235 T236I9-Q232 HydrophobicContact CB-CG 3.96Å; I9-Q232 HydrophobicContact CD1-CG 4.38Å; I9-Q232 HydrophobicContact CG2-CB 4.3Å; I9-Q232 HydrophobicContact CG2-CG 3.8Å; T11-Q232 HydrophobicContact CG2-CB 4.06Å; A228-Q232 WeakPolarHBondContact O-CG 3.29Å; A228-Q232 PolarHBondContact O-N 2.9Å; M229-Q232 PolarHBondContact O-N 3.43Å; M229-Q232 VanDerWaalsContact O-N 3.14Å; V230-Q232 VanDerWaalsContact C-N 3.26Å; V230-Q232 PolarHBondContact O-N 2.98Å; Q232-S235 WeakPolarHBondContact CA-OG 3.14Å; Q232-S235 PolarHBondContact O-OG 3.4Å; Q232-S235 PolarHBondContact OE1-OG 2.69Å; Q232-T236 PolarHBondContact O-N 3.31Å; Q232-T236 PolarHBondContact O-OG1 2.85Å
233I88.8Confident83.7Confident41 Ų4169 Ų6921%0.2139%0.385CS..Hα-helixtrans-64.4-46.9173.3-64.9168.3000109.4L118 L121 L122 M229 V230 T236 V237L118-I233 HydrophobicContact CD1-CD1 3.91Å; L118-I233 HydrophobicContact CD1-CG1 3.76Å; L121-I233 HydrophobicContact CB-CD1 3.8Å; L121-I233 HydrophobicContact CD1-CD1 4.02Å; L122-I233 HydrophobicContact CD2-CG1 3.96Å; L122-I233 HydrophobicContact CG-CG1 4.49Å; M229-I233 WeakPolarHBondContact O-CG1 3.24Å; M229-I233 PolarHBondContact O-N 2.8Å; M229-I233 VanDerWaalsContact O-N 3.07Å; V230-I233 PolarHBondContact O-N 3.46Å; I233-T236 PolarHBondContact O-N 3.01Å; I233-V237 WeakPolarHBondContact O-CG2 3.46Å; I233-V237 PolarHBondContact O-N 2.89Å
234V88.8Confident83.2Confident71 Ų7170.6 Ų70.643%0.4340%0.395SS..Hα-helixtrans-64.6-41.7-179.6173.50000111.5V230 T236 V237 H238V230-V234 HydrophobicContact CG1-CG2 4.28Å; V230-V234 WeakPolarHBondContact O-CG2 3.49Å; V230-V234 PolarHBondContact O-N 3.15Å; V234-T236 PolarHBondContact O-N 3.05Å; V234-V237 PolarHBondContact O-N 3.42Å; V234-H238 PolarHBondContact O-CD2 3.09Å; V234-H238 PolarHBondContact O-N 3.08Å
235S84.2Confident82.6Confident53 Ų5370.3 Ų70.337%0.37140%0.395SS..Hα-helixtrans-61.6-33.2177.7680000112.6S231 Q232S231-S235 WeakPolarHBondContact O-CB 3.33Å; S231-S235 PolarHBondContact O-N 3.38Å; S231-S235 PolarHBondContact O-OG 3.29Å; Q232-S235 WeakPolarHBondContact CA-OG 3.14Å; Q232-S235 PolarHBondContact O-OG 3.4Å; Q232-S235 PolarHBondContact OE1-OG 2.69Å
236T72.2Confident81.8Confident43 Ų4373.5 Ų73.526%0.26441%0.413SS..Hα-helixtrans-76.6-31.7-179.7-540000112.8T11 Q232 I233 V234 H238T11-T236 PolarHBondContact OG1-OG1 2.94Å; Q232-T236 PolarHBondContact O-N 3.31Å; Q232-T236 PolarHBondContact O-OG1 2.85Å; I233-T236 PolarHBondContact O-N 3.01Å; V234-T236 PolarHBondContact O-N 3.05Å; T236-H238 VanDerWaalsContact C-N 3.33Å
237V66.7Low81Confident108 Ų10877.3 Ų77.366%0.65544%0.435SS*.Hα-helixtrans-75.5-21.8179.7173.70000112.6I233 V234 I239I233-V237 WeakPolarHBondContact O-CG2 3.46Å; I233-V237 PolarHBondContact O-N 2.89Å; V234-V237 PolarHBondContact O-N 3.42Å; V237-I239 VanDerWaalsContact C-N 3.28Å; V237-I239 PolarHBondContact O-N 3.09Å
238H55Low80Confident154 Ų15475.3 Ų75.371%0.71343%0.426SS*.THydrogen-bonded Turntrans-86.613.9-178.6-73.8-55.2000115V234 T236V234-H238 PolarHBondContact O-CD2 3.09Å; V234-H238 PolarHBondContact O-N 3.08Å; T236-H238 VanDerWaalsContact C-N 3.33Å
239I45.9Very low78.9Confident204 Ų20479.8 Ų79.8100%1.04645%0.446SS*.  trans-111.70175.6-57.1174.4000109V237V237-I239 VanDerWaalsContact C-N 3.28Å; V237-I239 PolarHBondContact O-N 3.09Å

Retrieved 239 of 239 residues in 50 ms (Link to these results)

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